smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Nc1c(N(Cc2ccccc2)C(=O)/C=C/c2ccccc2[N+](=O)[O-])c(=O)[nH]c(=O)n1Cc1ccccc1 14383289 MBXLFOMFJSYZOI-FOCLMDBBSA-N 497.511 3.322 10 10 JGCE N=C1/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 102485120 KMCQOZZNIRKRAQ-FNSVQNJISA-N 477.502 3.276 10 10 JGCE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)ccc1OCC(=O)O 210458792 XKMCQOACPLAGKI-WQRHYEAKSA-N 472.544 3.403 10 10 JGCE CC(=O)CN(C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)C(C)C 1468421479 ZJYCFILLUMBSRH-OVCLIPMQSA-N 455.399 3.476 10 10 JGCE CC(=O)N1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCSc2nccs2)CC1 1741033124 MYHQWSVTUYLNKT-JOCHJYFZSA-N 494.687 3.016 10 10 JGCE COC(=O)CCCNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1860347593 ZZSUOPOMOYBSNZ-SANMLTNESA-N 474.561 3.248 10 10 JGCE CCC[C@@H](NC(=O)/C=C/c1ccc(OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861934939 WIYGJJBLOPMJBP-CSVHPWFYSA-N 451.567 3.351 10 10 JGCE CCOc1cc(C(=O)N[C@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc(OCC)c1OCC 1862125846 ZKXWCMNRSVVRCZ-LJQANCHMSA-N 499.608 3.358 10 10 JGCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2 1864013493 BXSNCWILPPHTFN-JOCHJYFZSA-N 497.640 3.344 10 10 JGCE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864017671 RINUQVOFXLPKHA-QFIPXVFZSA-N 492.576 3.472 10 10 JGCE O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 1865877092 UTMWRTJWGJTVOE-UHFFFAOYSA-N 459.414 3.384 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)C[C@@H]3CC(=O)c4ccccc43)CC2)cc1 1869033797 SUPSSTCXPCQHFT-YADARESESA-N 495.645 3.342 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)COc3ccccc3)CC2)cc1 1892171518 LKANNTIWKMLLJI-SANMLTNESA-N 473.573 3.150 10 10 JGCE CCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Br 2313556227 RPIGHSTTZZTKND-UHFFFAOYSA-N 459.252 3.243 10 10 JGCE COc1cc(C=C2SC(=S)N(CCC(=O)Nc3ccc(O)cc3)C2=O)cc(OC)c1O 2314827345 CAQARXHHACOCCN-UHFFFAOYSA-N 460.533 3.345 10 10 JGCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccoc3C)C2=O)ccc1O[C@@H](C)C(=O)O 2314935381 ONUWENIDJFSXGS-LBPRGKRZSA-N 476.532 3.385 10 10 JGCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(Cl)cc1)C(=O)NC(C)C 35963225 UDNVEOLIGAZGSZ-NRFANRHFSA-N 459.978 3.423 10 10 JGCE Cc1cc(C(=O)CN2CCN(S(=O)(=O)CCc3ccccc3)CC2)c(C)n1-c1ccccc1 62694425 RUCYZJMPMRDSBO-UHFFFAOYSA-N 465.619 3.467 10 10 JGCE COc1ccc(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)cc1 62694737 KTCBNEFRXNBFFG-UHFFFAOYSA-N 485.581 3.431 10 10 JGCE C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H]3Cc4ccccc4S3)cc2F)C[C@@H](C)O1 918933236 BTVKYTSCMNUKOV-MCFFVMPBSA-N 458.555 3.316 10 10 JGCE CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCC(=O)OC 1084016049 JAWNCIQTHRDHPQ-JYRVWZFOSA-N 492.912 3.261 10 10 JGCE CC[C@@H](NC(=O)C[C@H](C)c1cccc(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868943865 XRQTVLFDYCQHCB-YADARESESA-N 453.583 3.441 10 10 JGCE COc1ccc(N2CCN(C(=O)Cc3nonc3OCCCCOc3ccccc3)CC2)cc1 1872635913 QQGGWANROMNSEC-UHFFFAOYSA-N 466.538 3.208 10 10 JGCE COc1ccc(OC)c(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(Br)c3)C2=O)c1 2296556302 AXLGCSVCKNRFJI-UHFFFAOYSA-N 461.268 3.141 10 10 JGCE COc1ccc(N2CCN(CCCNC(=O)c3ccc4nc(N5CCOCC5)sc4c3)CC2)cc1 8912748 ZIAKCGUJOINKES-UHFFFAOYSA-N 495.649 3.084 10 10 JGCE CN(C)c1ccc([C@H]2CC(c3cccc4ccccc34)=NN2C(=O)CN2C(=O)CNC2=O)cc1 72413670 WWGJJOOVVDZTFA-HSZRJFAPSA-N 455.518 3.135 10 10 JGCE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(N2CCOCC2)c(F)c1 1705588026 SVRNMLMANFKWKI-ZJSXRUAMSA-N 479.600 3.294 10 10 JGCE CC(=O)N1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCSc2nccs2)[C@H](C)C1 1760607375 SKOMOAJHRYQUAD-VGOFRKELSA-N 494.687 3.015 10 10 JGCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1865026303 LXXQGNCRVCDTHT-NRFANRHFSA-N 463.538 3.330 10 10 JGCE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@@H](C)N(CCOC)[C@H](C)C2)n1 1869219141 MGSCTYHYIQHRTI-FGZHOGPDSA-N 482.673 3.310 10 10 JGCE COC(=O)COc1cn(Cc2ccc(C)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870448496 BEMRHUZMLNIYDZ-UHFFFAOYSA-N 491.588 3.088 10 10 JGCE CC(=O)NCCN1C(=O)C(NCCc2cccs2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169087 YIIWDJSTRQVMFX-UHFFFAOYSA-N 476.602 3.204 10 10 JGCE C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 15047618 LFFHLUYRTPSOOW-KWOGSNDASA-N 473.601 3.119 10 10 JGCE COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)NC(=O)C(=O)NCc3ccco3)CC2)cc1 20289402 QAXOVMMDPXUGKF-FDDCHVKYSA-N 482.606 3.034 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cnn(-c4cccc(Cl)c4)c3C)cc2)CC1 1634074467 OHSZKXVLUXSOHI-UHFFFAOYSA-N 451.958 3.433 10 10 JGCE CC(C)N1C[C@@H](NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)CC1=O 1860345093 SRWFLJWABFSCJB-SFHVURJKSA-N 483.572 3.090 10 10 JGCE CCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864019597 MXKQUUJGFQRYGX-OAQYLSRUSA-N 462.550 3.434 10 10 JGCE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cccnc1 1865391235 LFGDXUZLEMRABH-QHCPKHFHSA-N 488.592 3.049 10 10 JGCE CCOc1ccc(/C=C/C(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2C)cc1OC 1869969812 SUFYRLDOTKVFNB-NTUHNPAUSA-N 492.580 3.210 10 10 JGCE C[C@@H]1C[C@@H](NC(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C 2200951903 OFPWLSNNKLFHJD-OIISXLGYSA-N 479.574 3.048 10 10 JGCE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)CCOc2ccc(N)cc2)C1 2205550258 RKBWPCNEGIXMHO-QFIPXVFZSA-N 468.598 3.275 10 10 JGCE CCOC(=O)c1ccc(-c2ccc(C=C3C(=N)N4N=C(S(=O)(=O)CC)SC4=NC3=O)o2)cc1 2297346166 IOWKSQQEQIMWKU-UHFFFAOYSA-N 486.531 3.135 10 10 JGCE O=C(O)CCCNC(=O)CCCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2314831622 ORMCOHLXTKYNAL-UHFFFAOYSA-N 471.398 3.412 10 10 JGCE COc1ccc(C(=O)NN2C(=O)C(=Cc3ccccc3O[C@H](C)C(=O)O)SC2=S)cc1 2314930600 GMSSMFJHRYRKOD-GFCCVEGCSA-N 458.517 3.093 10 10 JGCE Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@H]23)cc1 28763675 ZKMGVGBYVFYTKR-RJGXRXQPSA-N 481.460 3.419 10 10 JGCE Cc1ccc2nc(N3C[C@H](C)O[C@H](C)C3)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(=O)n2c1 33438670 HDKGQUHAUKMPTD-HHAKBXFJSA-N 458.609 3.226 10 10 JGCE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCC(=O)O)C1=O 39836097 MAZPGYJEFZLVDU-SFQUDFHCSA-N 497.554 3.480 10 10 JGCE Cc1nn(-c2ccccc2)c2nc(N(C)CC(=O)NCc3ccc(N4CCOCC4)cc3)sc12 64459880 PADWMXVIDMBBHP-UHFFFAOYSA-N 476.606 3.380 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)c3cc(-c4c(C)noc4NC(C)=O)ccc3C)CC2)cc1 65115862 KSFMBXTZZQZRAO-UHFFFAOYSA-N 484.578 3.436 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(Br)c(C)c4)C3)CC2)cc1 105858643 JIRMHIHYXLPRRC-QGZVFWFLSA-N 472.383 3.468 10 10 JGCE CN1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c2)CC1 586672026 AMAJETRKVIYFSQ-UHFFFAOYSA-N 468.513 3.494 10 10 JGCE NC(=O)CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S 1858592841 ZFFLFZDOSIBJJL-BOFQVRIASA-N 456.545 3.186 10 10 JGCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864013976 KHPGAADPYKGIJE-FQEVSTJZSA-N 466.513 3.417 10 10 JGCE COc1cccc2c1C(=O)N([C@H](C)C(=O)Nc1cccc3c1C(=O)c1ccccc1C3=O)C2=O 1865835568 KEYIMYFBBDMTPS-CYBMUJFWSA-N 454.438 3.094 10 10 JGCE COc1cccc(OC)c1C(=O)N[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867362354 RSRHSAZNGKKMLQ-DENIHFKCSA-N 482.625 3.232 10 10 JGCE CCOC(=O)CCN(C)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2cccnc2)n1 1867999699 AJYXFOCRXUAJMH-UHFFFAOYSA-N 476.581 3.263 10 10 JGCE Cc1cccc(CN2C(=O)NC(=Cc3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)C2=O)c1 2294034536 BPFBXEIHRDSAPH-UHFFFAOYSA-N 464.547 3.143 10 10 JGCE Cc1cc(Br)c(N2C(=O)NC(=O)C(=CNc3ccc(C(=O)O)c(O)c3)C2=O)cc1C 2297534352 NERACJSKGYOKNG-UHFFFAOYSA-N 474.267 3.049 10 10 JGCE CCCCCN1C(=O)/C(=C\c2c(N3CCC(C(N)=O)CC3)nc3ccc(C)cn3c2=O)SC1=S 33437835 GFOVEOFZYIXWGP-QGOAFFKASA-N 499.662 3.096 10 10 JGCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCc4ccccc4)C3=O)c(NCCO)nc12 97464737 LRUUNIRLKXLUSD-XDJHFCHBSA-N 480.615 3.241 10 10 JGCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3ccc(C(F)(F)F)c(C)c3)cc2)CC1 1668581607 ODQCZGKGDCDHBF-UHFFFAOYSA-N 455.502 3.161 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cccc(OC(C)=O)c3)c3ccccc3)CC2)cc1 1862117733 NZJRHIRKNLCCMM-SANMLTNESA-N 487.556 3.440 10 10 JGCE O=C1C(=O)[C@@H]2C=C(I)C=CC2=C2C=CC(I)=C[C@H]12 2087934809 LHAKJAZNEIIEIK-TXEJJXNPSA-N 462.024 3.445 10 10 JGCE C[C@H](CNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)N(C)Cc1ccccc1 2136253939 RQQOVUNHVLMEOB-XLIONFOSSA-N 457.571 3.170 10 10 JGCE CCOc1ccc(-c2ccc(C=C3C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 2297352582 CUISDRIRUBZQII-UHFFFAOYSA-N 496.505 3.162 10 10 JGCE COc1ccc(N2N=C(c3ccccc3)C(=C(C)NCCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 2313682869 MNQGCNSNTNBLJL-UHFFFAOYSA-N 490.585 3.200 10 10 JGCE N=[S@](=O)(O)c1ccc(-c2ccc(C=C3SC(=S)N([C@H](CCC(=O)O)C(=O)O)C3=O)o2)cc1 2314650466 IKGKYFTUUAPWRQ-CYBMUJFWSA-N 496.544 3.344 10 10 JGCE COc1ccc(C2=C(C)C(N3CCC(C(=O)NCc4ccc(N(C)C)cc4)CC3)=NS2(=O)=O)cc1 9642217 JCJCUZPGZOUTPA-UHFFFAOYSA-N 496.633 3.263 10 10 JGCE C/C(NCc1ccc(S(N)(=O)=O)cc1)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 20287981 XYFBKBMJFLRYJY-CJLVFECKSA-N 491.529 3.057 10 10 JGCE CCN(CC)c1ccc([C@@H]2CC(c3c(O)[nH]c(=O)n(-c4cccc(Cl)c4)c3=O)=NN2C(C)=O)cc1 101456240 LACDMPVDBMJEMO-NRFANRHFSA-N 495.967 3.429 10 10 JGCE O=C1c2c([N+](=O)[O-])cc(Br)c(O)c2C(=O)c2c([N+](=O)[O-])cc(Br)c(O)c21 205613582 HMHWNNRAYDSJDZ-UHFFFAOYSA-N 488.000 3.215 10 10 JGCE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864019479 ZSBLXVLEIIUFBZ-LJQANCHMSA-N 452.486 3.027 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCc4ccccc4)cn3CCCO)CC2)cc1 1870691794 OVIIOJSRUKIMJI-UHFFFAOYSA-N 477.605 3.183 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873168190 MDBGSXQKVSKDJW-UHFFFAOYSA-N 488.636 3.392 10 10 JGCE COc1ccc(N2CCN(C(=O)c3ccc(CNS(=O)(=O)c4ccccc4F)cc3)CC2)cc1 1891615839 KZZVPMNYYJFGEL-UHFFFAOYSA-N 483.565 3.275 10 10 JGCE C[C@H](Oc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1)C(=O)O 2294229474 XTAQVVSCZZOVMV-NSHDSACASA-N 475.320 3.132 10 10 JGCE COc1cc(C=C2SC(=S)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1O 2314827775 MEBLVJYMDSQTIY-UHFFFAOYSA-N 475.504 3.158 10 10 JGCE Cc1ccc(NC(=O)[C@@H](C)N2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 2326941551 MSTBLBKRKBQAGM-CQSZACIVSA-N 495.582 3.415 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(C(=O)c4cc5sccc5n4C)C3)CC2)cc1 8604997 XZPIMFMCUYEMHR-SFHVURJKSA-N 466.607 3.449 10 10 JGCE O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 33783562 NLSHNWSUSLXCGU-PTSZVCKJSA-N 483.590 3.225 10 10 JGCE C[N+](C)(C)c1ccc2c(c1)OCCOCCOc1cc([N+](C)(C)C)ccc1OCCOCCO2 33901691 LKAWMAGGEQVICM-UHFFFAOYSA-N 476.614 3.342 10 10 JGCE CCOC(=O)C1CCN(C(=O)CN(C)C(=O)/C=C/c2cc(C)n(-c3ccccc3)c2C)CC1 72081857 HLWPSKRJJRJEFU-VAWYXSNFSA-N 451.567 3.367 10 10 JGCE CCn1c(/C(Cl)=C\c2cnn3ccccc23)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 729644653 ZOZUVGREECRVAU-QGOAFFKASA-N 471.970 3.462 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)cc1 1861955341 VWCGRXVHVKWNES-LHRVCSDGSA-N 498.605 3.203 10 10 JGCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N(CC)CC)[C@H]2c1ccc(O)c(O)c1 1865033464 AJZQKSZIJRZMJR-AWEZNQCLSA-N 454.449 3.286 10 10 JGCE O=C(C[C@H](c1ccccc1)C1CC1)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866725994 AACPGWODJJFBSW-VWNXMTODSA-N 482.536 3.462 10 10 JGCE Cc1ccc2nc(N3CCN(C)CC3)c(C=C3SC(=S)N(CCC(C)C)C3=O)c(=O)n2c1 2040499377 XPDCMZJYBXSKFB-UHFFFAOYSA-N 471.652 3.002 10 10 JGCE Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccc(I)cc3)C2=O)c1C 2297498527 AGHOPZOPZAFSOP-UHFFFAOYSA-N 461.259 3.487 10 10 JGCE COc1ccc(C(=O)NN2C(=O)C(=Cc3cccc(O[C@H](C)C(=O)O)c3)SC2=S)cc1 2314930589 GJNWEEGPQRAWDD-GFCCVEGCSA-N 458.517 3.093 10 10 JGCE CCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 39989923 PTHIILQWAUSZCH-WQRHYEAKSA-N 460.625 3.132 10 10 JGCE O=C(O)CNC(=O)CCCN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S 210724011 XXZKIRYRQGMTCT-CPNJWEJPSA-N 470.572 3.448 10 10 JGCE CC(C)[C@@H](OC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)C(=O)N(C)C 729708100 XJHWZAKMPSDJJR-SCZPIIQISA-N 485.425 3.306 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)Cc3sc(C)cc3Br)cc2)CC1 1616251965 MVPNQQQCBSMWNU-UHFFFAOYSA-N 450.402 3.346 10 10 JGCE COc1cc(N2CCN(S(=O)(=O)c3ccc(OC(C)C)cc3)CC2)cc(OC)c1OC 1661319805 BGKBMYPASHLWIV-UHFFFAOYSA-N 450.557 3.011 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCC(C)C)[nH]c(=Nc4cccc(C)c4C)[nH]3)CC2)cc1 1871590271 RVKNHZNVRJXFTP-UHFFFAOYSA-N 461.614 3.479 10 10 JGCE CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3C(=O)C(=Cc4cccs4)SC3=S)C2=O)cc1 2040565444 BTKKWGUHRLDKCV-OAHLLOKOSA-N 472.569 3.458 10 10 JGCE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)c1ccc(O)c(O)c1 2084907227 JHHLBFBBHBAUEE-UHFFFAOYSA-N 453.536 3.026 10 10 JGCE C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200958459 LWHVHBXOLPBZBZ-NQIIRXRSSA-N 469.582 3.267 10 10 JGCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 2313513069 XGPRCTFXHDJBPN-UHFFFAOYSA-N 492.509 3.438 10 10 JGCE Cc1ccc(C(=O)Oc2ccc(/C=C3\C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)cc2)cc1 15935599 ZWBILOGSQSODHD-QCYUAWMTSA-N 475.530 3.123 10 10 JGCE COc1ccc(N2CCN(c3ncnc(Nc4ccc5c(c4)OCCO5)c3[N+](=O)[O-])CC2)cc1 40611180 SNWGZHDWANDDHQ-UHFFFAOYSA-N 464.482 3.235 10 10 JGCE O=C(/C=C\c1ccc(N2CCOCC2)cc1)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 209940434 RLNXZLHLMIIOFP-ZLGCMHNTSA-N 455.986 3.380 10 10 JGCE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(N(C)C)cc1C)[C@H]1CCS(=O)(=O)C1 1705562705 ICFMLNZRMXJOAI-NRFANRHFSA-N 499.040 3.043 10 10 JGCE COc1ccc(N2CCN(C(=O)CCN=c3nc(O)c(-c4ccc(Cl)cc4)c(C)[nH]3)CC2)cc1 1858543008 CMXBTWTXXUXWQJ-UHFFFAOYSA-N 481.984 3.392 10 10 JGCE CC[C@@](C)(NC(=O)COc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862244543 MBHGISNSQKQZIT-XMMPIXPASA-N 459.974 3.361 10 10 JGCE CCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864010280 RFBRGQWNJLLXJW-NRFANRHFSA-N 463.538 3.378 10 10 JGCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCOc3ccccc31)[C@@H]2c1ccc(O)c(O)c1 1865035455 UGKVVBZSNPYAGM-OAQYLSRUSA-N 476.533 3.387 10 10 JGCE Cc1ccc(C(=O)CCC(=O)N[C@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(C)c1 1867089863 DJKMEDMLMHBCJA-HSZRJFAPSA-N 498.535 3.158 10 10 JGCE COc1cc(OC)cc(C(=O)N[C@@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867383290 MFPUHALKMFBKHI-UQBPGWFLSA-N 482.625 3.232 10 10 JGCE CCOC(=O)CCOc1cn(Cc2ccco2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870452895 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N=C1/C(=C\c2ccc(OCCOc3ccccc3)cc2)C(=O)N=C2SC(N3CCOCC3)=NN12 20356601 BENYRLKKEQQREF-QFDSEOLMSA-N 477.546 3.053 10 10 JGCE COc1ccc(N2CCN(C(=O)Cn3c(=O)oc4ccc(C(=O)Nc5ccccc5)cc43)CC2)cc1 33307453 YQWUFPOSMDLETO-UHFFFAOYSA-N 486.528 3.204 10 10 JGCE COCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccco2)C1=O 33436559 BREUAZHWVBMIBC-FOWTUZBSSA-N 456.549 3.137 10 10 JGCE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccc(OC)c(F)c3)c3ccco3)CC2)cc1 38619284 SXCFXOFFHPYOLX-JOCHJYFZSA-N 489.569 3.278 10 10 JGCE O=C(NC1CCN(C(=O)CC(F)(F)F)CC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 727034780 SGHDTSPWPDHCQX-UHFFFAOYSA-N 478.462 3.499 10 10 JGCE CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN2CCOCC2)C1=O 1873164871 WXNWXFCRXSEFQM-UHFFFAOYSA-N 464.610 3.286 10 10 JGCE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)c1cccc(O)c1O 2084906942 FBBYBHUSHGFZIP-UHFFFAOYSA-N 453.536 3.026 10 10 JGCE CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC[C@H]1CO 2178862747 CJKBUQYGFJVLGA-JXFKEZNVSA-N 476.618 3.274 10 10 JGCE COC(=O)Cn1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc21 2294095096 IYMXYJQKDJOLRZ-UHFFFAOYSA-N 482.290 3.243 10 10 JGCE COc1ccc(C=C2C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1CN1C(=O)c2ccccc2C1=O 2296935803 GWQJAUQKXHYYOU-UHFFFAOYSA-N 499.454 3.297 10 10 JGCE Cc1cccc(NS(=O)(=O)c2ccc(NC=C3C(=O)NC(=O)N(c4ccccc4)C3=O)cc2)c1 2297329638 YSRZXFCROLBQOM-UHFFFAOYSA-N 476.514 3.375 10 10 JGCE COc1ccc(C=C2SC(=S)N([C@H]3CC(=O)N(c4ccccc4)C3=O)C2=O)cc1OC 2314832547 JCOIOEBKNVFJCV-HNNXBMFYSA-N 454.529 3.237 10 10 JGCE CCC(=CC(=O)N[C@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)cc1 2329511675 AUVRLTUMPGCRLF-LJQANCHMSA-N 451.567 3.351 10 10 JGCE CCN(CC)c1ccc(CN(C(=O)COc2ccc(OC)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 54421767 KJUPZQDBGQHIIC-OAQYLSRUSA-N 460.596 3.136 10 10 JGCE COc1cccc(/C=C2/SC(=S)N(CCNC(=O)c3ccc(OC)c(OC)c3)C2=O)c1 62049815 SYNLNKAHSWTXOA-XDHOZWIPSA-N 458.561 3.344 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)N[C@H](C)c3cccc(N4CCCC4=O)c3)CC2)cc1 726243438 HPONQXLHGDMBMK-HXUWFJFHSA-N 465.598 3.004 10 10 JGCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3c(F)cccc3Cl)cc2)cc1 1858956739 PBJPWAWOVXWQOJ-UHFFFAOYSA-N 477.901 3.469 10 10 JGCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccccc3Cl)cc2)cc1 1859005266 MAAVJQPLGIPNIX-UHFFFAOYSA-N 473.938 3.372 10 10 JGCE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@H]1C)=C(N)O2 1864009408 GSVDYXTUPVOHQI-SRVWHDFXSA-N 475.549 3.376 10 10 JGCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2 1864014180 OXSJPLFHSDJUFV-NRFANRHFSA-N 478.549 3.286 10 10 JGCE CCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2C)[C@H]1c1ccc(O)c(O)c1 1865034551 ZEDFUOWEZJSKSO-LJQANCHMSA-N 464.522 3.070 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)Cc3nc(-c4ccccc4OC)oc3C)CC2)cc1 1868649369 QUVWNKSGECJJKM-GOSISDBHSA-N 492.576 3.063 10 10 JGCE CC[C@](C)(NC(=O)Cc1ccc2nc(O)c(C)cc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868815633 QRQMPTKTPXQZMG-NDEPHWFRSA-N 490.604 3.434 10 10 JGCE CCOCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(C)cc2C)[nH]1 1871603298 CTWIJSPWSBCQIP-UHFFFAOYSA-N 491.640 3.250 10 10 JGCE O=C(N[C@]1(c2cc(I)ccc2O)C[C@H]1C(=O)O)OCc1ccccc1 1952774891 LZOZEKVAGUQTQC-KSSFIOAISA-N 453.232 3.223 10 10 JGCE CCOc1ccc(N2C(=O)C(=Cc3ccc(O[C@@H](C)C(=O)O)c(OCC)c3)C(=O)NC2=S)cc1 2297347478 VNXULTMADYZUBU-AWEZNQCLSA-N 484.530 3.167 10 10 JGCE COC(=O)CN1C(=S)N(C)C(=O)C1=Cc1cc(C)n(-c2ccc(Br)cc2)c1C 2297365804 KQSZTPQEIJOXIC-UHFFFAOYSA-N 462.369 3.429 10 10 JGCE COc1ccc(N2CCN(c3ccnc(SCC(=O)NCc4ccc(F)cc4)n3)CC2)cc1 33309958 JFYBHOVOPGSEIF-UHFFFAOYSA-N 467.570 3.359 10 10 JGCE COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3nnc(C)s3)C2=O)cc1OC 33552937 FPKOCZQOPKLAJV-NTEUORMPSA-N 450.567 3.094 10 10 JGCE O=C(Cc1ccccc1)NN1C(=O)/C(=C\c2cn[nH]c2-c2cccc([N+](=O)[O-])c2)SC1=S 35516405 PQVKXOMKZKZBJW-GZTJUZNOSA-N 465.516 3.460 10 10 JGCE COCCCNC(=O)Cn1cc(/C=C2\C(=O)N(Cc3ccccc3)C(=O)N=C2O)c2ccccc21 59109471 GECJRFVLQDUZJM-STZFKDTASA-N 474.517 3.296 10 10 JGCE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NCc1ccc(N2CCOCC2)cc1 389227678 RKHPKYSNYLKACP-UHFFFAOYSA-N 464.607 3.031 10 10 JGCE CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3csc(C)n3)n2Cc2ccc(N(C)C)c(F)c2)C1 1722756876 ORUPRYURKBRJLC-IBGZPJMESA-N 485.633 3.192 10 10 JGCE CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862287114 HHUXZCFKAOBRLP-NRFANRHFSA-N 454.527 3.159 10 10 JGCE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCOc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864016329 MLOYMRWXSAPETQ-QFIPXVFZSA-N 498.539 3.388 10 10 JGCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1C[C@H](C)O[C@H](C)C1)[C@@H]2c1ccc(O)c(O)c1 1865033958 LTXUGAGCEOAIRP-BFQNTYOBSA-N 496.486 3.054 10 10 JGCE COc1ccc(N2CCN(c3cc(N4CCOCC4(C)C)nc(-c4cccnc4)n3)CC2)cc1 1869359266 BAXQONHERWKYJK-UHFFFAOYSA-N 460.582 3.489 10 10 JGCE CN(CC(=O)NCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)CC1CCCCC1 2040500814 OHAKCPVNECMWEU-UHFFFAOYSA-N 475.636 3.245 10 10 JGCE CC(C)(C)OC(=O)NC[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CCO1 2106882064 ALBBAUJDWGMZHR-MRXNPFEDSA-N 462.591 3.292 10 10 JGCE CCOC(=O)CN1C(=O)C(=C2SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21 2296390119 OOVHEKFLCXJDMH-UHFFFAOYSA-N 452.557 3.410 10 10 JGCE COc1ccc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O 2296576778 BEDQUUBBDQKKCL-UHFFFAOYSA-N 481.464 3.158 10 10 JGCE Cc1cc(C(=O)CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(C)n1-c1ccccc1 62694397 PIKALUMEHONVCL-UHFFFAOYSA-N 451.592 3.424 10 10 JGCE COCCCN1C(=O)/C(=C\c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)SC1=S 102862898 CVRGFCXIJMSVAM-NBVRZTHBSA-N 490.651 3.468 10 10 JGCE CN(C)c1ccc([C@@H]2N[C@](C(=O)O)(c3ccccc3)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]32)cc1 248085438 WJLXKQHXXRFTDG-IQXSCUCBSA-N 461.562 3.311 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)CC2)cc1 742939428 DUDRHSPBWWSZRX-OYRHEFFESA-N 499.631 3.069 10 10 JGCE COCCN(Cc1ccc(C)cc1C)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 746218653 HKLVUUIQKRGVMB-UHFFFAOYSA-N 454.615 3.292 10 10 JGCE COc1ccc(C(=O)NCC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1[N+](=O)[O-] 746427532 XSBFTAZVLVJHIO-UHFFFAOYSA-N 450.495 3.100 10 10 JGCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCc1ccc(F)cc1)[C@H]2c1ccc(O)c(O)c1 1864010302 RLSQKRGWBKFBGI-FQEVSTJZSA-N 452.486 3.163 10 10 JGCE CCOC(=O)c1c(NC(=O)[C@H](N)CCCNC(=N)N)sc(C)c1-c1ccc(Cl)cc1 1866115423 HFITWYSHAUTDJR-CQSZACIVSA-N 451.980 3.083 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C[C@H](c3ccc4c(c3)OCCO4)C3CC3)CC2)cc1 1868689951 ZLLJQVQGVMWLBO-DVECYGJZSA-N 493.604 3.204 10 10 JGCE COCCn1c(C)cc(C=C2SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c1C 2296976830 IFHYPFSDNAXDTQ-UHFFFAOYSA-N 482.606 3.136 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc(-c5cccs5)no4)C3)CC2)cc1 31056564 IIAPLJUIBLZXNE-SFHVURJKSA-N 467.595 3.368 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(c4nc5ncccc5n5cccc45)C3)CC2)cc1 33018920 HZEFGQQOVSWCSU-FQEVSTJZSA-N 470.577 3.456 10 10 JGCE COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCCC(=O)O)cc3)SC2=S)cc1 210414959 GYDAVXKKOPQXCB-ATVHPVEESA-N 458.517 3.095 10 10 JGCE Cc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@](C(=O)O)(c1ccccc1)N[C@H]2c1ccc(N(C)C)cc1 248057001 OVKZTGYOZWHPCN-IMBSWCNGSA-N 469.541 3.491 10 10 JGCE CC(C)(C)N1C(=O)[C@@H]2[C@H](c3cc(Br)ccc3O)N[C@@](C(=O)O)(c3ccccc3)[C@@H]2C1=O 248260323 VXVJLYXMEJHIAW-ORQYLMBXSA-N 487.350 3.179 10 10 JGCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H](CN4CCCCCC4)C3)cc2)C1 728746642 FTOLLZDTHLHTKO-PKTZIBPZSA-N 455.647 3.186 10 10 JGCE CC(C)(NC(=O)c1cc(-c2ccncc2)[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867162633 GDMZIYNVHWBMTB-UHFFFAOYSA-N 479.496 3.394 10 10 JGCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3ccc5c(c3)OCO5)n4C)CC2)cc1 1873650524 NTGCLFQTXCQMKF-UHFFFAOYSA-N 486.532 3.285 10 10 JGCE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OCC(=O)O)C2=O)c1 2294095055 GPSLJTONNUCHHO-UHFFFAOYSA-N 473.279 3.196 10 10 JGCE CCOC(=O)Cn1cc(C=C2C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)c2ccccc21 2294253368 IHGFMUMGPINTLT-UHFFFAOYSA-N 463.515 3.044 10 10 JGCE CN1CCN(c2ccc(C=C3C(=O)NC(=O)N(c4cccc5ccccc45)C3=O)cc2[N+](=O)[O-])CC1 2313547994 IJABERUWMQMJFO-UHFFFAOYSA-N 485.500 3.166 10 10 JGCE O=C(CN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S)Nc1nccs1 2314827352 CDZTXZFJMLBJOV-UHFFFAOYSA-N 456.368 3.451 10 10 JGCE COc1cc(C=C2SC(=S)N([C@@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc(OC)c1OC 2318683255 ANAJJZPXCLIAPT-HNNXBMFYSA-N 475.544 3.315 10 10 JGCE CCCCn1c(N)c(N(Cc2ccccc2)C(=O)/C=C/c2ccccc2[N+](=O)[O-])c(=O)[nH]c1=O 14625380 IKEBWPKRHYBWBK-BUHFOSPRSA-N 463.494 3.074 10 10 JGCE COCCN(C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H]1c1ccccc1OC)C(=O)COC 34740627 WMUJUZOPCDMJGR-WIOPSUGQSA-N 469.626 3.098 10 10 JGCE COCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCCc2ccccc2)SC1=S 40066546 YIALDDXZJBENLD-UYRXBGFRSA-N 468.604 3.068 10 10 JGCE CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@@](CC1CCCCC1)(C(=O)O)N[C@H]2c1cccc(OC)c1O 248206736 BHPLYKVHYKOKPK-ZDQHKECQSA-N 458.555 3.240 10 10 JGCE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C[C@@H](O)CN1C(=O)c2ccccc2C1=O 731036429 KMVXRVSVHFAFAX-LJQANCHMSA-N 465.550 3.121 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)[C@H](NC(=O)c3ccccc3)c3ccccc3)CC2)cc1 742920268 IEVPLLKHQGGVJP-AREMUKBSSA-N 472.589 3.105 10 10 JGCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3ccc4ccnc(Cl)c4c3)cc2)CC1 1211513623 ZUZAOBQCCSUFNR-UHFFFAOYSA-N 458.971 3.035 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)CC3)cc2)CC1 1447706753 DMAIDFTZORIIRI-NRFANRHFSA-N 458.603 3.009 10 10 JGCE CCCOc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862064895 VUABBITVHZBPHH-DEOSSOPVSA-N 451.567 3.437 10 10 JGCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864007030 DMAGQYMLDIHENH-IBGZPJMESA-N 452.898 3.219 10 10 JGCE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864010566 NTTNWDKNXCUUHM-RBZFPXEDSA-N 498.967 3.081 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cc(C4CC4)on3)c3ccccc3)CC2)cc1 1868975281 XSMZSMBYPRQLNZ-DEOSSOPVSA-N 460.534 3.381 10 10 JGCE CCc1ccccc1N=c1[nH]c(N2CCN(c3ccc(OC)cc3)CC2)nc(=NCc2ccccn2)[nH]1 1871558619 PERIOVWZHVDFGP-UHFFFAOYSA-N 496.619 3.364 10 10 JGCE CCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCCOC 1875219696 NDQNCIHUYSAOPA-UHFFFAOYSA-N 466.586 3.261 10 10 JGCE COc1ccc(N2CCN(C(=O)C=Cc3ccc(S(=O)(=O)NCc4ccco4)cc3)CC2)cc1 2042446232 GVVORBIXDYZBNN-UHFFFAOYSA-N 481.574 3.129 10 10 JGCE N=[S@](=O)(O)c1ccc(-c2ccc(C=C3SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)o2)cc1 2053467508 KOTHBZNIJDYYPY-LBPRGKRZSA-N 484.602 3.214 10 10 JGCE CCc1ccccc1-n1c(C)cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c1C 2297346317 VFQGEVLGVOKPOX-UHFFFAOYSA-N 455.565 3.278 10 10 JGCE O=C1/C(=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c2ccccc2N1Cc1ccc(F)cc1 1251649 DZJQHJKGXTXINW-AMGRQBIBSA-N 488.587 3.131 10 10 JGCE Cc1cc(CCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(C)n1-c1ccccc1 11085441 MXOGAMPKDHEXHE-UHFFFAOYSA-N 467.591 3.088 10 10 JGCE CCCCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 39991300 VWQNLZOEBLZVLZ-GBBOCIJVSA-N 460.625 3.273 10 10 JGCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864009609 CAXBJQSJWOEJRE-OAQYLSRUSA-N 478.549 3.002 10 10 JGCE Cc1cc2nc(C(=O)N[C@@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc(C3CC3)n2n1 1867169004 HHHUQHQZZGILMS-HNNXBMFYSA-N 493.523 3.448 10 10 JGCE CC(=O)Oc1cccc(C(=O)N[C@H](C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867291506 NGFIUDOFPUAXFN-CLOONOSVSA-N 480.609 3.140 10 10 JGCE CCN(CC)CCCN1C(=O)C(NCCN(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164611 JOSTWIXNHSITBH-UHFFFAOYSA-N 465.642 3.057 10 10 JGCE CC[C@@H](CO)Nc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C2CCCC2)C1=O 2040498628 NLCNGTPQVSWNSO-AWEZNQCLSA-N 458.609 3.330 10 10 JGCE CN(C)C(=O)c1nn(Cc2cc(F)ccc2O)c(C(F)(F)F)c1I 2079231046 VHQXINDDERXBKP-UHFFFAOYSA-N 457.165 3.101 10 10 JGCE CCc1nn([C@H](c2ccc(OC)cc2O)C2CCC2)c(I)c1C(N)=O 2079979645 SJPGTPVORBRXJO-INIZCTEOSA-N 455.296 3.253 10 10 JGCE COc1ccc(N2CC[C@@H](NC(=O)c3ccc4c(=O)n(-c5ccccc5)c(O)nc4c3)C2)cc1 2080511873 HQLFKXHQGZWBNY-GOSISDBHSA-N 456.502 3.109 10 10 JGCE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(O)c(I)c1 2294095676 YCGWIEXOQPJPHC-UHFFFAOYSA-N 468.634 3.317 10 10 JGCE Cc1cccc(C)c1NC(=O)CN1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2296714187 FNXMESCNNDLUFG-UHFFFAOYSA-N 495.582 3.335 10 10 JGCE COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccc(F)cc1 2297344983 DQIPCGOCKFQGOB-UHFFFAOYSA-N 488.522 3.035 10 10 JGCE Cc1ccc2nc(N3C[C@H](C)O[C@H](C)C3)c(C=C3SC(=S)N(C(C)C)C3=O)c(=O)n2c1 2314400000 HDKGQUHAUKMPTD-GASCZTMLSA-N 458.609 3.226 10 10 JGCE CC1CCN(C(=O)CCC(=O)N2CCc3cc(S(=O)(=O)Nc4ccc5c(c4)OCO5)ccc32)CC1 35399007 VUGGRRHRAXEGRI-UHFFFAOYSA-N 499.589 3.144 10 10 JGCE O=C(CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)N1CCN(CCc2ccccn2)CC1 38645439 WUJDYXIDPZUJSQ-HKWRFOASSA-N 487.050 3.323 10 10 JGCE CC(=O)N(C)C1CCN(c2nnc(C(C)C)n2Cc2ccc(N3CCSCC3)cc2)CC1 1705952750 MYJMPTCUWPQKQZ-UHFFFAOYSA-N 456.660 3.450 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@@H]3CCCN(Cc4cccc(Cl)c4)C3)CC2)cc1 1862003950 KTFAKDNSCQCLCQ-RBBKRZOGSA-N 499.055 3.414 10 10 JGCE CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1864011066 DHRBSPRLZCJGJP-QFIPXVFZSA-N 496.539 3.028 10 10 JGCE CCCc1nn(C)c2c1[C@H](c1cccs1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865322819 ONUAJRDVLOHCRV-QFIPXVFZSA-N 493.633 3.486 10 10 JGCE COc1ccc(C=C2SC(=S)N(CC(=O)OCC(=O)Nc3ccc(F)cc3F)C2=O)cc1 2040467207 ZLUZNENFUMZKAM-UHFFFAOYSA-N 478.498 3.357 10 10 JGCE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)Cc1ccc(N)cc1 2084914220 ICZWUHLJPGWBRZ-UHFFFAOYSA-N 450.580 3.126 10 10 JGCE CC(C)(C)OC(=O)NCC1(O)CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC1 2163118763 LEXIRDBJADUPMR-UHFFFAOYSA-N 476.618 3.418 10 10 JGCE Cc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccccc1F 2297468254 KMPKKINBHCFTBA-UHFFFAOYSA-N 494.552 3.101 10 10 JGCE C[C@H](C(=O)NCCC(=O)O)N1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 15047904 UKKVEXXHTSLTRZ-JPVKTXQWSA-N 470.572 3.446 10 10 JGCE CCn1nc(C)c2ccnc(N3CCC(C(=O)N4CCN(c5ccc(OC)cc5)CC4)CC3)c21 33299107 JZUIFOQPYKBVQU-UHFFFAOYSA-N 462.598 3.333 10 10 JGCE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Oc1ccc(OC(=O)[C@@]34CC[C@@](C)(C(=O)C3=O)C4(C)C)cc1)C(=O)C2=O 33514264 GKKADBPLOBHBFP-KXSOJQAOSA-N 494.540 3.426 10 10 JGCE O=C(O)CCc1sc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)nc1-c1cccs1 1858070103 HHANPWUBWMNCJZ-UHFFFAOYSA-N 491.572 3.343 10 10 JGCE CC[C@@](C)(NC(=O)c1cc(-c2ccc(F)cc2)n(C)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861885021 MIIXMRUWILMJAC-HHHXNRCGSA-N 493.583 3.482 10 10 JGCE COc1ccc(N2CCN(C(=O)c3ccc(CN4C(=O)c5cccc(OC)c5C4=O)cc3)CC2)cc1 1865845689 LOARDZLZXCIWNB-UHFFFAOYSA-N 485.540 3.462 10 10 JGCE Cc1ccc(C(=O)CN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 2326945096 HGKPAGJGGFIJGQ-UHFFFAOYSA-N 466.540 3.271 10 10 JGCE COc1ccc(N2C(=O)/C(=C3/C(=O)N(CN4CCN(C)CC4)c4ccccc43)SC2=S)cc1 20220169 QLHFDQHNJOXJHC-MRCUWXFGSA-N 480.615 3.023 10 10 JGCE O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1CCCC(=O)N(CCO)c1ccccc1 33436436 UOWNLIFLLZTHNZ-XSFVSMFZSA-N 470.572 3.422 10 10 JGCE CCC1=NN2C(=N)/C(=C/c3ccc(OCc4cc(=O)n5nc(C)sc5n4)cc3)C(=O)N=C2S1 96484430 YKYAFWLDGAXOFL-UJNQTBGZSA-N 479.547 3.068 10 10 JGCE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)C(=O)N(CCc3ccccc3)C4=O)CC2)cc1 104673544 GTTLJIDANPXMGW-UHFFFAOYSA-N 469.541 3.496 10 10 JGCE COc1ccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 526311368 AFYYJQOXFOYGIT-QHCPKHFHSA-N 479.558 3.466 10 10 JGCE C[C@@H]1CN(c2ccc(CNC(=O)NC3CCN(C(=O)CC(F)(F)F)CC3)cc2F)C[C@@H](C)O1 727034125 MGSUUNWGIPPYHV-HUUCEWRRSA-N 474.499 3.182 10 10 JGCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)/C=C/c3cccc(F)c3)cc2)cc1 1858960199 LRZCSDGJRCTGMB-AWNIVKPZSA-N 469.494 3.215 10 10 JGCE CC(C)C[C@@H](C(=O)N[C@H](c1ccc(N(C)C)cc1)c1nccn1C)N1C(=O)c2ccccc2C1=O 1865897524 MVUVJMRTJMBRGL-XZOQPEGZSA-N 473.577 3.403 10 10 JGCE COCCN1C(=O)C(Nc2ccccc2S(C)(=O)=O)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420941 ZFFNFCDEETWLKD-UHFFFAOYSA-N 493.585 3.336 10 10 JGCE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@H]1[C@@H](N)CCCN1C(=O)OC(C)(C)C 1952779446 MVDFNUUPBXFLQY-FRQCXROJSA-N 451.564 3.260 10 10 JGCE CC(C)C[C@@H](C(=O)O)N1C(=O)C[C@H](N2C(=O)C(=CC=Cc3ccccc3)SC2=S)C1=O 2297460516 WVLJUXXGVUCSBV-HOTGVXAUSA-N 458.561 3.071 10 10 JGCE CCC[C@@H](NC(=O)C=Cc1ccc(C(=O)OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2331336899 IILZQIDDTUSTEE-XMMPIXPASA-N 479.577 3.129 10 10 JGCE O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 226507394 WJHWBWAJIUWKAC-PWRODBHTSA-N 468.421 3.290 10 10 JGCE CC(=O)N1CCC(Cn2c(C(C)C)nnc2N(C)Cc2ccc(N3CCOCC3)cc2)CC1 1760586901 VTYNXHOAAXYXCP-UHFFFAOYSA-N 454.619 3.133 10 10 JGCE CN(C)c1ccc([C@@H](NC(=O)c2cccc3c(-c4cnn(C)c4)[nH]nc23)c2nccn2C)cc1 1866137537 ZOCJLDLHKJMLEL-JOCHJYFZSA-N 454.538 3.282 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCc4ccco4)[nH]c(=Nc4cccc(OC)c4)[nH]3)CC2)cc1 1871666842 LVZNXSSWOXLZSQ-UHFFFAOYSA-N 487.564 3.008 10 10 JGCE COCCN1C(=O)C(=Cc2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2296541934 PXAZYCDKDNZZPM-HZPDHXFCSA-N 472.636 3.333 10 10 JGCE O=C(COc1ccc(Br)cc1)NN1C(=O)C(=Cc2ccccc2O)SC1=S 2297497702 NQKWHTLCBMECKA-UHFFFAOYSA-N 465.350 3.466 10 10 JGCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3CCCCC3)nc12 2314413853 JDKFWVKSNHTTJE-INIZCTEOSA-N 470.620 3.373 10 10 JGCE CCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccc(N(C)C)cc4)C3)ccc21 21938162 IVHKCHVROBTRIT-OAQYLSRUSA-N 468.623 3.444 10 10 JGCE CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H]2c4ccccc4O[C@@](C)(N=3)[C@@H]2C(C)=O)cc1 39826527 GFMIYTDRYBVXHA-SIIWADCASA-N 461.587 3.121 10 10 JGCE CN(C)c1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CN2C(=O)CNC2=O)cc1 72413702 NQYAQBDAYLDTBR-HSZRJFAPSA-N 455.518 3.135 10 10 JGCE CC(=O)N[C@@H](C(=O)NCc1cccc(Br)c1O)c1cccc(Br)c1 1297439746 IZJMHBVFAATXDJ-OAHLLOKOSA-N 456.134 3.411 10 10 JGCE COc1cc(N2CCN(C(=O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)CC2)cc(OC)c1OC 1857944561 JUMNMNMOVSLIEE-NRFANRHFSA-N 495.576 3.072 10 10 JGCE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2 1864008321 IEBBUXCIOZHVEI-UWJYYQICSA-N 496.951 3.235 10 10 JGCE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2 1864009348 FWDVXBUTIIBGBY-JOCHJYFZSA-N 488.548 3.146 10 10 JGCE CCc1ccccc1N=c1[nH]c(N2CCN(c3ccc(OC)cc3)CC2)nc(=NCC(C)C)[nH]1 1871556401 AGLSEUWBYCICBI-UHFFFAOYSA-N 461.614 3.425 10 10 JGCE CC(C)(C)OC(=O)NCCN1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC1 2163129402 XLNJXMPCYCWSEH-UHFFFAOYSA-N 475.634 3.209 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4cccc(C)c4)cc3)C(=N)N21 2297345257 GMYDHFCUTQCLIK-UHFFFAOYSA-N 498.586 3.464 10 10 JGCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccoc3C)C2=O)ccc1OCCC(=O)O 2314935277 OLRRGWSYVRUVPA-UHFFFAOYSA-N 476.532 3.386 10 10 JGCE CC(C)(C)N(CCO)C(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 12496292 KZLXJWHKKKGGPY-GXDHUFHOSA-N 457.415 3.270 10 10 JGCE CCOc1ccc(/C=C2\SC(=S)N(CCC(=O)NCCCCCC(=O)O)C2=O)cc1OC 35656027 HASOREJKTOPEMV-JXAWBTAJSA-N 480.608 3.446 10 10 JGCE COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccccc1C 96459798 OJNPLOFRNINXCA-ONVPTEKUSA-N 484.559 3.204 10 10 JGCE CCOc1cc(/C=C2/SC(=S)N(CCCCCC(=O)NCCC(=O)O)C2=O)ccc1O 210750801 DBOLWNMZDJTBRK-GHRIWEEISA-N 466.581 3.143 10 10 JGCE CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3C[C@@H]3c3cc4c(cc3OCC)C[C@H](C)O4)nc12 730650908 HXCQMGIXCMVHSB-FDQGKXFDSA-N 481.505 3.181 10 10 JGCE Cc1cc(C(=O)COC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)c(C)n1-c1ccc2c(c1)OCO2 784387967 HFTPZBJXQFQYSC-KDURUIRLSA-N 480.517 3.114 10 10 JGCE COc1ccc(N2CCN(C(=O)CNC(=O)CCCOc3ccc4ccccc4c3)CC2)cc1 1862222021 XRVMVLMPKWFKRU-UHFFFAOYSA-N 461.562 3.472 10 10 JGCE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864008237 GMAQKYSZXYVTIA-OAQYLSRUSA-N 498.967 3.481 10 10 JGCE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864019308 IJQIISNMSAEXLD-JOCHJYFZSA-N 492.576 3.141 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)C(C)C)CC2)cc1 1869007604 POKNBDWMSJNLLX-DEOSSOPVSA-N 492.620 3.052 10 10 JGCE COc1ccc(N2CCN(c3ncnc4c3ccc(=O)n4-c3cccc(N(C)C)c3)CC2)cc1 1873534596 MFCSVOMCWDBUAL-UHFFFAOYSA-N 456.550 3.182 10 10 JGCE COc1cc(C=C2SC(=S)N(CC(=O)NCCc3ccccc3)C2=O)cc(OC)c1OC 2296881763 ZOZCSCYGFRFGCT-UHFFFAOYSA-N 472.588 3.273 10 10 JGCE COc1cc(C=C2SC(=S)N([C@@H](C)C(=O)NCc3ccccc3)C2=O)cc(OC)c1O 2314836559 GRRQZNBDHVDSAH-ZDUSSCGKSA-N 458.561 3.316 10 10 JGCE CC[C@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)c1)C(=O)O 2314932803 YWVAFXALEICISB-INIZCTEOSA-N 487.515 3.383 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1 2332910645 ZFEBEOGKRBYBJT-ZCNNSNEGSA-N 499.564 3.107 10 10 JGCE CCOC(=O)c1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)NC3=O)cc2OC)cc1 15056061 YILVZWNMARQAFI-WQRHYEAKSA-N 472.544 3.378 10 10 JGCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1cccs1 254611753 GFGFGQPNPQCFFK-QFIPXVFZSA-N 497.642 3.412 10 10 JGCE CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCC(=O)O 1084166392 ZPXLWRVMILMQHL-GHXNOFRVSA-N 478.885 3.173 10 10 JGCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)/C=C/c3ccccc3)cc2)cc1 1859007643 JXIXRCDXYPSZJZ-OVCLIPMQSA-N 465.531 3.118 10 10 JGCE C[C@@H]1CCCC[C@@H]1NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864015048 IQRIIEANXDZRMI-GMXABZIVSA-N 466.460 3.240 10 10 JGCE CCCOc1cn(CCN(CC)CC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870657358 FYRPPVUZMLHNHX-UHFFFAOYSA-N 456.631 3.310 10 10 JGCE COc1ccccc1CN1C(=O)N[C@H](CCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1=O 1874017554 RNESWGDNXWGOBD-OAQYLSRUSA-N 497.507 3.310 10 10 JGCE CN(C)c1ccc(CNC(=O)c2cc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)cc1 8611891 JDNWBVYQBKDOQM-UHFFFAOYSA-N 454.596 3.349 10 10 JGCE aggregator CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1 213149594 JQANOCJKSGAZDZ-WJDWOHSUSA-N 467.528 3.335 10 10 JGCE CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I 1083980758 WRWDQMMIBDMGCT-ZROIWOOFSA-N 480.233 3.495 10 10 JGCE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(CN4C[C@@H](C)O[C@H](C)C4)cc3)c2)CC1 1538709299 SVYSDLMSYOEHGV-WOJBJXKFSA-N 450.583 3.217 10 10 JGCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4cc(OC)ccc4OC)cn3)CC2)cc1 1858431303 DLVIECOHYGQKDT-UHFFFAOYSA-N 484.578 3.235 10 10 JGCE COC(=O)c1cc(NC(=O)CNCc2cc(Cl)cc(Br)c2O)cc(C(=O)OC)c1 1860721062 FCMSLIGQGLPJDJ-UHFFFAOYSA-N 485.718 3.110 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 1861920169 QEKIFMJRCXZSCA-RUZDIDTESA-N 488.544 3.293 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 1862291156 GZYRWNLMFYGIGC-FQEVSTJZSA-N 472.929 3.210 10 10 JGCE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864010692 ASKNLCVOTQGSEQ-QFIPXVFZSA-N 496.539 3.026 10 10 JGCE COc1ccc(OCC(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2C(C)(C)C)cc1 1869970330 IVQHDOWUADBKIV-UHFFFAOYSA-N 494.596 3.394 10 10 JGCE CC1CCN(C(=O)Cn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)CC1 2313631508 PDUUBJVVACXEDG-UHFFFAOYSA-N 474.517 3.155 10 10 JGCE COc1ccccc1C=C1SC(=S)N(N[C@@H]2OC(=O)c3c2ccc(OC)c3OC)C1=O 2314600060 ADSSETRKWAWYOL-GOSISDBHSA-N 458.517 3.287 10 10 JGCE COC(=O)c1ccc(-c2ccc(C=C3SC(=S)N([C@H](CCC(=O)O)C(=O)O)C3=O)o2)cc1 2314650624 ROIMMXLXSAFYLR-CQSZACIVSA-N 475.500 3.252 10 10 JGCE COC(=O)c1cnn2c(O)cc(COc3cc(C)c4c(C)nn(-c5ccc(C)cc5)c4n3)nc12 45995502 DOVKUFRPNIZWAM-UHFFFAOYSA-N 458.478 3.460 10 10 JGCE COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OC(=O)/C=C1\SC(=O)NC1=O 110072366 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CN1CCN(c2ccc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2[N+](=O)[O-])CC1 1866056168 ZWSDABYVAROHSR-SANMLTNESA-N 494.640 3.370 10 10 JGCE CCC[C@@H](NC(=O)CCCc1ccc2c(c1)OCCO2)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868730429 JVJNPGMJOIBXTK-XMMPIXPASA-N 495.620 3.423 10 10 JGCE CCCCN(C(=O)C=Cc1c(C(=O)OCC)c(C)n(CC)c1C)c1c(O)nc(=O)n(CCC)c1N 2052147243 FUXKOENHVVBYLV-UHFFFAOYSA-N 487.601 3.403 10 10 JGCE COc1cc(N2CCCC2)c(OC)cc1C=C1C(=O)NC(=S)N(c2ccccc2F)C1=O 2293783258 UKNOJMVMGLXJQA-UHFFFAOYSA-N 455.511 3.274 10 10 JGCE CCOc1cc(C=C2C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)ccc1O[C@@H](C)C(=O)O 2294204780 AHDPRHTVVRYTSC-HNNXBMFYSA-N 468.531 3.385 10 10 JGCE COc1ccc(C=C2SC(=S)N(CCC(=O)N(CCO)c3ccccc3)C2=O)cc1OC 2296881553 NXPWCDPTKZLZOM-UHFFFAOYSA-N 472.588 3.321 10 10 JGCE Cc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c2C)c(C)c1 2297346344 XOOJVVMGJLWCIB-UHFFFAOYSA-N 455.565 3.332 10 10 JGCE COc1ccc(N2C(=O)C(=C3C(=O)N(CN4CCN(C)CC4)c4ccccc43)SC2=S)cc1 2297616205 QLHFDQHNJOXJHC-UHFFFAOYSA-N 480.615 3.023 10 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481.549 3.155 10 10 JGCE CCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871519728 BFUDCSVOEBEXTO-UHFFFAOYSA-N 492.584 3.305 10 10 JGCE O=C(C=Cc1ccc(O)c(O)c1C=Cc1ccc(O)c(O)c1)O[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 1903847891 YMGFTDKNIWPMGF-QHCPKHFHSA-N 494.452 3.343 10 10 JGCE CC1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)CC1 2053493179 ANMXAIKGHWJNJF-INIZCTEOSA-N 470.620 3.311 10 10 JGCE Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(C=C3SC(=S)N(C)C3=O)c(=O)n2c1 2296547621 NCHSQQACYSYAPK-UHFFFAOYSA-N 495.605 3.300 10 10 JGCE C[C@H](NC(=O)CN1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S)C(=O)O 2314827522 GVQDAWULXZBFEW-AWEZNQCLSA-N 456.545 3.056 10 10 JGCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1O[C@H](C)C(=O)O 2314934222 GLECLIDQLRPDJX-CYBMUJFWSA-N 472.544 3.483 10 10 JGCE CCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4cc(OC)ccc4OC)n3)cc21 11857686 PAFOCUBBNQJTKK-UHFFFAOYSA-N 475.548 3.373 10 10 JGCE COc1ccc(N2CCN([C@H](CNC(=O)C(=O)Nc3ccccc3F)c3ccco3)CC2)cc1 38619583 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CN(C)c1ccc(CNCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)cc1 1860708792 YNBOIOAMSWAARX-UHFFFAOYSA-N 489.001 3.115 10 10 JGCE COCCCn1cc(OCCOC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870539418 LKGDWNFAEYTQEC-UHFFFAOYSA-N 473.614 3.019 10 10 JGCE CCC(=O)Nc1nc(C)c(S(=O)(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1 1871342459 JIKHARMKDNMQSY-UHFFFAOYSA-N 455.517 3.376 10 10 JGCE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccccn3)ncnc21 1875202959 CMUBNELTQNOFMW-UHFFFAOYSA-N 471.565 3.429 10 10 JGCE COc1ccc(Br)c(CN=c2nc(CCNC(=O)OC(C)(C)C)[nH]s2)c1O 2238239012 DWGROAYRPFRYTE-UHFFFAOYSA-N 459.366 3.116 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O[C@H]1CCN(Cc2ccccc2)C1 2272119606 RDAJJGFCKIHECP-PMACEKPBSA-N 456.539 3.351 10 10 JGCE COc1ccc(OC)c(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OC)C2=O)c1 2313507721 UMTREGARSHQSJV-UHFFFAOYSA-N 461.268 3.141 10 10 JGCE C[C@@H]1CN(c2ccc(CNC(=O)NCc3ccc(OCCN(C)C)cc3)cc2F)C[C@@H](C)O1 918204985 DVEWXDYKVBLZBV-RTBURBONSA-N 458.578 3.379 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CCCN3Cc3ccc(Cl)cc3)cc2)CC1 1634075021 YPDVIWIRESTTKU-XMMPIXPASA-N 455.002 3.289 10 10 JGCE CN(C)CCCCNC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1873865001 BLNXPOCRVXDIMH-SANMLTNESA-N 459.594 3.246 10 10 JGCE Cc1ccc2nc(N3CCOCC3)c(C=C3SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 2053515720 HFCOJAPYNVMCAA-UHFFFAOYSA-N 492.626 3.283 10 10 JGCE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2106842646 AJVJXLSNJILRGQ-KGLIPLIRSA-N 456.509 3.455 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 2200967659 PMEVYPQDYVAIPO-UPCLLVRISA-N 479.574 3.049 10 10 JGCE COC(=O)CCCN1C(=O)C(=Cc2ccc(OCC(=O)N3CCCCC3)cc2)SC1=S 2314761082 PEJWGBCHUMCNJP-UHFFFAOYSA-N 462.593 3.232 10 10 JGCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3C)C2=O)ccc1OCCC(=O)O 2314934024 XQVGOOCSCPEJKB-UHFFFAOYSA-N 472.544 3.403 10 10 JGCE CC(C)c1ccc(/C=C2/SC(=S)N(CCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 103040672 QWJWNRYWUGXSAX-YPOUMIDOSA-N 466.650 3.047 10 10 JGCE C[C@H](NC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1)C(=O)O 586622885 LZAGUKLQHCJRHA-ZDUSSCGKSA-N 457.442 3.309 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccc(OC(C)=O)cc3)c3ccccc3)CC2)cc1 1862066355 LESXNGWUINIULT-SANMLTNESA-N 487.556 3.440 10 10 JGCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2ccccn2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864007474 NSCWELDBDWXBAO-HSZRJFAPSA-N 499.527 3.007 10 10 JGCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864014320 RWHVJIJVGGUNKC-FQEVSTJZSA-N 466.513 3.417 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)C(C)C)CC2)cc1 1869007605 POKNBDWMSJNLLX-XMMPIXPASA-N 492.620 3.052 10 10 JGCE CCN(CC)CCN1C(=O)C(NC[C@@H]2CCCO2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166122 CZTVRKHXQUHUQJ-QHCPKHFHSA-N 464.610 3.284 10 10 JGCE CCOC(=O)c1ccc(NC=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1 2297358330 HNBJEUKMTOOBDX-UHFFFAOYSA-N 474.336 3.370 10 10 JGCE COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1cc(C(=O)OC)ccc1C(=O)OC 2313682894 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CN(C)c1ccc([C@@H]2N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]23)cc1 248207814 BUOYHMCJXVIIDO-FZVPRWPTSA-N 488.588 3.344 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)Nc3cc4c(cc3Cl)OCCCO4)CC2)cc1 743286840 BWACYCGNOOPXLW-UHFFFAOYSA-N 460.962 3.454 10 10 JGCE CCN1C(=O)Cc2cc(-c3csc(NS(=O)(=O)c4ccc5nc(O)oc5c4)n3)ccc21 1859573177 CADXWAXSPIUXRX-UHFFFAOYSA-N 456.505 3.367 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(Cl)s4)C3)CC2)cc1 1891856617 AXJZLAQAOOQRDZ-MRXNPFEDSA-N 484.043 3.160 10 10 JGCE COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)SCC(=O)N2C(C)C)cc1 1891961823 DOESKLWXHWQLOV-DQEYMECFSA-N 483.634 3.446 10 10 JGCE CCCCN(C(=O)/C=C/c1c(C)nn(-c2ccc(F)cc2)c1C)c1c(N)n(CCC)c(=O)[nH]c1=O 14823008 DGFNOXJOFYIZTK-OUKQBFOZSA-N 482.560 3.317 10 10 JGCE CCCn1c(NCc2ccccc2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 40066783 BPEMHYHJCUSKKN-ZDLGFXPLSA-N 482.587 3.336 10 10 JGCE CC(=O)c1cccc(OCc2cc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)no2)c1 1355124008 RYECFUKBXUOBCW-UHFFFAOYSA-N 453.470 3.362 10 10 JGCE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCC(C)C)[C@@H]2c1ccc(O)c(O)c1 1864017663 RBNUZEJHGZVNJX-HXUWFJFHSA-N 478.549 3.457 10 10 JGCE COc1ccccc1C(=O)N[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867902514 VMBDLOXAPQRHHA-AUSIDOKSSA-N 452.599 3.223 10 10 JGCE C[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]1NC(=O)C(F)(F)F 2106844164 PLYRSKCSGBFFFN-GUYCJALGSA-N 456.509 3.455 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C(c3ccccc3)c3ccccc3)CC2)cc1 8611449 VZFPQIHZNNTKEV-UHFFFAOYSA-N 493.629 3.095 10 10 JGCE CN(C)c1ccc(/C=C/CN2CC(=O)N(CC3CCOCC3)C[C@H](OCc3ccncc3)C2)cc1 14733416 SGWFXSWBAQBWIM-XDXJASTBSA-N 478.637 3.317 10 10 JGCE Cc1cccc(N2C(=O)/C(=C3/C(=O)N(CN4CCN(C)CC4)c4ccccc43)SC2=S)c1 20408156 JSRLRSSBENJWTQ-MRCUWXFGSA-N 464.616 3.323 10 10 JGCE COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3c[n+](N(C)C)no3)c2C#N)cc1 106048453 IWYBXADKYPZERR-UHFFFAOYSA-O 487.565 3.500 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cn(-c4ccc(Cl)c(C)c4)c(=O)cc3O)CC2)cc1 1870130459 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1864010513 VAEISFXCQKGOLT-QHCPKHFHSA-N 483.528 3.040 10 10 JGCE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864019745 PZIKYPZNGLLAEM-QFIPXVFZSA-N 474.561 3.495 10 10 JGCE CC(C)CN1C(=O)c2ccc(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)cc2C1=O 1865877860 RVVQUYWEYUBDNY-QFIPXVFZSA-N 459.550 3.258 10 10 JGCE COc1cccc([C@H](C)CC(=O)N[C@@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 1867110524 JAKFOXRXJIMJBH-MWTRTKDXSA-N 486.524 3.080 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccc(Cl)n3)CC2)cc1 1868580168 ZKFNTMMLQNRVCZ-HSZRJFAPSA-N 478.980 3.434 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCCC(C)C)[nH]c(=Nc4ccc5c[nH]nc5c4)[nH]3)CC2)cc1 1871703107 HSNXFHHMEYVVNO-UHFFFAOYSA-N 487.612 3.129 10 10 JGCE CCOC(=O)N1CCC(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CC)C2=O)CC1 1873162425 UXKNKUVYAYPYFA-UHFFFAOYSA-N 464.566 3.404 10 10 JGCE CC(=O)NCCN1C(=O)C(NCc2ccccc2F)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167273 ZDHIUBJXSLMUJJ-UHFFFAOYSA-N 474.536 3.239 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccc5c(c4)OCO5)cc3)C(=N)N21 2297345536 GABCZZFUYLCOFK-UHFFFAOYSA-N 498.542 3.006 10 10 JGCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1CCN(S(=O)(=O)C=Cc2ccccc2)CC1 2297424825 OUTQIQQPGHOMPZ-UHFFFAOYSA-N 483.634 3.194 10 10 JGCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)Nc2ccc(S(N)(=O)=O)cc2)cc1 2313683699 SZIFKZMTMKQIKF-UHFFFAOYSA-N 492.557 3.488 10 10 JGCE N=C1/C(=C\c2ccc(OC(=O)c3ccccc3Cl)cc2)C(=O)N=C2SC(N3CCOCC3)=NN12 15935099 ZDOMZRVESVPONP-DIZYVDBLSA-N 495.948 3.468 10 10 JGCE COc1ccc(N2CCN([C@H](c3cccs3)[C@@H](C)NC(=O)C(=O)NCc3ccco3)CC2)cc1 20289393 QAXOVMMDPXUGKF-JPYJTQIMSA-N 482.606 3.034 10 10 JGCE CCn1c(N2CCN(C)CC2)c(/C=C2/SC(=S)N(CCC(C)C)C2=O)c(C)c(C#N)c1=O 33467383 HXAOTHJDTDFSMP-CPNJWEJPSA-N 473.668 3.047 10 10 JGCE CCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccc3c(c2)OCO3)SC1=S 40066610 RJGKFOYKXQYESA-LSCVHKIXSA-N 468.560 3.127 10 10 JGCE CCC(=O)N1N=C(c2c(O)[nH]c(=O)n(Cc3ccccc3)c2=O)C[C@H]1c1ccc(N(CC)CC)cc1 101765136 FWKVQVZBSXKJLN-QFIPXVFZSA-N 489.576 3.224 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cnc(Cl)c(Br)c3)cc2)CC1 1296399346 HFSMMTKWNJMDSB-UHFFFAOYSA-N 451.752 3.096 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)CCCOc3ccccc3C)CC2)cc1 1862230424 MLBSPJQJWZUCHJ-QHCPKHFHSA-N 483.634 3.413 10 10 JGCE COc1cccc(OC)c1C(=O)N[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867362356 RSRHSAZNGKKMLQ-SIKLNZKXSA-N 482.625 3.232 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCCc3ccc4c(c3)OCCO4)C(C)C)CC2)cc1 1868727617 SZGZIGBXQDRFJA-HHHXNRCGSA-N 495.620 3.279 10 10 JGCE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C[C@H]2CCCO2)C1=O 1873169183 CZGNDSOXJKNCNI-HSZRJFAPSA-N 464.610 3.284 10 10 JGCE O=C(CCCn1cnc2ccc([N+](=O)[O-])cc2c1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017404 PONICFPKDWCKJV-UHFFFAOYSA-N 482.452 3.499 10 10 JGCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(C)C)C3=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12 2053493380 WWKMLQYDPQNIEK-HOTGVXAUSA-N 472.636 3.474 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCCOCCOCc1ccccc1 2180965864 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1864020015 UGPBBIGWZYAXCU-OAQYLSRUSA-N 462.550 3.227 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nonc3OCC(=O)Nc3ccccc3C(C)C)CC2)cc1 1872675614 VDMDEPOLMACEAV-UHFFFAOYSA-N 479.537 3.182 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873168717 HEIXTHKAGMPYPC-UHFFFAOYSA-N 483.576 3.016 10 10 JGCE CC(=O)NCCN1C(=O)C(Nc2ccc3c[nH]nc3c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422476 ZFQAJXRDECTQFK-UHFFFAOYSA-N 482.544 3.299 10 10 JGCE CCCCn1c(C(=O)NC[C@@H]2CCCO2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873580163 HQYFCJXFUVZQMR-QFIPXVFZSA-N 492.624 3.475 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(Cl)s4)C3)CC2)cc1 1891856616 AXJZLAQAOOQRDZ-INIZCTEOSA-N 484.043 3.160 10 10 JGCE CC(C)(C)OC(=O)NCCN(C(=O)C1=C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 2136307523 HJWMBJCPEYBUTI-OALUTQOASA-N 461.559 3.129 10 10 JGCE COc1ccc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1CN1C(=O)c2ccccc2C1=O 2295872378 VIBPPHDUUIILFL-UHFFFAOYSA-N 487.512 3.286 10 10 JGCE COc1ccc(C(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)c(F)c1 10674781 GXQQGQCGYIXYJM-GIJQJNRQSA-N 460.508 3.194 10 10 JGCE C[C@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc(N5CCCC5=O)cc4)n3)cc2N(C)C1=O 11857931 BBXXNGZDDWWNBW-CQSZACIVSA-N 498.586 3.481 10 10 JGCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4cccc(C)c4)cc3)C(=O)N=C2S1 20208481 SLHSFVBXJYUPSO-UPLGOKCCSA-N 482.543 3.226 10 10 JGCE Cc1ccc2nc(N3CCCC3)c(/C=C3/SC(=S)N(CCCCCC(=O)O)C3=O)c(=O)n2c1 33451857 FPDZQRPJABAAQV-GHRIWEEISA-N 486.619 3.449 10 10 JGCE O=C(Cc1ccccc1)NN1C(=O)/C(=C/c2c[nH]nc2-c2cccc([N+](=O)[O-])c2)SC1=S 35516407 PQVKXOMKZKZBJW-BOPFTXTBSA-N 465.516 3.460 10 10 JGCE COc1ccc(N2CCN(C(=O)CCC3CCN(c4cc(NC5CC5)ncn4)CC3)CC2)cc1 65274303 IXFNNVKJTVKQPC-UHFFFAOYSA-N 464.614 3.405 10 10 JGCE COc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(O)cc3)C2=O)cc(OC)c1O 210697609 CAQARXHHACOCCN-GZTJUZNOSA-N 460.533 3.345 10 10 JGCE CCCNC(=O)COc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858863269 QMDIGUNDMUFLNZ-UHFFFAOYSA-N 458.474 3.406 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)C(F)(F)F)CC2)cc1 1861966968 QNXFELFGBXHCQN-HXUWFJFHSA-N 481.540 3.324 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)/C=C/c3ccc(OC)cc3OC)CC2)cc1 1862149529 YJZGBOYCYJEFLK-XCBPRYKJSA-N 479.577 3.065 10 10 JGCE CC[C@@H](NC(=O)C[C@@H](C)c1cccc(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868943864 XRQTVLFDYCQHCB-NTKDMRAZSA-N 453.583 3.441 10 10 JGCE CCCn1cc(OCC(=O)Nc2nccs2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870502242 HJTLJRBBSUAXOW-UHFFFAOYSA-N 497.621 3.063 10 10 JGCE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](NC(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 2200966021 ZEMFHOIQHYNWLD-IKGGRYGDSA-N 479.574 3.096 10 10 JGCE Cc1cc(C(=O)[C@H](C)OC(=O)CN2C(=O)NC(C)(C)C2=O)c(C)n1-c1ccc(OC(F)F)cc1 9250564 BSDORZNRWRVRGL-AWEZNQCLSA-N 477.464 3.140 10 10 JGCE Cc1ccc2nc(NCCO)c(/C=C3/SC(=S)N(CCCc4ccccc4)C3=O)c(=O)n2c1 33457826 YULVVFKFGJVLND-XMHGGMMESA-N 480.615 3.241 10 10 JGCE O=C(CCN1CCOCC1)NN1C(=O)/C(=C\c2ccc3noc(-c4ccccc4)c3c2)SC1=S 35518794 WJPFCUQNGCLXKZ-HMMYKYKNSA-N 494.598 3.450 10 10 JGCE COCCN1C(=O)/C(=C\c2c(NCCCOC(C)C)nc3ccc(C)cn3c2=O)SC1=S 102989151 DEWSXBGBVKELPQ-SFQUDFHCSA-N 476.624 3.078 10 10 JGCE COc1ccc(N2CCOCC2)cc1NC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O 1858033627 VZALLZZWIKWXPO-OAQYLSRUSA-N 451.523 3.181 10 10 JGCE Cc1noc(C)c1CNC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860343930 PKOPBASGZBFUCL-UHFFFAOYSA-N 453.502 3.496 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)Cc3c[nH]c4ccccc34)CC2)cc1 1862071053 SEOZGCAMHRYSQD-DEOSSOPVSA-N 480.634 3.306 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3nn(-c4ccccc4)c4c3CCC4)CC2)cc1 1862073033 QLZCAUCXIBQSDZ-AREMUKBSSA-N 499.615 3.323 10 10 JGCE COc1ccc(N2CCN(c3nc(=NC[C@H]4CCCO4)[nH]c(=Nc4cc(C)ccc4C)[nH]3)CC2)cc1 1871670017 JFXVGTOOQOFNGJ-HSZRJFAPSA-N 489.624 3.002 10 10 JGCE COc1ccc(N2CCN(C(=O)Cc3nonc3OCC(=O)Nc3ccccc3C(C)C)CC2)cc1 1872631387 QELKAXXCVZCXNJ-UHFFFAOYSA-N 493.564 3.110 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cc4c(N(C)C)ncnc4n3Cc3ccco3)CC2)cc1 1873563399 QMQSIWBDDAFTPW-UHFFFAOYSA-N 460.538 3.110 10 10 JGCE Cc1cccc(C=C2SC(=S)N(CC(=O)Nc3cc(C(=O)O)cc(C(=O)O)c3)C2=O)c1 2314936463 XZCCDJJYSXLHES-UHFFFAOYSA-N 456.501 3.231 10 10 JGCE CCn1cc(/C=C2/C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2ccccc21 33592343 BAFWNUYYBMKKHY-KGENOOAVSA-N 451.548 3.199 10 10 JGCE CC(=O)N1CCC[C@@H](CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 1524967556 AHYGAVNRUCPZSD-ZCQLHAAUSA-N 451.639 3.104 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3C[C@@H](C)CCN3C(=O)OC(C)(C)C)cc2)CC1 1634074333 LYJHZHYJBZZOAJ-PGRDOPGGSA-N 458.603 3.007 10 10 JGCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCc1ccc(F)cc1)[C@@H]2c1ccc(O)c(O)c1 1864010303 RLSQKRGWBKFBGI-HXUWFJFHSA-N 452.486 3.163 10 10 JGCE CN(C)c1ccc([C@H](CNC(=O)[C@H](CO)NC(=O)c2cccc3ccccc23)N2CCCCC2)cc1 1867672452 WJRFKHOXKCWDQA-SVBPBHIXSA-N 488.632 3.340 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nonc3OCC(=O)Nc3ccc(C(C)(C)C)cc3)CC2)cc1 1872682685 MCYBDDLIEQLGCJ-UHFFFAOYSA-N 493.564 3.356 10 10 JGCE COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)SCC(=O)N2C2CC2)cc1 1891991053 QFVYZWSJFQXBCV-RPBOFIJWSA-N 481.618 3.200 10 10 JGCE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1O 2297328176 AVKTZHDVAISVSD-UHFFFAOYSA-N 494.310 3.227 10 10 JGCE COc1ccc(N2CCN(C(=O)COC(=O)/C=C\c3c(C)nn(-c4ccccc4)c3C)CC2)cc1 33503980 ZCMDQQVKFUYEGO-YPKPFQOOSA-N 474.561 3.403 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)N3C(=O)c4cccc(OC)c4C3=O)CC2)cc1 1865845411 KASODQJZAROSAW-DEOSSOPVSA-N 499.567 3.260 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3nc(C(F)(F)F)n4ccccc34)CC2)cc1 1869063675 FOSLABKADSDQAA-UHFFFAOYSA-N 489.498 3.219 10 10 JGCE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2163127691 PAHWNXRKINBXEW-VWLOTQADSA-N 476.618 3.418 10 10 JGCE C[C@H]1CCCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)C1 2296701661 WYWFLJVRAQFHEZ-HOTGVXAUSA-N 470.620 3.311 10 10 JGCE Cc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1ccccc1Cl 2297346090 CIKWSYKHWSDQCD-UHFFFAOYSA-N 461.956 3.369 10 10 JGCE Cc1ccc(N2C(=O)C[C@H](N3C(=O)C(=Cc4cccc([N+](=O)[O-])c4)SC3=S)C2=O)cc1 2297478020 ANUFPEQPXORHSO-INIZCTEOSA-N 453.501 3.437 10 10 JGCE O=C(O)CCOc1cccc(C=C2SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)c1 2314926404 ILJLEWFOQXBUMS-UHFFFAOYSA-N 473.484 3.342 10 10 JGCE Cc1cc(CCNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)n1-c1ccccc1 11085467 JGQQRFLWTZGUIY-UHFFFAOYSA-N 495.645 3.407 10 10 JGCE COc1ccc(/C=C2\N=C(c3ccccc3)N(c3cc(S(=O)(=O)O)ccc3C(=O)O)C2=O)cc1 15220950 KWBHXJAFHBNYNP-MOSHPQCFSA-N 478.482 3.475 10 10 JGCE O=C1NC(=S)S[C@@H]1CNc1ccc(Oc2ccc(NC[C@H]3SC(=S)NC3=O)cc2)cc1 33678190 VVHXHSXYOHZYOV-HZPDHXFCSA-N 490.657 3.336 10 10 JGCE CC(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2CCCSc2nccs2)CC1 1508269403 YNJXTDZACFOBHP-UHFFFAOYSA-N 476.603 3.304 10 10 JGCE CSc1ccc(/C=C2/SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 1858591113 YGHNWVCUIOQNPI-SFQUDFHCSA-N 450.632 3.500 10 10 JGCE CCN(CC)c1ccc(/C=c2\sc3nc(CCc4ccc(OC)c(OC)c4)nn3c2=O)cc1 1860793497 RNMVPSVVUWHPAF-JWGURIENSA-N 464.591 3.347 10 10 JGCE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOCC)=C(N)O2 1864010866 PTLLQGZHEBAEJW-JOCHJYFZSA-N 492.576 3.473 10 10 JGCE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC1CCCCCC1)[C@@H]2c1ccc(O)c(O)c1 1864015361 PPIJILWCHHMNKQ-OAHLLOKOSA-N 466.460 3.384 10 10 JGCE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2 1865032716 JCWSHQBRNLXIRA-DMPWYTOCSA-N 490.560 3.176 10 10 JGCE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865033064 RAEZTGIXFFBGQY-NRFANRHFSA-N 460.534 3.222 10 10 JGCE COc1ccc(N2CCN(c3cc(N4CCN(C(C)=O)CC4)nc(-c4ccc(C)cc4)n3)CC2)cc1 1867963267 PVNKZBDSQBLELN-UHFFFAOYSA-N 486.620 3.456 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3cc(C)n(-c4ccccc4F)n3)CC2)cc1 1868984517 UMNIEGPLRHNCMK-UHFFFAOYSA-N 479.556 3.186 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)C[C@H]3CC(=O)c4ccccc43)CC2)cc1 1869033795 SUPSSTCXPCQHFT-DVECYGJZSA-N 495.645 3.342 10 10 JGCE COc1ccc(CCn2cc(OC)c(=O)cc2CN2CCN(c3ccc(OC)cc3)CC2)cc1 1870553124 HNANMWLANLUMNN-UHFFFAOYSA-N 463.578 3.439 10 10 JGCE C[C@H]1CN(C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)CCN1Cc1ccccc1 2200964893 RVGSRDAHUHWWDE-RXVVDRJESA-N 469.582 3.267 10 10 JGCE CCOC(=O)c1ccc(N2NC(=O)C(=Cc3cc(Br)ccc3OCC)C2=O)cc1 2297321580 LETRPNVVQABNCQ-UHFFFAOYSA-N 459.296 3.486 10 10 JGCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1cc(OC)ccc1OC 2313681441 FBJZHMISTNRGGI-UHFFFAOYSA-N 454.439 3.264 10 10 JGCE NC(=O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 2314541144 GAVLKMKSXDZHSN-CYBMUJFWSA-N 495.922 3.428 10 10 JGCE COc1ccc(C=C2SC(=S)N(N[C@@H]3OC(=O)c4c3ccc(OC)c4OC)C2=O)cc1OC 2314600306 ZRWKCDFOADREMI-LJQANCHMSA-N 488.543 3.296 10 10 JGCE CC[C@@H](Oc1cccc(C=C2SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)c1)C(=O)O 2314930552 FSJWVLWLDVDKFQ-QGZVFWFLSA-N 492.600 3.332 10 10 JGCE O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 105437690 WJHWBWAJIUWKAC-PCCBWWKXSA-N 468.421 3.290 10 10 JGCE C=Cc1ccc(S(=O)(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 1659685555 XLBISNNWTZFMKF-UHFFFAOYSA-N 453.543 3.064 10 10 JGCE CCCC[C@@H](NC(=O)CCOc1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862267416 QBBSTHKQHNSYED-XMMPIXPASA-N 453.583 3.488 10 10 JGCE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864008748 REPZUOLMXDTHJT-HSZRJFAPSA-N 492.576 3.277 10 10 JGCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC(C)CC1)[C@@H]2c1ccc(O)c(O)c1 1865034041 NVLLHRAWTCNRNH-OAHLLOKOSA-N 466.460 3.286 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)C(C)C)CC2)cc1 1868825432 QMTHMEHOROWKGH-RBZQAINGSA-N 453.558 3.427 10 10 JGCE O=C(CC[C@@H]1NC(=O)N(c2ccccc2)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874180670 JTXHMVLZDIIAHU-FQEVSTJZSA-N 453.454 3.306 10 10 JGCE Oc1c(Br)cc(Cl)cc1CNCCn1cnc(I)c1 2228835174 DXPLLIVRFJTJHO-UHFFFAOYSA-N 456.509 3.399 10 10 JGCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@@H]3C=CC[C@H]32)ccc1O 14459100 HREIMUWMVARQNM-IECBHUPTSA-N 455.580 3.163 10 10 JGCE Cc1cccc(OCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)c1 96459495 FDYLHQVHUGMDDA-ZKEXVTLTSA-N 484.559 3.074 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)C3(c4cccc(Br)c4)CC3)cc2)CC1 1296398962 GBYKREMYRBDVGK-UHFFFAOYSA-N 456.384 3.466 10 10 JGCE CC(=O)N1CC[C@@H](CN(C)c2nnc([C@@H]3CCCCO3)n2Cc2ccc(N(C)C)cc2C)C1 1595983770 PXGWPMRBYGTEGF-REWPJTCUSA-N 454.619 3.247 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3cc(-c4ccc(F)cc4)n(C)n3)CC2)cc1 1861885491 UDBXHLDTMXLVQK-UHFFFAOYSA-N 479.556 3.092 10 10 JGCE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2 1864009942 GENDWFBQQPFBAI-JOCHJYFZSA-N 492.576 3.209 10 10 JGCE NC1=C(C(=O)NC2CC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1 1864015088 JKBIBMKSLXSUQU-INIZCTEOSA-N 472.423 3.276 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)[C@H](C)c3ccc(Br)cc3)CC2)cc1 1868829701 DYCLCOWCMAKARJ-IAGOWNOFSA-N 474.399 3.415 10 10 JGCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1 1891768775 RFPKYXGBZBWJBH-AVCGJXAMSA-N 457.571 3.284 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 2200958315 KNHANYKANVLKRE-KRWDZBQOSA-N 479.574 3.003 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2200966023 ZEMFHOIQHYNWLD-ZACQAIPSSA-N 479.574 3.096 10 10 JGCE CCN(CC)c1ccc(CN(C[C@H](O)COc2ccccc2C(C)=O)[C@@H]2CCS(=O)(=O)C2)cc1 40319634 JHATZIQLJFQCDC-RPWUZVMVSA-N 488.650 3.164 10 10 JGCE Cc1cc(=O)oc2cc(O[C@@H]3O[C@@H]4CO[C@H](c5ccccc5)O[C@@H]4[C@@H](O)[C@@H]3N=[N+]=[N-])ccc12 255989046 MYWUUBHOPGUEKN-RDWQTBIRSA-N 451.435 3.359 10 10 JGCE in-vitro CC(=O)N(C)c1ccc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 1187572766 LJLBSAVQUIHHPE-MRXNPFEDSA-N 453.511 3.218 10 10 JGCE CC[C@H](NC(=O)COc1ccc(Cl)c(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862191327 MWFPMKJPFGVDOU-QFIPXVFZSA-N 459.974 3.279 10 10 JGCE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864008612 OGJGQTLTTWMYAO-IBGZPJMESA-N 497.349 3.328 10 10 JGCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864013651 FAHUKFYSOQOOIA-LJQANCHMSA-N 452.511 3.261 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864019776 QPDIHGHEETWNAK-GOSISDBHSA-N 454.914 3.330 10 10 JGCE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864020086 VVNJMHVMRLQWAU-GOSISDBHSA-N 454.914 3.058 10 10 JGCE COCCc1nc(N2CCN(c3ccccc3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1867953251 VTYPUWCELKFWFI-UHFFFAOYSA-N 488.636 3.327 10 10 JGCE COCCCN1[C@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(C)n2)C[C@H]1C 1869293402 AIERDKQFGDMNFB-NHCUHLMSSA-N 468.646 3.056 10 10 JGCE CCCN=c1nc(Nc2ccc3n[nH]cc3c2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871628113 FETSKRWOIMDPEA-UHFFFAOYSA-N 459.558 3.071 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nonc3OCCOc3ccc(Cl)cc3)CC2)cc1 1872681702 RZFFDPQDYDTPKL-UHFFFAOYSA-N 458.902 3.152 10 10 JGCE CN(C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2ccccc2)C1 2200952452 JBTKJURDWJHIMU-SFTDATJTSA-N 469.582 3.267 10 10 JGCE COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCCC(=O)O)cc3)SC2=S)cc1 16907899 GYDAVXKKOPQXCB-SFQUDFHCSA-N 458.517 3.095 10 10 JGCE CCN(CC)c1ccc(/C=c2/s/c(=C\C(=O)C(C)(C)C)n(CC(=O)NC3CCCCC3)c2=O)cc1 97993941 IWUHTDJTQMTSLW-BJNVVXQISA-N 497.705 3.429 10 10 JGCE CN(C)c1ccc([C@@H]2N[C@](Cc3ccccc3)(C(=O)O)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)cc1 107089716 RKUMUQWCVLWFBY-SGDZTBBFSA-N 483.568 3.264 10 10 JGCE C#CCN(c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1705561598 RXGKRYZIGGJPEP-BKMJKUGQSA-N 495.649 3.140 10 10 JGCE CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3csc(C)n3)n2Cc2ccc(N(C)C)c(F)c2)C1 1722756881 ORUPRYURKBRJLC-LJQANCHMSA-N 485.633 3.192 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc3)CC2)cc1 1861919742 FMZLTOREVIGIBC-XMMPIXPASA-N 474.517 3.423 10 10 JGCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864007031 DMAGQYMLDIHENH-LJQANCHMSA-N 452.898 3.219 10 10 JGCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865030297 HMXROZKMPDRMID-MDOVXXIYSA-N 454.571 3.466 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2200950726 BLSUBRSZCNLARU-ULQDDVLXSA-N 479.574 3.096 10 10 JGCE Cc1cccc(N2C(=O)C(=Cc3cc(Br)c(N4CCOCC4)o3)C(=O)NC2=S)c1C 2294005068 WYXIAGCCQTXHQD-UHFFFAOYSA-N 490.379 3.327 10 10 JGCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OC)cc3OC)C2=O)cc1 2294095138 LCFKRSVPUNDEMH-UHFFFAOYSA-N 461.268 3.141 10 10 JGCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1O 2294095482 SWRBTWPBBKKVFR-UHFFFAOYSA-N 492.269 3.370 10 10 JGCE COc1ccc(N2C(=O)C(=Cc3cc(Br)c(OC)c(OC)c3)C(=O)NC2=S)cc1 2297305798 UCCUUARGGLSPEC-UHFFFAOYSA-N 477.336 3.306 10 10 JGCE CCOC(=O)Cn1cc(C=C2C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)c2ccccc21 2297313848 VELTUONGUKAHMB-UHFFFAOYSA-N 475.501 3.230 10 10 JGCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O 14468541 BIMZDKPLJPHIAK-RLSLOFABSA-N 484.574 3.468 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(c4ccc(-c5cccnc5)nn4)C3)CC2)cc1 22489249 LKWSNSWFFHEQOR-OAQYLSRUSA-N 458.566 3.112 10 10 JGCE O=C(CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)N1CCN(CCc2ccccn2)CC1 205621927 FEEXNHVYDPGZDT-ZBJSNUHESA-N 480.659 3.450 10 10 JGCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCC(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1 1864007980 YTZMAXOZBXVMRB-JOCHJYFZSA-N 478.549 3.457 10 10 JGCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCOC)[C@H]2c1ccc(O)c(O)c1 1864016450 PIJGPHPPKFMBEW-FQEVSTJZSA-N 478.549 3.219 10 10 JGCE COc1ccc(N2CCN(c3nc(NC(=O)Cc4cccc5ccccc45)n(C)n3)CC2)cc1 1869969537 POCDCSVZOCDTQF-UHFFFAOYSA-N 456.550 3.485 10 10 JGCE COc1cccc(C2=NN(C(=O)C=C3SC(=O)NC3=O)[C@@H](c3ccc(N(C)C)cc3)C2)c1 2293228124 JIYIHDHQXHQJLQ-LJQANCHMSA-N 450.520 3.306 10 10 JGCE CC(=O)NCCc1c(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)[nH]c2ccccc12 2297060247 LNVWJVOPVGSOCS-UHFFFAOYSA-N 450.882 3.166 10 10 JGCE COc1ccc(N2CCC(NC(=O)N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)CC2)cc1 726714170 UJDPZTJZBHVSMK-UHFFFAOYSA-N 487.000 3.250 10 10 JGCE O=C1/C(=C\c2cc(Cl)cc(Br)c2O)SC(=S)N1CCN1CCOCC1 1858587480 DVSYMPRBOQLUNO-MDWZMJQESA-N 463.806 3.342 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3ccc(F)cc3)CC2)cc1 1862065596 OUYXVRVRNYNQTP-RUZDIDTESA-N 477.536 3.230 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3ccc4nc(C(C)(C)C)[nH]c4c3)CC2)cc1 1862103362 LMZYPNAUSYJGFY-QGZVFWFLSA-N 463.582 3.336 10 10 JGCE CC[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1C(=O)c2cccc(OC)c2C1=O 1865841422 MRWHGPUHKJJSIK-FQEVSTJZSA-N 468.465 3.484 10 10 JGCE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)sc2c1CCC2 1865928171 XHIFHQRUAQQDDL-INIZCTEOSA-N 486.590 3.460 10 10 JGCE COc1ccc(N2CCN(c3cc(N4C[C@H](C)O[C@@H](C)C4)nc(-c4cccnc4)n3)CC2)cc1 1868002578 FPTLVPLKRFEEDM-PMACEKPBSA-N 460.582 3.487 10 10 JGCE CC[C@@](C)(NC(=O)c1cc(-c2ccco2)on1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868632698 VIPGQQIOJMMFOB-XMMPIXPASA-N 452.511 3.191 10 10 JGCE COc1ccc(N2CCN(c3nc(NC(=O)Cc4ccccc4[N+](=O)[O-])n(C(C)(C)C)n3)CC2)cc1 1869970930 UEOFXPFXOZIENY-UHFFFAOYSA-N 493.568 3.458 10 10 JGCE CC(C)[C@H](NC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017729 UPNNYPIVOWKFPB-VWNXMTODSA-N 484.508 3.381 10 10 JGCE CCCOC(=O)CCN1C(=O)C(=C2C(=O)N(C)c3ccc(Br)cc32)SC1=S 2314761836 YFGIYHCDNFHNLL-UHFFFAOYSA-N 469.382 3.340 10 10 JGCE NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)cc1 2314831173 DZPMJCGYLSTLRI-UHFFFAOYSA-N 479.580 3.093 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)C=Cc3ccco3)CC2)cc1 2331429199 CYXFLVDFIRKJER-VWLOTQADSA-N 459.546 3.378 10 10 JGCE COC(=O)C1=CN(C2CC2)c2cc(N3CCN(c4ccc(C(C)=O)cc4)CC3)c(F)cc2S1(=O)=O 33140740 BPBDSUKRXAGSNE-UHFFFAOYSA-N 499.564 3.125 10 10 JGCE COc1ccc(N2CCN([C@@H](CNC(=O)Cc3ccc([N+](=O)[O-])cc3)c3ccco3)CC2)cc1 38598177 GROVUNWLYDSLCP-QHCPKHFHSA-N 464.522 3.419 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Nc3ccc(C(C)(C)C)cc3)CC2)cc1 44441248 LXSJFSDPFSIUSY-UHFFFAOYSA-N 474.627 3.266 10 10 JGCE CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(N(C)C)cc4)N[C@@](C(=O)O)(c4ccccc4)[C@@H]3C2=O)cc1 248092311 YFOFGEYUENUKHA-MGQBIDJDSA-N 497.551 3.385 10 10 JGCE C[C@@H](OC(=O)Cn1ncc2ccccc21)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 730637024 CAEKCSBJJLAVOQ-OAHLLOKOSA-N 453.454 3.382 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)C3(c4ccc(Br)cc4)CC3)CC2)cc1 742919693 CSJALJISXVDZBF-UHFFFAOYSA-N 458.400 3.428 10 10 JGCE CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCc3cccc(Cl)c3O)cc21 1195882890 UDVXFNKQUYMHHO-UHFFFAOYSA-N 459.749 3.196 10 10 JGCE CC[C@@H](NC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862069307 NCBHHNLLTRXUBT-XMMPIXPASA-N 487.604 3.227 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)/C=C/c3cc(OC)ccc3OC)CC2)cc1 1862241389 WYMQOXVRKGZREY-KSMYTKSHSA-N 479.577 3.065 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)Cc3nc(-c4cccc(C)c4)oc3C)CC2)cc1 1868634946 WERKPSXRFXGNQG-IBGZPJMESA-N 476.577 3.363 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)[C@H](Cc3ccncc3)c3ccccc3)CC2)cc1 1868667682 LODSALHUEWQKGT-QFQXNSOFSA-N 472.589 3.270 10 10 JGCE CCOC(=O)c1ccc(N2N=C(C)C(=Cc3cccn3-c3ccc(S(N)(=O)=O)cc3)C2=O)cc1 2297307902 SHGKVQFZXXJJKW-UHFFFAOYSA-N 478.530 3.108 10 10 JGCE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NCCCN2CCOCC2)cc1 2297471458 UHPQVYVGKQFCPJ-UHFFFAOYSA-N 452.530 3.171 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)C=Cc3ccc(F)cc3)CC2)cc1 2328574125 OKGLCAWXIFXBKV-QFIPXVFZSA-N 455.555 3.098 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)CCC3CCCCC3)CC2)cc1 11796462 IAYNORHWYWEVMF-UHFFFAOYSA-N 451.633 3.014 10 10 JGCE CCCCN(C(=O)/C=C/c1c(C)nn(-c2ccccc2)c1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 14720086 JMZYHZISCPGPGD-BUHFOSPRSA-N 478.597 3.424 10 10 JGCE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(\C)NN2CCN(C)CC2)cc1 103525295 BDXXSVMDWSPEAN-LTGZKZEYSA-N 462.579 3.082 10 10 JGCE COCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2NCc2ccc(C)cc2)SC1=S 208273045 ODRLAFAPNMXZBD-YBFXNURJSA-N 468.604 3.334 10 10 JGCE CC(=O)N1CCN([C@H]2CN(c3nnc(CC(C)C)n3CCCSc3nccs3)C[C@H]2C)CC1 1359399876 XFQXVGGPMACYCD-QUCCMNQESA-N 491.731 3.104 10 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3.474 10 10 JGCE COCCCN1C(=O)/C(=C\c2c(NCCCOC(C)C)nc3ccccn3c2=O)SC1=S 34805774 SEVFLIVEDHDRCB-SAPNQHFASA-N 476.624 3.159 10 10 JGCE CC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@](C(=O)O)(c2ccccc2)N[C@H]3c2ccc(N(C)C)cc2)cc1 102438567 YFOFGEYUENUKHA-JLMYGFKKSA-N 497.551 3.385 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nnn(-c4cccc(Br)c4)c3C)CC2)cc1 108310612 JHLHCPZWQXWHIO-UHFFFAOYSA-N 456.344 3.309 10 10 JGCE CCOc1cc(C=O)ccc1OC[C@H](O)CN(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 256037161 AMSLRKZJUNHUGP-DNQXCXABSA-N 456.583 3.385 10 10 JGCE CC(=O)N(C)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1595939392 RBTOOOJGGFMKBJ-UHFFFAOYSA-N 451.550 3.041 10 10 JGCE COC(=O)c1ccc(O)c(-c2csc(NS(=O)(=O)c3cc(OC)ccc3OC)n2)c1 1858073493 AJYBQGNYZCHVSO-UHFFFAOYSA-N 450.494 3.120 10 10 JGCE CCOc1cc(/C=C2/SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)ccc1OC 1858590669 DCDMYBHQARHLSE-CPNJWEJPSA-N 478.617 3.185 10 10 JGCE COc1ccc(N2CCN(C(=O)CCCc3nc(-c4cc(OC)c(OC)c(OC)c4)no3)CC2)cc1 1860305517 UVZAEGSNVWZEBF-UHFFFAOYSA-N 496.564 3.443 10 10 JGCE O=C(OCc1ccccc1)N1CCOC[C@@H](NCc2cc(Br)cc(F)c2O)C1 2034725803 MQIKRVORGGEYPU-KRWDZBQOSA-N 453.308 3.421 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N(CCC(=O)O)Cc1ccccc1 2123680273 YFUJFPDHFAGPJO-SFHVURJKSA-N 458.511 3.037 10 10 JGCE COc1ccc(C=C2SC(=S)N(CCC(=O)Nc3nnc(C)s3)C2=O)cc1OC 2297476538 FPKOCZQOPKLAJV-UHFFFAOYSA-N 450.567 3.094 10 10 JGCE CO[C@H](CNC(=O)OC(C)(C)C)[C@H](CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 2327089620 AEASUDDHQRKCMU-RBUKOAKNSA-N 452.596 3.015 10 10 JGCE CN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc(N5CCCC5=O)cc4)n3)cc21 11857924 ULGKOYSXCVZHOT-UHFFFAOYSA-N 484.559 3.093 10 10 JGCE CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccc(OC)cc2)CC1 38619722 OJLCRCUDAWEDIE-HSZRJFAPSA-N 492.576 3.305 10 10 JGCE CCC[C@@H](NC(=O)COc1ccccc1OCC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862175674 CIBIJYYJQYAWCS-JOCHJYFZSA-N 469.582 3.106 10 10 JGCE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2 1864010834 PKTNABUIRWYMBY-NRFANRHFSA-N 478.549 3.083 10 10 JGCE 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CC[C@](C)(NC(=O)c1cc(-c2ccc(F)cc2)n(C)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861885023 MIIXMRUWILMJAC-MHZLTWQESA-N 493.583 3.482 10 10 JGCE CC[C@H](C)N1C(=O)c2ccc(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)cc2C1=O 1865894470 UUVCIRCGSJFVRY-AOMKIAJQSA-N 459.550 3.400 10 10 JGCE CCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(CC)c([N+](=O)[O-])c2)[nH]1 1871618001 UCBDQIPYBNICHZ-UHFFFAOYSA-N 492.584 3.087 10 10 JGCE COc1ccc(NC(=O)CN2C(=O)SC(=Cc3ccc(N4CCOCC4)cc3OC)C2=O)cc1 2294395184 FGQZJVIXXPFQDQ-UHFFFAOYSA-N 483.546 3.215 10 10 JGCE O=C1/C(=C\c2c(NC[C@H]3CCCO3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 1300125 OFWHLUBQVWPLIV-SWEABUAFSA-N 468.560 3.280 10 10 JGCE O=C(CCN1C(=O)/C(=C/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)SC1=S)N1CCOCC1 9090572 LGMGOJJDHDESTA-RVFWBLQRSA-N 467.956 3.168 10 10 JGCE CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 105487201 CJUFMDQVHKYPTQ-VABKMULXSA-N 480.476 3.340 10 10 JGCE CC1=NN(c2cccc(S(=O)(=O)O)c2)C(=O)[C@@H]1N=Nc1cc(Cl)c(C)cc1S(=O)(=O)O 255971901 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CC[C@@H](Oc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)cc1)C(=O)O 2314929825 SGJLOCYFDRQJQB-QGZVFWFLSA-N 492.600 3.332 10 10 JGCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@@H]3C=CC[C@H]32)ccc1OC(C)=O 20702395 BIMZDKPLJPHIAK-FHAGJXEFSA-N 484.574 3.468 10 10 JGCE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)n(-c4ccccc4)c3C)CC2)cc1 23154189 FZJSNNUKHJYXJU-UHFFFAOYSA-N 453.564 3.249 10 10 JGCE COc1ccc(N2CCN(C(=O)CCn3c(N4CCCCC4)nc4ccccc4c3=O)CC2)cc1 33308596 WEJPFGAVSPJPHZ-UHFFFAOYSA-N 475.593 3.134 10 10 JGCE COc1c([N+](=O)[O-])cc(N2CCCN(Cc3cscn3)CC2)c([N+](=O)[O-])c1Br 727432936 FRSFFWFBMOMKHY-UHFFFAOYSA-N 472.321 3.443 10 10 JGCE CC(=O)N1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCSc2nccs2)CC1 1741033125 MYHQWSVTUYLNKT-QFIPXVFZSA-N 494.687 3.016 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3cccc(Br)c3)CC2)cc1 1862039338 ONHBZHYOUQZLIF-OAQYLSRUSA-N 472.383 3.411 10 10 JGCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N(CC)CCc1ccncc1)[C@H]2c1ccc(O)c(O)c1 1865034929 HTVMLMBPRQNNJC-QFIPXVFZSA-N 491.592 3.448 10 10 JGCE 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457.508 3.148 10 10 JGCE CCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 33339546 RFYZNBXLQPONQR-KNTRCKAVSA-N 477.615 3.242 10 10 JGCE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Oc1cccc(OC(=O)[C@@]34CC[C@@](C)(C(=O)C3=O)C4(C)C)c1)C(=O)C2=O 33514262 KGJWVALKNYMDJX-KXSOJQAOSA-N 494.540 3.426 10 10 JGCE COc1ccc(C2=NN(C3=NC(=O)[C@@H](CC(=O)O)S3)[C@@H](c3ccc(N(C)C)cc3)C2)cc1 72413242 CBISAAGOMJFMKM-WOJBJXKFSA-N 452.536 3.385 10 10 JGCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)NC1CC(C)(C)NC(C)(C)C1 205943790 YFSCDWMJMPLOES-XSFVSMFZSA-N 457.531 3.033 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)N3CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C3)CC2)cc1 726247124 GMCNAAHDHDFVHQ-NRFANRHFSA-N 489.661 3.106 10 10 JGCE CCOc1cc2c(cc1CNC(=O)NCCN1CCN(c3ccc(OC)cc3)CC1)O[C@H](C)C2 742947281 AOXYECLFGJLNMH-LJQANCHMSA-N 468.598 3.039 10 10 JGCE C=CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1ccc(N2CCOCC2)c(F)c1 1705883144 WZGWZIBVHGVGML-UHFFFAOYSA-N 452.534 3.003 10 10 JGCE CCCOc1ccc(/C=C2/SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)cc1OCC 1858592474 PGWXBMRWJNIOGI-XDUBLRSXSA-N 453.538 3.393 10 10 JGCE O=C(CCNCc1cc(Cl)cc(Br)c1O)Nc1ccc(N2CCOCC2)nc1 1860715065 LZFMGGCDMYMYIS-UHFFFAOYSA-N 469.767 3.158 10 10 JGCE CCOC(=O)c1c(NC(=O)C(=O)N[C@H](CC)CO)sc(C)c1-c1ccc(Br)cc1 1860758233 HKOLKAVTMOVACU-CQSZACIVSA-N 483.384 3.488 10 10 JGCE C[C@H](O)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864014543 XUVJNNPAZFTZHK-KSFYIVLOSA-N 498.539 3.142 10 10 JGCE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC)[C@H]1c1ccc(O)c(O)c1 1864017679 RLGLVJNCZXIPQR-LJQANCHMSA-N 464.522 3.211 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864019026 UPIHVDVDTQXESP-IBGZPJMESA-N 468.941 3.389 10 10 JGCE CC(C)(C)OC(=O)NCCN(CCCC(=O)Nc1ccc(N)cc1)CCNC(=O)OC(C)(C)C 2163028521 DKZFARBZZPBVDM-UHFFFAOYSA-N 479.622 3.339 10 10 JGCE Cc1c(N2C(=O)C(=C3C(=O)Nc4ccc([N+](=O)[O-])cc43)SC2=S)c(=O)n(-c2ccccc2)n1C 2296796745 XJGZVZSYFPBLJJ-UHFFFAOYSA-N 493.526 3.121 10 10 JGCE COCCN1C(=O)C(=Cc2cn(CCCOc3ccccc3OC)c3ccccc23)C(=O)NC1=S 2297560238 DPRAAMKTUSBWIS-UHFFFAOYSA-N 493.585 3.392 10 10 JGCE Cc1ccc(CN(C(=O)CN2C(=O)C(=Cc3ccccc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 2314600215 RYQXNZZKSXAPOM-KRWDZBQOSA-N 490.628 3.005 10 10 JGCE O=C(O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=S 2314650634 SRGBQBHRCCVZFM-CYBMUJFWSA-N 461.473 3.164 10 10 JGCE COc1cccc(C=C2SC(=S)N(CCNC(=O)c3cc4ccccc4oc3=O)C2=O)c1 2320656325 HVVQJAIXGMIJHU-UHFFFAOYSA-N 466.540 3.433 10 10 JGCE COc1cccc(C=C2SC(=S)N(CCNC(=O)c3cccc(NC(C)=O)c3)C2=O)c1 2320656407 NDFDWOJFMOUXTA-UHFFFAOYSA-N 455.561 3.285 10 10 JGCE CCOc1ccc(C=CC(=O)N2CCC[C@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1OC 2330621350 CGJFLINWURXDPN-DEOSSOPVSA-N 493.604 3.456 10 10 JGCE COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3C)C2=O)ccc1OCCC(=O)O 16912020 XQVGOOCSCPEJKB-LDADJPATSA-N 472.544 3.403 10 10 JGCE CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cccn3-c3cccc(Cl)c3Cl)C(=N)N21 96462713 KDZUQYYINKVPMK-GGFLDDBKSA-N 468.347 3.405 10 10 JGCE CCC[C@@H](NC(=O)/C=C/c1cc(OC)ccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 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CO[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@H]1NC(=O)OC(C)(C)C 2122657688 UZZWCKAUDDNLKP-QUCCMNQESA-N 462.591 3.290 10 10 JGCE COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2C)cc1 2296554388 ZWSWPQJCIDCQTL-UHFFFAOYSA-N 487.468 3.276 10 10 JGCE Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CN3C(=O)c4ccccc4S3(=O)=O)c2C)cc1C 9220583 HHJVYANIRAZFCJ-UHFFFAOYSA-N 480.542 3.282 10 10 JGCE CN(C)c1ccc([C@@H](CNC(=O)CN2C(=O)c3ccccc3C2=O)N2CCc3ccccc32)cc1 9529647 DWCWPEOOJVBPTI-RUZDIDTESA-N 468.557 3.269 10 10 JGCE COCCN(C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H]1c1cccc(F)c1)C(=O)COC 34740537 QBERELCPNQIVAO-DHLKQENFSA-N 457.590 3.229 10 10 JGCE COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@@H](C(=O)NCCN(C)C)[C@H]3C2)cc1 35871252 DDPOKFGJWDHBJP-FYYLOGMGSA-N 476.543 3.259 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)Nc3cc(F)ccc3OC[C@H]3CCCO3)CC2)cc1 730899297 BUHNWTJVCHMULA-JOCHJYFZSA-N 472.561 3.336 10 10 JGCE CC(=O)N1CCN(c2ccc(CN=c3cc(C(F)(F)F)[nH]c(-c4ccncc4)n3)cc2)CC1 1186373743 RHJOIHHZTVYCEM-UHFFFAOYSA-N 456.472 3.260 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)CCCOc3ccccc3C)CC2)cc1 1862230423 MLBSPJQJWZUCHJ-HSZRJFAPSA-N 483.634 3.413 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864015844 WYVQBGANXVBMLC-HNNXBMFYSA-N 460.412 3.133 10 10 JGCE CCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864018267 HFQRKEATXUFDDS-HXUWFJFHSA-N 463.538 3.242 10 10 JGCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2C)[C@H]1c1ccc(O)c(O)c1 1864022742 QEQHRAXHEPJYJP-ORAYPTAESA-N 464.522 3.116 10 10 JGCE CC[C@H](C)[C@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)N1C(=O)c2cccc(OC)c2C1=O 1865851062 YDOXNXPKGKRFEB-GAJHUEQPSA-N 465.550 3.063 10 10 JGCE CC[C@@H](NC(=O)Cc1ccc2nc(O)c(C)cc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868814350 JBWLVGSFCAJKTJ-HSZRJFAPSA-N 476.577 3.044 10 10 JGCE CCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1Cc1ccco1 1873597765 KPYUBHYVIWZJSF-UHFFFAOYSA-N 460.538 3.158 10 10 JGCE CCOC(=O)N1CCN(C(=O)CCCN2C(=O)C(=Cc3ccc(C)cc3)SC2=S)CC1 2296754799 ABZQLYXZYWQTLP-UHFFFAOYSA-N 461.609 3.277 10 10 JGCE COc1cc(C=C2C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)ccc1OCc1ccccc1 2297352587 DCRABJWBLVHODN-UHFFFAOYSA-N 477.546 3.183 10 10 JGCE O=C(O)CCCN1C(=O)C(=Cc2cn(CCN3CCOCC3)c3ccccc23)SC1=S 2326954671 RNHXKOKALDQYRC-UHFFFAOYSA-N 459.593 3.040 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(c4ccc(-c5ccncc5)nn4)C3)CC2)cc1 22488248 SSNYIPNWGAAGEY-NRFANRHFSA-N 458.566 3.112 10 10 JGCE CCOC(=O)CN1C(=O)/C(=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)c2ccccc21 34890022 QDBHOJCGXTWEHW-HNENSFHCSA-N 454.529 3.381 10 10 JGCE O=C(CCN1CCOCC1)NN1C(=O)/C(=C/c2ccc3noc(-c4ccccc4)c3c2)SC1=S 35518790 WJPFCUQNGCLXKZ-HKWRFOASSA-N 494.598 3.450 10 10 JGCE CCN(CC)CCC[C@H](C)N/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 102455739 TZZPMFNXUHSWLT-DLRWLJPMSA-N 451.365 3.016 10 10 JGCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)N4CCC[C@H]4CO)c4ccccc34)[C@H]21 1616044637 LCIZWHPOVUXFNZ-QYBDOPJKSA-N 458.562 3.162 10 10 JGCE CC(=O)N1CC[C@H](CN(C)c2nnc([C@H]3CCCCO3)n2CCCSc2nccs2)C1 1705963138 SQPXTYDWSCTTSK-QZTJIDSGSA-N 464.661 3.463 10 10 JGCE CCCc1nc2ccc(C(=O)NC(C)(C)C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2[nH]1 1862107948 XFZSPNFUGXXFJJ-UHFFFAOYSA-N 463.582 3.381 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)COc3ccc(OC)cc3C(C)(C)C)CC2)cc1 1862173418 FEPSGDQPTMYVJH-IBGZPJMESA-N 483.609 3.234 10 10 JGCE COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)CC2)cc1 1891325350 ZVQVIWOJUAWWME-UHFFFAOYSA-N 484.043 3.160 10 10 JGCE COCCCN1C(=O)C(=Cc2c(NCCCOC(C)C)nc3ccccn3c2=O)SC1=S 2297464538 SEVFLIVEDHDRCB-UHFFFAOYSA-N 476.624 3.159 10 10 JGCE CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 2997244 NBGLQKDCNBLCJJ-FCKOQQNDSA-N 491.613 3.181 10 10 JGCE COc1ccc(N2CCN(c3cc(C(=O)NCCCN4CCOCC4)c4ccccc4n3)CC2)cc1 23435469 ZDPPYWGJWJASDU-UHFFFAOYSA-N 489.620 3.022 10 10 JGCE CCCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O 33812649 TYHFDBPPHYIOSR-RGEXLXHISA-N 473.668 3.192 10 10 JGCE COc1cc(/C=C2/C(=N)N3N=C(c4cccc(C)c4)SC3=NC2=O)ccc1OCC(=O)O 35330665 ZIOKGDHIPKEIGM-POCCGPMPSA-N 450.476 3.134 10 10 JGCE COc1cccc([C@@H]2N[C@](Cc3ccccc3)(C(=O)O)[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]23)c1O 248088912 GBKQSNIFEMMNLR-AMZZYFJHSA-N 486.524 3.225 10 10 JGCE CC(=O)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(N(C)C)cc2C)CC1 1690837119 XYXPOOXRNDJIRS-UHFFFAOYSA-N 486.418 3.127 10 10 JGCE Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)cc1 1858623835 IJGNGASMCFZRPE-UHFFFAOYSA-N 489.553 3.309 10 10 JGCE CCOCCOC(=O)COc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858844509 HLMVLIWRLSOLEZ-UHFFFAOYSA-N 489.484 3.460 10 10 JGCE CCC[C@@H](NC(=O)CCCOc1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862223941 MTBGILBYCZDQGV-XMMPIXPASA-N 453.583 3.488 10 10 JGCE COc1ccc(OCCCC(=O)N2CCC[C@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862234250 PXUXHDIQRVZBPV-VWLOTQADSA-N 481.593 3.203 10 10 JGCE Cc1ccc(C)c(CNC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3C)[C@H]2c2ccc(O)c(O)c2)c1 1864015165 KVVWZHVWVXQOAP-QGZVFWFLSA-N 488.466 3.478 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)Cc3sc(C)nc3C)CC2)cc1 1868582671 POLYYLZQUHRUQD-DEOSSOPVSA-N 492.645 3.387 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccncc3)CC2)cc1 1874642294 ALLYBYVREQWWAN-AREMUKBSSA-N 483.572 3.261 10 10 JGCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(I)c3)C2=O)cc1 2294092672 KDHXJYPLXQNLFN-UHFFFAOYSA-N 462.243 3.226 10 10 JGCE O=C(CCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)N1CCN(CCc2ccccn2)CC1 2314627546 HSRUJKSSGGKBCD-UHFFFAOYSA-N 484.622 3.199 10 10 JGCE CCC[C@H](NC(=O)C=Cc1ccc(C(=O)OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2331336898 IILZQIDDTUSTEE-DEOSSOPVSA-N 479.577 3.129 10 10 JGCE CCOc1ccc(OCC(=O)NCCN2C(=O)/C(=C\c3cccc(OC)c3)SC2=S)cc1 62050560 OGOWYFDUMXDGDF-XSFVSMFZSA-N 472.588 3.490 10 10 JGCE O=C(O)CCNC(=O)CN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S 210681648 OBXVRXMKJUGQMQ-LDADJPATSA-N 456.545 3.058 10 10 JGCE CCN1CC[C@@H](CNC(=O)CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)C1 730937762 WYRJTHHAXUEUPH-FSEGOYHTSA-N 468.442 3.108 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCN(S(=O)(=O)c4ccc(C)c(Cl)c4)C3)CC2)cc1 1858409218 NRDXFBFOTCYZBZ-SFHVURJKSA-N 478.014 3.016 10 10 JGCE CC[C@H](NC(=O)[C@H]1CCCN(Cc2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862005967 XSFIWWGBRDNYLB-OZXSUGGESA-N 478.637 3.151 10 10 JGCE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1ccc(F)cc1)[C@@H]2c1ccc(O)c(O)c1 1864015207 MCIVFCZFQAJFCL-MRXNPFEDSA-N 492.429 3.043 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)Cc3nc(-c4ccccc4OC)oc3C)CC2)cc1 1868649370 QUVWNKSGECJJKM-SFHVURJKSA-N 492.576 3.063 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)Cc3ccc4nc(O)c(C(C)C)cc4c3)CC2)cc1 1868910337 ILLGRMYZBYQVRL-IBGZPJMESA-N 490.604 3.468 10 10 JGCE CCOC(=O)N1CCN(C(=O)CN2C(=O)C(=CC(C)=Cc3ccccc3)SC2=S)CC1 2296882316 OLMRSBXOGHBGMI-UHFFFAOYSA-N 459.593 3.135 10 10 JGCE CCOC(=O)c1ccc(CN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 2326944776 VVRYISRHFAVXAR-UHFFFAOYSA-N 496.566 3.456 10 10 JGCE COC[C@H](C)OC(=O)Cn1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945390 HKTSQDTZPJVVBO-AWEZNQCLSA-N 476.576 3.285 10 10 JGCE CO[C@@H](CNC(=O)OC(C)(C)C)[C@@H](CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 2327089612 AEASUDDHQRKCMU-MOPGFXCFSA-N 452.596 3.015 10 10 JGCE COc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(OCCC(=O)O)c3)SC2=S)cc1 16908193 WRJYSBDYDJXDQJ-SFQUDFHCSA-N 458.517 3.095 10 10 JGCE COc1ccc(N2CCN(C(=O)CCC3=NS(=O)(=O)c4ccc(C(F)(F)F)cc4N3)CC2)cc1 20565485 GNYXHIJZHAOYPW-UHFFFAOYSA-N 496.511 3.356 10 10 JGCE COc1ccc(/C=C2/SC(=S)N(N[C@@H]3OC(=O)c4c3ccc(OC)c4OC)C2=O)cc1OC 207329665 ZRWKCDFOADREMI-OUQXZNHLSA-N 488.543 3.296 10 10 JGCE CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)N2CCCCC2)cc1 1858074679 QLYCWPSHBRRHHR-DEOSSOPVSA-N 470.639 3.385 10 10 JGCE CC[C@@](C)(NC(=O)/C=C/c1ccc2c(c1)OCCO2)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862150962 MVTNYYLIMFCQBG-NZHJDXKMSA-N 479.577 3.113 10 10 JGCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc(OC)cc1)=C(N)O2 1864012793 JGHZKVVCTBFBQX-QKKBWIMNSA-N 478.549 3.364 10 10 JGCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864023314 XZSHUXRQNIAKSA-INIZCTEOSA-N 474.439 3.344 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)[C@H]3C[C@H]3c3ccccc3)CC2)cc1 1868901839 FRGSEZHLZFLEEF-HJOGWXRNSA-N 467.635 3.385 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cc(C4CC4)n4nc(C)cc4n3)C(C)C)CC2)cc1 1868989109 JXHIPVLRDVFUOC-RUZDIDTESA-N 490.608 3.027 10 10 JGCE CC(C)(CCNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 2200960329 DAPRDHKVGUFOOJ-INIZCTEOSA-N 481.590 3.343 10 10 JGCE CCN1C(=O)/C(=C/c2nc3ccccc3c(=O)n2CCCO)c2cc(Br)ccc21 33162104 YNMHRBKTIQMAPO-GHRIWEEISA-N 454.324 3.449 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nc(-c4ccc5c(c4)oc(=O)n5C)n4ccccc34)CC2)cc1 1858351209 JVLIUIJIWUHSBJ-UHFFFAOYSA-N 483.528 3.417 10 10 JGCE CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)n(C)c(=O)n4C)c(C)s2)cc1 1859573719 ZQOFOIYKDAWANE-UHFFFAOYSA-N 471.564 3.068 10 10 JGCE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2CCC(C)CC2)=C(N)O3)cc1 1865033748 HLEPQYFRZDZPAN-NRFANRHFSA-N 490.560 3.460 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cc(-c4cccnc4)[nH]n3)c3ccccc3)CC2)cc1 1868978626 KRYZZHUYZDQZSV-AREMUKBSSA-N 496.571 3.300 10 10 JGCE O=C(C[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179854 SFEBYUIBJWUSFA-FQEVSTJZSA-N 471.444 3.050 10 10 JGCE CCOc1cccc(N2C(=O)C(=Cc3cccn3-c3cccc(C(=O)O)c3)C(=O)NC2=S)c1 2293716003 PBUJGKIUFUWCAH-UHFFFAOYSA-N 461.499 3.406 10 10 JGCE O=C(CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1C(=O)O 2296881563 OQAWIZPSBYEYCV-UHFFFAOYSA-N 456.501 3.344 10 10 JGCE CO[C@H](CNC(=O)OC(C)(C)C)[C@@H](CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 2327089623 AEASUDDHQRKCMU-RTBURBONSA-N 452.596 3.015 10 10 JGCE O=C1c2ccc(S(=O)(=O)O)c(S(=O)(=O)O)c2C(=O)[C@@H]1c1ccc2c(ccc3ccccc32)n1 104966708 DGWSYIALHUJWQP-LJQANCHMSA-N 483.479 3.044 10 10 JGCE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c1 213173315 UGLIGFVSIDUVIV-YBEGLDIGSA-N 467.528 3.389 10 10 JGCE C[C@@H](NC(=O)c1cccc(NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1)C(=O)O 586702863 DSZYTOXBHPEBKR-CYBMUJFWSA-N 457.442 3.309 10 10 JGCE Cc1cc(C(=O)COC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c(C)n1-c1ccc2c(c1)OCCO2 800355225 CTUREJQSRUFJPZ-KOSHJBKYSA-N 470.547 3.045 10 10 JGCE Cc1cc(N(CCO)C[C@H]2CCCO2)ccc1N=Nc1cc(S(C)(=O)=O)ccc1S(C)(=O)=O 1088725830 FXIDTYULKVWEPU-GOSISDBHSA-N 495.623 3.195 10 10 JGCE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCC(=O)N(C)C)C1 1286844182 DFBWGPSPYKPOCM-JOCHJYFZSA-N 491.640 3.136 10 10 JGCE CC(=O)N1CCN([C@H]2CN(c3nnc(CC(C)(C)C)n3Cc3ccc(N(C)C)c(F)c3)C[C@@H]2C)CC1 1359398991 JAMCPJFFZSHKMU-CYFREDJKSA-N 499.679 3.109 10 10 JGCE O=C(NCCc1ccc(O)c(O)c1)c1ccc2c(c1)C(=O)N(CCc1c[nH]c3ccccc13)C2=O 1860361582 UWVLNWZYHGKZHJ-UHFFFAOYSA-N 469.497 3.390 10 10 JGCE Cc1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 1860826783 MSTBLBKRKBQAGM-BVGIJJTOSA-N 495.582 3.415 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864018058 BSAOQSCXFGJXRC-IBGZPJMESA-N 468.941 3.389 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)[C@H]1CNCCCN1C(=O)OC(C)(C)C 1952690966 IYTWQNNKGCBLDC-DLBZAZTESA-N 451.564 3.133 10 10 JGCE Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 2294095134 KTJQGFGPGFRUQR-UHFFFAOYSA-N 491.431 3.296 10 10 JGCE Cc1ccccc1NC(=O)CN1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2296714251 NWQUDYGLXFPESG-UHFFFAOYSA-N 481.555 3.026 10 10 JGCE COc1cc(C=C2SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)N1CCOCC1 2297365425 GWUMDEBGMVKGQT-UHFFFAOYSA-N 470.572 3.339 10 10 JGCE COC(=O)Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2cc(Br)ccc21 2313623733 BURIQTFCYMQTMA-UHFFFAOYSA-N 496.317 3.239 10 10 JGCE CCOC(=O)[C@@H]1CCCN(C(=O)c2cnn3c(O)c(Cc4ccc(Cl)cc4)c(C)nc23)C1 9597716 FEQZLBLSPDDKAQ-MRXNPFEDSA-N 456.930 3.403 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C(F)(F)F)on4)o3)CC2)cc1 33263928 BWDOAYWTSRVNND-UHFFFAOYSA-N 457.430 3.473 10 10 JGCE CC(=O)N1CC[C@@H](CN(C)c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCC(C)CC3)cc2)C1 1286847050 VFTNSSHEOODWMX-QHCPKHFHSA-N 495.672 3.006 10 10 JGCE COCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864007290 JZNSCRPRVOECJH-FQEVSTJZSA-N 484.940 3.093 10 10 JGCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCCCN(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008834 SXVMDAAMRWCOFD-HSZRJFAPSA-N 491.592 3.053 10 10 JGCE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864019744 PZIKYPZNGLLAEM-JOCHJYFZSA-N 474.561 3.495 10 10 JGCE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865026677 QWXAJNOXVWKSMW-OAQYLSRUSA-N 464.497 3.107 10 10 JGCE CCCC[C@@H](NC(=O)[C@H](c1ccccc1)N(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868674975 HJIYBYCGFFSLOJ-RPBOFIJWSA-N 466.626 3.322 10 10 JGCE COC(=O)c1ccccc1N1C[C@H](C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)CC1=O 1873765707 UUPYDQSWXANGNF-CYBMUJFWSA-N 456.520 3.192 10 10 JGCE COc1ccc(OC)c(N2C[C@@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2=O)c1 1874179769 OPGGBSBMDNVNQO-HNNXBMFYSA-N 470.481 3.471 10 10 JGCE CCN(CC)CCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2C 1875197297 NLRMXHPGOTZRJO-UHFFFAOYSA-N 479.629 3.083 10 10 JGCE CN(C[C@H](O)c1ccc(O)cc1)C(=O)CCN1C(=O)C(=Cc2ccccc2F)SC1=S 2297500682 SAUAHTCFKHGNJT-SFHVURJKSA-N 460.552 3.315 10 10 JGCE COc1cc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2cccc3nonc23)cc(OC)c1 8595574 VNQYLAWEENDSNW-UHFFFAOYSA-N 482.518 3.382 10 10 JGCE aggregator Cc1ccc(C)c(OCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)c1 96459742 IHMQOHMPPZEDPM-HORDIMCOSA-N 498.586 3.383 10 10 JGCE COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCc3cc(C)n(-c4ccccc4)c3C)C2=O)cc1 746430159 ZBHZAWGUNBYSJH-MHZLTWQESA-N 474.561 3.229 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(Cn4cc(Cl)cn4)cc3)cc2)CC1 1447710192 JMECYQTWYQSMOZ-UHFFFAOYSA-N 451.958 3.183 10 10 JGCE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705525452 JNAWESBKYVHGOL-FQEVSTJZSA-N 480.638 3.236 10 10 JGCE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@@H]1C)=C(N)O2 1864009407 GSVDYXTUPVOHQI-ORHBMQHOSA-N 475.549 3.376 10 10 JGCE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864012401 ZEFNVSATIUZAPS-QFIPXVFZSA-N 490.491 3.394 10 10 JGCE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864014974 HJZSPRVZPAYIQU-KRWDZBQOSA-N 488.466 3.294 10 10 JGCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCN(C)C)[C@@H]2c1ccc(O)c(O)c1 1864015683 CVESLOJQDOWGLR-OAQYLSRUSA-N 491.592 3.134 10 10 JGCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCC(C)C)[C@H]2c1ccc(O)c(O)c1 1864022086 KNEIPSPHDKYRLQ-AWEZNQCLSA-N 454.449 3.190 10 10 JGCE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)N2CCCCC2)=C(N)O3)cc1 1865034403 VYUIKJVKFASRPR-HXUWFJFHSA-N 476.533 3.214 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N(Cc1ccccc1)Cc1cn[nH]c1 2200971667 PFVMCUFGSYHENW-FQEVSTJZSA-N 466.538 3.486 10 10 JGCE Cc1sc(NS(=O)(=O)c2ccc3c(c2)OCCO3)nc1-c1ccc2c(c1)NC(=O)CO2 11857705 KULJOVLXTBCVGQ-UHFFFAOYSA-N 459.505 3.021 10 10 JGCE COC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(OC(=O)c4ccccc4)c(OC)c3)C2=O)cc1 27534268 VMFZCQTZPJEGPZ-ZHZULCJRSA-N 472.453 3.162 10 10 JGCE Cc1c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(NCc2ccccc2)n(C)c(=O)c1C#N 40066598 PMPQKJLFFCUNFU-WQRHYEAKSA-N 482.587 3.244 10 10 JGCE COc1ccc(C(=O)NN2C(=O)/C(=C/c3cccc(OCCC(=O)O)c3)SC2=S)cc1 210421838 WRJYSBDYDJXDQJ-ATVHPVEESA-N 458.517 3.095 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)N[C@H](C)c3ccc(N4CCCC4=O)cc3)CC2)cc1 726247856 ZOJACAINYDELSA-HXUWFJFHSA-N 465.598 3.004 10 10 JGCE COc1ccc(N2CCC(NC(=O)[C@H](NC(=O)NCc3ccc(F)cc3)C(C)C)CC2)cc1 726632466 WWGNQZCITYWRJF-HSZRJFAPSA-N 456.562 3.443 10 10 JGCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1084167696 IHFGZLISJRTMHT-XMMPIXPASA-N 491.613 3.263 10 10 JGCE CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cc21 1474887884 BDILFHMQQBIHQS-ROUUACIJSA-N 457.596 3.423 10 10 JGCE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864011576 VMLZKYNHWXTJPJ-DEOSSOPVSA-N 499.571 3.118 10 10 JGCE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864012070 QFTLVBWSVJSENS-FQEVSTJZSA-N 466.925 3.278 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C[C@@H]3CCCCO3)c3ccccc3)CC2)cc1 1869049962 SNQZVEGGMKHEFT-UKILVPOCSA-N 451.567 3.161 10 10 JGCE COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)SCC(=O)N2C2CC2)cc1 1891991051 QFVYZWSJFQXBCV-JWQCQUIFSA-N 481.618 3.200 10 10 JGCE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 2123373032 PDHQQWQJTDCXLN-OYHNWAKOSA-N 490.512 3.137 10 10 JGCE CN(C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C(C)(C)CNC(=O)OC(C)(C)C 2200973020 TYUWAWGKBOYQQI-INIZCTEOSA-N 481.590 3.295 10 10 JGCE Cc1ccccc1OCCOc1ccc(C=C2C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)cc1 2297352708 NUGGPZSUEJDJKO-UHFFFAOYSA-N 491.573 3.362 10 10 JGCE CCN(C(=O)CCN1C(=O)C(=Cc2ccc(C(C)C)cc2)SC1=S)[C@H]1CCS(=O)(=O)C1 2297482109 IQFBPFWEHWQWCE-SFHVURJKSA-N 480.677 3.437 10 10 JGCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3OC)C2=O)ccc1OCC(=O)O 2314933087 SLKHQPJHWDFCTF-UHFFFAOYSA-N 488.543 3.104 10 10 JGCE CCOc1cc(C=C2SC(=S)N(NC(=O)Cc3ccccc3)C2=O)ccc1OCCC(=O)O 2314935666 QGALGZIKWMYRQI-UHFFFAOYSA-N 486.571 3.414 10 10 JGCE CCOc1ccc(C=CC(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2C)cc1OC 2331400190 SUFYRLDOTKVFNB-UHFFFAOYSA-N 492.580 3.210 10 10 JGCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2ccc([N+](=O)[O-])cc2)N3)CC1 14550816 IPOPEDBCTCTDJW-JTAQYXEDSA-N 454.552 3.357 10 10 JGCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 23699418 RGKCZPFVRJTZSO-HXUWFJFHSA-N 492.041 3.236 10 10 JGCE CC[C@](C)(NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869009296 XJUTYMGUNDSCOE-NDEPHWFRSA-N 492.620 3.197 10 10 JGCE CC(=O)NCCN1C(=O)C(N[C@H]2CCCC[C@H]2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170249 SFGASONTTDHYPW-HXOBKFHXSA-N 462.594 3.478 10 10 JGCE COc1ccc(C(=O)NCCN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)cc1OC 2040496967 YIVWTYKVMBXWQT-UHFFFAOYSA-N 472.544 3.064 10 10 JGCE CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cn(Cc4ccccc4F)c4ccccc34)C(=N)N21 2297345140 VPGCOVIZOKJMPQ-UHFFFAOYSA-N 481.534 3.450 10 10 JGCE COCCN1C(=O)C(=Cc2cn(CCOc3ccc(OC)cc3)c3ccccc23)C(=O)NC1=S 2297560295 NBRHHIJPKBJAOM-UHFFFAOYSA-N 479.558 3.002 10 10 JGCE Cc1ccc2nc(N3C[C@H](C)O[C@H](C)C3)c(C=C3SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 2314401171 VHWLESRZVPKPFI-IYBDPMFKSA-N 472.636 3.474 10 10 JGCE Cc1ccc2nc(N3C[C@H](C)C[C@@H](C)C3)c(C=C3SC(=S)N(CCC(=O)O)C3=O)c(=O)n2c1 2314401482 ZYRCHKNGMCYIBQ-HUUCEWRRSA-N 486.619 3.161 10 10 JGCE CC[C@@H](Oc1ccccc1C=C1SC(=S)N([C@H](CCSC)C(=O)O)C1=O)C(=O)O 2314927483 GIZIITARQXGKRJ-CHWSQXEVSA-N 455.579 3.336 10 10 JGCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@@H]3C=CC[C@H]32)cc1OC 14479368 FPVZVSWOERXIMH-FHAGJXEFSA-N 469.607 3.466 10 10 JGCE COc1cc(/C=C2\C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)ccc1OCc1cccc(C)c1 20356643 DKVJOZCMTWOWKD-ADKREUBMSA-N 491.573 3.491 10 10 JGCE Cc1ccc2nc(NCC(C)C)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 33782420 SNDMPEXPVFNTEA-ZUZCKIMGSA-N 458.609 3.451 10 10 JGCE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 100147480 UQVNJTDTMRKZBM-XDHOZWIPSA-N 452.448 3.308 10 10 JGCE COc1cccc(/C=C2/SC(=S)N(N[C@H]3OC(=O)c4c3ccc(OC)c4OC)C2=O)c1OC 207329526 MDRDITZTRLIXHF-XATQLNLPSA-N 488.543 3.296 10 10 JGCE NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3F)SC2=S)cc1 210722641 YNOCUZAZFZIHKU-SFQUDFHCSA-N 479.580 3.093 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)NCc3ccc(OC)c(Br)c3)CC2)cc1 726191343 APPPNYXJHGCGSO-UHFFFAOYSA-N 477.403 3.088 10 10 JGCE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1705908832 ILETZTIQYIAAFO-ISKFKSNPSA-N 496.656 3.224 10 10 JGCE COCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cc(C)ccc2C)[C@@H]1c1ccc(O)c(O)c1 1864011993 OOYNCDYQUBIJGI-QHCPKHFHSA-N 492.576 3.115 10 10 JGCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2 1864013864 HSIPWZFGSUPFKI-NRFANRHFSA-N 494.596 3.000 10 10 JGCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3sccc3C)CC2)cc1 1865333512 LIXRVUDDZBVEHY-FQEVSTJZSA-N 479.606 3.150 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCCCCCCO)[nH]c(=Nc4ccccc4C)[nH]3)CC2)cc1 1871484171 HWZCWLZFYJHGIJ-UHFFFAOYSA-N 491.640 3.067 10 10 JGCE O=C(N[C@]1(c2cc(I)ccc2O)C[C@@H]1C(=O)O)OCc1ccccc1 1952774890 LZOZEKVAGUQTQC-KDOFPFPSSA-N 453.232 3.223 10 10 JGCE COc1cc(C=C2SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1ccccc1 2293591319 SZAPOJRZRVFDIL-UHFFFAOYSA-N 472.544 3.389 10 10 JGCE CCOC(=O)c1ccc(N2NC(=O)C(=Cc3ccc(N(C)C)c(Br)c3)C2=O)cc1 2297302788 ATXNEARNPPRMRP-UHFFFAOYSA-N 458.312 3.153 10 10 JGCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCc4ccc5c(c4)OCO5)cc3)C(=O)N=C2S1 2297346446 FWHULZOVWJOXMG-UHFFFAOYSA-N 498.542 3.006 10 10 JGCE CCN1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2C)C1=O 2313631639 UFEJGSOHYIHGPL-UHFFFAOYSA-N 451.483 3.084 10 10 JGCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3C)C2=O)ccc1OCC(=O)O 2314933963 XKMCQOACPLAGKI-UHFFFAOYSA-N 472.544 3.403 10 10 JGCE Cc1ccc(NC(=O)[C@H](C)N2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 2326941550 MSTBLBKRKBQAGM-AWEZNQCLSA-N 495.582 3.415 10 10 JGCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)cccc21 9066228 PSAZMQVHVCPSGC-NRFANRHFSA-N 478.501 3.393 10 10 JGCE O=C1c2ccccc2-c2onc3c(N4CCOCC4)cc(N4CCN(C(=O)c5ccco5)CC4)c1c23 9642268 NEOKOVSWECHPAH-UHFFFAOYSA-N 484.512 3.431 10 10 JGCE COc1ccc(O)c(CN2CCC3(CC2)c2ccccc2[C@@H](NC(=O)CSC)[C@@H]3OC)c1 14989226 XYTRPQLVSLWGII-RPWUZVMVSA-N 456.608 3.484 10 10 JGCE COc1ccc(N2CCN([C@H](CNC(=O)C(=O)Nc3cc(F)ccc3F)c3ccco3)CC2)cc1 38619681 JCPPHOVXCDEPGO-JOCHJYFZSA-N 484.503 3.185 10 10 JGCE O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 918438065 FEGDTNKEWIXRDB-UHFFFAOYSA-N 469.513 3.083 10 10 JGCE CC(=O)c1ccc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c(F)c1 1517867086 YWVNILHWCHGEKO-UHFFFAOYSA-N 451.477 3.214 10 10 JGCE CC(=O)N1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCSc2nccs2)[C@H](C)C1 1760607377 SKOMOAJHRYQUAD-VGSWGCGISA-N 494.687 3.015 10 10 JGCE COc1cc(/C=C2/SC(=S)N([C@H](C(=O)O)[C@@H](C)O)C2=O)ccc1OCc1ccccc1 1858596228 QDRLFHLUEUCQQZ-HXLDGMCZSA-N 459.545 3.309 10 10 JGCE Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CCNCc3ccc(N(C)C)cc3)cc2)c1C 1860708032 DMFUJZICAVDGKW-UHFFFAOYSA-N 471.583 3.277 10 10 JGCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2cccnc2)[C@H]3c2ccc(O)c(O)c2)cc1 1864008420 KBCOZIWWRYUTOL-DEOSSOPVSA-N 497.555 3.365 10 10 JGCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2 1865030351 IEDQUHQSPAKOLN-QYWGDWMGSA-N 484.597 3.233 10 10 JGCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2 1865030555 LXKJAQSMXSKLAW-QFIPXVFZSA-N 497.640 3.150 10 10 JGCE COc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)C2=O)cc1 1874017777 WFBLTIURGYIVSA-NRFANRHFSA-N 483.480 3.314 10 10 JGCE CC(=O)N1C(=O)C(=C2SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c2ccccc21 2296376866 OVIBMPSBOYHXAT-UHFFFAOYSA-N 490.566 3.154 10 10 JGCE CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(=Cc3ccc(O)c(OC)c3)SC2=S)cc1 2314827502 GKSQSIGQDOEHFO-UHFFFAOYSA-N 472.544 3.417 10 10 JGCE CCOC(=O)N1CCN(C(=O)CN2C(=O)/C(=C/C(C)=C\c3ccccc3)SC2=S)CC1 35131651 OLMRSBXOGHBGMI-DIHSMVEZSA-N 459.593 3.135 10 10 JGCE COCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccc(F)cc2)SC1=S 40066660 FUANOEQYVQWNOS-ZDLGFXPLSA-N 472.567 3.164 10 10 JGCE CC[n+]1cc(NC(=O)CSC2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccccc2)on1 104842759 PLPCRCJAUSLJCG-XSFVSMFZSA-O 477.570 3.164 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)NC[C@@H]3CCN(c4ccc(Cl)cc4)C3)CC2)cc1 726244353 FQPSRBJEIVKXSX-FQEVSTJZSA-N 472.033 3.296 10 10 JGCE Cc1ccccc1-n1nc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(O)cc1=O 1859616611 UAQAIZAQOXZJOQ-UHFFFAOYSA-N 451.438 3.274 10 10 JGCE CCN(C(=O)CN1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21)c1ccccc1 1860827087 RCZSTXVQSIJXCO-MRCUWXFGSA-N 495.582 3.132 10 10 JGCE CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1864021898 HTZGWFAOEUIGAP-CQSZACIVSA-N 454.449 3.190 10 10 JGCE COc1ccc(N2CCN(C(=O)c3ccc4nc(SCc5n[nH]c(=N)s5)[nH]c4c3)CC2)cc1 1872826157 GGKPKUFAWKXXMG-UHFFFAOYSA-N 481.607 3.090 10 10 JGCE CCOc1ccc(-n2c(C)cc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2C)cc1 2297345470 ZGAJTIGIGWBWOY-UHFFFAOYSA-N 471.564 3.114 10 10 JGCE COc1cccc(/C=C2/SC(=S)N(CCNC(=O)c3cncc(Br)c3)C2=O)c1 62060845 YZYMCMIBLIDWCC-LZYBPNLTSA-N 478.393 3.484 10 10 JGCE CCC(CC)NC(=O)CN1O[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@@H]1c1ccc(N(C)C)cc1 102543631 WJXMZXPAUDTKBE-SGNDLWITSA-N 470.614 3.032 10 10 JGCE COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1ccccc1C 207097867 GLGHVHDIEGHFOZ-ZDLGFXPLSA-N 472.544 3.307 10 10 JGCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2 1864007792 VECCPJBSWFXOIL-NRFANRHFSA-N 498.967 3.219 10 10 JGCE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC)=C(N)O2 1864009614 CGAGTELZGFIARR-FQEVSTJZSA-N 464.522 3.075 10 10 JGCE CCC[C@H](NC(=O)[C@H](c1cccnc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867274301 GCWSAJQOANISAT-UPVQGACJSA-N 484.556 3.383 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873166048 ABHRZHDNBOROOY-QHCPKHFHSA-N 462.594 3.037 10 10 JGCE O=C(NCCN1C(=O)SC(=Cc2cccnc2)C1=O)c1cccc2c1C(=O)c1ccccc1C2=O 2040500800 NZKPZOLDUQZGSC-UHFFFAOYSA-N 483.505 3.323 10 10 JGCE C[C@@H](c1ccccc1)N1C(=O)C(=Cc2c(N3CCOCC3)nc3ccccn3c2=O)SC1=S 2053511362 PXDWVAVVJVAFPX-INIZCTEOSA-N 478.599 3.494 10 10 JGCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCCOc4cccc(C)c4)cc3)C(=O)N=C2S1 2297346342 XLETVAOFHGPTBO-UHFFFAOYSA-N 498.586 3.464 10 10 JGCE CCOc1cc(C=C2C(=N)N3N=CSC3=NC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2297365980 WYHRHICXXAKBLI-UHFFFAOYSA-N 465.447 3.462 10 10 JGCE Cc1ccc2nc(NCC(C)C)c(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)c(=O)n2c1 34932269 VNONLRDRTHFBHW-DHDCSXOGSA-N 460.581 3.137 10 10 JGCE CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C(C)C)C2=O)CC1 97454742 WYVRJOTXCNISJF-GHRIWEEISA-N 486.619 3.084 10 10 JGCE Cc1nn(CC(C)C)c(Cl)c1/C=C\C(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 229971988 DITXOPRJJJVUOJ-HJWRWDBZSA-N 479.025 3.292 10 10 JGCE O=C1NC(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C/NCc1ccc2c(c1)OCO2 254876795 VBNSVFXIBRBHKW-RIYZIHGNSA-N 450.303 3.144 10 10 JGCE CN(C)CCNC(=O)c1cccc(NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 586702822 DQMHJPWAJXESRL-UHFFFAOYSA-N 456.502 3.397 10 10 JGCE CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccncc3)n2CCCSc2nccs2)C1 1301660575 AFFOQMXSMXBABW-IBGZPJMESA-N 471.656 3.207 10 10 JGCE COC(=O)[C@H](NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21)C(C)C 1616127693 YIPFWLGDWCIAQE-NOZRDPDXSA-N 474.561 3.102 10 10 JGCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2 1864014072 MXFISORNJRGNBT-NRFANRHFSA-N 488.548 3.154 10 10 JGCE CCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1 1864016925 AJACSQNRKRBAQL-OAQYLSRUSA-N 478.549 3.465 10 10 JGCE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)sc2c1CCC2 1865928172 XHIFHQRUAQQDDL-MRXNPFEDSA-N 486.590 3.460 10 10 JGCE CCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(F)c(F)c2)[nH]1 1871683024 KAVYJZJIXIKFOJ-UHFFFAOYSA-N 469.540 3.284 10 10 JGCE O=C(N[C@@H]1COCC[C@@H]1NCc1cc(Br)cc(F)c1O)OCc1ccccc1 2031532242 JFZQZHFNXXMHLH-ZWKOTPCHSA-N 453.308 3.467 10 10 JGCE CC[C@@H](O)CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2124088037 GUSMEOLBJRXRAN-UXHICEINSA-N 458.555 3.333 10 10 JGCE CCOc1ccc(C=CC(=O)N2CCC[C@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 2330600083 YIFBHUZPEFTXNL-VWLOTQADSA-N 463.578 3.447 10 10 JGCE CCOC(=O)c1ccc(N2NC(=O)/C(=C\c3cc(Br)ccc3OCC)C2=O)cc1 2907358 LETRPNVVQABNCQ-SFQUDFHCSA-N 459.296 3.486 10 10 JGCE CCCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 39990215 USDHZIINCUEEOE-BOPFTXTBSA-N 474.608 3.105 10 10 JGCE O=C(O)c1cc(O)ccc1NS(=O)(=O)c1cc(Br)sc1Br 48847208 IBIVZSMAVHMNLF-UHFFFAOYSA-N 457.121 3.478 10 10 JGCE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@@H](C(=O)NCCN4CCCCC4)[C@H]3C2)cc1 104922416 PVFKBUBNVOVWTJ-XNMGPUDCSA-N 478.637 3.173 10 10 JGCE Cc1cc(=O)oc2cc(O[C@@H]3O[C@@H]4CO[C@H](c5ccccc5)O[C@@H]4[C@H](O)[C@@H]3N=[N+]=[N-])ccc12 255989044 MYWUUBHOPGUEKN-KTGVFUQPSA-N 451.435 3.359 10 10 JGCE in-vitro CC(=O)NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(C)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526140471 SKIIRBPRACJXRR-QHCPKHFHSA-N 494.525 3.288 10 10 JGCE CN(C)c1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)N2CCCCC2)cc1 1858074536 KZFRLYMAWCPXTC-VWLOTQADSA-N 484.666 3.494 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)cc1 1862287470 QLBUDIFMSBLPJS-NRFANRHFSA-N 486.594 3.112 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccco3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873164215 RCOAFGZQOKUWDC-UHFFFAOYSA-N 488.588 3.279 10 10 JGCE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC[C@H]1CO 2178862748 CJKBUQYGFJVLGA-OXJNMPFZSA-N 476.618 3.274 10 10 JGCE Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c2C)c(C)c1 20208072 XOOJVVMGJLWCIB-WZBMNHFVSA-N 455.565 3.332 10 10 JGCE COc1ccc(N2CCN(CCCNC3=NS(=O)(=O)C(c4ccc(C)cc4)=C3C)CC2)cc1 20900810 SSHWLXSNZHNAQX-UHFFFAOYSA-N 468.623 3.278 10 10 JGCE CCCCCCN1C(=O)/C(=C\c2c(N3CCN(C)CC3)nc3ccccn3c2=O)SC1=S 33558350 XMBQDAJXJUYINC-FBMGVBCBSA-N 471.652 3.228 10 10 JGCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(F)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 254400891 QOHXTQHPPFPMJW-JOCHJYFZSA-N 465.550 3.003 10 10 JGCE CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCCCO3)n2CCCSc2nccs2)C1 1705963137 SQPXTYDWSCTTSK-MSOLQXFVSA-N 464.661 3.463 10 10 JGCE CCOc1ccc(/C=C2/SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1OC 1858590934 PKPMGVJEMLRMOB-CPNJWEJPSA-N 478.617 3.185 10 10 JGCE COc1ccc(N2CCN(C(=O)CNC(=O)c3ccc4nc(CCc5ccccc5)[nH]c4c3)CC2)cc1 1861894736 XNRTUCRMJISIJE-UHFFFAOYSA-N 497.599 3.435 10 10 JGCE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865033189 UISQKMZHEDIOSQ-OAQYLSRUSA-N 460.534 3.471 10 10 JGCE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCc3nc[nH]c3[C@@H]2C(C)C)n1 1869121299 RUINKDHDFNIWDJ-MHZLTWQESA-N 491.640 3.484 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(F)c4)cn3C[C@@H](C)O)CC2)cc1 1870615827 WBUITYRTZZSKKU-HXUWFJFHSA-N 481.568 3.278 10 10 JGCE COCCN=c1nc(Nc2ccc(Cl)cc2C)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871568354 OLGGWTPKHREBSR-UHFFFAOYSA-N 484.004 3.392 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCCCOC(C)C)nc(Nc4ccc(O)cc4)[nH]3)CC2)cc1 1871718224 FKWHMJDXCDDFQH-UHFFFAOYSA-N 493.612 3.305 10 10 JGCE C[C@H]1[C@H](NC(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)CCN1Cc1ccccc1 2200954313 YJWVCVNEABMTDL-WMQCIHAUSA-N 469.582 3.313 10 10 JGCE COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)NCCc2ccc(S(N)(=O)=O)cc2)cc1 2313682420 CCSSXFAPGBFEQZ-UHFFFAOYSA-N 490.585 3.200 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)C=Cc3ccc(OC)c(OC)c3)CC2)cc1 2328495857 IERNKYUKYMYJIM-HSZRJFAPSA-N 479.577 3.065 10 10 JGCE COCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccco2)C1=O 33529960 HNEPHWAFKVNEMJ-SFQUDFHCSA-N 470.576 3.446 10 10 JGCE CCCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 39990144 ZEBPDOFBQZYCBE-MYDYOQDRSA-N 488.635 3.207 10 10 JGCE Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2C)c1C 96460106 HYLGUAYKRPBRLB-WZBMNHFVSA-N 455.565 3.332 10 10 JGCE CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC)o2)cc1 96460271 FQRRTQBHORWGND-WQCWKDQBSA-N 486.531 3.135 10 10 JGCE C[C@@H](NC(=O)NCc1ccc(N2CCNC(=O)C2)cc1)c1ccc(OCC(F)(F)F)cc1 109039788 LHPBUFSSCMVENY-OAHLLOKOSA-N 450.461 3.124 10 10 JGCE CCOc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)ccc1OCC(=O)N(CC)CC 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Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(Cc3ccccn3)C2=O)cc1 1873169083 YEEBEHADYPBDME-UHFFFAOYSA-N 466.545 3.325 10 10 JGCE CN(C)c1ccc(CNC(=O)CN2C(=O)[C@@H]3CCCCN3c3ccc(C(=O)N4CCCC4)cc32)cc1 8610790 QLGSSOKDUJMTHT-DEOSSOPVSA-N 489.620 3.011 10 10 JGCE COc1ccccc1/C=C1\SC(=S)N(CCCC(=O)NCCCCCC(=O)O)C1=O 15040492 ZVYWTCBTSLFHEE-VKAVYKQESA-N 450.582 3.438 10 10 JGCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(OC)cc1)C(=O)NC(C)(C)C 35963982 AIIMMJZVHYZGIX-QFIPXVFZSA-N 469.586 3.168 10 10 JGCE CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(C[C@H](O)CN2CCN(C)CC2)c2ccccc12 101635738 XKPXADKPEMMNHZ-DZQSVEARSA-N 457.578 3.056 10 10 JGCE COC(=O)CCCN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S 206858227 XSPNGZCPJRBXRP-RGEXLXHISA-N 492.619 3.241 10 10 JGCE COc1ccc(/C=C2/SC(=S)N(N[C@H]3OC(=O)c4c3ccc(OC)c4OC)C2=O)c(OC)c1 207329997 YXAODTOCZKWDBR-HVRVZBDQSA-N 488.543 3.296 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)N3CCC[C@@H]3c3cccc4c3OCCO4)CC2)cc1 727476790 FNMZZUXZLDMZIN-HSZRJFAPSA-N 466.582 3.135 10 10 JGCE COc1ccc(N2CCN(CN3C(=O)N[C@](C)(c4ccc(C(F)(F)F)cc4)C3=O)CC2)cc1 917413333 BNBPJKTWWSAFPG-JOCHJYFZSA-N 462.472 3.261 10 10 JGCE CC(=O)N(C)c1ccc(S(=O)(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 1187572765 LJLBSAVQUIHHPE-INIZCTEOSA-N 453.511 3.218 10 10 JGCE CCN(CC)C(=O)N1CCN(c2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2[N+](=O)[O-])CC1 1860866673 KJUJVENKMHHPED-UHFFFAOYSA-N 468.558 3.497 10 10 JGCE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864008166 DRTGQHSSHUXICQ-IBGZPJMESA-N 452.898 3.219 10 10 JGCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864017624 QFXVWOOZPNQMES-IBGZPJMESA-N 466.925 3.473 10 10 JGCE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865032916 NTZCTMHDOVLNQM-FQEVSTJZSA-N 496.951 3.053 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCC(=O)OC4CCCCC4)cc3)CC2)cc1 1872724108 URUPAEJPZRNNAN-UHFFFAOYSA-N 488.606 3.461 10 10 JGCE CC1=NN(c2ccccc2)C(=O)C1=Cc1cn(C[C@H](O)CN2CCN(C)CC2)c2ccccc12 2297359486 XKPXADKPEMMNHZ-HSZRJFAPSA-N 457.578 3.056 10 10 JGCE CCOC(=O)CCCN1C(=O)C(=Cc2ccc(OCC(=O)N(CC)CC)c(OC)c2)SC1=S 2314761704 XMNGFJZLPLYZPT-UHFFFAOYSA-N 494.635 3.487 10 10 JGCE COc1cc(C=C2SC(=S)N(NC(=O)Cc3ccccc3)C2=O)ccc1O[C@@H](C)C(=O)O 2314930873 AIBHDSFRLOXZHR-ZDUSSCGKSA-N 472.544 3.022 10 10 JGCE COc1cccc(C(=O)NN2C(=O)C(=Cc3ccccc3OCCC(=O)O)SC2=S)c1 2314931079 BVJFMAUBNUBMTD-UHFFFAOYSA-N 458.517 3.095 10 10 JGCE COc1cccc(C=C2SC(=S)N(CCNC(=O)Cc3ccccc3[N+](=O)[O-])C2=O)c1 2318365778 OMEJIYXIYLXOQH-UHFFFAOYSA-N 457.533 3.164 10 10 JGCE COc1cccc(CN2CCC3(CC2)c2ccccc2[C@@H](NC(=O)CSC)[C@@H]3OC)c1O 12281730 JRDVROFAFJBYHG-VWNXMTODSA-N 456.608 3.484 10 10 JGCE COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(C)=O 1084610079 BWBYKWXIMLMOSF-OQLLNIDSSA-N 459.252 3.049 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3cc(C)n(-c4cccc(Cl)c4)n3)CC2)cc1 1861886353 JFFTVMBYLULGOF-GOSISDBHSA-N 481.984 3.310 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)CCc3ccc(C)c(C)c3)CC2)cc1 1861945282 OWPKLHGIOCBZTN-XMMPIXPASA-N 467.635 3.495 10 10 JGCE CCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1865027426 YDBRWSMUZBQNTC-NRFANRHFSA-N 466.513 3.353 10 10 JGCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCc1ccncc1)=C(N)O2 1865030100 CGWZMVZQDFKHLH-JOCHJYFZSA-N 491.592 3.448 10 10 JGCE CCc1sc(NC(=O)[C@H]2C[C@H](O)CN2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866041972 KTFWLUFHIWSANA-QWHCGFSZSA-N 453.358 3.188 10 10 JGCE COc1ccc(N2CCN(c3cc(N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)nc(C)n3)CC2)cc1 1867990619 QQONNOJJHNEXIX-UHFFFAOYSA-N 489.580 3.355 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cc4c(NCCN(C)C)ncnc4n3CC(C)C)CC2)cc1 1875211274 HNPOJCNKLUNSDQ-UHFFFAOYSA-N 479.629 3.032 10 10 JGCE CCN1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(Cc3ccco3)C2=O)CC1 2053512313 WTRLAOBGJNANTF-UHFFFAOYSA-N 495.630 3.139 10 10 JGCE CCOC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OCC 2313558757 IZRDSFMKBQHLBI-UHFFFAOYSA-N 490.871 3.486 10 10 JGCE Cc1ccc2nc(N3C[C@H](C)O[C@@H](C)C3)c(C=C3SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 2314401165 VHWLESRZVPKPFI-HOTGVXAUSA-N 472.636 3.474 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cnn(-c4cccc(F)c4)c3C3CCNCC3)CC2)cc1 15727020 MBAHJEDYXLLQDN-UHFFFAOYSA-N 463.557 3.449 10 10 JGCE COc1cccc(/C=C2/SC(=S)N(CCNC(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)c1 62049831 NZZZOONTYLCPOG-YBFXNURJSA-N 488.587 3.352 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)Cc3sc(CC(F)(F)F)nc3C)cc2)CC1 1138230605 ZLXWDPVMQINROB-UHFFFAOYSA-N 454.518 3.084 10 10 JGCE CCCCN1C(=O)C[C@H](C(=O)NCCc2ccc(O)c(O)c2)[C@H]1c1cccc(OC)c1OC 1860318723 IQABNYNQCKWWJR-FDDCHVKYSA-N 456.539 3.164 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)Cc3cc(OC)ccc3Cl)CC2)cc1 1861898664 WKGHXSWBVCRUSK-QFIPXVFZSA-N 490.025 3.150 10 10 JGCE C[C@H](Oc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1)C(=O)O 2314928861 CTIAQGGZYIILIK-NSHDSACASA-N 498.991 3.287 10 10 JGCE CCOc1ccc(C=CC(=O)N[C@@H](CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1OC 2330616006 QTXWUKILTUXQEE-QHCPKHFHSA-N 481.593 3.359 10 10 JGCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12 33339538 HEJSXIBLIBDCFY-XMHGGMMESA-N 495.605 3.300 10 10 JGCE COc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)ccc1OS(C)(=O)=O 33379187 LLRZOPFTXHQZAV-NTEUORMPSA-N 450.856 3.194 10 10 JGCE O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCS(=O)(=O)c1ccccc1 918590396 AEBSXSSJBZAQGY-VKAVYKQESA-N 480.658 3.320 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cc(N4CCN(C/C=C/c5ccccc5)CC4)ncn3)CC2)cc1 1858251073 DBIONLIEUAWGAM-VMPITWQZSA-N 498.631 3.283 10 10 JGCE CC(C)OCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864016170 IXESZUSGHWAWGT-FQEVSTJZSA-N 478.549 3.124 10 10 JGCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864022740 QEQHRAXHEPJYJP-DJJJIMSYSA-N 464.522 3.116 10 10 JGCE COc1cc(/C=C2/C(=O)N(Cc3ccccc3F)N=C2C)ccc1OCCN1CCOCC1 1865665721 ILPKSVATTKXZLX-RCCKNPSSSA-N 453.514 3.347 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3CCCCN3CCCC3)CC2)cc1 1870556246 ILDRJQPCMWWKGB-UHFFFAOYSA-N 454.615 3.064 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCCCCCO)nc(Nc4ccc(C)cc4)[nH]3)CC2)cc1 1871479171 MOKYGTYGVUEXHP-UHFFFAOYSA-N 477.613 3.255 10 10 JGCE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1 1952346741 OJKLDEZQSSRAPJ-DLBZAZTESA-N 451.564 3.133 10 10 JGCE CCN1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(CCC(C)C)C2=O)CC1 2040498214 FMFBSUSNGDBFIP-UHFFFAOYSA-N 485.679 3.392 10 10 JGCE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C=Cc2ccc(N3CCCCCC3)cc2)CC1 2042448368 QRYHJVNEYYHLBK-UHFFFAOYSA-N 472.611 3.218 10 10 JGCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCCOc4cccc(C)c4)cc3)C(=O)N=C2S1 20208167 XLETVAOFHGPTBO-IJFTXDGJSA-N 498.586 3.464 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cccn3-c3nnc(N4CCCCC4)s3)CC2)cc1 20980952 JEPVVPLVFIBQHR-UHFFFAOYSA-N 452.584 3.290 10 10 JGCE C[C@@H](NC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1)C(=O)O 586608833 LAHBKGVMQUGOOV-CYBMUJFWSA-N 457.442 3.309 10 10 JGCE Cc1occc1C(=O)NC1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 727476188 OVXBTXYYTUQMBC-IRXDYDNUSA-N 472.561 3.445 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c3sccc3C)CC2)cc1 1862246319 XMIIKRKJPKSRAI-QHCPKHFHSA-N 479.602 3.461 10 10 JGCE COc1ccc(N2CCN(c3nc(NC(=O)Cc4ccc(Br)cc4)n(C)n3)CC2)cc1 1869969063 CANLMEMQMPRYOK-UHFFFAOYSA-N 485.386 3.094 10 10 JGCE CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(OCC)c(OCC)c2)[nH]1 1871596319 CWNAYUWKIAVRIO-UHFFFAOYSA-N 493.612 3.023 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCc4ccccc4)[nH]c(=Nc4cccc(O)c4)[nH]3)CC2)cc1 1871714546 VHDRNDIQYPYHHU-UHFFFAOYSA-N 483.576 3.112 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccs3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873164084 LDHZUFXUVOYCQR-UHFFFAOYSA-N 490.629 3.358 10 10 JGCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCC(=O)O)C3=O)c(NCC(C)C)nc12 2296546095 MKSSGKDJULXSCW-UHFFFAOYSA-N 460.581 3.137 10 10 JGCE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc(OC)cc2)C1=O)C(=O)O 2314931947 JOGCPYQAYIXJQG-MRXNPFEDSA-N 472.544 3.483 10 10 JGCE CCn1c(N2CCOCC2)c(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c(C)c(C#N)c1=O 33474211 SDZOWKFQSULFCP-CPNJWEJPSA-N 472.636 3.419 10 10 JGCE COc1ccc(N2CCN(C(=O)Cc3c(C)nc(SCc4ccccc4)[nH]c3=O)CC2)cc1 38897519 IVQNXUMSLDCVMA-UHFFFAOYSA-N 464.591 3.271 10 10 JGCE COCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccccc2)SC1=S 40066586 OWBLSTGNWAUQRH-WQRHYEAKSA-N 454.577 3.025 10 10 JGCE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCC(=O)O)C1=O 213203505 MAZPGYJEFZLVDU-ATVHPVEESA-N 497.554 3.480 10 10 JGCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2ccncc2)[C@H]3c2ccc(O)c(O)c2)cc1 1864008905 UXIQAGOBEBFMLH-QHCPKHFHSA-N 483.528 3.306 10 10 JGCE CCC[C@H](NC(=O)C=Cc1ccc(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328477512 MXMUZXQVZVBHIH-QHCPKHFHSA-N 481.593 3.359 10 10 JGCE C[C@H](c1ccccc1)N1C(=O)/C(=C\c2c(NCCO)nc3ccccn3c2=O)SC1=S 33933499 QEIUOMASCCBLGX-INQVIGDZSA-N 452.561 3.061 10 10 JGCE N=C1/C(=C\c2ccc(Sc3ccccc3)o2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12 103610578 WLNFMVRIAAUCLL-PSZZWWBBSA-N 481.559 3.299 10 10 JGCE Cc1ccccc1-n1ncc(C(=O)NCc2ccc(N3CCNC(=O)C3)cc2)c1C(F)(F)F 106264204 JWVKIOUQOFQNBC-UHFFFAOYSA-N 457.456 3.066 10 10 JGCE C[C@H](C(=O)OCc1ccccc1)N1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860826516 FRUOIBHVANGKCQ-BVGIJJTOSA-N 496.566 3.211 10 10 JGCE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865033188 UISQKMZHEDIOSQ-NRFANRHFSA-N 460.534 3.471 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCc4cccnc4)nc(Nc4ccc(O)cc4)[nH]3)CC2)cc1 1871719306 DFUZRHFWAOKRPN-UHFFFAOYSA-N 484.564 3.085 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N(CCCCN(C)C)C2=O)cc1 1873165343 JAQADMVLNSQMBQ-UHFFFAOYSA-N 465.642 3.057 10 10 JGCE COc1ccc(N2C(=O)C(=Cc3cccn3-c3cccc(C(=O)O)c3)C(=O)NC2=S)c(OC)c1 2294265338 ZOPCTLHQWWISFK-UHFFFAOYSA-N 477.498 3.024 10 10 JGCE COc1ccc(OCC(=O)NC[C@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1 56943673 AUKUXRSENUJOPI-XMMPIXPASA-N 465.550 3.355 10 10 JGCE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864012505 BKFXEHMUKMKULS-OAQYLSRUSA-N 478.524 3.407 10 10 JGCE CCC[C@@H](NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869010174 UNXZMYQVFMNLEL-HSZRJFAPSA-N 492.620 3.197 10 10 JGCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(NCC(C)C)nc12 2296732157 AYMOISWALKDHTK-HNNXBMFYSA-N 458.609 3.451 10 10 JGCE C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 15047658 BGGVABPQJWSUNZ-XACIZNRCSA-N 486.600 3.044 10 10 JGCE COc1ccc(N2CCN(c3ncnc(Nc4ccc(Br)cn4)c3N)CC2)cc1 40727747 OCMOAFXCYIEIOQ-UHFFFAOYSA-N 456.348 3.295 10 10 JGCE COCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccccc2)C1=O 102824024 BDQAXHPBUDYVKU-QGOAFFKASA-N 466.588 3.463 10 10 JGCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)NCCc1c[nH]c2ccccc12 205943835 NENLDZNCEMWQQA-HZHRSRAPSA-N 461.478 3.448 10 10 JGCE CCCCN(C(=O)/C=C\c1c(C)nn(-c2ccccc2)c1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 229969779 JMZYHZISCPGPGD-YPKPFQOOSA-N 478.597 3.424 10 10 JGCE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1 727843049 QTVAKTLDGIQMPE-UHFFFAOYSA-N 499.681 3.395 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)N3CCO[C@H](c4ccccc4Cl)C3)CC2)cc1 728950783 CPPZCEFWPIWLNG-QHCPKHFHSA-N 458.990 3.254 10 10 JGCE CCOc1ccc(CN(C)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1OC 1318031252 HHWVXXCHBVTWEN-UHFFFAOYSA-N 456.587 3.066 10 10 JGCE CC[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861997856 WIXGXUWSRZAQKF-GJZUVCINSA-N 496.627 3.290 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3ccc4nc(C)c(C)nc4c3)CC2)cc1 1862076727 GFJHHUKFNMHRBX-XMMPIXPASA-N 491.617 3.119 10 10 JGCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2 1864013701 FOOGGBQSOMXQLV-NRFANRHFSA-N 485.629 3.055 10 10 JGCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccccc1F)[C@H]2c1ccc(O)c(O)c1 1864022343 LWVKCFPGKMTDAU-INIZCTEOSA-N 492.429 3.483 10 10 JGCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1C[C@H](C)O[C@@H](C)C1)[C@@H]2c1ccc(O)c(O)c1 1865033960 LTXUGAGCEOAIRP-MQIPJXDCSA-N 496.486 3.054 10 10 JGCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3ccc(Cl)cc3)CC2)cc1 1865082523 ZCXUZTGHZPUYKL-QFIPXVFZSA-N 493.995 3.434 10 10 JGCE CCc1nn(C)c2c1[C@H](c1ccc(C)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865189332 DZHQKAJCVXTABX-QHCPKHFHSA-N 487.604 3.343 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@@H](C)c3ccc(Br)cc3)CC2)cc1 1868829702 DYCLCOWCMAKARJ-IRXDYDNUSA-N 474.399 3.415 10 10 JGCE C[C@H]1CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccco3)C2=O)C[C@H](C)O1 2040498594 NGBRNIWBBPBCIW-GJZGRUSLSA-N 482.587 3.303 10 10 JGCE O=C1NC(=Cc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Br)cc1 2294049388 ADKWZSSDMBFYAH-UHFFFAOYSA-N 487.310 3.287 10 10 JGCE COc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc([N+](=O)[O-])c1O 2294244410 FZVYSHDEMGTZAJ-UHFFFAOYSA-N 468.274 3.447 10 10 JGCE CCC[C@H](NC(=O)C=Cc1ccc(OC)cc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330492455 XVNSLJAUTSEPHR-DEOSSOPVSA-N 481.593 3.359 10 10 JGCE COCCNC(=O)[C@@H]1C[C@H](NC/C=C/c2ccc(N(C)C)cc2)CN1Cc1ccc(Cl)cc1 19885430 GPJSYLZFNPFUGU-CBZUQNHKSA-N 471.045 3.415 10 10 JGCE COCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)C(C(=O)OC)=C1C 33525988 UMZWQSBSWXSTNN-KGENOOAVSA-N 468.481 3.162 10 10 JGCE N=[N+]=CC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 96481904 DQBSMKYUAMEYBZ-ZEQRLZLVSA-O 471.537 3.131 10 10 JGCE Cc1ccc2[nH]cc(CCn3c(C)c4c(cc3=O)N[N@@H+](c3nc5ccccc5s3)C4=O)c2c1 1082751781 NGANDXWCTXZPJK-UHFFFAOYSA-O 456.551 3.496 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)CCN(CC3CC3)C(=O)OC(C)(C)C)cc2)CC1 1634074974 XCCKTSYTMHTYHN-UHFFFAOYSA-N 458.603 3.009 10 10 JGCE CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CCCSc2nccs2)CC1 1760616054 XBUDCNUQBSPUQB-UHFFFAOYSA-N 456.641 3.485 10 10 JGCE COc1ccc(C(=O)N[C@@H](C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC 1867293964 QGBJFUFNNZPFRC-CVDCTZTESA-N 482.625 3.232 10 10 JGCE CC[C@@](C)(NC(=O)CCNc1ccccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868798042 IQXCBCLRPNEZFA-AREMUKBSSA-N 468.598 3.140 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC4CCCCC4)cn3CCNC(C)=O)CC2)cc1 1870485270 UHAZGMOWYFIMEJ-UHFFFAOYSA-N 496.652 3.274 10 10 JGCE COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCn2ccnc2)C1=O 1873165346 JCZMPDQQIYAXKZ-UHFFFAOYSA-N 461.566 3.087 10 10 JGCE COc1ccc(CCN2C(=O)NC(=O)C(=CNc3cccc(C(F)(F)F)c3)C2=O)cc1OC 2296938910 NBGOFPAIJKXCNZ-UHFFFAOYSA-N 463.412 3.340 10 10 JGCE COc1ccc(C(=O)NN2C(=O)C(=Cc3ccccc3OCCC(=O)O)SC2=S)cc1 2314931737 IDJAHOIQUQOSET-UHFFFAOYSA-N 458.517 3.095 10 10 JGCE CCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2/SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 33474916 QQKRESJYNDAVDU-IUJSCWSOSA-N 460.625 3.272 10 10 JGCE COc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c1OCC(=O)O 95927020 OIEAPTDACYAOGP-DHDCSXOGSA-N 478.935 3.358 10 10 JGCE O=C1N=C(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)S/C1=C\c1ccc(O)cc1 606629774 HZWRCUBZWGXYRO-AQTBWJFISA-N 463.968 3.022 10 10 JGCE O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NC1CCN(C(=O)CC(F)(F)F)CC1 727034544 UPAKXOYSJCUDDM-UHFFFAOYSA-N 496.452 3.285 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3c(F)ccc(Br)c3F)cc2)CC1 1154271528 RFPYVIYHCWGIPY-UHFFFAOYSA-N 452.299 3.326 10 10 JGCE COc1ccc(OCCCC(=O)N2CCC[C@@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862234249 PXUXHDIQRVZBPV-RUZDIDTESA-N 481.593 3.203 10 10 JGCE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864017077 DWCBFIIYGKHCEO-QFIPXVFZSA-N 483.528 3.252 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(OC)c4)cn3C[C@H](C)O)CC2)cc1 1870608396 DXUAXAGYYVGPDQ-NRFANRHFSA-N 493.604 3.148 10 10 JGCE COc1ccc(N2CCN(c3nc(=NC[C@@H](C)O)nc(Nc4ccc(Cl)cc4C)[nH]3)CC2)cc1 1871566663 BLACZHFXWQHQAJ-QGZVFWFLSA-N 484.004 3.127 10 10 JGCE COc1ccc(OC)c(N2C[C@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2=O)c1 1874179770 OPGGBSBMDNVNQO-OAHLLOKOSA-N 470.481 3.471 10 10 JGCE CN(Cc1ccccc1)c1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCCC(=O)O)C1=O 2053510477 FHFODKVUAKSIEG-UHFFFAOYSA-N 494.598 3.397 10 10 JGCE C[C@@H]1C[C@H](NC(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C 2200951904 OFPWLSNNKLFHJD-PVAVHDDUSA-N 479.574 3.048 10 10 JGCE Cc1sc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)nc1-c1ccc2c(c1)NC(=O)CO2 11857922 OSGOYBGBGAVDFP-UHFFFAOYSA-N 484.559 3.377 10 10 JGCE CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccsc3)n2Cc2ccc(N(C)C)c(F)c2)C1 1741020445 BSCPJOQUTYDIKU-HXUWFJFHSA-N 470.618 3.488 10 10 JGCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)CCC(=O)c3ccccc3)cc2)cc1 1859006509 DBCBMMBZPNUDQN-UHFFFAOYSA-N 495.557 3.068 10 10 JGCE CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862297225 BOSGYBRTKXSKEU-HXUWFJFHSA-N 460.918 3.114 10 10 JGCE CCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864022012 IMXHBFWWDFBFHU-INIZCTEOSA-N 489.454 3.308 10 10 JGCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccccc1 1865013544 NPXMTCBRUMEQGF-QHCPKHFHSA-N 473.577 3.263 10 10 JGCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCO)=C(N)O2 1865032996 PKZUIXOAHSRBMU-FQEVSTJZSA-N 498.967 3.035 10 10 JGCE COCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(OC)cc2)C1=O 2053511192 IZVFQDFEKHTIKR-UHFFFAOYSA-N 482.587 3.163 10 10 JGCE COc1ccc(C=C2SC(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)=NC2=O)cc1O 2328652928 GEEYHUPMJTWHDQ-UHFFFAOYSA-N 493.994 3.031 10 10 JGCE COC(=O)C1=CN(c2ccc3c(c2)OCCO3)c2cc(Br)ccc2S1(=O)=O 35511084 VDERQVJMLADJRZ-UHFFFAOYSA-N 452.282 3.160 10 10 JGCE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(N2CCOCC2)cc1 1705506462 ZCQJKRZUPBTYCZ-ILWGZMRPSA-N 494.640 3.392 10 10 JGCE CC[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861988666 KKAULTFIZKNEQU-GJZUVCINSA-N 496.627 3.290 10 10 JGCE COCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864012007 OYIRLGRQNRKWAA-OAQYLSRUSA-N 498.967 3.152 10 10 JGCE CCCC[C@H](NC(=O)Cc1sc(C)nc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868584666 JQPBWGJSEYUIRN-NRFANRHFSA-N 458.628 3.335 10 10 JGCE CCOc1cc(/C=C2/SC(=S)N(CCCC(=O)OC)C2=O)ccc1OCC(=O)N(CC)CC 40938618 VSRWIEOUIGYVQN-XMHGGMMESA-N 494.635 3.487 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)c3cccc(S(=O)(=O)Cc4ccccc4)c3)CC2)cc1 730774390 AIXJJKXCNDVLHG-UHFFFAOYSA-N 493.629 3.221 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)Nc3ccc(OC[C@H]4CCCO4)cc3)CC2)cc1 743298606 AGJUWCZSGAMHHZ-XMMPIXPASA-N 454.571 3.197 10 10 JGCE C#CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)[C@H](C)CC(N)=O 1705653539 JRVIMZSLLYCDKQ-QGZVFWFLSA-N 450.612 3.419 10 10 JGCE COc1ccc(N2CCN(C(=O)CN=c3nc(O)cc(-c4ccc(C(C)C)cc4)[nH]3)CC2)cc1 1858526651 WKPUJRIGGSVLEW-UHFFFAOYSA-N 461.566 3.164 10 10 JGCE O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S 1858592277 LMGVQOYKTQBOKT-BZFUBLJMSA-N 480.745 3.327 10 10 JGCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCOC(C)C)[C@H]2c1ccc(O)c(O)c1 1864016676 VGLUFXVQWWTCBM-FQEVSTJZSA-N 478.549 3.217 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cc(C4CC4)on3)c3ccccc3)CC2)cc1 1868975282 XSMZSMBYPRQLNZ-XMMPIXPASA-N 460.534 3.381 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCc4ccccc4)cn3C[C@@H](C)O)CC2)cc1 1870691990 XOPWWNKRPXPUOR-JOCHJYFZSA-N 477.605 3.181 10 10 JGCE CC[C@@H](CN(C)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 2200968413 DSSOTBKUEXVRDQ-IRXDYDNUSA-N 481.590 3.295 10 10 JGCE COc1ccccc1C(=O)NN1C(=O)C(=Cc2cccc(O[C@H](C)C(=O)O)c2)SC1=S 2314930735 ILTQRVPQEFIRDD-GFCCVEGCSA-N 458.517 3.093 10 10 JGCE CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4ccc(Cl)cc4)cc3)C(=O)N=C2S1 20207936 SAKBQYQSQAGIKV-ZJFZOOHOSA-N 488.934 3.180 10 10 JGCE COc1ccc(N2CCN(C(=O)CCC(=O)N3CCc4[nH]c5ccc(F)cc5c4C3)CC2)cc1 44960273 YICVFALAIHBIBF-UHFFFAOYSA-N 464.541 3.329 10 10 JGCE CCOc1cccc([C@H]2CC(c3ccc4c(c3)OCO4)=NC3(CCN(C(C)=O)CC3)N2)c1O 65298442 TZBRNPXABGTOPG-HXUWFJFHSA-N 451.523 3.382 10 10 JGCE biogenic CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4cccc(C)c4)cc3)C(=N)N21 96460210 GMYDHFCUTQCLIK-IJFTXDGJSA-N 498.586 3.464 10 10 JGCE C[C@H]1[C@H](C)CCC[C@H]1NC(=O)Cn1c(=CC(=O)C(C)(C)C)sc(=Cc2ccc(N(C)C)cc2)c1=O 254405194 XTUCJUIMBLKLHX-XQBPLPMBSA-N 497.705 3.141 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)N[C@@H](c3ccc(F)cc3)[C@@H]3CCCO3)CC2)cc1 742927943 AICBKZFJCAICSC-ZEQRLZLVSA-N 456.562 3.176 10 10 JGCE COc1cccc(/C=C/C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)c1 1858958272 BEMFQRVFGXNWQB-VGOFMYFVSA-N 481.530 3.084 10 10 JGCE COc1ccc(C(=O)N[C@@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867314438 IIYJBLKYSZSWGH-YADARESESA-N 452.599 3.223 10 10 JGCE Cc1ccc(COc2ccc(C=C3SC(=S)N([C@H](CCC(N)=O)C(=O)O)C3=O)cc2)cc1 2314541216 HOHNDDSYDWQUFV-GOSISDBHSA-N 470.572 3.494 10 10 JGCE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2cccc([N+](=O)[O-])c2)C1=O)C(=O)O 2314932467 MSMUEBLLJMCZTR-OAHLLOKOSA-N 487.515 3.383 10 10 JGCE COc1cc(C=C2SC(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)=NC2=O)ccc1O 2328652420 IZYUUVMFVUDCMC-UHFFFAOYSA-N 493.994 3.031 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)C=Cc3ccc(OC)cc3OC)CC2)cc1 2330500218 YJZGBOYCYJEFLK-XMMPIXPASA-N 479.577 3.065 10 10 JGCE CCN1C(=O)/C(=C\c2c(NC[C@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 4458242 VYYDCDJOMBDWJO-BOFQVRIASA-N 466.588 3.370 10 10 JGCE COc1ccc(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4ccc(OC)cc4)o3)CC2)cc1 6577584 QZHCOTUNPYXWKT-UHFFFAOYSA-N 470.547 3.233 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nn(-c4cccc(OC)c4)c(=O)c4ccccc34)CC2)cc1 9505600 NSMMGHSVNFNORL-UHFFFAOYSA-N 470.529 3.365 10 10 JGCE Cc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(N)=NC3=O)c3cc(Br)ccc32)cc1 54201903 UEACAVOQRVJIJR-WUKNDPDISA-N 471.336 3.042 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Cc3ccccc3)CC2)cc1 1861959396 KSWLYQVCVWNYNM-SANMLTNESA-N 473.573 3.020 10 10 JGCE CC[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861971074 IQHUWMRVTCUFHJ-SANMLTNESA-N 478.637 3.151 10 10 JGCE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864010569 NTTNWDKNXCUUHM-ZUOKHONESA-N 498.967 3.081 10 10 JGCE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC)=C(N)O2 1864013321 VUQPXEBCZBHISA-HXUWFJFHSA-N 466.513 3.265 10 10 JGCE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865025698 BXDOXNNZOMJTRQ-HSZRJFAPSA-N 497.511 3.107 10 10 JGCE CCOC(=O)c1c(NC(=O)[C@H]2C[C@@H](O)CN2)sc(C)c1-c1ccc(Br)cc1 1866042129 PXEKLOFBKCTPTC-ZIAGYGMSSA-N 453.358 3.324 10 10 JGCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCNC(=O)[C@@H]2c2ccc(F)cc2)n1 1869134433 DNFXLROBVJIYFM-SANMLTNESA-N 490.583 3.191 10 10 JGCE CCCn1c(C(=O)N2C[C@H](C)O[C@H](C)C2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873548763 JCGXGAHDZRTTTN-BGYRXZFFSA-N 492.624 3.426 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccncc3)CC2)cc1 1874642295 ALLYBYVREQWWAN-SANMLTNESA-N 483.572 3.261 10 10 JGCE CCOc1ccc(OCC(=O)NCCN2C(=O)C(=Cc3cccc(OC)c3)SC2=S)cc1 2320656179 OGOWYFDUMXDGDF-UHFFFAOYSA-N 472.588 3.490 10 10 JGCE O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC(C(=O)N2CCCC2)CC1 726719000 LLYQPLYJCPAOFJ-UHFFFAOYSA-N 450.530 3.301 10 10 JGCE COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)c(C)c1 727247019 PDWRHOMLGZQXCC-UHFFFAOYSA-N 465.578 3.404 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)C3)CC2)cc1 1858415087 TYMXRKHRVDAAAR-FQEVSTJZSA-N 485.650 3.352 10 10 JGCE CCN(CCc1ccncc1)C(=O)C1=C(N)Oc2c(c(C)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1865029708 UBWINSBRDCPFHK-HSZRJFAPSA-N 491.592 3.440 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3cc(-c4ccc(C)c(C)c4)n(C)n3)CC2)cc1 1868752378 MKCFZFSAQWCAGA-HXUWFJFHSA-N 475.593 3.180 10 10 JGCE CC[C@H](NC(=O)C[C@H](C)c1cccc(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868943862 XRQTVLFDYCQHCB-CYFREDJKSA-N 453.583 3.441 10 10 JGCE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C[C@H]2CCCO2)C1=O 1873170188 QMXVCTGXXBEKPO-JOCHJYFZSA-N 451.567 3.369 10 10 JGCE CCNC(=O)c1nn(Cc2ccc(C)cc2O)c(C(F)(F)F)c1I 2079208525 SQKVAPWXEIOVRT-UHFFFAOYSA-N 453.202 3.319 10 10 JGCE CC[C@H](C)[C@@H](NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21)C(=O)O 2297718115 IMVWAJXNWCDNLY-VVHBXYOFSA-N 474.561 3.404 10 10 JGCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3F)C2=O)ccc1OCCC(=O)O 2314931483 FZRKZLHJFCMSRJ-UHFFFAOYSA-N 476.507 3.234 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)C=Cc3ccccc3[N+](=O)[O-])CC2)cc1 2328615447 MQNBHQMFKMKDDA-QFIPXVFZSA-N 498.605 3.203 10 10 JGCE CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)c1 10958922 NOMJQBPFRDGGGS-CQSZACIVSA-N 456.454 3.431 10 10 JGCE CC(C)N1C(=O)/C(=C\c2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC1=S 33933369 QWAAZARVGZELES-FOWTUZBSSA-N 454.581 3.003 10 10 JGCE Cc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)N[C@@](C(=O)O)(c3ccccc3)[C@@H]2C1=O 102503111 OVKZTGYOZWHPCN-TVQWTUMOSA-N 469.541 3.491 10 10 JGCE CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(CN3CCOCC3)s2)cc1 170548736 LVPOZRAZRMUMII-UHFFFAOYSA-N 472.592 3.402 10 10 JGCE Oc1c(I)cc(I)cc1[C@@H](CC1CC1)N1CCNCC1 575273389 QLULLELWQCYMGD-CQSZACIVSA-N 498.146 3.348 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)N3CCC[C@@H]3c3ccc(OC)c(OC)c3)CC2)cc1 742939446 FQPOHXBBWFZWOY-HSZRJFAPSA-N 468.598 3.381 10 10 JGCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)Cc3c(Cl)cccc3Cl)cc2)CC1 1309401852 XGHSICSPVGYARY-UHFFFAOYSA-N 456.395 3.282 10 10 JGCE O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 1614466638 NXLKSHPSVGTPRB-FJGJASADSA-N 471.629 3.147 10 10 JGCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2ccncc2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008904 UXIQAGOBEBFMLH-HSZRJFAPSA-N 483.528 3.306 10 10 JGCE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NCCO)[C@@H]3c2ccc(O)c(O)c2)cc1 1864013588 DEVBUINKBODYOW-JOCHJYFZSA-N 498.539 3.062 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3snc4ccccc34)C(C)C)CC2)cc1 1869051695 DPZLTTKCTJYMEA-OAQYLSRUSA-N 452.580 3.408 10 10 JGCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3cccc(O)c3)cc1C2=O 1873858951 SPMGYQADNLCPEY-UHFFFAOYSA-N 459.410 3.271 10 10 JGCE O=C(C[C@@H]1NC(=O)N(CCc2cccc(F)c2)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874016258 DLDXVFZHPMQVGB-NRFANRHFSA-N 485.471 3.093 10 10 JGCE COC(=O)COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1OC 2294133727 DUEPCOQIIJCNKS-UHFFFAOYSA-N 452.463 3.037 10 10 JGCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(=O)O)C3=O)c(Oc3ccc(F)cc3)nc12 2296851490 GCENNTNLTOIDLE-UHFFFAOYSA-N 471.491 3.220 10 10 JGCE CCOC(=O)c1ccc(N2C(=O)C[C@H](N3C(=O)/C(=C\c4cccs4)SC3=S)C2=O)cc1 103332882 BTKKWGUHRLDKCV-BMANGOCTSA-N 472.569 3.458 10 10 JGCE CCOc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1084377182 LWAPPEGXHTYABH-YVLHZVERSA-N 488.499 3.499 10 10 JGCE CCOc1cc(C)c(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1C 1858074860 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C[C@H](CCO)N(Cc1ccccc1)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2124087250 BRHPNUVRDLZEAX-XLIONFOSSA-N 458.555 3.333 10 10 JGCE COC(=O)c1ccc(-c2ccc(C=C3C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)o2)cc1 2296073633 NSDRSTCHMMQHOH-UHFFFAOYSA-N 491.529 3.365 10 10 JGCE CCOc1cc(C=C2C(=O)NN(c3ccc(C)cc3)C2=O)cc(I)c1O 2296737747 IMPJQDWVMYJJKY-UHFFFAOYSA-N 464.259 3.165 10 10 JGCE COc1ccc(C=C2SC(=S)N(CCCC(=O)NCCCCCC(=O)O)C2=O)cc1 2314832066 YXAPCESKRWYDPX-UHFFFAOYSA-N 450.582 3.438 10 10 JGCE CCOC(=O)c1ccc(N2C(=O)C[C@H](N3C(=O)/C(=C/c4ccccc4)SC3=S)C2=O)cc1 101973928 PBUVCYKNGHQVQG-KMTKGMGQSA-N 466.540 3.397 10 10 JGCE COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I 1084424326 UCMRJHWUBZBDFY-FLIBITNWSA-N 482.274 3.270 10 10 JGCE CC(=O)N(C)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cn1 1526018277 UCURASSFNNIINR-GZTJUZNOSA-N 458.540 3.433 10 10 JGCE COc1cc(/C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)cc([N+](=O)[O-])c1O 1858594146 MXPYJVOLIORAOQ-KNGSKEOJSA-N 460.489 3.206 10 10 JGCE 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CC/C(=C\C(=O)N[C@@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)cc1 1868660251 AUVRLTUMPGCRLF-WOOAAIBNSA-N 451.567 3.351 10 10 JGCE CCCn1c(C(=O)NCCCCCO)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873574207 SOOSYDCKTNFNRE-UHFFFAOYSA-N 480.613 3.069 10 10 JGCE CC(C)[C@@H](NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21)C(=O)O 2297718191 ZLIUGHKOZTYKEI-ISKFKSNPSA-N 460.534 3.014 10 10 JGCE O=C(O)CCCNC(=O)CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2314828105 QKBOUASNEWIOIV-UHFFFAOYSA-N 457.371 3.021 10 10 JGCE CN(C)c1ccc(CNC(=O)[C@@H]2CCCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)C2)cc1 33259326 XRXAOFAWGBRBBU-HSZRJFAPSA-N 496.615 3.439 10 10 JGCE O=C(c1ccc(N/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)cc1)N1CCOCC1 100464176 XUHLZOXLTUSAPX-QGOAFFKASA-N 454.870 3.232 10 10 JGCE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccco1)[C@@H]2c1ccc(O)c(O)c1 1864015537 BOZRJROYVCYVFN-LJQANCHMSA-N 458.474 3.102 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cc(N4CCCCS4(=O)=O)ccc3Cl)CC2)cc1 1867926268 AESHOHBPDXJJKT-UHFFFAOYSA-N 463.987 3.241 10 10 JGCE CC[C@@H](NC(=O)c1n[nH]c(C)c1-c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869064644 JHDWSJIYBLDXBI-JOCHJYFZSA-N 461.566 3.251 10 10 JGCE CC(=O)NCCN1C(=O)C(NCc2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873163961 FLRVESDTTCIZTC-UHFFFAOYSA-N 456.546 3.100 10 10 JGCE CC[C@@H](C(=O)OCC(C)C)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326944872 VLRNIDULPQNUBT-AWEZNQCLSA-N 476.576 3.057 10 10 JGCE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N2CCc3cc(O)c(O)cc3C2)C1 2366905431 BNBUZPMDSJHTOK-UHFFFAOYSA-N 468.550 3.436 10 10 JGCE COc1cc(=O)n2c(c1C(=O)N1CCc3ccccc3C1)CCN(Cc1ccc(N(C)C)cc1)CC2 39379892 NDRZDFHRUWQPTH-UHFFFAOYSA-N 486.616 3.180 10 10 JGCE CCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O 39989789 ICGONOKQUGBNES-GBBOCIJVSA-N 488.635 3.207 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccc5c(c4)OCO5)cc3)C(=N)N21 96460542 GABCZZFUYLCOFK-GICBFTDPSA-N 498.542 3.006 10 10 JGCE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864010051 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GHNXRTBAXOJWRK-BOPFTXTBSA-N 458.517 3.095 10 10 JGCE CN(C)c1ccc([C@@H]2N[C@](Cc3ccc(O)cc3)(C(=O)O)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]32)cc1 248061659 QGBKJUXWUGSMSC-DFIMXKNXSA-N 491.588 3.103 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)Nc3ccccc3Cl)CC2)cc1 585200664 KMBMHSWKAZOZHS-UHFFFAOYSA-N 466.991 3.012 10 10 JGCE CCC[C@H](NC(=O)c1cc(C)n(-c2ccccc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868760158 HUQQOVKTXSCALB-DEOSSOPVSA-N 475.593 3.437 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cn(-c4ccc(C)c(Cl)c4)c(=O)cc3O)CC2)cc1 1870130521 OFFKYUJQUJQATI-UHFFFAOYSA-N 453.926 3.476 10 10 JGCE CC(=O)NC(=Cc1ccccc1)C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 2042438324 VUQIXBAHUFTKPA-UHFFFAOYSA-N 468.465 3.121 10 10 JGCE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(O)c([N+](=O)[O-])c3)C2=O)c1 2297298400 IXFPPFLKWVPYBB-UHFFFAOYSA-N 460.240 3.346 10 10 JGCE CCc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 2326941538 JMLDFNPMXYSAPA-UHFFFAOYSA-N 495.582 3.280 10 10 JGCE COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C/c1ccc2c(c1)OCO2 33248308 FCEOQSVQGRDOJX-WOJGMQOQSA-N 451.475 3.348 10 10 JGCE COc1cc(/C=C2/SC(=S)N(N3CCN(C)CC3)C2=O)ccc1OCC(=O)Nc1ccccc1 35519989 JYDMTYWSOUEVBJ-RCCKNPSSSA-N 498.630 3.076 10 10 JGCE O=C1N=C(Nc2cc(C(=O)O)cc(C(=O)O)c2)S/C1=C1\C(=O)Nc2ccc(Br)cc21 39869947 CFGLGDOYOIHKJC-YPKPFQOOSA-N 488.275 3.250 10 10 JGCE COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N3C(=O)C(=O)c4cccc2c43)S1 58978485 BBLMSRDWWWFJTR-UHFFFAOYSA-N 461.542 3.084 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3N(C(=O)OC(C)(C)C)CCC3(C)C)cc2)CC1 1625199152 QFCQAWGAVRVYJT-OAQYLSRUSA-N 458.603 3.007 10 10 JGCE CCOC(=O)c1c(NC(=O)[C@H]2C[C@H](O)CN2)sc(C)c1-c1ccc(Br)cc1 1866042128 PXEKLOFBKCTPTC-UONOGXRCSA-N 453.358 3.324 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cc(-c4ccco4)on3)C(C)C)CC2)cc1 1868636441 PFSPOOXZIGBTOF-QFIPXVFZSA-N 452.511 3.046 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCCc4ccccc4)[nH]c(=Nc4ccccc4)[nH]3)CC2)cc1 1871598472 WKJBQLMRQPETDP-UHFFFAOYSA-N 481.604 3.449 10 10 JGCE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCn2ccnc2)C1=O 1873170177 QIXJLUXLXGWYPM-UHFFFAOYSA-N 475.593 3.477 10 10 JGCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NCCCN2CCOCC2)cc1 2294769438 CFZZBOILTRZFEH-UHFFFAOYSA-N 464.566 3.041 10 10 JGCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCCOc4ccc(C)cc4)cc3)C(=O)N=C2S1 2297346070 AHXQTVMMFDNZIP-UHFFFAOYSA-N 498.586 3.464 10 10 JGCE COc1ccc(CCN2C(=O)NC(=O)C(=Cc3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)cc1OC 2297361380 HHXAZMUWEDLZRH-UHFFFAOYSA-N 490.472 3.107 10 10 JGCE CCOc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 20356700 CUISDRIRUBZQII-GESHDMKESA-N 496.505 3.162 10 10 JGCE CCCn1c(NCCc2ccccc2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 40066729 KBUAGYSXFPEOHK-UNOMPAQXSA-N 496.614 3.379 10 10 JGCE CC(=O)N(C)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(N(C)C)cc2C)CC1 1722747769 JHOGRQNBUPFPME-HSZRJFAPSA-N 454.619 3.390 10 10 JGCE CCCC[C@H](NC(=O)c1ccc(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861933161 BASIMXHAEFZGKN-QFIPXVFZSA-N 469.582 3.350 10 10 JGCE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864008749 REPZUOLMXDTHJT-QHCPKHFHSA-N 492.576 3.277 10 10 JGCE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC1CCCCCC1)[C@H]2c1ccc(O)c(O)c1 1864015360 PPIJILWCHHMNKQ-HNNXBMFYSA-N 466.460 3.384 10 10 JGCE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864019138 GUJGGKJKAFNYMV-IBGZPJMESA-N 466.925 3.473 10 10 JGCE COc1ccccc1C=C1SC(=S)N(CCC(=O)N[C@H](CO)Cc2ccccc2)C1=O 2296885321 OWXPKHGGQFIONK-SFHVURJKSA-N 456.589 3.006 10 10 JGCE COc1cc(C=C2C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)ccc1OCc1ccccc1F 2297352604 FYWUTUKDRKXSBN-UHFFFAOYSA-N 495.536 3.322 10 10 JGCE CC(/C=C1\SC(=S)N([C@H]2CC(=O)N(CCCCC(=O)O)C2=O)C1=O)=C\c1ccccc1 15051139 WSMQFINTUBUHAW-NVRWZCHRSA-N 458.561 3.217 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(c4ccc(-c5cccnc5)nn4)C3)CC2)cc1 22489253 LKWSNSWFFHEQOR-NRFANRHFSA-N 458.566 3.112 10 10 JGCE Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)n1-c1ccc(F)cc1 62694728 UBKCONDGURZPKS-UHFFFAOYSA-N 455.555 3.422 10 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LWUFERLKCSFZES-QZTJIDSGSA-N 465.344 3.337 10 10 JGCE COc1cc(C=C2C(=O)N(C)N=C2c2ccccc2)cc(I)c1OC(C)=O 2297104266 BATNTKAZTATDOW-UHFFFAOYSA-N 476.270 3.485 10 10 JGCE COc1ccc(C=C2SC(=S)N(CCC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C2=O)cc1 2297633251 KBAAVNZHBLMOHL-MSOLQXFVSA-N 495.626 3.094 10 10 JGCE C[C@H](NC(=O)[C@H](C)N1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S)C(=O)O 2314837826 XDMFUPAGPGSVJT-GJZGRUSLSA-N 470.572 3.445 10 10 JGCE COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)CO4)c(C)s2)cc1OC 11857662 ALJADTPLODWTBM-UHFFFAOYSA-N 475.548 3.292 10 10 JGCE O=C1Nc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc2S[C@@H]1C(=O)N1CCCCCC1 65021882 NVCAIRFYRDAUEH-FQEVSTJZSA-N 489.575 3.032 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)N3CCC(N4c5ccccc5C[C@H]4C)CC3)CC2)cc1 728749199 MKQXEMMTJKEHHU-JOCHJYFZSA-N 477.653 3.442 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)C3(c4ccccc4Cl)CCOCC3)CC2)cc1 730535683 CZHORPAFAJFHMD-UHFFFAOYSA-N 458.002 3.335 10 10 JGCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCNC(=O)C(C)C)CC1 1690837074 WVFASSFOMXKBMN-UHFFFAOYSA-N 491.640 3.183 10 10 JGCE CC(=O)N1CCN(c2nnc(COc3ccccc3F)n2CCCSc2nccs2)CC1 1706000581 RZRXVIJPQIPUPI-UHFFFAOYSA-N 476.603 3.304 10 10 JGCE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C(=O)Nc1ccc(Br)cn1 1860752224 NNLPMDHLNQIHEM-UHFFFAOYSA-N 450.248 3.197 10 10 JGCE CN(C)c1cccc(NC(=O)c2ccc(N3CCN(C(=O)c4ccco4)CC3)c([N+](=O)[O-])c2)c1 1860867194 UDBCVIRAYAEADM-UHFFFAOYSA-N 463.494 3.469 10 10 JGCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC1CCCC1)[C@H]2c1ccc(O)c(O)c1 1864021726 FXDNZJUXWYQZGW-HNNXBMFYSA-N 466.460 3.477 10 10 JGCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865030064 BQFOEPSFQBWKAZ-NRFANRHFSA-N 476.533 3.387 10 10 JGCE COc1ccc(OC)c(C=C2SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)c1 2296883039 KRYIDHBPISMBFP-UHFFFAOYSA-N 450.563 3.107 10 10 JGCE Cc1cccc(C)c1-n1c(C)cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c1C 2297346108 DQAOTRIFIACOTD-UHFFFAOYSA-N 455.565 3.332 10 10 JGCE Cc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1Cc1ccccc1 2297468134 RKODTNGYFUEDSI-UHFFFAOYSA-N 490.589 3.021 10 10 JGCE Cc1ccc(-c2ccc(C=C3SC(=S)N([C@@H](CCC(N)=O)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1 2314541779 QAUYPXLFQNEVKR-ZDUSSCGKSA-N 475.504 3.083 10 10 JGCE COc1ccc(C=C2SC(=S)N(CCC(=O)N3CCN(CCc4ccccn4)CC3)C2=O)cc1 2314627485 AXCHSFCKPKMELR-UHFFFAOYSA-N 496.658 3.068 10 10 JGCE CCCN1C(=O)/C(=C\c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 33742665 XZLHBKLWNJUWMF-CLEQQJOVSA-N 466.588 3.451 10 10 JGCE CN1C(=O)NC(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 96834245 IGYOXBSKJDFQLM-ZSOIEALJSA-N 460.240 3.028 10 10 JGCE CCCOc1ccc(CNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1OC 918007833 AEXLMQBTCAEPGX-HXUWFJFHSA-N 454.571 3.185 10 10 JGCE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCc2cccc(Cl)c2O)cc1 1640402698 ZTEUXSFVROSTKY-LJQANCHMSA-N 450.944 3.108 10 10 JGCE COc1ccc(N2CCN(C(=O)CN=c3nc(O)c(-c4ccc(C(C)C)cc4)c(C)[nH]3)CC2)cc1 1858531428 WWODEJYHQVBCRC-UHFFFAOYSA-N 475.593 3.472 10 10 JGCE CC[C@](C)(NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862287162 IFCFVIBYPCNMCP-DEOSSOPVSA-N 454.527 3.159 10 10 JGCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cc(C)ccc1C)=C(N)O2 1864009987 HNPYDMCRANFGSN-OAQYLSRUSA-N 462.550 3.412 10 10 JGCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2 1864014604 ZDSUVGHVXUECEL-JOCHJYFZSA-N 499.656 3.446 10 10 JGCE Cc1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n[nH]1 1866827917 OPMLMSWOZQRCHB-QFIPXVFZSA-N 494.507 3.179 10 10 JGCE COc1ccc(N2CCN(c3nc(=NC[C@H]4CCCO4)[nH]c(=Nc4cccc(C)c4C)[nH]3)CC2)cc1 1871591213 PVUFBHSKHOLUKF-HSZRJFAPSA-N 489.624 3.002 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873166212 GWXVBRPLZWAQDT-QHCPKHFHSA-N 464.610 3.284 10 10 JGCE COc1ccc(N2CCN(C(=O)c3ccc(CNS(=O)(=O)c4cccc(F)c4)cc3)CC2)cc1 1891589124 OOSJGMOVZJYODY-UHFFFAOYSA-N 483.565 3.275 10 10 JGCE CCC1(NC(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2200967316 ANSZXBOFYIZGCT-INIZCTEOSA-N 479.574 3.049 10 10 JGCE O=C(CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)Nc1cccc(C(=O)O)c1 2296881318 ADDVYGKGQOBLPI-UHFFFAOYSA-N 456.501 3.344 10 10 JGCE COCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(F)cc2)C1=O 2314414368 XIPQFTJWYQQNAG-UHFFFAOYSA-N 470.551 3.293 10 10 JGCE COc1cc(C=C2SC(=S)N(CCC(=O)Nc3nccs3)C2=O)cc(OC)c1O 2314827518 GVCKCPJJRLRNBF-UHFFFAOYSA-N 451.551 3.096 10 10 JGCE C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C3CCCC3)C2=O)C[C@@H](C)O1 33458401 OJQSCXWYECBZSW-QPWAZXNSSA-N 470.620 3.452 10 10 JGCE CC(=O)N1CC[C@@H](CN(C)c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)C1 1301666557 UXWWGTYESLCNQK-NRFANRHFSA-N 486.636 3.195 10 10 JGCE Cc1ccc(C)c(OCC(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)c1 1858957086 HHTFTIILGWIKDH-UHFFFAOYSA-N 483.546 3.058 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)/C=C/c3ccc(Br)cc3)CC2)cc1 1861949151 LCQUZRLMMIPUAO-QJXUFPCYSA-N 472.383 3.324 10 10 JGCE CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1864009706 KQBCYAUEWDAQMM-JOCHJYFZSA-N 485.629 3.192 10 10 JGCE CNC(=O)COc1cn(CCCOC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871015205 VTUUITRNLWFMHC-UHFFFAOYSA-N 450.539 3.365 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCC(C)C)nc(Nc4ccc(NC(C)=O)cc4)[nH]3)CC2)cc1 1871479260 YRNHNEGDYMUAIE-UHFFFAOYSA-N 490.612 3.399 10 10 JGCE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2cnc[nH]2)C1=O 1873169729 UIMHAPXRBRCCDC-UHFFFAOYSA-N 474.609 3.071 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCC1(NC(=O)OC(C)(C)C)CC1 2200954113 XFXVLDQNUAEQAO-INIZCTEOSA-N 479.574 3.097 10 10 JGCE CCCCN1C(=O)C(=Cc2c(N3C[C@@H](C)O[C@H](C)C3)nc3ccccn3c2=O)SC1=S 2314399656 AXCXOYWGVNTPTI-HUUCEWRRSA-N 458.609 3.309 10 10 JGCE CC(=O)N1CCc2cc(NC(=O)c3cc(NS(=O)(=O)c4cccs4)ccc3O)ccc21 1440630652 SIEFXFQTLYZKJL-UHFFFAOYSA-N 457.533 3.416 10 10 JGCE CC(=O)N(C)C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCC(=O)N(C)C)CC1 1508176694 NGIFXKFQHGRJNW-UHFFFAOYSA-N 491.640 3.278 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3cc4ccccc4n3C)CC2)cc1 1862078835 HNIVNYUJPWXCGX-QHCPKHFHSA-N 464.591 3.051 10 10 JGCE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864010512 VAEISFXCQKGOLT-HSZRJFAPSA-N 483.528 3.040 10 10 JGCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864014267 QTFNCPYNLFXSCF-HXUWFJFHSA-N 463.538 3.063 10 10 JGCE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 2294094886 CCJUUFMJKWFXJP-UHFFFAOYSA-N 473.441 3.187 10 10 JGCE CCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(C(=O)OC)cc3)c3ccccc32)SC1=S 2296710660 NGSUIZHBOGGGLK-UHFFFAOYSA-N 481.555 3.050 10 10 JGCE O=C(CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)Nc1ccc2c(c1)OCO2 2296881611 RCFDVWOIBCWXLA-UHFFFAOYSA-N 456.501 3.374 10 10 JGCE O=C(COc1cccc(C=C2C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1)Nc1ccccc1 2297578594 HHYIBBMMWAMSAH-UHFFFAOYSA-N 457.442 3.076 10 10 JGCE CCCN1C(=O)C(=Cc2c(N3C[C@H](C)O[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2314400473 NHGOWMTUAVTROQ-GASCZTMLSA-N 458.609 3.228 10 10 JGCE COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@@H](C)O4)cs2)c1 11857690 SJXXSGWBFBHCJJ-LLVKDONJSA-N 461.521 3.348 10 10 JGCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCCSCc1nc[nH]c1C 20287473 UFKDCRUUMGETKE-XSFVSMFZSA-N 484.607 3.391 10 10 JGCE O=C(CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(C(=O)O)cc1 33373216 UQYPEJMTAKTZIV-LICLKQGHSA-N 456.501 3.344 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)c3ccc(OCc4cscn4)c(OC)c3)CC2)cc1 742919661 BVLVOTOGSCMNBF-UHFFFAOYSA-N 482.606 3.291 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)CCc3ncc(-c4ccccc4F)o3)cc2)CC1 1638587184 JVZJZUJINGNOMD-UHFFFAOYSA-N 450.514 3.398 10 10 JGCE CC(C)N1C[C@H](NC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)CC1=O 1860347495 RRHPUNYKKQMGRT-GDJIYFAZSA-N 499.615 3.304 10 10 JGCE CCCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862057152 CPAORYSOTUBNJA-HSZRJFAPSA-N 451.567 3.437 10 10 JGCE COc1cc(C=C2C(=O)NN(c3cccc(Cl)c3)C2=O)cc(I)c1O 2293769030 NGOPJBFUHXSLQR-UHFFFAOYSA-N 470.650 3.120 10 10 JGCE CC(C)CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(-c4cccc(C(=O)O)c4)o3)C(=N)N21 2297345670 QXYGXRKWQCYYMG-UHFFFAOYSA-N 486.531 3.292 10 10 JGCE Cc1cccc(OCCOc2ccc(C=C3C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)cc2)c1 2297352701 NBPUMGCCFYEMEO-UHFFFAOYSA-N 491.573 3.362 10 10 JGCE COc1cccc(C(=O)NN2C(=O)C(=Cc3cccc(O[C@@H](C)C(=O)O)c3)SC2=S)c1 2314932054 SVQNZRAZYQPEBA-LBPRGKRZSA-N 458.517 3.093 10 10 JGCE CCN1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(CCC(C)C)C2=O)CC1 102824234 RBUTVGHGROIMNO-XMHGGMMESA-N 485.679 3.392 10 10 JGCE O=C(Cc1csc(Cc2cccc(Cl)c2)n1)NCc1ccc(N2CCNC(=O)C2)cc1 107797599 IKPOMBHTMYLUFR-UHFFFAOYSA-N 454.983 3.182 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)CCc3ccc(C)cc3)CC2)cc1 1861943345 XIZOYRZITQDVFU-QHCPKHFHSA-N 453.608 3.187 10 10 JGCE COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3CC(C)C)[C@H]2c2ccc(O)c(O)c2)cc1 1864009148 APCICENUDCPZTC-JOCHJYFZSA-N 478.549 3.278 10 10 JGCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2 1865030362 IKGYDWNHWDNFNH-DYESRHJHSA-N 484.597 3.115 10 10 JGCE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N3CCCCC3)CC1)=C(N)O2 1865035290 QBPXMTHBSYOIEU-JOCHJYFZSA-N 495.624 3.048 10 10 JGCE COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3CCC[C@H](C)C3)ncnc21 1873557581 SXJWQVTXMHALRA-FQEVSTJZSA-N 492.624 3.285 10 10 JGCE CCCCn1c(C(=O)NCCCOC)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873580502 WATBBVQLLRQQKI-UHFFFAOYSA-N 480.613 3.333 10 10 JGCE COc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)CC2)cc1 1891954587 URTQJNIBQPPYHD-PMACEKPBSA-N 471.623 3.324 10 10 JGCE Cc1cccc(COc2ccc(/C=C3\C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)cc2)c1 20356640 VBGCUGRWAKNLPJ-BJRGRWSZSA-N 461.547 3.483 10 10 JGCE Cc1cc(/C=C2\C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c(C)n1-c1cccc(F)c1 20356680 ZHQVASWWKKWZPX-ZQMBLQFGSA-N 452.515 3.142 10 10 JGCE COc1cc(OC)c(CN2C(=O)c3ccccc3C2=O)cc1/C=C1\C(=O)N(C2CC2)C(=S)N=C1O 33396576 NJLIUTCDUVEZEJ-ZDLGFXPLSA-N 491.525 3.129 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3csc(Cc4cccc(F)c4)n3)cc2)CC1 1296400417 REVWRLQLVVBKDQ-UHFFFAOYSA-N 452.555 3.472 10 10 JGCE CC(=O)N1CC[C@H](CN(C)c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)C1 1301666558 UXWWGTYESLCNQK-OAQYLSRUSA-N 486.636 3.195 10 10 JGCE O=C(CNC(=O)c1nc(C(F)(F)F)n2ccccc12)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868162506 IIJFOAPEGGYYRQ-UHFFFAOYSA-N 492.413 3.497 10 10 JGCE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCO[C@@H](C)C2)n1 1868254092 DEZRYKYBJHZAFJ-INIZCTEOSA-N 458.518 3.410 10 10 JGCE COCCC(=O)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nn1-c1ccccc1Cl 1869969860 WFOZJLSGLPBITJ-UHFFFAOYSA-N 470.961 3.231 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)OCC(C)C)cn3CC(C)C)CC2)cc1 1870422758 XZGJGLWGUBWMNP-UHFFFAOYSA-N 485.625 3.413 10 10 JGCE CC[C@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)c1)C(=O)O 2314926619 NQLXGNNBBFIDOH-INIZCTEOSA-N 458.517 3.180 10 10 JGCE O=C(O)COc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)c1 2314931019 KYQFSXHUOCGRAC-UHFFFAOYSA-N 493.360 3.459 10 10 JGCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)C=Cc3cccc(F)c3)cc2)cc1 2330209343 LRZCSDGJRCTGMB-UHFFFAOYSA-N 469.494 3.215 10 10 JGCE COc1ccc(N2CCN(CC(=O)Nc3cc(C)c4c(=O)oc5ccccc5c4n3)CC2)cc1 9561610 SKEHIJXKYKCWKA-UHFFFAOYSA-N 458.518 3.419 10 10 JGCE COc1cc(/C=C2/C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)ccc1OCc1ccccc1F 95544502 FYWUTUKDRKXSBN-ACKDDNJSSA-N 495.536 3.322 10 10 JGCE COc1ccc2c(c1)C=C[C@H]1[C@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@H]3[C@@H](C(=O)C(C)(C)C)N21 1565531630 BAGLFPZJZXODHC-MKWLTTDUSA-N 474.513 3.429 10 10 JGCE Nc1c(C(=O)O)cc(Nc2ccc(C(=O)O)c(SCCO)c2)c2c1C(=O)c1ccccc1C2=O 1615948065 PXUMQBAJVNHJIA-UHFFFAOYSA-N 478.482 3.269 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cnc(Cc4ccccc4F)s3)cc2)CC1 1616252863 XFFZVUBSEKWFNY-UHFFFAOYSA-N 452.555 3.472 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(F)c(F)cc3Br)cc2)CC1 1625192968 MBHZIUVYZBEDRO-UHFFFAOYSA-N 452.299 3.326 10 10 JGCE COc1ccc(N2CCN(C(=O)c3ccc(OCCN4C(=O)c5ccccc5C4=O)cc3)CC2)cc1 1858182693 INXMTNQAJLMFNA-UHFFFAOYSA-N 485.540 3.333 10 10 JGCE O=C1c2ccccc2C(=O)c2c(NC(=O)c3nn(-c4ccccc4F)c(=O)cc3O)cccc21 1859616555 QBELXHGNSQCHAY-UHFFFAOYSA-N 455.401 3.105 10 10 JGCE C[C@H]1C[C@@H](C)CN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3C)[C@H]2c2ccc(O)c(O)c2)C1 1865032121 WAAFLOXDUHGNJI-JRPNMDOOSA-N 466.460 3.049 10 10 JGCE C[C@@H](NC(=O)CCc1ncc2ccccn12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866892920 MPEOZPBJESEJSV-MRXNPFEDSA-N 466.497 3.186 10 10 JGCE CSCC[C@H](NC(=O)Cc1coc(C)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867227582 VYPZNWUEQGTEMX-FQEVSTJZSA-N 477.542 3.178 10 10 JGCE COc1cc(OC)cc(C(=O)N[C@H](C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867383283 MFPUHALKMFBKHI-CLOONOSVSA-N 482.625 3.232 10 10 JGCE CCCOc1ccc(CN2C(=O)NC(=O)C(=Cc3ccc(OC)c(OC)c3)C2=O)cc1OC 2293763609 SYPZDBBOCLYZAV-UHFFFAOYSA-N 454.479 3.163 10 10 JGCE COc1cc(N2C(=O)C(=Cc3ccc(O)c(Br)c3)C(=O)NC2=S)cc(OC)c1OC 2297534003 BEZUHQBYWJRHQC-UHFFFAOYSA-N 493.335 3.012 10 10 JGCE CCOC(=O)CN1C(=O)C(=C2SC(=S)N(c3ccccc3OC)C2=O)c2ccccc21 2313621385 ISMREHTZVYQJBS-UHFFFAOYSA-N 454.529 3.381 10 10 JGCE C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccco3)C2=O)C[C@H](C)O1 33732218 NGBRNIWBBPBCIW-CXJPLEHTSA-N 482.587 3.303 10 10 JGCE COc1cccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1 526313177 NLMDQMRTDBUCQU-HSZRJFAPSA-N 479.558 3.466 10 10 JGCE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1705660361 TVVOBDAJWUGYQR-OAQYLSRUSA-N 455.628 3.012 10 10 JGCE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](C(=O)O)C(C)C)sc(C)c1-c1ccc(OCC)cc1 1860762720 PDTDCEYHLYLFHK-GOSISDBHSA-N 476.551 3.463 10 10 JGCE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864020480 ZTQYTXJYKJXXSS-HSZRJFAPSA-N 497.555 3.311 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCC(C)C)[nH]c(=Nc4cc(C)ccc4C)[nH]3)CC2)cc1 1871668536 ZCGJBGOAMLUDMV-UHFFFAOYSA-N 461.614 3.479 10 10 JGCE CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc3ccccc23)[nH]1 1871728380 BPBKVHPGAWTEQR-UHFFFAOYSA-N 455.566 3.379 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873166288 KDRGMJNWCQNELV-QHCPKHFHSA-N 473.577 3.229 10 10 JGCE COc1ccc(N2CCN(C(=O)CN(C)c3nc4cc(OC)c(OC)cc4s3)CC2)cc1 1891958935 MKDTTYKYBGBDPT-UHFFFAOYSA-N 456.568 3.107 10 10 JGCE CCN1C(=O)C(=Cc2c(NC[C@@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2296073687 VYYDCDJOMBDWJO-QGZVFWFLSA-N 466.588 3.370 10 10 JGCE Cc1c(NC(=O)CCN2C(=O)C(=Cc3ccco3)SC2=S)c(=O)n(-c2ccccc2)n1C 2297477433 JPZOWTVLRUIEEE-UHFFFAOYSA-N 468.560 3.307 10 10 JGCE CC[C@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1=O)C(=O)O 2314933034 RKYVVGOITUACPN-HNNXBMFYSA-N 487.515 3.383 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)C=Cc3ccco3)CC2)cc1 2331416185 SWFVVVKOUJAWPB-RUZDIDTESA-N 475.545 3.083 10 10 JGCE CN(C)c1ccc(CNC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1 9276406 MWXHNKYLLGQLTJ-UHFFFAOYSA-N 454.596 3.198 10 10 JGCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCc4ccccc4F)cc3)C(=O)N=C2S1 20208277 VKDRHVGEBFCWFJ-UHHWSGGGSA-N 472.523 3.416 10 10 JGCE COc1cccc(-c2nnc(SCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n2N)c1 59805086 APBSXIJUDLVDKS-UHFFFAOYSA-N 485.525 3.174 10 10 JGCE CCOC(=O)c1c(C)n(C)c2ccc(OC)c(N/C=C3/C(=O)N=C(S)N([C@H](C)CC)C3=O)c12 102715116 ZLRYZNDIQDNQTL-POKNLVKOSA-N 472.567 3.421 10 10 JGCE CC(=O)N(C)C1CCN(c2nnc(C(C)C)n2Cc2ccc(N3CCC(CO)CC3)cc2)CC1 1690760788 ATWNCROGRRDABV-UHFFFAOYSA-N 468.646 3.106 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cn(-c4cc(Cl)ccc4C)c(=O)cc3O)CC2)cc1 1870130807 QZUPCLQHKTYNIT-UHFFFAOYSA-N 453.926 3.476 10 10 JGCE COc1ccc(N2CC[C@H](NC(=O)c3ccc4c(=O)n(-c5ccccc5)c(O)nc4c3)C2)cc1 2080511875 HQLFKXHQGZWBNY-SFHVURJKSA-N 456.502 3.109 10 10 JGCE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(I)c3)C2=O)cc1 2294095343 QNVCBDTWYPAENZ-UHFFFAOYSA-N 492.269 3.365 10 10 JGCE COc1cc(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1O 2294134251 XYVDICYPTOKBNJ-UHFFFAOYSA-N 451.660 3.483 10 10 JGCE Cc1ccc2nc(NCCO)c(C=C3SC(=S)N([C@H](C)c4ccccc4)C3=O)c(=O)n2c1 2314413551 AMQPLKNRFYXPKE-OAHLLOKOSA-N 466.588 3.370 10 10 JGCE COC(=O)C1=CN(C2CC2)c2cc(N3CCN(c4ccccc4F)CC3)c(F)cc2S1(=O)=O 33140738 JVZATWCWBRKTNC-UHFFFAOYSA-N 475.517 3.062 10 10 JGCE COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 33932114 HAHRBZRIYDLWMY-DHNIJCFSSA-N 494.519 3.377 10 10 JGCE CCOC(=O)C1=C(C)N=c2s/c(=C\C=C\c3ccco3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 59447104 WTKNFDGISGJXMU-DYVOYBDZSA-N 463.559 3.122 10 10 JGCE Cc1ccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526312398 ALNVPNKBDHAHKL-NRFANRHFSA-N 452.488 3.111 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)Nc3ccc(OC)c(N4CCCCC4=O)c3)CC2)cc1 743294138 AZSINYIVXIESQR-UHFFFAOYSA-N 481.597 3.164 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)Cc3ccc(F)cc3)CC2)cc1 1862122597 WCOWLDRNOQLSPU-SANMLTNESA-N 475.564 3.453 10 10 JGCE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864018598 OWZUKPKQTPALSH-FQEVSTJZSA-N 464.497 3.017 10 10 JGCE CCC[C@@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1F)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868820586 GEVROEQEOKMBKR-FTJBHMTQSA-N 496.627 3.432 10 10 JGCE Cc1ccc(N2C(=O)C(=CNc3ccc(N4CCOCC4)cc3)C(=O)NC2=S)cc1Cl 2297358675 RMWSSONFACSIDM-UHFFFAOYSA-N 456.955 3.229 10 10 JGCE C[C@@H]1CCCCN1C(=O)Cn1cc(C=C2C(=O)NC(=S)N(Cc3ccco3)C2=O)c2ccccc21 2297365344 TUMNMLNZTZWKRJ-QGZVFWFLSA-N 490.585 3.462 10 10 JGCE Cc1cccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCc2ccc(N(C)C)cc2)c1 64972438 YIZVLWFGJVSYIC-VWLOTQADSA-N 463.603 3.493 10 10 JGCE Cc1nc(Nc2ccc(NS(=O)(=O)c3cccc4nsnc34)cc2)cc(N2CCOCC2)n1 585432101 VGHMVWWFTCLPMT-UHFFFAOYSA-N 483.579 3.171 10 10 JGCE COc1ccc(N2CCN(C(=O)CCCCCNC(=O)N3CC(=O)Nc4ccccc43)CC2)cc1 1860355748 NCOKVGGDOOTNLC-UHFFFAOYSA-N 479.581 3.073 10 10 JGCE O=C(CNCc1cc(Cl)cc(Br)c1O)Nc1ccc(N2CCOCC2)cc1 1860721628 YRYWPJNNBXWMJO-UHFFFAOYSA-N 454.752 3.373 10 10 JGCE CCc1nc2ccc(C(=O)N3CCC[C@H]3C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2[nH]1 1861891827 VEUHTEBRNAZZLA-QHCPKHFHSA-N 461.566 3.087 10 10 JGCE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NC2CCCC2)=C(N)O3)cc1 1864022955 SMKCFNASOVSGMK-HXUWFJFHSA-N 476.533 3.260 10 10 JGCE CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])N2CCCCC2)cc1 1867870396 SYZLIXZZEMFMLH-QFIPXVFZSA-N 487.988 3.387 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3n[nH]c(C)c3-c3ccccc3)CC2)cc1 1869061829 RFTDSXRCZKDIBM-UHFFFAOYSA-N 461.566 3.251 10 10 JGCE COCCN1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2296541933 PXAZYCDKDNZZPM-HOTGVXAUSA-N 472.636 3.333 10 10 JGCE Cc1cccc(N2C(=O)C(=Cc3cn(CC(=O)N4CCCC4)c4ccccc34)C(=O)NC2=S)c1 2297462738 DHWATHHFVOAOLR-UHFFFAOYSA-N 472.570 3.403 10 10 JGCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(CCCC(=O)OC)C2=O)cc1 2314761108 PXZXDVFLBZIKKE-UHFFFAOYSA-N 450.582 3.088 10 10 JGCE COc1ccc(N2CCN([C@H](CNC(=O)C(=O)Nc3ccc(F)c(F)c3)c3ccco3)CC2)cc1 38619687 CLNKRSACGZOLJP-JOCHJYFZSA-N 484.503 3.185 10 10 JGCE CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4F)cc3)C(=N)N21 96459655 ZOUUFLLJLOGEOU-JJJWLNEWSA-N 458.496 3.026 10 10 JGCE CC(=O)N(C)C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(=O)NC(C)C)CC1 1301635009 NGKQEXUUNJFVNC-UHFFFAOYSA-N 491.640 3.324 10 10 JGCE CC(=O)N(C)C1CCN(c2nnc(-c3ccccn3)n2CCCSc2nccs2)CC1 1722746767 FKGJFTKQTZKSBJ-UHFFFAOYSA-N 457.629 3.426 10 10 JGCE COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)n(C)c(=O)n3C)cs1 1859573937 XAKIXCSGISDIGA-UHFFFAOYSA-N 464.956 3.463 10 10 JGCE COC(=O)c1ccccc1N1C[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)CC1=O 1865923948 WVGMSPZQAKSCLU-PXDATVDWSA-N 492.620 3.236 10 10 JGCE CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874180937 ZHUAYMKPYJRDGO-HXUWFJFHSA-N 462.527 3.466 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N(Cc1ccccc1)[C@@H]1CCOC1 2136264890 OAQMNXJVQIYTFR-UXHICEINSA-N 456.539 3.351 10 10 JGCE COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1I 2294095339 QMAZDACSENDHLO-UHFFFAOYSA-N 462.243 3.275 10 10 JGCE Cc1c(C(=O)O)cccc1-c1ccc(C=C2C(=O)NC(=O)N(c3cccc(C(=O)O)c3)C2=O)o1 2294440389 DPIJDJUUDBSXKS-UHFFFAOYSA-N 460.398 3.318 10 10 JGCE O=C1NC(=S)S[C@H]1CNc1ccc(Cc2ccc(NC[C@@H]3SC(=S)NC3=O)cc2)cc1 3065474 WVEYEVAOIQTVNL-IRXDYDNUSA-N 488.685 3.134 10 10 JGCE COc1ccc(N2CCN(C(=O)CCS(=O)(=O)c3ccc(Br)s3)CC2)cc1 4787755 JBFQHWPAAHWRDV-UHFFFAOYSA-N 473.414 3.032 10 10 JGCE CCCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2CCOCC2)SC1=S 33474072 ZZXULUOMPSDKET-QGOAFFKASA-N 460.625 3.276 10 10 JGCE CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1cc(Br)ccc1OCC(=O)O 101536248 HVKKPBYRSZFOAT-SXGWCWSVSA-N 459.252 3.417 10 10 JGCE CCOC(=O)c1c(NC(=O)C(=O)NCCc2cnc[nH]2)sc(C)c1-c1ccc(OCC)cc1 1860762708 OTICSLCGWHDTBF-UHFFFAOYSA-N 470.551 3.319 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)/C=C/c3ccc(F)cc3)CC2)cc1 1861953385 QHICJCZHXHLUHV-LHRVCSDGSA-N 471.598 3.434 10 10 JGCE CCCC[C@H](NC(=O)c1ccc(OC(C)=O)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862066886 XMAXCDPNHDVFDW-DEOSSOPVSA-N 467.566 3.258 10 10 JGCE CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1 1864007670 RTDUGCQBVJHEQN-NRFANRHFSA-N 464.522 3.211 10 10 JGCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCCCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1865026769 ADHJQLIMHBWKKL-QFIPXVFZSA-N 476.533 3.308 10 10 JGCE CCCCc1ccc(Nc2nc(=NCCO)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871502051 ZNEJBCIBEARTKH-UHFFFAOYSA-N 477.613 3.119 10 10 JGCE COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccc(C)cc1 2297345238 FGDQARZDOSQZRU-UHFFFAOYSA-N 484.559 3.204 10 10 JGCE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)N1CCc2cc(O)c(O)cc2C1 2341193710 HTEFESRDLCSJKK-FQEVSTJZSA-N 456.539 3.483 10 10 JGCE CCOC(=O)c1ccc(N2N=C(C)/C(=C\c3cccn3-c3ccc(S(N)(=O)=O)cc3)C2=O)cc1 33696650 SHGKVQFZXXJJKW-PXLXIMEGSA-N 478.530 3.108 10 10 JGCE COc1ccc(N2CCN([C@H](CNC(=O)COc3cccc(OC)c3)c3ccco3)CC2)cc1 56943668 OMYPBCLYTPDHPO-XMMPIXPASA-N 465.550 3.355 10 10 JGCE CCCCC1(C)OC(=O)C(=Cc2cc(I)c(O)c([N+](=O)[O-])c2)C(=O)O1 59513166 NZDHFYJPTWRQBL-UHFFFAOYSA-N 461.208 3.295 10 10 JGCE COc1ccc(/C=C2/SC(Nc3cc(C(=O)O)cc(C(=O)O)c3)=NC2=O)c(OC)c1OC 208340656 YWAZAFACMVGPJS-OQLLNIDSSA-N 458.448 3.191 10 10 JGCE CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3Br)OCO4)C2=O)cc1 1084527086 DWESLQKYIBGKHC-VGOFMYFVSA-N 459.252 3.243 10 10 JGCE COc1ccc(N2CCN(C(=O)CSc3nc(O)cc(-c4cccc(F)c4)n3)CC2)cc1 1858511189 BWTHZYDNFOKIET-UHFFFAOYSA-N 454.527 3.438 10 10 JGCE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864013121 QKECPUSMVVHLMA-QFIPXVFZSA-N 498.543 3.037 10 10 JGCE CC1CCN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@@H]2c2ccc(O)c(O)c2)CC1 1865032136 WKWYPJPKBMVIIL-FQEVSTJZSA-N 460.534 3.451 10 10 JGCE CCn1cc(OCC(=O)Nc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870758200 SFBVAMGEULUZPJ-UHFFFAOYSA-N 476.577 3.217 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)c3ccc4c(C)nn(-c5ccccc5)c4n3)CC2)cc1 742916063 BHPGMOSTEUYATH-UHFFFAOYSA-N 470.577 3.290 10 10 JGCE COc1ccc2[nH]cc(/C=C3/SC(=S)N(CCc4ccc(S(N)(=O)=O)cc4)C3=O)c2c1 1858590801 JVIQCGFKWMCFML-VXLYETTFSA-N 473.601 3.268 10 10 JGCE CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862297224 BOSGYBRTKXSKEU-FQEVSTJZSA-N 460.918 3.114 10 10 JGCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864013384 WPPJHTORECCNLO-NRFANRHFSA-N 478.524 3.407 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864019397 KBVQBXLHOIRTQP-GOSISDBHSA-N 454.914 3.330 10 10 JGCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCc3ccccc3)n4C)CC2)cc1 1873565382 BBFYTISVNITZFO-UHFFFAOYSA-N 456.550 3.234 10 10 JGCE CCN(CC)CCCCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1C 1873568114 FFEWUPYRVOVYOV-UHFFFAOYSA-N 493.656 3.155 10 10 JGCE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2163081740 WHVDBOMQIHIJIW-XMMPIXPASA-N 476.574 3.120 10 10 JGCE CCN1C(=O)C(=Cc2c(NC[C@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2296073686 VYYDCDJOMBDWJO-KRWDZBQOSA-N 466.588 3.370 10 10 JGCE O=C(O)COc1ccccc1C=C1C(=O)NC(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O 2297362475 HZPMQQBISLFIJG-UHFFFAOYSA-N 472.453 3.395 10 10 JGCE COc1ccc2c(c1OC)C(=O)O[C@H]2NN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S 2314600148 LOEADNTWFDNDOR-QGZVFWFLSA-N 473.488 3.187 10 10 JGCE C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C(=Cc2c[nH]c3ccccc23)SC1=S 2314836181 BGGVABPQJWSUNZ-GFCCVEGCSA-N 486.600 3.044 10 10 JGCE COc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)NCCCCCC(=O)O)C2=O)cc1OC 15048028 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IKGYDWNHWDNFNH-LAUBAEHRSA-N 484.597 3.115 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nonc3OCC(=O)Nc3ccc4ccccc4c3)CC2)cc1 1872679298 HWCWAZAALKBJNT-UHFFFAOYSA-N 487.516 3.211 10 10 JGCE O=C(O)c1ccc(N2C(=O)C[C@@H](N3C(=O)C(=CC=Cc4ccccc4)SC3=S)C2=O)cc1 2297460514 WEEACUNPOHWAFM-QGZVFWFLSA-N 464.524 3.474 10 10 JGCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OC 2314764656 IUYJURCWJAJSRS-UHFFFAOYSA-N 499.614 3.489 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)c3cccc4ccccc34)CC2)cc1 11796512 OBOPJTVKCQHCOZ-UHFFFAOYSA-N 467.591 3.120 10 10 JGCE O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cc(C(=O)O)ccc1C(=O)O 16922469 MDZCVWBLBDLYEN-GUSDSWBTSA-N 468.512 3.479 10 10 JGCE CCOCCCN1C(=O)/C(=C/c2c(NC[C@@H]3CCCO3)nc3ccc(C)cn3c2=O)SC1=S 33533262 XWFFCDHJECRLSR-JIHKLPAASA-N 488.635 3.222 10 10 JGCE CCn1c(/C(Cl)=C/c2cnn3ccccc23)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 729644649 ZOZUVGREECRVAU-AQTBWJFISA-N 471.970 3.462 10 10 JGCE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 1629943858 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1859005204 YJLFNVMPPZKIGR-UHFFFAOYSA-N 497.573 3.101 10 10 JGCE CCC[C@@H](NC(=O)CCCOc1ccc(OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862235115 IMARHHSDQXIFHR-RUZDIDTESA-N 483.609 3.497 10 10 JGCE COc1ccc(OCCCC(=O)N2CSC[C@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862236117 TUIWDHFGNZCIAP-DEOSSOPVSA-N 499.633 3.113 10 10 JGCE COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccc4c(c2)OCO4)C3=O)c(C(=O)O)c1 1865880863 XDPQPVMYPOMMHD-UHFFFAOYSA-N 474.425 3.171 10 10 JGCE COCn1c(C)cc(C=C2SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c1C 2294005012 KTZCGGIRMUIQDD-UHFFFAOYSA-N 468.579 3.094 10 10 JGCE CCN1C(=O)C(=Cc2c(NCc3ccc4c(c3)OCO4)nc3ccccn3c2=O)SC1=S 2296730165 BRTZVDAQAOPRJP-UHFFFAOYSA-N 466.544 3.256 10 10 JGCE Cc1ccc(S(=O)(=O)Oc2cccc(C=C3C(=O)NC(=O)N(c4ccccc4)C3=O)c2)cc1 2313541018 KLAYJIQRPWTEBC-UHFFFAOYSA-N 462.483 3.429 10 10 JGCE Cc1ccc(COc2ccccc2C=C2SC(=S)N([C@@H](CC(N)=O)C(=O)O)C2=O)cc1 2314541254 IPLVDSGYWNVZDW-INIZCTEOSA-N 456.545 3.104 10 10 JGCE O=C(Cn1nc(C(=O)O)c2ccccc2c1=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 12555796 AFQVEGWGIBMLAM-UHFFFAOYSA-N 487.855 3.162 10 10 JGCE CN(C)c1ccc(/C=C\c2nc3ccc(I)cc3c(=O)n2CCO)cc1 33432075 QNSNNHHQMVNWOG-YHYXMXQVSA-N 461.303 3.230 10 10 JGCE CC(=O)N1CCc2ccc(S(=O)(=O)NCc3ccc(N4CCC(C)CC4)cc3)cc2CC1 1661430578 RPCROPJGQHDSJF-UHFFFAOYSA-N 455.624 3.349 10 10 JGCE CCOC(=O)c1ccccc1NC(=O)COc1cccnc1NC(=O)Oc1ccc(N)cc1 1858684301 VGJMQJQLCBQEBL-UHFFFAOYSA-N 450.451 3.469 10 10 JGCE CCCc1ccc(OCC(=O)N2CSC[C@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862197790 ZVLPWOZJTYSYEU-DEOSSOPVSA-N 483.634 3.277 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)[C@H](C)Oc3ccc(Cl)cc3)CC2)cc1 1862220527 WRWUDTBVDJFXTI-FDDCHVKYSA-N 471.985 3.456 10 10 JGCE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864010771 WJRMMOSGXDFPJE-FQEVSTJZSA-N 484.915 3.417 10 10 JGCE CCc1nn(C)c2c1[C@@H](c1ccccc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865025092 RCBCSYRDCBMIAX-JOCHJYFZSA-N 473.577 3.035 10 10 JGCE COc1ccc(N2CCN(c3nc(=NC(=O)c4cccc(Cl)n4)n(C(C)(C)C)[nH]3)CC2)cc1 1869969915 ADGZQAITGGDFMS-UHFFFAOYSA-N 469.977 3.091 10 10 JGCE COCCCN1C(=O)C(NCCCn2ccnc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168317 QVJHTYPWDMYPTG-UHFFFAOYSA-N 461.566 3.087 10 10 JGCE CC[C@H](c1ccc(OC)cc1O)n1nc(C2(C)CC2)c(C(N)=O)c1I 2080031126 XSQUBEQMABNDND-GFCCVEGCSA-N 455.296 3.352 10 10 JGCE NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)C(=CC=Cc3ccccc3)SC2=S)cc1 2297460508 ROPBYRYBLDSNFT-UHFFFAOYSA-N 473.601 3.120 10 10 JGCE Cc1ccc(N2C(=O)C[C@@H](N3C(=O)C(=Cc4cccc([N+](=O)[O-])c4)SC3=S)C2=O)cc1 2297478021 ANUFPEQPXORHSO-MRXNPFEDSA-N 453.501 3.437 10 10 JGCE CCOC(=O)CN1C(=O)C(=C2SC(=S)N(c3ccc(OC)cc3)C2=O)c2ccccc21 2297616204 QDBHOJCGXTWEHW-UHFFFAOYSA-N 454.529 3.381 10 10 JGCE CC[C@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc(O)cc2)C1=O)C(=O)O 2314926336 GRSJWKLDZDMSDT-HNNXBMFYSA-N 458.517 3.180 10 10 JGCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1O[C@H](C)C(=O)O 2314934303 YXIDDPFTDHDQQX-CYBMUJFWSA-N 472.544 3.402 10 10 JGCE CCC[C@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328578008 KQDWCNWBPMZRMZ-QHCPKHFHSA-N 466.538 3.250 10 10 JGCE COc1ccc(/C=C2/SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)c(OC)c1 103039062 VYEPPADCRNVTAZ-LICLKQGHSA-N 450.563 3.107 10 10 JGCE COc1ccccc1N1C(=O)/C(=C2\C(=O)N(CN3CCN(C)CC3)c3ccccc32)SC1=S 108817011 QROWHORTRBNLNH-QZQOTICOSA-N 480.615 3.023 10 10 JGCE CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccc(N(C)C)c(F)c3)C[C@@H]2C)CC1 1749839094 JFLMSPWCEVHBDI-YADARESESA-N 499.679 3.208 10 10 JGCE COCCCN1C(=O)c2ccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2C1=O 1859466362 SRQGBZFPUAHMDQ-UHFFFAOYSA-N 468.465 3.347 10 10 JGCE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)Cc4ccncc4)CC3)ccc21 1860604679 VUBAADARAYKFBT-UHFFFAOYSA-N 453.498 3.277 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3ccc4nc(-c5ccccc5O)[nH]c4c3)CC2)cc1 1861892709 WHKUNQYTJOTBGQ-SFHVURJKSA-N 499.571 3.411 10 10 JGCE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864009318 FGNGKDYDSKIIOF-JOCHJYFZSA-N 462.550 3.312 10 10 JGCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864022460 XJJYJPPWMSKQLN-FQEVSTJZSA-N 472.586 3.139 10 10 JGCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC(C)C)[C@@H]2c1ccc(O)c(O)c1 1864022593 PNVMXDAGPLJRGF-CQSZACIVSA-N 454.449 3.188 10 10 JGCE CC(C)(NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866871426 DYLUNRCGHHODNT-QGZVFWFLSA-N 495.535 3.348 10 10 JGCE COc1cc(N)c(N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)cc1OC 2044725733 PYHRDCLKMZJOBQ-UHFFFAOYSA-N 454.568 3.142 10 10 JGCE COc1cc(C=C2C(=O)N(CC(C)C)N=C2C(F)(F)F)ccc1OCCN1CCOCC1 2332105244 LMLQSZDNDQBGBJ-UHFFFAOYSA-N 455.477 3.206 10 10 JGCE COc1cccc(N2C(=O)NC(=O)/C(=C/c3cn(CC(=O)NCc4ccco4)c4ccccc34)C2=O)c1 8575845 KZGZNFXCDRQGOX-UUYOSTAYSA-N 498.495 3.226 10 10 JGCE C[N+](C)(C)c1ccc2c(c1)OCCOCCOc1ccc([N+](C)(C)C)cc1OCCOCCO2 8664623 PWVARPYTCQVGOU-UHFFFAOYSA-N 476.614 3.342 10 10 JGCE COc1cc([C@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O 14468615 PFIVCFVWHYGMQR-LZCXECNNSA-N 497.617 3.383 10 10 JGCE COCCN(C[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H]1c1ccccc1OC)C(=O)COC 34740626 WMUJUZOPCDMJGR-RCZVLFRGSA-N 469.626 3.098 10 10 JGCE CC(C)c1ccc(OC[C@@H](O)CN(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 40315784 FMGYDRXVRLKJHI-RPWUZVMVSA-N 460.640 3.305 10 10 JGCE Cc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)c(C)n1-c1ccccc1 96460867 OEMDBADXHKSHHU-WBIXSPHCSA-N 455.565 3.494 10 10 JGCE CC(=O)N1CCN(c2cccc(NC(=O)c3ccccc3SCC(=O)NC(C)C)c2)CC1 1435912558 PVMOPEHRBKHOHD-UHFFFAOYSA-N 454.596 3.224 10 10 JGCE CC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861917229 NDRVVPIOSZFINN-IBGZPJMESA-N 460.918 3.114 10 10 JGCE CC[C@@H](NC(=O)CCCOc1ccc(C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862216005 UIJRBQPZTKUBFK-XMMPIXPASA-N 453.583 3.406 10 10 JGCE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864007080 FRSLIZSUNPJSAE-JOCHJYFZSA-N 478.549 3.218 10 10 JGCE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@H]1c1ccc(O)c(O)c1 1864010269 QYVPTMYYTNIWCR-HXUWFJFHSA-N 458.559 3.030 10 10 JGCE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864018326 INCNWRUGRMOTLM-FQEVSTJZSA-N 466.513 3.263 10 10 JGCE CCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1864019033 UPWCYQVKRQYFCB-HXUWFJFHSA-N 466.513 3.265 10 10 JGCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCc1ccc3c(c1)OCO3)[C@@H]2c1ccc(O)c(O)c1 1864020695 FJXQOWXHWHNGLV-OAQYLSRUSA-N 492.532 3.006 10 10 JGCE Cc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(Cc3ccccc3)CC1)=C(N)O2 1865027829 MBKKNHHVCROSLC-QHCPKHFHSA-N 474.561 3.316 10 10 JGCE CCN(CC)CCN1C(=O)C(NC[C@H]2CCCO2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166121 CZTVRKHXQUHUQJ-HSZRJFAPSA-N 464.610 3.284 10 10 JGCE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)C1=Cc1ccc(-c2cccc(C(=O)O)c2)o1 2295170705 ICFYVNNSVLQMHX-UHFFFAOYSA-N 451.460 3.098 10 10 JGCE Cc1ccccc1N1C(=O)C(=Cc2cc(Br)c(N3CCOCC3)o2)C(=O)NC1=S 2313562044 AENJJPGFQBBMAF-UHFFFAOYSA-N 476.352 3.018 10 10 JGCE C[C@@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc(N5CCCC5=O)cc4)n3)cc2N(C)C1=O 11857930 BBXXNGZDDWWNBW-AWEZNQCLSA-N 498.586 3.481 10 10 JGCE CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)n(-c4ccccc4)c3C)CC2)c1 25999891 XTZMRBTVNKXSDZ-UHFFFAOYSA-N 465.575 3.443 10 10 JGCE CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CC)C2=O)CC1 33342548 AHNYMPCWSACTTR-GHRIWEEISA-N 486.619 3.004 10 10 JGCE CC(=O)N1CC[C@H](CN(C)C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 1435561432 DQWKUMFFGCVSPE-QJISPJEISA-N 451.639 3.056 10 10 JGCE COc1ccc(N2CCN(C=O)CC2)cc1NS(=O)(=O)c1ccc(OC2CCCC2)cc1 1858037593 CYKJNGDQBOHTOP-UHFFFAOYSA-N 459.568 3.096 10 10 JGCE CC(=O)Nc1ccc(S(=O)(=O)NC(=S)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 1858612133 QSCQPSVSWVCGJU-UHFFFAOYSA-N 479.539 3.096 10 10 JGCE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864019312 IKPMTAGNPMOLDN-FQEVSTJZSA-N 498.967 3.016 10 10 JGCE CN(C)c1ccc([C@H](NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)c2nccn2C)cc1 1866109119 DFNPLZODQVJTPP-QHCPKHFHSA-N 483.528 3.395 10 10 JGCE CCOc1ccc(/C=C/C(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2C)cc1 1869969904 XSSGTPHODHLPIG-VGOFMYFVSA-N 462.554 3.201 10 10 JGCE CC(C)NC(=O)COc1cn(CCOCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870946324 BRAYOPLWIFAHJI-UHFFFAOYSA-N 494.592 3.116 10 10 JGCE CCc1ccc(OCCCOc2nonc2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1872681422 DZDDLEKWWAYBJC-UHFFFAOYSA-N 466.538 3.451 10 10 JGCE CCN(CC)c1ccc(C=c2sc3nc(Cc4ccc(OC)c(OC)c4)nn3c2=O)cc1 2326237914 JSMXTDMIOHITDG-UHFFFAOYSA-N 450.564 3.153 10 10 JGCE O=C(O)CCCNC(=O)CCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 15040594 ORMCOHLXTKYNAL-KAMYIIQDSA-N 471.398 3.412 10 10 JGCE Cc1cc(/C=C/C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)c(C)n1-c1ccccc1 33090436 BKGMZRWCUIFPIT-ZHACJKMWSA-N 450.564 3.035 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)[C@@H](C)Oc3ccc(F)cc3Br)CC2)cc1 742919391 HMAYLDBUJIALJN-MRXNPFEDSA-N 480.378 3.303 10 10 JGCE CC(=O)N1C[C@H]2[C@@H](NC(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)CCC[C@H]2C1 1630852591 GDCGAYYJGKZTFA-DQLDELGASA-N 450.530 3.203 10 10 JGCE NC(=O)c1c(NS(=O)(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)sc2c1CCCC2 1859479022 NOQNWAOPNFLPGK-UHFFFAOYSA-N 495.582 3.323 10 10 JGCE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccc(F)cc1)[C@H]2c1ccc(O)c(O)c1 1864015372 PSSGQFRDCJGIAG-HNNXBMFYSA-N 478.402 3.000 10 10 JGCE CCCn1nc(C)c2c1OC(N)=C(C(=O)N(CC)CCc1ccncc1)[C@@H]2c1ccc(O)c(O)c1 1865026296 LVXAUDTYNCDCKV-JOCHJYFZSA-N 477.565 3.194 10 10 JGCE CC[C@@H](NC(=O)c1ccc2oc(O)nc2c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867135051 WUDPBYWBSVOQJX-QGZVFWFLSA-N 469.453 3.456 10 10 JGCE CCN1C(=O)C(=Cc2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 2296052856 FPCKJCAXIUNSRH-INIZCTEOSA-N 452.561 3.061 10 10 JGCE CCOc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1ccccc1 2297345989 UNZPKVUIMPIHKI-UHFFFAOYSA-N 484.559 3.286 10 10 JGCE CCOCCCN1C(=O)C(=Cc2c(N3CCCC3)nc3ccc(C)cn3c2=O)SC1=S 2314400499 NVAISTHDWRAHFI-UHFFFAOYSA-N 458.609 3.231 10 10 JGCE CC[C@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccccc3OC)C2=O)c1)C(=O)O 2314930609 GPDJGURQSUICEE-INIZCTEOSA-N 472.544 3.483 10 10 JGCE COc1ccccc1C(=O)NN1C(=O)C(=Cc2ccccc2O[C@@H](C)C(=O)O)SC1=S 2314932570 WPBGIHPIGCHFHV-LBPRGKRZSA-N 458.517 3.093 10 10 JGCE C[C@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc5c(c4)OCO5)n3)cc2N(C)C1=O 11857703 MFRJBBRBONQXHN-LLVKDONJSA-N 459.505 3.083 10 10 JGCE CC(=O)N1CCCc2cc(S(=O)(=O)Nc3nc(-c4ccc5c(c4)N(C)C(=O)CO5)cs3)ccc21 11858001 CSHCKZHMBKSVNE-UHFFFAOYSA-N 498.586 3.265 10 10 JGCE O=C1N=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)S/C1=C\c1ccc(O)c([N+](=O)[O-])c1 12660616 LETJXKGJEHKCNH-PDGQHHTCSA-N 455.452 3.001 10 10 JGCE COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N[C@H](C)C(=O)O)C2=O)cc1OC 15044958 NSFXBGWCWCXZAT-KAECEXQPSA-N 466.581 3.055 10 10 JGCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc1OC 40938404 WXNVEKFXAVDISG-SFQUDFHCSA-N 466.581 3.008 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3ccc(OC(C)=O)cc3)c3ccccc3)CC2)cc1 1862066354 LESXNGWUINIULT-AREMUKBSSA-N 487.556 3.440 10 10 JGCE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864011310 GJPYJFAWLLHQSG-JOCHJYFZSA-N 490.491 3.394 10 10 JGCE CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864011419 HHZGBHVMUHFKFE-HSZRJFAPSA-N 492.576 3.197 10 10 JGCE COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccccc1C 2297345343 OJNPLOFRNINXCA-UHFFFAOYSA-N 484.559 3.204 10 10 JGCE COc1ccc(CNc2ncnc(N3CCN(c4ccc(OC)cc4)CC3)c2[N+](=O)[O-])cc1 40611150 FAIVEDWDRGCVOB-UHFFFAOYSA-N 450.499 3.341 10 10 JGCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OC 1084175221 CSQVVJOSYWWHIZ-MLPAPPSSSA-N 489.278 3.252 10 10 JGCE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1Cc1ccc(N2CCOCC2)c(F)c1 1705630599 ZQVOTYNPXPZEIE-UHFFFAOYSA-N 469.586 3.040 10 10 JGCE COc1ccc(Cl)cc1S(=O)(=O)NC1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 1858043986 FMXXPLCBCAYVOR-UHFFFAOYSA-N 470.975 3.322 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3cc4ccccc4n3C)CC2)cc1 1862075919 OWVAPJBEBRVVDC-JOCHJYFZSA-N 480.634 3.387 10 10 JGCE CCc1ccccc1OCC(=O)N[C@](C)(CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862278624 YPXGUDOZHSOKKM-AREMUKBSSA-N 453.583 3.270 10 10 JGCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCc1ccccc1Cl)[C@H]2c1ccc(O)c(O)c1 1864010448 SUJJAAXQIIQYTA-IBGZPJMESA-N 454.914 3.287 10 10 JGCE CC[C@@](C)(NC(=O)c1cc(C)n(-c2ccccc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868760682 SPZQLEPZYXVASZ-HHHXNRCGSA-N 475.593 3.437 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3ccc4oc(O)nc4c3)c3ccccc3)CC2)cc1 1868967680 KWMMCCDUVADLEK-XMMPIXPASA-N 486.528 3.362 10 10 JGCE CCCCOC(=O)COc1cn(CCC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870762488 OVUHVJXLHWDRTG-UHFFFAOYSA-N 471.598 3.311 10 10 JGCE COc1ccc(N2CCN(c3nc(=NC[C@@H](C)O)nc(Nc4ccc(C(C)C)cc4)[nH]3)CC2)cc1 1871505181 TZSCOGCWZFEFCM-LJQANCHMSA-N 477.613 3.288 10 10 JGCE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(=O)n3cc(C)ccc3nc21 1875239013 PENZNEZXUDKDIE-UHFFFAOYSA-N 459.550 3.339 10 10 JGCE O=C1C(=Cc2c(NC[C@H]3CCCO3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 2053496879 OFWHLUBQVWPLIV-CQSZACIVSA-N 468.560 3.280 10 10 JGCE COc1cc(C=C2SC(=S)N(CCC(=O)NC3CCCC3)C2=O)cc(OC)c1OC 2296881636 SQBLLJAHXHZBKB-UHFFFAOYSA-N 450.582 3.363 10 10 JGCE CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccccc4F)cc3)C(=N)N21 2297345177 ZOUUFLLJLOGEOU-UHFFFAOYSA-N 458.496 3.026 10 10 JGCE COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 33721723 ZEENKZSWJPPPKD-DGEAWOGYSA-N 490.556 3.233 10 10 JGCE CC(C)c1c(C(=O)NCc2ccc(N3CCNC(=O)C3)cc2)cnn1-c1ccc(C(F)(F)F)cn1 46718256 YTMUGYKBOBKHIY-UHFFFAOYSA-N 486.498 3.276 10 10 JGCE Cc1nc(N2CCCCC2)ncc1-c1ccnc(N2CCN(c3ccc4c(c3)OCO4)CC2)n1 54202124 DGKOVOWOJDBOSQ-UHFFFAOYSA-N 459.554 3.288 10 10 JGCE Cc1ccc(S(=O)(=O)N2CCCN(C(=O)CN3CCCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1 59074283 PCAXISUCFJXDOZ-VWLOTQADSA-N 470.639 3.079 10 10 JGCE COc1ccc(N2CCCN(C(=O)Nc3ccc(S(=O)(=O)C[C@@H]4CCCO4)cc3)CC2)cc1 731401323 MDPKCPSLRADWGG-QFIPXVFZSA-N 473.595 3.392 10 10 JGCE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864008540 MHAQMSMAZYSJOK-HSZRJFAPSA-N 483.528 3.057 10 10 JGCE CCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1 1864017475 NDBSTDZZHSFQIY-HXUWFJFHSA-N 464.522 3.075 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCCc3ccc4c(c3)OCCO4)C(C)C)CC2)cc1 1868727618 SZGZIGBXQDRFJA-MHZLTWQESA-N 495.620 3.279 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cc4c(NCCCOC(C)C)ncnc4n3C)CC2)cc1 1875197941 YYPNXHITVWZNRY-UHFFFAOYSA-N 466.586 3.166 10 10 JGCE COCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCc2ccccc2)C1=O 2053498209 VSQKPQFTMWEEDP-UHFFFAOYSA-N 466.588 3.197 10 10 JGCE Cc1ccc(N2C(=O)NC(=O)C(=CNc3cccc4c3C(=O)[C@H]3C=CC=C[C@@H]3C4=O)C2=O)cc1 2297511144 AZMOJJDYAQZQGS-IRXDYDNUSA-N 453.454 3.311 10 10 JGCE CC[C@H](Oc1cccc(C=C2SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)c1)C(=O)O 2314930551 FSJWVLWLDVDKFQ-KRWDZBQOSA-N 492.600 3.332 10 10 JGCE CC[C@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OC)C(=O)O 2314931338 FKWZWRVMJPMTAD-HNNXBMFYSA-N 472.544 3.483 10 10 JGCE COc1ccc(-c2nnc3ccc(N4CCC(C(=O)NCc5ccc(N(C)C)cc5)CC4)nn23)cc1 33260084 CCVKBGNIHOJFDQ-UHFFFAOYSA-N 485.592 3.399 10 10 JGCE CCC1=NN2C(=N)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)c(OC)c3)C(=O)N=C2S1 34707135 VGNJPHVHOUXVPI-AJKGDLJRSA-N 470.532 3.492 10 10 JGCE CCN(CCc1ccncc1)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1C 1873544072 OUKJFXUVHASNDN-UHFFFAOYSA-N 499.619 3.403 10 10 JGCE CCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 2040498977 RFYZNBXLQPONQR-UHFFFAOYSA-N 477.615 3.242 10 10 JGCE CC(C)(C)OC(=O)N1CCN(c2cc3c(cc2N)OCCO3)CCN1C(=O)OC(C)(C)C 2044762487 LXPYZMIUDUUXSJ-UHFFFAOYSA-N 450.536 3.249 10 10 JGCE COCCN1C(=O)C(=Cc2c(NCCCOC(C)C)nc3ccc(C)cn3c2=O)SC1=S 2296846607 DEWSXBGBVKELPQ-UHFFFAOYSA-N 476.624 3.078 10 10 JGCE CN1C(=O)C(=Cc2ccc(C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)O)cc2)SC1=S 2297580278 YVNNYVRIAVJWHZ-GOSISDBHSA-N 465.556 3.425 10 10 JGCE NS(=O)(=O)c1ccc(CCN2C(=O)C(=Cc3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1 2323840685 KYDQROUDCSTPBR-UHFFFAOYSA-N 483.980 3.340 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4cccc(C)c4)cc3)C(=N)N21 20206468 GMYDHFCUTQCLIK-FBIWUZAXSA-N 498.586 3.464 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)C(=N)N21 96460549 GBIANUNADQOBLL-WBIXSPHCSA-N 455.565 3.414 10 10 JGCE C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@H]3Cc4ccccc4S3)cc2F)C[C@@H](C)O1 918933238 BTVKYTSCMNUKOV-ZMPRRUGASA-N 458.555 3.316 10 10 JGCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NC[C@@H]4CCCO4)c4ccccc34)[C@H]21 1860345240 WKXZNXWFWMEELU-QYBDOPJKSA-N 458.562 3.474 10 10 JGCE Cc1ccc(CNC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3C)[C@@H]2c2ccc(O)c(O)c2)cc1 1864015432 RCPIEBWTPQIGTF-INIZCTEOSA-N 474.439 3.170 10 10 JGCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCOc3ccccc31)[C@H]2c1ccc(O)c(O)c1 1865035454 UGKVVBZSNPYAGM-NRFANRHFSA-N 476.533 3.387 10 10 JGCE CCN1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3cccnc3)n2)CC1 1868004337 VAXUCMICKOSITO-UHFFFAOYSA-N 459.598 3.016 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 2200951937 DYXWEXSSHXBXFS-RTWAWAEBSA-N 469.582 3.172 10 10 JGCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4ccc(F)cc4)cc3)C(=O)N=C2S1 20208497 VLXYYXXMWKSDPR-NBDIUVDISA-N 486.506 3.056 10 10 JGCE COc1ccccc1Oc1nc(N2CCOCC2)nc2c1CN(Cc1cccc(OC)c1O)CC2 34755881 ANUPQTJWWQRAMA-UHFFFAOYSA-N 478.549 3.387 10 10 JGCE CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2CC(=O)NC2CCCCC2)cc1 43252808 PBIPAMUOEKSWJT-NXCFDTQHSA-N 490.604 3.044 10 10 JGCE O=C(O)CCNC(=O)c1cccc(NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 586699053 KNMMMCGYALROGO-UHFFFAOYSA-N 457.442 3.311 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)Cc3csc(-n4c(C)ccc4C)n3)CC2)cc1 742919333 FMCHTPZLVQHHAQ-UHFFFAOYSA-N 453.612 3.040 10 10 JGCE CC(=O)N1CCN([C@@H]2CN(c3nnc(CC(C)(C)C)n3Cc3ccc(N(C)C)cc3C)C[C@H]2C)CC1 1286887741 UFFMQKOGULCBQT-PXDATVDWSA-N 495.716 3.278 10 10 JGCE CCCC[C@H](NC(=O)Cc1ccc(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862305560 UNXRDSCAZTUJCB-QHCPKHFHSA-N 483.609 3.279 10 10 JGCE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864018664 QIKSNLLNXGGAOK-FQEVSTJZSA-N 466.513 3.263 10 10 JGCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@H](C)CC)[C@H]2c1ccc(O)c(O)c1 1864022925 RPQDHLPPCBIVAY-YGRLFVJLSA-N 454.449 3.332 10 10 JGCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1C[C@H](C)C[C@@H](C)C1)[C@H]2c1ccc(O)c(O)c1 1865035377 RWFABTUBAUERLB-SXGZJXTBSA-N 454.571 3.466 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)CCc3ccccc3F)CC2)cc1 1868595825 DBFOKSRTDNVAPN-QHCPKHFHSA-N 473.614 3.354 10 10 JGCE CCn1cc(OCc2ccc(C(=O)OC)o2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870558068 SIFSBNHJMQHUND-UHFFFAOYSA-N 481.549 3.158 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1CC[C@H]1NC(=O)OCc1ccccc1 2136245437 TULPNJBORNVZCU-ZCNNSNEGSA-N 499.564 3.107 10 10 JGCE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(I)c3)C2=O)c1 2294094897 CMYTTYQVEHHFKK-UHFFFAOYSA-N 462.243 3.280 10 10 JGCE CCOc1ccc(Br)cc1C=C1C(=O)N(c2ccc(S(N)(=O)=O)cc2)N=C1C 2297313828 LNRFGCIEMPUNDC-UHFFFAOYSA-N 464.341 3.301 10 10 JGCE C[C@H](Oc1cccc(C=C2SC(=S)N(NS(=O)(=O)c3ccc(Cl)cc3)C2=O)c1)C(=O)O 2314932030 SRRSVLVFMLNAHC-NSHDSACASA-N 498.991 3.287 10 10 JGCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccccc2[N+](=O)[O-])N3)CC1 14478089 JQMVLGFBDOSUMM-PMAPCBKXSA-N 454.552 3.357 10 10 JGCE Cc1cc(C)cc(OCCOc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c1 20207727 CUAQULLNVGBEBX-HRGNJQJKSA-N 498.586 3.383 10 10 JGCE CCOc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c1C 96460143 YDMWUKWPBXMYMV-AZAZKDLZSA-N 471.564 3.114 10 10 JGCE CCOc1cc(/C=C2\SC(=S)N(CCC(=O)OC)C2=O)ccc1OCC(=O)N1CCCCC1 206835580 ILNVOIOZFUBGKW-RGEXLXHISA-N 492.619 3.241 10 10 JGCE CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 915840724 GAJOOVWGHZEJNS-CLYVBNDRSA-N 497.592 3.325 10 10 JGCE CC(=O)N1C[C@H]2[C@@H](NC(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)CCC[C@H]2C1 1632441595 JHDMWHGVVAZPSP-NLEAXPPASA-N 450.530 3.203 10 10 JGCE CC[C@@](C)(NC(=O)/C=C/c1cc(OC)ccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862241126 SDBHMFMUDBZMQO-AXVLYVPRSA-N 481.593 3.359 10 10 JGCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCC(C)C)[C@H]3c2ccc(O)c(O)c2)cc1 1864007981 YTZMAXOZBXVMRB-QFIPXVFZSA-N 478.549 3.457 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864019027 UPIHVDVDTQXESP-LJQANCHMSA-N 468.941 3.389 10 10 JGCE CN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1865031369 FJLPWTSJQNFVPU-QFIPXVFZSA-N 498.539 3.096 10 10 JGCE COc1ccc(N2CCN(c3nc(NC(=O)[C@@H]4CCCO4)n(-c4ccccc4Cl)n3)CC2)cc1 1869969876 WXIRXZKQSGMCOM-NRFANRHFSA-N 482.972 3.373 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N(Cc3ccncc3)C2=O)cc1 1873165057 ADAOZPMQWOHCTL-UHFFFAOYSA-N 457.578 3.311 10 10 JGCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCc4ccccc4)C3=O)c(NCCO)nc12 2040503185 LRUUNIRLKXLUSD-UHFFFAOYSA-N 480.615 3.241 10 10 JGCE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(c2cc3c(cc2N)OCCO3)CC1 2236201995 URMUCJRXGBFKHS-UHFFFAOYSA-N 478.590 3.334 10 10 JGCE CC(C)N1C(=O)C(=C2C(=O)N(CC(=O)NCCc3ccccc3)c3ccccc32)SC1=S 2296711382 UJSLRYHNNSESQT-UHFFFAOYSA-N 465.600 3.372 10 10 JGCE O=C(CN1C(=O)C(=C2SC(=S)NC2=O)c2cc(Br)ccc21)Nc1ccccc1 2314952194 WJTCKTQODTYBRX-UHFFFAOYSA-N 474.361 3.293 10 10 JGCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c(N3CCC(C)CC3)nc12 2990131 KEVKHHQOWFHWEW-GHRIWEEISA-N 486.619 3.305 10 10 JGCE Cc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1 96459507 BABXACPOKINJJK-SLWLXCFBSA-N 484.559 3.074 10 10 JGCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccccc1 254716309 ZGWKNQQXDCFJFI-DEOSSOPVSA-N 491.613 3.350 10 10 JGCE COc1ccc(N2CCN(CCNc3cnn(Cc4ccccc4)c(=O)c3Cl)CC2)cc1 742928010 GPGYEHVRHNEVCU-UHFFFAOYSA-N 453.974 3.188 10 10 JGCE CCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864022013 IMXHBFWWDFBFHU-MRXNPFEDSA-N 489.454 3.308 10 10 JGCE COCCNC(=O)Cn1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c2ccccc21 2297351931 AUNPYXYALSGULR-UHFFFAOYSA-N 494.935 3.032 10 10 JGCE COc1cc(OC)c([N+](=O)[O-])cc1C=C1C(=O)NC(=O)N(c2cccc(Br)c2)C1=O 2313561065 SBZIRSQXNQPXOC-UHFFFAOYSA-N 476.239 3.041 10 10 JGCE Cc1ccc(CSC2=NC(=O)C3=c4ccccc4=N[C@@H](c4ccc(N(C)C)cc4)N3N2)cc1 588226276 OAJIXANRYNJFQD-XMMPIXPASA-N 455.587 3.137 10 10 JGCE COc1ccc(N2CCC(NC(=O)C(=O)Nc3cccc(OCC(F)(F)F)c3)CC2)cc1 726728635 XGUYWJRGJUQJMR-UHFFFAOYSA-N 451.445 3.360 10 10 JGCE COc1ccc(OCCCC(=O)N2CSC[C@@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862236118 TUIWDHFGNZCIAP-XMMPIXPASA-N 499.633 3.113 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)c3ccccn3)CC2)cc1 1862291018 GAMKFYWWLKPVKA-VWLOTQADSA-N 490.629 3.471 10 10 JGCE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCOc3ccccc31)[C@H]2c1ccc(O)c(O)c1 1865029154 HJLHJNJZHJYKJD-NRFANRHFSA-N 462.506 3.133 10 10 JGCE CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)c2ccc(F)c(F)c2F)N2CCCCC2)cc1 1867803108 SMZIVVUSDLRHST-HXUWFJFHSA-N 462.516 3.243 10 10 JGCE CNC(=O)COc1cn(CCCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871017043 JNVNJYMUYNKCDU-UHFFFAOYSA-N 463.582 3.281 10 10 JGCE CCOCCCn1cc(OCC(N)=O)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871115604 DMTHXSVBSPRNAZ-UHFFFAOYSA-N 450.539 3.495 10 10 JGCE N=C1C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 2296052848 AMCZFIJSIRMCQP-UHFFFAOYSA-N 478.490 3.486 10 10 JGCE Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=CNc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 2296945846 KVGNMRHYMINDDR-UHFFFAOYSA-N 465.897 3.025 10 10 JGCE CC[C@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2cccc(OC)c2)C1=O)C(=O)O 2314931486 GAXVHJRNNLZBNR-INIZCTEOSA-N 472.544 3.483 10 10 JGCE COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1O[C@@H](C)c1ccccc1 102467523 VCAISBCMIUMZNU-RASUPMDISA-N 484.559 3.456 10 10 JGCE CNS(=O)(=O)c1ccccc1N1CCN(Cc2c(O)ccc3oc4c(c23)CCCC4)CC1 727824525 APPPSJKURCNHTG-UHFFFAOYSA-N 455.580 3.248 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)c3nn(-c4ccc(C)cc4)c4c3CCC4)CC2)cc1 742919644 BICVFNPQSPZFHG-UHFFFAOYSA-N 459.594 3.230 10 10 JGCE Cc1cc(C)cc(N2C(=O)/C(=C\c3cc(Br)c(N4CCOCC4)o3)C(=O)NC2=S)c1 1084334446 SCTVAOCDRARALJ-YBEGLDIGSA-N 490.379 3.327 10 10 JGCE CC(=O)N/C(=C\C1=S=CC=C1)C(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1 1629528774 WRYFWTFITWROMC-STZFKDTASA-N 456.545 3.119 10 10 JGCE CCCC[C@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)N1C(=O)c2cccc(OC)c2C1=O 1865851049 XWGLTQAVPAGXNE-OAQYLSRUSA-N 465.550 3.207 10 10 JGCE COc1ccc(N2CCN(c3nc(NC(=O)COc4cc(Cl)ccc4Cl)n(C)n3)CC2)cc1 1869969546 QAVCJWJGVHWYLJ-UHFFFAOYSA-N 491.379 3.475 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCCCN(C)C)nc(Nc4ccc(C)cc4)[nH]3)CC2)cc1 1871479369 QSULSYTUWVBXKH-UHFFFAOYSA-N 476.629 3.044 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCc4ccccc4)[nH]c(=Nc4ccccc4)[nH]3)CC2)cc1 1871598941 QTRPTLDRTQGPBC-UHFFFAOYSA-N 467.577 3.406 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccncc3)C(=O)N(CCCN(C)C)C2=O)cc1 1873164086 LFCPUIZCYBGNJW-UHFFFAOYSA-N 457.578 3.311 10 10 JGCE O=C(O)CCCNC(=O)CN1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S 2314828096 QGPIITWJGZHVSE-UHFFFAOYSA-N 470.572 3.448 10 10 JGCE COc1ccc(N2CCN(C(=O)COC(=O)C3CCN(c4nc5ccccc5s4)CC3)CC2)cc1 727533301 HVGTUKCEOTYDTF-UHFFFAOYSA-N 494.617 3.413 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)[C@H](C)Sc3ccc(NC(C)=O)cc3)CC2)cc1 742919399 HQVBJHGYHCTUNE-SFHVURJKSA-N 456.612 3.073 10 10 JGCE CCC[C@H](NC(=O)C(=O)Nc1sc(C)c(-c2ccc(F)cc2)c1C(=O)OCC)C(=O)O 1860758729 LLKXTYDXPLEGHV-AWEZNQCLSA-N 450.488 3.347 10 10 JGCE CC[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862293414 ZYUNHDPHHDVMSV-IBGZPJMESA-N 460.918 3.114 10 10 JGCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCc1ccc(F)cc1)[C@@H]2c1ccc(O)c(O)c1 1864022431 WHUWFWXJKSABCP-HXUWFJFHSA-N 466.513 3.417 10 10 JGCE C[C@H](NC(=O)c1cc(-c2ccco2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866645370 XKDFFZMNMIYISQ-ZDUSSCGKSA-N 455.426 3.467 10 10 JGCE CCCCn1c(C(=O)N2CCOCC2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873552529 POHKWUKILMNJKV-UHFFFAOYSA-N 478.597 3.039 10 10 JGCE CCOC(=O)c1ccc(N2NC(=O)C(=Cc3cc(OC)c(OC)cc3Br)C2=O)cc1 2297321445 PRDZRKORYYTIQL-UHFFFAOYSA-N 475.295 3.104 10 10 JGCE O=C1NC(=O)N(c2ccc(I)cc2)C(=O)C1=Cc1cnc(-c2ccccc2)nc1 2297346643 BTQPZYACONNFIN-UHFFFAOYSA-N 496.264 3.415 10 10 JGCE CCN(CC)C(=O)Cn1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc21 2313631579 SCOGNOIWQUYOPH-UHFFFAOYSA-N 450.539 3.304 10 10 JGCE COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)NC(=O)C(=O)N3CCCCC3)CC2)cc1 9611880 UXPIKNOXRUWTBN-CVDCTZTESA-N 470.639 3.137 10 10 JGCE COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NCCC(=O)O)C2=O)cc1OC 15044683 RFMBXKPFMGFMMR-LGMDPLHJSA-N 466.581 3.056 10 10 JGCE COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)Nc3ccc(F)cc3)c3ccco3)CC2)cc1 38619585 WPPCAGNULIEHHQ-QFIPXVFZSA-N 466.513 3.046 10 10 JGCE COc1ccc(/C=C2\SC(Nc3cc(C(=O)O)cc(C(=O)O)c3)=NC2=O)c(OC)c1OC 39869940 YWAZAFACMVGPJS-DHDCSXOGSA-N 458.448 3.191 10 10 JGCE CC(C)C[C@H](C(=O)O)N1C(=O)C[C@@H](N2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)C1=O 504124941 WVLJUXXGVUCSBV-FAKGWRIXSA-N 458.561 3.071 10 10 JGCE Cc1ccc(C(=O)CN2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 1860826551 HGKPAGJGGFIJGQ-VXPUYCOJSA-N 466.540 3.271 10 10 JGCE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccncc1 1865405776 UGZRKOALPZZWDQ-HSZRJFAPSA-N 488.592 3.049 10 10 JGCE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O[C@H](C)C(=O)O)c(OCC)c3)C2=O)cc1 2294095410 QYABHGQTNXBLEY-CQSZACIVSA-N 468.462 3.002 10 10 JGCE C[C@@H](Oc1ccc(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1)C(=O)O 2294229408 RFCJEERFGJFOOE-LLVKDONJSA-N 475.320 3.132 10 10 JGCE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc2c(c1)OCO2 2313556338 WHAVTNFJXUFDAZ-UHFFFAOYSA-N 473.441 3.218 10 10 JGCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3F)C2=O)ccc1O[C@@H](C)C(=O)O 2314932096 KJFAENUWHDWUHP-NSHDSACASA-N 476.507 3.232 10 10 JGCE COc1ccc(N2CCN(C(=O)c3sc(NS(=O)(=O)c4ccc(F)cc4)nc3C)CC2)cc1 8978242 XPGSQJLFJRJARH-UHFFFAOYSA-N 490.582 3.362 10 10 JGCE O=C1N=C(N2CCN(C3=NC(=O)/C(=C\c4cccc(O)c4)S3)CC2)S/C1=C/c1cccc(O)c1 33347637 ZBURBIJDFRCTQV-IWGRKNQJSA-N 492.582 3.356 10 10 JGCE O=C(CN1C(=O)/C(=C/C=C\c2ccccc2)SC1=S)Nc1cc(C(=O)O)ccc1C(=O)O 210493390 MDZCVWBLBDLYEN-XWSNBJDESA-N 468.512 3.479 10 10 JGCE CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)C1 823027208 FMTHTGWNNGCHKV-LSDHHAIUSA-N 497.931 3.462 10 10 JGCE CC[C@@](C)(NC(=O)c1cccc([N+](=O)[O-])c1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861910563 CYAOIYJJFJMDCM-XMMPIXPASA-N 454.527 3.159 10 10 JGCE COc1ccc(N2CCN(C(=O)CNC(=O)Cc3ccc4nc(O)c(C(C)C)cc4c3)CC2)cc1 1868910861 SLAPQILYPGQCBF-UHFFFAOYSA-N 476.577 3.080 10 10 JGCE CCn1c(C(=O)NCc2ccc(O)cc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873571201 BWANHHOECYDPGA-UHFFFAOYSA-N 486.576 3.422 10 10 JGCE CCN(CC)CCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2C 1875199147 UOUPBCJWKQZFKJ-UHFFFAOYSA-N 493.656 3.473 10 10 JGCE CCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2Cc1ccco1 1875232092 SEYUMYICHHJSDB-UHFFFAOYSA-N 460.538 3.475 10 10 JGCE Cn1c(=O)n(C)c2cc(/C=C3/SC(=S)N(NC(=O)C45C[C@H]6C[C@@H](C4)C[C@@H](C5)C6)C3=O)ccc21 2059012426 VNDSAUYUTXFZBS-DCJZOADBSA-N 482.631 3.326 10 10 JGCE CC1=NN(c2ccc(C(=O)OC(C)C)cc2)C(=O)C1=Cc1cccn1-c1ccc(S(N)(=O)=O)cc1 2295187750 HTTLFCIXRYLGOB-UHFFFAOYSA-N 492.557 3.496 10 10 JGCE CCOc1cc(C=C2C(=N)N3N=CSC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1 2297365680 NHIUGZTWXLNIHW-UHFFFAOYSA-N 456.505 3.102 10 10 JGCE COC(=O)c1c(NC=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)sc2c1CCCC2 2297560414 SWOKLPPZVCHTFR-UHFFFAOYSA-N 459.524 3.296 10 10 JGCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)O 2313559407 XVMQDWNXVSUYOC-UHFFFAOYSA-N 462.817 3.008 10 10 JGCE CCOc1cc(C=C2SC(=S)N(CCCCCC(=O)N[C@@H](C)C(=O)O)C2=O)ccc1O 2314836145 AONUDOWYHBPQJR-ZDUSSCGKSA-N 466.581 3.142 10 10 JGCE CCN(CCN=[N+]=[N-])C(=O)c1cc(I)cc(I)c1O 2337774916 SMXNQIRKGVXPAO-UHFFFAOYSA-N 486.051 3.374 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)c3ccc4ccccc4c3)CC2)cc1 11796513 FAWFXZVHFMZQRQ-UHFFFAOYSA-N 467.591 3.120 10 10 JGCE CN(C1=NC(=O)/C(=C\c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)S1)c1ccc(O)cc1 33568196 JUJUXQLXTFMJLH-XDHOZWIPSA-N 455.517 3.406 10 10 JGCE C/C(NCCc1ccc(S(N)(=O)=O)cc1)=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 205951965 GEMRPPGCEVYTGH-PTGBLXJZSA-N 460.559 3.191 10 10 JGCE C[C@@H](NC(=O)c1ccc(NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1)C(=O)O 586694018 WXYCWCNJOXNKNY-CYBMUJFWSA-N 457.442 3.309 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cc(N4CCN(c5cccc(C)c5)CC4)ncn3)CC2)cc1 1858252135 PSLOBOMETZKUCB-UHFFFAOYSA-N 472.593 3.083 10 10 JGCE CN(C[C@H](O)c1ccc(O)cc1)C(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860345028 OGXRUQBFIDXANK-VWLOTQADSA-N 494.551 3.472 10 10 JGCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2 1864007540 PEUWGIVTHHMKFT-DYESRHJHSA-N 496.951 3.235 10 10 JGCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2ccncc2)[C@H]3c2ccc(O)c(O)c2)cc1 1864007773 UWVVUHQKXMYFFW-QHCPKHFHSA-N 499.527 3.007 10 10 JGCE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864012400 ZEFNVSATIUZAPS-JOCHJYFZSA-N 490.491 3.394 10 10 JGCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3ccc(F)cc3F)CC2)cc1 1865419016 YPFZIQXMIFJJPA-JOCHJYFZSA-N 495.530 3.059 10 10 JGCE COC(=O)c1ccc(C=C2SC(=S)N(CCC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1 2296755650 WYDMHAZERTVJST-UHFFFAOYSA-N 495.626 3.413 10 10 JGCE O=C(Cn1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc21)NC1CCCC1 2313624621 YNLMQGPUEVSMGH-UHFFFAOYSA-N 462.550 3.495 10 10 JGCE COc1cc(C(=O)N2CCC(CC(=O)NCc3ccc(N(C)C)cc3)CC2)cc(OC)c1OC 32974313 SJVUNKCFOSUREM-UHFFFAOYSA-N 469.582 3.337 10 10 JGCE CCOc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(C)C3=O)c3ccccc32)cc1 33329822 GWDSNCOUNVOCNG-VHEBQXMUSA-N 453.545 3.272 10 10 JGCE CC(C)[C@H](OC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)C(=O)N(C)C 729708097 XJHWZAKMPSDJJR-IDJPSDCMSA-N 485.425 3.306 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)Nc3c(C)cccc3C(=O)N3CCCC3)CC2)cc1 743285626 BBGRGBMQIXBABT-UHFFFAOYSA-N 465.598 3.183 10 10 JGCE CCc1ccc(OCC(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)cc1 1859005181 XHXRFYJAQIWVBH-UHFFFAOYSA-N 497.573 3.046 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)[C@@H](C)Oc3ccc(Cl)cc3)CC2)cc1 1862216919 CNSBKBZCXHZZTI-VGSWGCGISA-N 490.025 3.366 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1ncc(Br)s1 2180925629 LIHHOFXXFBABFP-JTQLQIEISA-N 458.334 3.391 10 10 JGCE CCCN(CC)c1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCCOC)C1=O 2297551874 HUMOUKHZXQLWCU-UHFFFAOYSA-N 460.625 3.477 10 10 JGCE COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)[C@H](C)O4)cs2)c1 11857691 DXFAUGVVHKXDFS-LBPRGKRZSA-N 475.548 3.372 10 10 JGCE CCN(CC)CCC[C@@H](C)N/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 102455736 TZZPMFNXUHSWLT-INQVIGDZSA-N 451.365 3.016 10 10 JGCE COc1ccc(N2CCN(C(=O)C3CCN(c4nc(C)c(-c5cccnc5)c(O)n4)CC3)CC2)cc1 1858557339 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10 10 JGCE O=C(O)c1ccc(N2C(=O)C[C@H](N3C(=O)C(=Cc4ccc(F)cc4)SC3=S)C2=O)cc1 2314832258 CZHJMOYBNJCFEJ-HNNXBMFYSA-N 456.476 3.057 10 10 JGCE COc1ccc(N2CCN(C(=O)C3=CC4=N[C@@H](c5ccco5)C[C@@H](C(F)(F)F)N4N3)CC2)cc1 136343627 XWAPMCRGIRLBAJ-XLIONFOSSA-N 475.471 3.115 10 10 JGCE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C/c1cccc(OC(=O)c2cccs2)c1 206331104 ZBKIRUSAWFDWOZ-CPNJWEJPSA-N 467.528 3.421 10 10 JGCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H](C)N(C)C)[C@@H](C)C1 1286870673 DMQYHCXMOYEOPC-UXHICEINSA-N 463.630 3.360 10 10 JGCE CSCC[C@@H](CO)NC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860344762 DVVAXUUFYUZFRK-KRWDZBQOSA-N 476.602 3.195 10 10 JGCE COC(=O)CCCNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1860347592 ZZSUOPOMOYBSNZ-AREMUKBSSA-N 474.561 3.248 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)CCc3ccc(C)c(C)c3)CC2)cc1 1861945281 OWPKLHGIOCBZTN-DEOSSOPVSA-N 467.635 3.495 10 10 JGCE CCOc1cc(C(=O)N[C@@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc(OCC)c1OCC 1862125845 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CKBOWJFDMGSDAR-SFHVURJKSA-N 450.520 3.344 10 10 JGCE CN(C)c1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)N2CCCCC2)cc1 1858074535 KZFRLYMAWCPXTC-RUZDIDTESA-N 484.666 3.494 10 10 JGCE CCC[C@H](NC(=O)CCCOc1ccc(OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862235116 IMARHHSDQXIFHR-VWLOTQADSA-N 483.609 3.497 10 10 JGCE Cc1cccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccn3)[C@@H]2c2ccc(O)c(O)c2)c1 1864009255 CUXMRGBEZPXYTO-QHCPKHFHSA-N 483.528 3.306 10 10 JGCE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864021220 NHISXOOXMVTBKA-NRFANRHFSA-N 462.550 3.320 10 10 JGCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3sccc3C)CC2)cc1 1865333513 LIXRVUDDZBVEHY-HXUWFJFHSA-N 479.606 3.150 10 10 JGCE O=C(CCCn1c(O)nc2ccccc2c1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179043 JSFOSDJDVIDMTH-UHFFFAOYSA-N 453.454 3.296 10 10 JGCE O=C(C[C@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179855 SFEBYUIBJWUSFA-HXUWFJFHSA-N 471.444 3.050 10 10 JGCE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)c4cnc(C)cn4)c3)CC2)cc1 1874722845 QYEOSQVVIZHHNP-UHFFFAOYSA-N 459.550 3.441 10 10 JGCE CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cccn3-c3ccc(Cl)c(Cl)c3)C(=N)N21 2297346783 CCGRKXBDIGNBJO-UHFFFAOYSA-N 468.347 3.405 10 10 JGCE CC(NCc1ccc(S(N)(=O)=O)cc1)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 2313682670 IGZMNVGNLDWDKV-UHFFFAOYSA-N 464.522 3.288 10 10 JGCE CCOc1ccccc1C(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 10673620 SHDMAYSRNGHIPR-XDHOZWIPSA-N 456.545 3.445 10 10 JGCE CCN(CC)c1ccc(CN(CCN(C)C)S(=O)(=O)c2ccccc2)c(OS(=O)(=O)CC)c1 34921836 POCKKYUDILMOKQ-UHFFFAOYSA-N 497.683 3.014 10 10 JGCE CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)N2CCOCC2)cc1C 101760226 YOIAKYAISRRMLQ-RCCKNPSSSA-N 454.552 3.043 10 10 JGCE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2sccc2-n2c(C)ccc2C)CC1 727742897 ICFLZQFCEJNKKE-UHFFFAOYSA-N 458.609 3.026 10 10 JGCE CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862274933 VAJXSWULJVHDIZ-OAQYLSRUSA-N 499.524 3.067 10 10 JGCE CCOCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccccc2CC)[nH]1 1871556485 BOIIALFCOYVKID-UHFFFAOYSA-N 491.640 3.195 10 10 JGCE O=C(C=Cc1ccc(O)c(O)c1C=Cc1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O 1903847890 YMGFTDKNIWPMGF-HSZRJFAPSA-N 494.452 3.343 10 10 JGCE Cc1ccc(CN2C(=O)C(=C3SC(=S)N(CCS(=O)(=O)O)C3=O)c3ccccc32)cc1 2053496872 OAVYFGRRJDNNBG-UHFFFAOYSA-N 474.585 3.001 10 10 JGCE CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC=C3C(=O)NC(=S)N([C@@H](C)CC)C3=O)c12 2296574025 ZLRYZNDIQDNQTL-LBPRGKRZSA-N 472.567 3.010 10 10 JGCE CCCN1C(=O)/C(=C\c2c(N3CCC(C(=O)OCC)CC3)nc3ccccn3c2=O)SC1=S 33342551 YCBNCLXYIDTFIP-SAPNQHFASA-N 486.619 3.085 10 10 JGCE COc1cc(/C=C2/SC(=S)N([C@@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc(OC)c1OC 1858590180 ANAJJZPXCLIAPT-LZNAANCOSA-N 475.544 3.315 10 10 JGCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCc4nnc5ccccn45)c4ccccc34)[C@@H]21 1860347363 LONMCQWMRIOZNK-HHHXNRCGSA-N 491.555 3.147 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CCc3ccccc3)CC2)cc1 1862285357 DJZPUJPTUXYFPY-MHZLTWQESA-N 487.600 3.410 10 10 JGCE C[C@H](NC(=O)c1cc(-c2cccnc2)[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867156704 MEOKBTXBTIWAAI-AWEZNQCLSA-N 465.469 3.004 10 10 JGCE CCOc1ccc(C(=O)NCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867529432 HOBUZCBQZMZTMU-DEOSSOPVSA-N 452.599 3.225 10 10 JGCE COc1ccc(N2CCN(C(=O)Cc3nonc3OCCOc3ccc(Cl)cc3)CC2)cc1 1872639144 QNUWUCLKRBIJHG-UHFFFAOYSA-N 472.929 3.081 10 10 JGCE CCCC1=NN(c2ccc(F)cc2)C(=O)C1=CNCCN1CCN(C(=O)c2ccccc2)CC1 2296740566 BCJVTYBJCXPGQV-UHFFFAOYSA-N 463.557 3.260 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)Cc3cccc4ccccc34)CC2)cc1 11796542 QAZQFUYMNNFVHT-UHFFFAOYSA-N 481.618 3.049 10 10 JGCE CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 15360402 CVWBJGILLSHRMA-UHFFFAOYSA-N 477.652 3.282 10 10 JGCE COc1ccc(N2CCN(C(=O)Cn3c(=O)n(C(C)C)c4ccc(-c5noc(C)n5)cc43)CC2)cc1 33306889 UMWNNEBNZKGCBG-UHFFFAOYSA-N 490.564 3.100 10 10 JGCE CN(CCO)Cc1cc(N2CCN(C(=O)c3ccco3)CC2)c2c3c(onc13)-c1ccccc1C2=O 63490359 YLRIPANYTWNTQN-UHFFFAOYSA-N 486.528 3.019 10 10 JGCE Cc1ccc(/C=C\S(=O)(=O)NCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1 96288946 HSOZFJDBINDOKI-GSQIGPBRSA-N 471.623 3.159 10 10 JGCE O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 97553989 RLNXZLHLMIIOFP-LNODMESNSA-N 455.986 3.380 10 10 JGCE Cc1ccc(CN2C(=O)/C(=C\c3c(NCCO)nc4c(C)cccn4c3=O)SC2=S)cc1 102836107 VREAIUPPAQBYLJ-LDADJPATSA-N 466.588 3.117 10 10 JGCE COC(=O)CC[C@@H]1CN(Cc2ccc(OC)cc2O)CC[C@@H]1N1CCN(c2ccccc2OC)CC1 206122027 IHIJCPHGWNUCII-QPPBQGQZSA-N 497.636 3.375 10 10 JGCE C[C@H](NC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1)C(=O)O 586608834 LAHBKGVMQUGOOV-ZDUSSCGKSA-N 457.442 3.309 10 10 JGCE O=S(=O)(Nc1nc2c(s1)CCc1ccccc1-2)c1ccc(N2CCCS2(=O)=O)cc1 727244030 PXCBITLNGZYFEA-UHFFFAOYSA-N 461.590 3.249 10 10 JGCE CC[C@@H](Oc1cccc(/C=C2/SC(=S)N([C@H](CCSC)C(=O)O)C2=O)c1)C(=O)O 1614236809 RGRRGNMCRMTIAX-BNQVXVOMSA-N 455.579 3.336 10 10 JGCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC(O)CC1)[C@@H]2c1ccc(O)c(O)c1 1865031339 FCRWJAAORRUAQA-OAQYLSRUSA-N 490.560 3.049 10 10 JGCE CCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1865031720 MWKPWEKEBWCGOU-NRFANRHFSA-N 492.576 3.153 10 10 JGCE CCc1sc(NC(=O)[C@H](N)CCC(N)=O)c(C(=O)OC)c1-c1ccc(Br)cc1 1866104633 XYCXEISPXYLUJR-GFCCVEGCSA-N 468.373 3.058 10 10 JGCE COCCCN=c1nc(Nc2ccc(C)c(C)c2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871526667 FANJURSIXITVPA-UHFFFAOYSA-N 477.613 3.438 10 10 JGCE O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(CC(=O)N2CCCCCC2)c2ccccc12 2313623865 GLRBQMTVROXITH-UHFFFAOYSA-N 474.517 3.299 10 10 JGCE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc(O)cc2)C1=O)C(=O)O 2314926337 GRSJWKLDZDMSDT-OAHLLOKOSA-N 458.517 3.180 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cccc(N4C(=O)[C@@H]5CC=C[C@@H](C)[C@H]5C4=O)c3)CC2)cc1 13147370 DCYGWQNHRGODJF-DQMJNTIXSA-N 459.546 3.359 10 10 JGCE O=C(O)COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Br)C2=O)c1 16909615 ACKYVYFLDLYVFA-OQLLNIDSSA-N 493.360 3.459 10 10 JGCE COc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1cccc(C)c1 20207776 IXMFUMMESNSUJO-ONVPTEKUSA-N 484.559 3.204 10 10 JGCE CCN(CC)c1ccc(C=c2sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC)=C(C)N=3)cc1 254833385 DDZXGHMLQMIUTD-DEOSSOPVSA-N 491.613 3.263 10 10 JGCE O=C(Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)C(=O)N(Cc1ccco1)Cc1ccccc1O 731407470 XDSRVWXVOLRVOZ-NRFANRHFSA-N 498.557 3.105 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)[C@H](C)SCC(=O)Nc3ccc(C)cc3)CC2)cc1 742926888 DXFUDODROQIKCZ-FQEVSTJZSA-N 470.639 3.002 10 10 JGCE O=C(O)COc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Cl 1083963516 YZDVCTJFIDNXFJ-YHYXMXQVSA-N 469.277 3.427 10 10 JGCE CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccccn3)n2CCCSc2nccs2)C1 1359361634 HQZCNPMJKSYQNA-SFHVURJKSA-N 471.656 3.207 10 10 JGCE CCc1sc(NC(=O)C(=O)N[C@H](CC)C(=O)O)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763727 ODZQGXICVJLMNG-GFCCVEGCSA-N 497.367 3.445 10 10 JGCE COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(C)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1864009725 LFFBHBVKDDSSBH-QFIPXVFZSA-N 478.549 3.278 10 10 JGCE COCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864014469 VTBGBQHAISJPNW-QFIPXVFZSA-N 498.539 3.408 10 10 JGCE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2 1864017515 OCAIALMGQWBBEN-OAQYLSRUSA-N 478.549 3.002 10 10 JGCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3ccc(C)cc3)CC2)cc1 1865183848 GFMJTMGJKYQJGD-HSZRJFAPSA-N 473.577 3.089 10 10 JGCE CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)N2CCCCC2)cc1 1867897587 FYUCQSHRMJWEHK-JOCHJYFZSA-N 487.988 3.387 10 10 JGCE COc1cccc(C=C2SC(=S)N(N[C@@H]3OC(=O)c4c3ccc(OC)c4OC)C2=O)c1OC 2314600158 MDRDITZTRLIXHF-LJQANCHMSA-N 488.543 3.296 10 10 JGCE CCS(=O)(=O)Nc1ccc2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(C(=O)O)c2c1 32985170 LLTUQSPAAIXCRT-UHFFFAOYSA-N 470.551 3.030 10 10 JGCE Cc1c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(N2CCCC2)n(C)c(=O)c1C#N 35520724 MYZROFBWPOVZOO-JMIUGGIZSA-N 494.598 3.296 10 10 JGCE CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)C(=N)N21 96460747 JLEBFSOZEFHNTK-XYPMFZOPSA-N 498.428 3.163 10 10 JGCE CN1CCN(C(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c2)CC1 586672770 PEZJOWQXKWIDFK-UHFFFAOYSA-N 468.513 3.494 10 10 JGCE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)CC1 789918242 OSZGGQCCTPAFOX-UHFFFAOYSA-N 499.637 3.348 10 10 JGCE O=C(C=S(O)(O)=C(c1ccccc1)S(=O)(=O)CC(=O)Nc1ccccc1)Nc1ccccc1 1088721814 LDENCWLPQOVSSG-UHFFFAOYSA-N 486.571 3.410 10 10 JGCE CCCC[C@@H](NC(=O)c1ccc(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861933160 BASIMXHAEFZGKN-JOCHJYFZSA-N 469.582 3.350 10 10 JGCE CCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1 1864019264 XMYHKQGSIASWOO-FQEVSTJZSA-N 466.513 3.265 10 10 JGCE CCC[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868608378 JYCQASPYQFUSTK-XMMPIXPASA-N 478.593 3.069 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccccc3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873162300 OTVUOFGIPVPSIO-UHFFFAOYSA-N 498.627 3.339 10 10 JGCE CCCn1c(C(=O)NCCCCCCO)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873576127 KOOHWDBTXOHTDL-UHFFFAOYSA-N 494.640 3.459 10 10 JGCE COCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(Cc2ccco2)C1=O 2040498561 MPYGNNPTRJPURN-UHFFFAOYSA-N 456.549 3.056 10 10 JGCE Cc1c(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(=O)oc2c3c4c(cc12)CCCN4CCC3 2296594544 WZMCJSCKXYQFKG-UHFFFAOYSA-N 483.524 3.462 10 10 JGCE O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccc(N2CCOCC2)o1 2296935809 HKYQEALLZOKJMH-UHFFFAOYSA-N 452.319 3.254 10 10 JGCE O=C1Nc2ccccc2C1=C1SC(=S)N(NC(=O)c2ccccc2Br)C1=O 2297305838 ITNOGPGJFRPCEM-UHFFFAOYSA-N 460.334 3.318 10 10 JGCE CCOC(=O)CCN1C(=O)C(=Cc2ccc(OCC(=O)N(CC)CC)c(OC)c2)SC1=S 2314761235 QKDCZXFGNJRCNL-UHFFFAOYSA-N 480.608 3.097 10 10 JGCE CCOc1cc(C=C2SC(=S)N([C@H](C)C(=O)NCCCCCC(=O)O)C2=O)ccc1O 2314837725 VZUBKQIBRKMDLZ-CYBMUJFWSA-N 466.581 3.142 10 10 JGCE Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@H]23)cc1 3014319 ZKMGVGBYVFYTKR-VABKMULXSA-N 481.460 3.419 10 10 JGCE O=C(O)CCCCCNC(=O)CCN1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1=S 15038508 WAAHCMAEIGDKDI-PTNGSMBKSA-N 456.973 3.398 10 10 JGCE COc1cccc(C(=O)NN2C(=O)/C(=C\c3cccc(OCCC(=O)O)c3)SC2=S)c1 16908191 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COc1ccc(N2CCN(C(=O)CCS(=O)(=O)c3ccc4nc(C)sc4c3)CC2)cc1 9116875 WMEXZGRTHYMHAE-UHFFFAOYSA-N 459.593 3.126 10 10 JGCE CCOC(=O)c1c(C)oc2nc(C)nc(NCCN3CCN(c4ccc(OC)cc4)CC3)c12 15727411 NLCALLSRJQMSJF-UHFFFAOYSA-N 453.543 3.259 10 10 JGCE Cc1ccc(-c2nc(Cn3cc(C=C4C(=O)N(C)C(=O)N(C)C4=O)c4ccccc43)no2)cc1 27570740 TUMXWQKRDFMPGV-UHFFFAOYSA-N 455.474 3.482 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(c4nc5ncccc5n5cccc45)C3)CC2)cc1 33018916 HZEFGQQOVSWCSU-HXUWFJFHSA-N 470.577 3.456 10 10 JGCE CN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)c2ccccc21 40940403 RBFRRWHVYFLRPI-PFONDFGASA-N 474.361 3.342 10 10 JGCE Cc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)N[C@](C(=O)O)(c3ccccc3)[C@@H]2C1=O 43221530 OVKZTGYOZWHPCN-HXFQDRMMSA-N 469.541 3.491 10 10 JGCE COc1ccc(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccccc4)c3C)CC2)cc1 62694328 FATJQRPDBSXWIK-UHFFFAOYSA-N 467.591 3.292 10 10 JGCE COC(CNC(=O)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1)OC 586629067 GVNMRKFUBNLOOS-UHFFFAOYSA-N 473.485 3.455 10 10 JGCE C#CCN(c1nnc(-c2ccccc2F)n1CCCSc1nccs1)[C@@H]1CCS(=O)(=O)C1 1705563760 DUTMLNTXPUWNTK-MRXNPFEDSA-N 491.639 3.350 10 10 JGCE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CC(=O)N(CCOC)C1 1705605257 GKRUJPUTPFUJJR-JOCHJYFZSA-N 474.609 3.307 10 10 JGCE CCOC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)Oc2ccc(N)cc2)nc1C 1858692889 KCIPGAPYPXDVLB-UHFFFAOYSA-N 471.495 3.234 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(OC(F)(F)F)cc4)C3)CC2)cc1 1860312132 KFLUYAIVYDVGFR-INIZCTEOSA-N 463.456 3.296 10 10 JGCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)sc(C)c1-c1ccccc1 1860747545 NFNDTKGGMGNOKD-UHFFFAOYSA-N 487.559 3.125 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1864016084 ZZYSLQKQUPRREL-INIZCTEOSA-N 492.429 3.331 10 10 JGCE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865025957 GOCLUXIWAPEJQG-OAQYLSRUSA-N 464.497 3.107 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nn(C)c(NC(=O)c4ccccc4Cl)c3F)CC2)cc1 1871337430 YEWVLXQACBAPMD-UHFFFAOYSA-N 471.920 3.436 10 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GHWLRBBDKIKXHK-UHFFFAOYSA-N 453.543 3.074 10 10 JGCE CC(=O)Nc1ccc(S(=O)(=O)NC(=S)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1858611540 BUALZLJEKAEYLC-UHFFFAOYSA-N 479.539 3.096 10 10 JGCE COCCOC(=O)[C@@H](C)n1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860827256 VPMBGBREOJNBKA-CRRKTRLDSA-N 476.576 3.458 10 10 JGCE CN(C)c1cccc(NC(=O)c2ccc(N3CCN(C(=O)c4cccnc4)CC3)c([N+](=O)[O-])c2)c1 1860879305 ZEGCAHIGIUSNTD-UHFFFAOYSA-N 474.521 3.271 10 10 JGCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2C[C@H](C)O[C@H](C)C2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865027075 FMZLAPFPSCULRL-VBURHUQHSA-N 490.560 3.231 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873164174 PGBIRVJOAGHUGS-UHFFFAOYSA-N 484.600 3.296 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 2200962451 HYGFZHVDLWHQTB-FNZWTVRRSA-N 469.582 3.314 10 10 JGCE CN1CCN(CN2C(=O)C(=C3SC(=S)N(c4ccc(F)cc4)C3=O)c3ccccc32)CC1 2313621305 BMDHNKKZGSFYAJ-UHFFFAOYSA-N 468.579 3.153 10 10 JGCE CCCC1=NN2C(=N)/C(=C\c3ccc(OCc4cc(=O)n5nc(C)sc5n4)cc3)C(=O)N=C2S1 20332051 WPGXTRDUTNTJRW-GICBFTDPSA-N 493.574 3.458 10 10 JGCE CCOCCCN1C(=O)/C(=C\c2c(N3CCSCC3)nc3c(C)cccn3c2=O)SC1=S 102434917 FEKNJDYFHXBKAS-SAPNQHFASA-N 490.676 3.184 10 10 JGCE CCN1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3sc4c(c3C(=O)OC)CCCC4)c2C)C1=O 1084072806 KSWYMDHSVVHWSB-WJDWOHSUSA-N 455.536 3.303 10 10 JGCE Cc1cccc(CNC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3C)[C@@H]2c2ccc(O)c(O)c2)c1 1864015290 OAGVBKAREKJUBR-INIZCTEOSA-N 474.439 3.170 10 10 JGCE CCc1nn(C)c2c1[C@H](c1sccc1C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865342284 SLKRJIOZKDIQFZ-NRFANRHFSA-N 493.633 3.404 10 10 JGCE COCCCN1C(=O)C(NCCCCN(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167715 UMXAJSODLOYYGV-UHFFFAOYSA-N 452.599 3.142 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cc4c(NCc5ccc(O)cc5)ncnc4n3C)CC2)cc1 1875196791 KLKZBVLGEPBVAB-UHFFFAOYSA-N 472.549 3.257 10 10 JGCE C[C@@H](c1ccccc1)N1C(=O)C(=Cc2c(N3CCN(C)CC3)nc3ccccn3c2=O)SC1=S 2053512295 VQSOHBCOFWHKJD-KRWDZBQOSA-N 491.642 3.409 10 10 JGCE CCOc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)ccc1O[C@@H](C)C(=O)O 2294216826 DGTFBNPAADDCCX-LBPRGKRZSA-N 474.922 3.422 10 10 JGCE COc1ccc(C=C2SC(=S)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1OC 2296885497 XOZYPLHRQMRWSZ-UHFFFAOYSA-N 458.517 3.272 10 10 JGCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3CCCCC3)nc12 2314413854 JDKFWVKSNHTTJE-MRXNPFEDSA-N 470.620 3.373 10 10 JGCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H](CN)c1cc(I)nn1C 2361035589 UBNRXRXWGDBRAG-MRXNPFEDSA-N 485.370 3.186 10 10 JGCE O=C(CN1C(=O)/C(=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21)NCc1ccccc1 33692591 YXEFJKKVEHSUTN-SIUCFOQUSA-N 493.610 3.100 10 10 JGCE CC(=O)N(C)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(N(C)C)cc2C)CC1 1301634626 IAWSDBVKTBRCID-HHHXNRCGSA-N 498.672 3.189 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)CCC(=O)CCC(=O)c3cccs3)cc2)CC1 1638588057 XHQNNRKQTVFFCZ-UHFFFAOYSA-N 455.580 3.045 10 10 JGCE CCN(CC)CCCNC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860344743 CMMNSHRNFDCDBO-UHFFFAOYSA-N 457.578 3.422 10 10 JGCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1cccc(-n2cnnn2)c1 1860345067 QZUNUOMNGPKMOI-UHFFFAOYSA-N 488.511 3.189 10 10 JGCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1864010662 ANDWIOUYSVMPQX-LRTDBIEQSA-N 466.513 3.399 10 10 JGCE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2 1864017429 MFGORGZSGUESPL-GCJKJVERSA-N 490.560 3.144 10 10 JGCE COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)SCC(=O)N2C2CC2)cc1 1891991050 QFVYZWSJFQXBCV-DQEYMECFSA-N 481.618 3.200 10 10 JGCE C[C@@H]1C[C@H](NC(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)CN1Cc1ccccc1 2200963341 LKJXJXUQHNRDFU-QMMLZNLJSA-N 469.582 3.313 10 10 JGCE O=C1C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2296657786 TTWRZZPAKUKQGA-ZDUSSCGKSA-N 450.519 3.243 10 10 JGCE CCOC(=O)N1CCN(C(=O)CN2C(=O)C(=Cc3ccc(C(C)C)cc3)SC2=S)CC1 2296772770 ULZIFTNNZZEBAH-UHFFFAOYSA-N 461.609 3.312 10 10 JGCE CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(CCOC)C1=O 2296846483 QLHKKVLSMWCNPG-UHFFFAOYSA-N 460.625 3.477 10 10 JGCE COC(=O)c1c(N/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)sc2c1CCCC2 3463087 GZBYOZOFGWBMNM-BENRWUELSA-N 459.524 3.296 10 10 JGCE CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)CCN1C(=O)/C(=C/c2ccco2)SC1=S 95927174 NRJVMELJAQVZJU-PDGQHHTCSA-N 453.545 3.371 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OC(=O)c4ccc(C)cc4)cc3)C(=N)N21 96460484 VLZAVRXXEZCCMP-UPLGOKCCSA-N 482.543 3.226 10 10 JGCE COC(=O)c1ccccc1NC1=NC(=O)/C(=C/c2ccc(OCCC(=O)O)c(OC)c2)S1 210451079 OSIINMQHYANSKM-PDGQHHTCSA-N 456.476 3.418 10 10 JGCE O=C(CN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1cc(C(=O)O)ccc1C(=O)O 210488984 CRBKKZXGMIVTAP-OVCLIPMQSA-N 460.464 3.062 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)c3csc(-c4ccc(OC)c(OC)c4)n3)CC2)cc1 742926860 CQJOJTCMYVUGEC-UHFFFAOYSA-N 482.606 3.388 10 10 JGCE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C)o3)n2Cc2ccc(N(C)C)c(F)c2)C1 1359357842 OGHSKJOTYQBWDQ-LJQANCHMSA-N 454.550 3.405 10 10 JGCE COc1ccc(C)cc1S(=O)(=O)NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858607623 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3.423 10 10 JGCE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccncc4)n(-c4cccc(Cl)c4)[nH]3)CC2)cc1 1869970042 CYNKEOXMLIGUIH-UHFFFAOYSA-N 489.967 3.325 10 10 JGCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NC[C@@H]3CCCO3)n4CC(C)C)CC2)cc1 1873577170 UVTPUDCGBRYRJG-QFIPXVFZSA-N 492.624 3.331 10 10 JGCE CNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 2040498098 CCTTUXHAEIXPBN-UHFFFAOYSA-N 466.544 3.175 10 10 JGCE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)o1 2294093716 HXQOPRWUMDQLCQ-UHFFFAOYSA-N 477.385 3.259 10 10 JGCE CCOC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC 2294094899 CPCVVZYFJNXKRE-UHFFFAOYSA-N 472.881 3.265 10 10 JGCE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)NN(c4ccc(C(=O)OC)cc4)C3=O)o2)cc1 2297458299 LHIVFNJSCXAQGD-UHFFFAOYSA-N 460.442 3.371 10 10 JGCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2cc([N+](=O)[O-])ccc2O)N3)CC1 14475893 MEBSMPWSDCJTFW-IUKKYPGJSA-N 470.551 3.063 10 10 JGCE CCCCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 33812703 WVYXZGNDKAXYJM-UYRXBGFRSA-N 473.668 3.190 10 10 JGCE COc1ccc(N2CCN(c3ncnc(N4CCN(c5ccccc5F)CC4)c3[N+](=O)[O-])CC2)cc1 40611265 BBYNWZXUUCYLRL-UHFFFAOYSA-N 493.543 3.186 10 10 JGCE CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/Nc1ccc(O)c(C(=O)O)c1 104977757 BWNKXQIYHPEVEK-OQLLNIDSSA-N 463.231 3.414 10 10 JGCE CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC(CNC(=O)OC(C)(C)C)CC2)c1 748791415 HQDGFNPNHHUTDW-UHFFFAOYSA-N 461.603 3.164 10 10 JGCE CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)C)n3Cc3ccc(N(C)C)cc3C)C[C@@H]2C)CC1 1359380047 DZIJNKKUJUQHQJ-NVQXNPDNSA-N 495.716 3.278 10 10 JGCE CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)C)n3CCCSc3nccs3)C[C@H]2C)CC1 1722777427 OKEMMWCIRISPOX-QUCCMNQESA-N 491.731 3.419 10 10 JGCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864021691 FPZRTOXXGVPWEF-QGZVFWFLSA-N 488.466 3.387 10 10 JGCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc[nH]1 1865609845 FKENQSGKPRFGSV-QFIPXVFZSA-N 490.608 3.236 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C[C@@H](c3ccc4c(c3)OCCO4)C3CC3)CC2)cc1 1868689952 ZLLJQVQGVMWLBO-NTKDMRAZSA-N 493.604 3.204 10 10 JGCE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)CCOc2ccc(N)cc2)C1 2287598129 CTXSIQMJCOSYKR-UHFFFAOYSA-N 478.590 3.010 10 10 JGCE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(I)c3)C2=O)cc1 2294092724 QZDDADBGOVIYGU-UHFFFAOYSA-N 478.242 3.062 10 10 JGCE Cn1c(=O)n(C)c2cc(C=C3SC(=S)N(NC(=O)C45CC6CC(CC(C6)C4)C5)C3=O)ccc21 2297736524 VNDSAUYUTXFZBS-UHFFFAOYSA-N 482.631 3.326 10 10 JGCE O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 9265493 WDOHBPCHEKKVOY-NVMNQCDNSA-N 499.435 3.376 10 10 JGCE COCCCNC(=O)Cn1cc(/C=C2/C(=O)N(Cc3ccco3)C(=S)N=C2O)c2ccccc21 33457975 OINHXNCZTBBFKZ-XDHOZWIPSA-N 480.546 3.054 10 10 JGCE CCOc1cc(/C=C2/C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C(F)(F)F)cc(Cl)c1O 96557001 JMQMIYVZXJAJKU-NTUHNPAUSA-N 489.859 3.440 10 10 JGCE COC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1/C=C\c1ccccc1 254626661 MEEHRTVMIGIUEV-RTCRYCHBSA-N 459.571 3.139 10 10 JGCE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864011387 TTXBBWISYVXXDE-ZUOKHONESA-N 498.967 3.081 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864018112 CRJSNMKLTYCSSE-IBGZPJMESA-N 468.941 3.389 10 10 JGCE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)CNCc2cc(Br)cc(F)c2O)C1 2288516408 WXACUZHCGZBHTA-UHFFFAOYSA-N 455.271 3.001 10 10 JGCE CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C=C3C(=O)NN(c4ccc(C)c(Cl)c4)C3=O)o2)cc1 2293452824 RFIONZYEDDAUQT-UHFFFAOYSA-N 499.932 3.195 10 10 JGCE COc1ccc(N2CCN(C(=O)c3csc(NC(=O)c4cc(OC)cc(OC)c4)n3)CC2)cc1 8808444 ZOOCEXLHTAXRKS-UHFFFAOYSA-N 482.562 3.384 10 10 JGCE COc1ccc(N2CCN([C@@H](c3cccs3)[C@@H](C)NC(=O)C(=O)NCc3ccco3)CC2)cc1 20289396 QAXOVMMDPXUGKF-WZONZLPQSA-N 482.606 3.034 10 10 JGCE CSCC[C@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]21 104879943 LXURHCGWPIMQQY-SUWCGCSTSA-N 494.491 3.438 10 10 JGCE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2 1864008319 IEBBUXCIOZHVEI-LAUBAEHRSA-N 496.951 3.235 10 10 JGCE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864010116 PRRYGPHNNVRUTB-JOCHJYFZSA-N 480.540 3.451 10 10 JGCE CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1864011848 LZRGETGEKSYAJI-OAQYLSRUSA-N 466.513 3.401 10 10 JGCE C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867348042 HSZXMTRJMKKNNQ-WZONZLPQSA-N 467.570 3.123 10 10 JGCE COc1ccc(N2CCN(c3nc(NC(=O)[C@H]4CCCO4)n(-c4ccc(Cl)cc4)n3)CC2)cc1 1869970480 KKYZLNGRXTUBNX-OAQYLSRUSA-N 482.972 3.373 10 10 JGCE CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CC)C3=O)c3ccccc32)cc1 2296538404 MWVLGNMUVUZMIO-UHFFFAOYSA-N 495.582 3.440 10 10 JGCE CN(C[C@@H](O)c1ccc(O)cc1)C(=O)CCN1C(=O)C(=Cc2ccccc2F)SC1=S 2297500681 SAUAHTCFKHGNJT-GOSISDBHSA-N 460.552 3.315 10 10 JGCE Cc1ccc(CNC(=O)c2cc(I)sn2)c(O)c1Br 2352643177 MCUZVAGRECQQDL-UHFFFAOYSA-N 453.099 3.454 10 10 JGCE COc1ccc(CNc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(C)C2=O)cc1 8661013 CJZBBJCOHQASKA-BOPFTXTBSA-N 452.561 3.455 10 10 JGCE COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3F)C2=O)c(C(=O)O)c1OC 16906225 IQVOHVFWPOWFOW-NTEUORMPSA-N 462.480 3.087 10 10 JGCE COc1ccc(N2CCN(C(=O)Cc3csc(NC(=O)Cc4ccccc4)n3)CC2)cc1 38739794 FDHDHTDFBCFKBE-UHFFFAOYSA-N 450.564 3.224 10 10 JGCE COc1ccc(N2CCN(c3ncnc(NCCc4ccc(OC)c(OC)c4)c3N)CC2)cc1 40683655 AFCPJKFSWHWQHK-UHFFFAOYSA-N 464.570 3.066 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4ccccc4C)cc3)C(=N)N21 96460216 WDEQATHERPPTEA-ZBXKHPAOSA-N 498.586 3.464 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OC(=O)c4cccc(C)c4)cc3)C(=N)N21 96460481 QSDKSIPVGWMYOA-UPLGOKCCSA-N 482.543 3.226 10 10 JGCE Cc1cc(C)n(CCNC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)n1 1860345051 PWEKAUPBHZKQKS-UHFFFAOYSA-N 466.545 3.204 10 10 JGCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC[C@H]1CCCO1)[C@H]2c1ccc(O)c(O)c1 1864016885 ZOVGLOKQNHGPEH-NQIIRXRSSA-N 490.560 3.361 10 10 JGCE CCCn1nc(C)c2c1OC(N)=C(C(=O)N(CC)CCc1ccncc1)[C@H]2c1ccc(O)c(O)c1 1865026297 LVXAUDTYNCDCKV-QFIPXVFZSA-N 477.565 3.194 10 10 JGCE COCCn1cc(OCc2cccc(OC)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870607745 XWESIICWMPKVGD-UHFFFAOYSA-N 493.604 3.413 10 10 JGCE CCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871686119 DBJCVYNFLITOAQ-UHFFFAOYSA-N 493.612 3.023 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCN(C(=O)OCc2ccccc2)CC1 2136254889 BCIFQXQVVJPXHX-FQEVSTJZSA-N 499.564 3.015 10 10 JGCE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1cc(OC)c(OC)c(OC)c1 2313682455 CREVMGBRCKXFER-UHFFFAOYSA-N 469.494 3.373 10 10 JGCE CCOC(=O)CN1C(=O)/C(=C2\SC(=S)N(c3ccccc3OC)C2=O)c2ccccc21 33788895 ISMREHTZVYQJBS-HNENSFHCSA-N 454.529 3.381 10 10 JGCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NC[C@@H]4CCCO4)c4ccccc34)[C@@H]21 1860345239 WKXZNXWFWMEELU-HFJWLAOPSA-N 458.562 3.474 10 10 JGCE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864017075 DVNHWNLPMMQLMS-OAQYLSRUSA-N 478.549 3.321 10 10 JGCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCOC(C)C)[C@H]2c1ccc(O)c(O)c1 1864023224 VZRPDXJABGCMNE-INIZCTEOSA-N 498.502 3.205 10 10 JGCE COc1ccc(N2CCN(C(=O)Cc3nonc3OCCCOc3ccc(Cl)cc3)CC2)cc1 1872635702 HOKAVZGUCZYKGG-UHFFFAOYSA-N 486.956 3.471 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nonc3OCC(=O)Nc3ccc(Cl)cc3C)CC2)cc1 1872674919 NZHNVGNQJXVIIV-UHFFFAOYSA-N 485.928 3.020 10 10 JGCE CCCN1C(=O)C(=Cc2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 2296053658 XZLHBKLWNJUWMF-KRWDZBQOSA-N 466.588 3.451 10 10 JGCE CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCc4ccccc4F)cc3)C(=O)N=C2S1 2297345922 NQOJGRZSCDOSKP-UHFFFAOYSA-N 458.496 3.026 10 10 JGCE COc1cc(C(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)ccc1C 10675494 NTGVSKRLZIXZEM-VXLYETTFSA-N 456.545 3.364 10 10 JGCE CCOC(=O)CN1C(=O)/C(=C2\SC(=S)N(c3cc(OC)ccc3OC)C2=O)c2ccccc21 34848730 RBTBGZYVZIDYFZ-VXPUYCOJSA-N 484.555 3.390 10 10 JGCE Cc1ccc2nc(N3CCCCC3)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 38191940 NFEYOISISMLBIF-IQFISFIMSA-N 470.620 3.373 10 10 JGCE COc1ccc(N2CCN(c3ncnc(N4CCN(c5ccccc5)CC4)c3[N+](=O)[O-])CC2)cc1 40610748 KVTCGGOWWYXRNT-UHFFFAOYSA-N 475.553 3.047 10 10 JGCE COC(CNC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1)OC 586616826 JSHSNKMPBKSLRL-UHFFFAOYSA-N 473.485 3.455 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CCCCC[C@H]3NC(=O)OC(C)(C)C)cc2)CC1 1556199737 UONMQFBXJMLBOF-XZOQPEGZSA-N 472.630 3.445 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)Cc3ccccc3)CC2)cc1 1861959395 KSWLYQVCVWNYNM-AREMUKBSSA-N 473.573 3.020 10 10 JGCE CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861988664 KKAULTFIZKNEQU-ATIYNZHBSA-N 496.627 3.290 10 10 JGCE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1864013360 AGMMEYYPSBYQKE-FQEVSTJZSA-N 472.586 3.284 10 10 JGCE CC[C@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3O)C2=O)cc1)C(=O)O 2314926742 QSUMOGGKPWALQY-INIZCTEOSA-N 458.517 3.180 10 10 JGCE CCOC(=O)CN1C(=O)/C(=C2/SC(=S)N(c3cc(OC)ccc3OC)C2=O)c2ccccc21 34848729 RBTBGZYVZIDYFZ-FMQUCBEESA-N 484.555 3.390 10 10 JGCE CCOC(=O)c1cccc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(Cl)cc32)c1 65096339 YDFKZLXCMHIPEJ-UHFFFAOYSA-N 476.938 3.142 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)N3CCO[C@@H](c4ccc(F)c(Cl)c4)C3)CC2)cc1 727476822 GCFHLSWILZFVJY-HSZRJFAPSA-N 476.980 3.393 10 10 JGCE O=C(Cn1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc21)NC1CCCC1 1083928760 YNLMQGPUEVSMGH-STZFKDTASA-N 462.550 3.495 10 10 JGCE CCN1C(=O)/C(=C\c2cc(C)n(-c3sc4c(c3C(=O)OC)CCCC4)c2C)C(=O)NC1=S 1084181417 VHHBFIQCKXHHMG-WJDWOHSUSA-N 471.604 3.468 10 10 JGCE CCCC[C@H](NC(=O)c1ccc(OC)cc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861933259 XHJGRATXZJIKKZ-QHCPKHFHSA-N 469.582 3.350 10 10 JGCE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864012636 FQJJMVXTRQGDKC-JOCHJYFZSA-N 498.543 3.037 10 10 JGCE CC[C@@H](NC(=O)Cc1cc(-c2ccccc2)on1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868807625 YVTXKEFOQSKZGR-HSZRJFAPSA-N 462.550 3.136 10 10 JGCE CCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN2CCOCC2)C1=O 1873164928 ZAKIZEKFWKEXSH-UHFFFAOYSA-N 464.610 3.286 10 10 JGCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)NCc3ccccc3F)cc1C2=O 1873880805 PMMLUPMTEPTTRD-UHFFFAOYSA-N 475.428 3.382 10 10 JGCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)NCCc3ccc(F)cc3)cc1C2=O 1873902849 YGAWCCNKTPXJCL-UHFFFAOYSA-N 489.455 3.424 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC1CC(OCc2ccccc2)C1 2136259551 UCVHZWJBVWFJRP-MHJFOBGBSA-N 456.539 3.398 10 10 JGCE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNCc2cc3c(cc2O)OCO3)C1 2140604394 VBJIIMSZPZZIDC-FQEVSTJZSA-N 455.555 3.332 10 10 JGCE CN1C(=O)C(=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)c2cc(Br)ccc21 2297297277 CAVPSQOCYPQTBL-UHFFFAOYSA-N 474.361 3.342 10 10 JGCE O=C1N=C(N2CCN(C3=NC(=O)C(=Cc4ccc(O)cc4)S3)CC2)SC1=Cc1ccc(O)cc1 2297325970 WUHXRNHEAQBIAR-UHFFFAOYSA-N 492.582 3.356 10 10 JGCE COc1cccc(C=C2SC(=S)N(CCNC(=O)COc3ccccc3OC)C2=O)c1 2320656166 IBWNKINEWKJQAC-UHFFFAOYSA-N 458.561 3.100 10 10 JGCE CCC[C@@H](NC(=O)C=Cc1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328591387 NPGKVPMXEYSNGO-HSZRJFAPSA-N 466.538 3.250 10 10 JGCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@H](CN)c1cc(I)nn1C 2361035588 UBNRXRXWGDBRAG-INIZCTEOSA-N 485.370 3.186 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCSCC4)ccc3Cl)CC2)cc1 33131467 FTBVODPVAQUNJW-UHFFFAOYSA-N 496.054 3.049 10 10 JGCE CCOc1ccc(N2C(=O)N=C(O)/C(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)cc1 59860262 MGMJGZOSIFUWLA-RGEXLXHISA-N 466.450 3.337 10 10 JGCE CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2CCCSc2nccs2)[C@@H](C)C1 1540985399 CARJOGYWISLTMS-INIZCTEOSA-N 457.629 3.344 10 10 JGCE CC1(C)COCCC[C@@H]2CN(Cc3ccc(O)c(O)c3)CC[C@H]2CC(=O)N(CC2CC2)C[C@H]1O 1615168059 TZUWTIXABVWUPO-SGIRGMQISA-N 474.642 3.362 10 10 JGCE CCOC(=O)[C@@H]1CCCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(CC)n2)C1 1867958834 CGCZLAKDVZRYDY-LJQANCHMSA-N 453.587 3.154 10 10 JGCE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC[C@H](CO)C2)n1 1868254031 BTTSOESXNRIMQR-KRWDZBQOSA-N 472.545 3.393 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)C[C@H]3CC(=O)c4ccccc43)CC2)cc1 1869033796 SUPSSTCXPCQHFT-NTKDMRAZSA-N 495.645 3.342 10 10 JGCE CCN(CC)C(=O)COc1cn(CCC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870632113 XQLXWIHEHNNXTF-UHFFFAOYSA-N 498.668 3.472 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCCc4ccccc4)[nH]c(=Nc4cccc(O)c4)[nH]3)CC2)cc1 1871713751 LNSAQNGVCMNAHA-UHFFFAOYSA-N 497.603 3.154 10 10 JGCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3cc(C)n(-c4ccccc4C)c3C)C(=O)N=C2S1 2297346116 FBTSXVBCXUZMIG-UHFFFAOYSA-N 455.565 3.414 10 10 JGCE COc1ccc(C=C2SC(=S)N(N[C@@H]3OC(=O)c4c3ccc(OC)c4OC)C2=O)c(OC)c1 2314600301 YXAODTOCZKWDBR-LJQANCHMSA-N 488.543 3.296 10 10 JGCE CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(C[C@@H](O)CN2CCN(C)CC2)c2ccccc12 23477029 XKPXADKPEMMNHZ-NAZSJVEXSA-N 457.578 3.056 10 10 JGCE Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)OCO4)CC2)c(C)n1-c1ccccc1 62694370 ODVXKSNAOWWSPI-UHFFFAOYSA-N 481.574 3.012 10 10 JGCE COc1ccc(N2N=C(c3ccccc3)/C(=C(/C)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 205957774 SFODUFHTWAZLBX-CJLVFECKSA-N 462.531 3.480 10 10 JGCE CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(S(=O)(=O)C[C@H]4CCCO4)cc3)cc2)CC1 731404656 BGGNGEYRNMOQOE-HSZRJFAPSA-N 499.633 3.131 10 10 JGCE Brc1cc(CNCC2(N3CCOCC3)CCOCC2)ccc1N1CCCCC1 1651194766 XLHCLCOUOIBWOZ-UHFFFAOYSA-N 452.437 3.410 10 10 JGCE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864010446 SORFUZHABZMKSA-FQEVSTJZSA-N 468.579 3.374 10 10 JGCE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@H](C)C1)=C(N)O2 1865028996 CXQDGRPQWIROIB-GXZWQRSESA-N 454.571 3.458 10 10 JGCE Cc1cc(C(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nn1-c1ccccc1F 1868159337 PPEISONFDIPVON-UHFFFAOYSA-N 482.471 3.464 10 10 JGCE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(-c5ccccc5)cc4)n(C)[nH]3)CC2)cc1 1869969219 JOIDQCLZLUIMSR-UHFFFAOYSA-N 468.561 3.492 10 10 JGCE CCN(CC)CCn1cc(OCC(N)=O)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871117021 ZSRMNMYFTFDODG-UHFFFAOYSA-N 463.582 3.410 10 10 JGCE O=C(N[C@H]1COCC[C@@H]1NCc1cc(Br)cc(F)c1O)OCc1ccccc1 2031532241 JFZQZHFNXXMHLH-ROUUACIJSA-N 453.308 3.467 10 10 JGCE Cc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 2295923683 BBCLLYKGHLZXDZ-UHFFFAOYSA-N 481.555 3.026 10 10 JGCE COc1cccc(N2C(=O)C(=Cc3cn(CC(=O)N4CCCC4)c4ccccc34)C(=O)NC2=S)c1 2297462762 FTQTWTIFUZPEDJ-UHFFFAOYSA-N 488.569 3.104 10 10 JGCE COc1ccc(C=C2SC(=S)N(CCCCCC(=O)NCCCC(=O)O)C2=O)cc1 2314837889 XZVDHPDDKFTFAR-UHFFFAOYSA-N 450.582 3.438 10 10 JGCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(CCCn3ccnc3)C2=O)cc1 2323840107 LZSZQRMGTXOORW-UHFFFAOYSA-N 458.609 3.422 10 10 JGCE CCC(=CC(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(OC)cc1 2329565016 MEXDGUGIXSLLSO-DEOSSOPVSA-N 498.535 3.380 10 10 JGCE CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)c(OC)c3)C2=O)cc1 2220497 YMGAZZXHMLAKGP-XWAFYUISSA-N 452.463 3.339 10 10 JGCE CCOc1ccc(/C=C2/SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1OC 2410662 BVLARPITRQMIEZ-SFQUDFHCSA-N 450.563 3.189 10 10 JGCE CC(=O)N1CCN(C2=NC(=O)/C(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)S2)CC1 33931383 TVQKLOYYHXCRSC-STZFKDTASA-N 466.519 3.308 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4F)cc3)C(=N)N21 96460331 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CC[C@H](CO)Nc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccco2)C1=O 2040499287 WTZWKTGJIHIPON-CQSZACIVSA-N 470.576 3.180 10 10 JGCE C[C@@H](NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C(C)(C)NC(=O)OC(C)(C)C 2200951825 DSLWCIDLZOJPRT-ZBFHGGJFSA-N 481.590 3.342 10 10 JGCE C[C@H](Oc1ccc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1)c1ccccc1 2297345776 AZBWZGUDPMXZSO-ZDUSSCGKSA-N 454.533 3.448 10 10 JGCE CC(C)C[C@H](C(=O)O)N1C(=O)C[C@H](N2C(=O)C(=CC=Cc3ccccc3)SC2=S)C1=O 2297460518 WVLJUXXGVUCSBV-JKSUJKDBSA-N 458.561 3.071 10 10 JGCE C[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2341925270 AIJOYFAEQAVMPU-YJBOKZPZSA-N 458.511 3.036 10 10 JGCE COCCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccc(OC)cc3)C[C@H]12 97951720 UMHRFNBXMQIODM-RBBKRZOGSA-N 463.500 3.344 10 10 JGCE NC(=O)c1c(NC(=O)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)sc2c1CCCC2 1860741490 NLLLNTJURVMVRJ-UHFFFAOYSA-N 473.510 3.078 10 10 JGCE CCN(CC)c1ccc(/C=c2\sc3nc(Cc4ccc(OC)c(OC)c4)nn3c2=O)cc1 1860794350 JSMXTDMIOHITDG-STZFKDTASA-N 450.564 3.153 10 10 JGCE Cc1cc(C(=O)CN2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)ccc1F 1860827155 UFCDEWNHTFFBHB-VXPUYCOJSA-N 484.530 3.410 10 10 JGCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc(OC)cc1)=C(N)O2 1864012795 JGHZKVVCTBFBQX-SZNDQCEHSA-N 478.549 3.364 10 10 JGCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC1CCCCC1)[C@@H]2c1ccc(O)c(O)c1 1864022391 MYYLNFYTAZXVRL-OAHLLOKOSA-N 466.460 3.477 10 10 JGCE C[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@H]2c2ccc(O)c(O)c2)C1 1865032103 VSNFNHFFCXWNEI-MGPUTAFESA-N 460.534 3.451 10 10 JGCE COc1ccc(Cl)cc1C(=O)NCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867602230 PVEHJSVHIABURE-QFIPXVFZSA-N 473.017 3.488 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@H](c3ccc(OC)c(OC)c3)C(C)C)CC2)cc1 1868860310 ZLCYHSNIQLULTJ-DFBJGRDBSA-N 483.609 3.306 10 10 JGCE CC[C@@H](NC(=O)c1cc(-c2cccc(OC)c2)on1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868964252 IMLJSAGNDTVQIX-JOCHJYFZSA-N 478.549 3.216 10 10 JGCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 1891647090 DSKUPSKKYTYILY-RXVVDRJESA-N 459.637 3.454 10 10 JGCE CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cccn3-c3ccc(Cl)cc3Cl)C(=N)N21 2297346908 ZLCJLNISAHJWSO-UHFFFAOYSA-N 468.347 3.405 10 10 JGCE CC1=NN(c2ccc(C)cc2C)C(=O)C1=CNc1ccc(S(=O)(=O)N2CCOCC2)cc1 2297559024 CMLDSMMWPTUKPS-UHFFFAOYSA-N 454.552 3.043 10 10 JGCE CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(C3CCCC3)C2=O)CC1 33703954 NOZRCQBUHVLWHS-XDJHFCHBSA-N 483.663 3.289 10 10 JGCE Cc1ccc2nc(NCCO)c(/C=C3/SC(=S)N(Cc4ccccc4Cl)C3=O)c(=O)n2c1 33795852 MAIOKQQVDAZQKX-LICLKQGHSA-N 487.006 3.462 10 10 JGCE COc1cc(/C=C2\SC(Nc3cc(C(=O)O)cc(C(=O)O)c3)=NC2=O)cc(OC)c1OC 39869941 GTAPGIGXILJHQS-SOFYXZRVSA-N 458.448 3.191 10 10 JGCE Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C\Nc3ccc4[nH]c(O)nc4c3)C2=O)cc1C 108624718 RGPGHDZRFGLUCN-XYOKQWHBSA-N 470.283 3.227 10 10 JGCE CCN1C(=c2sc(=C3SC(=S)N(C)C3=O)n(-c3ccccc3)c2=O)C=Cc2cc(C)ccc21 254840362 CMHWHMZILKWCHC-UHFFFAOYSA-N 491.663 3.467 10 10 JGCE CCOc1ccc([C@@H](CNC=C2C(=O)N(C)C(=O)N(C)C2=O)c2c[nH]c3ccccc23)cc1OC 730999735 DAXJHOKVBMYRBU-GOSISDBHSA-N 476.533 3.231 10 10 JGCE CCOc1cc2c(cc1CNC(=O)NCCN1CCN(c3ccc(OC)cc3)CC1)O[C@@H](C)C2 742947278 AOXYECLFGJLNMH-IBGZPJMESA-N 468.598 3.039 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(-c4ccc(Cl)cc4)nn3C)cc2)CC1 1296401072 WTMQPAAYILTRPO-UHFFFAOYSA-N 451.958 3.339 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(C)n(-c4cccc(Cl)c4)n3)cc2)CC1 1632946336 XFBIUWXELYOUFC-UHFFFAOYSA-N 451.958 3.433 10 10 JGCE CC(C)Oc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)cc1 1858958678 GMDLBPIONAHVSP-UHFFFAOYSA-N 483.546 3.463 10 10 JGCE COc1cc(CNCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc(OC)c1OC 1860716995 NZEMDCKKJAKWQD-UHFFFAOYSA-N 460.486 3.216 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)COc3cccc(C)c3C)CC2)cc1 1862191509 AOHREURNSHFRLQ-HSZRJFAPSA-N 485.650 3.278 10 10 JGCE CN(C)c1ccc([C@@H](CNC(=O)[C@H](CO)NC(=O)c2ccc(C(C)(C)C)cc2)N2CCCCC2)cc1 1867865418 COMPDZWSJFRLLH-IZZNHLLZSA-N 494.680 3.484 10 10 JGCE CCCN(CCC)C(=O)COc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1872721619 XQCCRADJMPOMLA-UHFFFAOYSA-N 489.638 3.234 10 10 JGCE N=C1C(=Cc2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 2296079366 KMCQOZZNIRKRAQ-UHFFFAOYSA-N 477.502 3.276 10 10 JGCE CCCN1C(=O)C(=C2C(=O)N(CC(=O)NCCc3ccccc3)c3ccccc32)SC1=S 2296712258 PAOPDVGRLBHWLM-UHFFFAOYSA-N 465.600 3.374 10 10 JGCE CC1=NN(c2ccc(C)cc2)C(=O)C1=CNCCNC=C1C(=O)N(c2ccc(C)cc2)N=C1C 2297511410 IWWFICQZXNZIKO-UHFFFAOYSA-N 456.550 3.396 10 10 JGCE O=C1NC(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)C1=CNCc1ccc2c(c1)OCO2 2297560437 VBNSVFXIBRBHKW-UHFFFAOYSA-N 450.303 3.144 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)Nc3ccc(Cl)cc3)CC2)cc1 585200908 SDXSANRCWBRRHW-UHFFFAOYSA-N 466.991 3.012 10 10 JGCE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CC(=O)N3C)cs1 1859573206 DXFIVTPXLJTQBY-UHFFFAOYSA-N 498.586 3.265 10 10 JGCE CCc1sc(NC(=O)C(=O)N[C@@H](CC)C(=O)O)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763728 ODZQGXICVJLMNG-LBPRGKRZSA-N 497.367 3.445 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3ccc4nc(-c5ccccc5O)[nH]c4c3)CC2)cc1 1861892708 WHKUNQYTJOTBGQ-GOSISDBHSA-N 499.571 3.411 10 10 JGCE CC[C@@](C)(NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862274187 CWJSZXRJXDIVCI-XMMPIXPASA-N 499.524 3.067 10 10 JGCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1C[C@H](C)O[C@H](C)C1)[C@H]2c1ccc(O)c(O)c1 1865033961 LTXUGAGCEOAIRP-OZVIIMIRSA-N 496.486 3.054 10 10 JGCE C=Cc1ccccc1OCC(=O)N[C@H](CCC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869051444 XGBBCRGLOFZESB-HSZRJFAPSA-N 451.567 3.351 10 10 JGCE COc1ccc(N2CCN(c3nc(=NC[C@@H](C)O)nc(Nc4ccc(C(C)(C)C)cc4)[nH]3)CC2)cc1 1871553794 TYQZFKYSEBOSES-LJQANCHMSA-N 491.640 3.463 10 10 JGCE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)c4cnc(C)cn4)cc3)CC2)cc1 1874751848 BONXTJGRIUSQAR-UHFFFAOYSA-N 459.550 3.441 10 10 JGCE COc1cccc(C(=O)NN2C(=O)C(=Cc3ccc(O[C@H](C)C(=O)O)c(OC)c3)SC2=S)c1 2314933071 SCWQJKXLYZYWBB-GFCCVEGCSA-N 488.543 3.102 10 10 JGCE Cc1ccccc1C=C1SC(=S)N(CC(=O)Nc2cc(C(=O)O)ccc2C(=O)O)C1=O 2314935179 NGOWNIISTDDIOH-UHFFFAOYSA-N 456.501 3.231 10 10 JGCE COc1ccc(N2CCN([C@H](CNC(=O)C(=O)Nc3ccc(F)cc3F)c3ccco3)CC2)cc1 38619675 OCPWMSVPWCGXRM-JOCHJYFZSA-N 484.503 3.185 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(Br)c(C)c4)C3)CC2)cc1 105858644 JIRMHIHYXLPRRC-KRWDZBQOSA-N 472.383 3.468 10 10 JGCE N=[N+]=CC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 642887440 DQBSMKYUAMEYBZ-RPWUZVMVSA-O 471.537 3.131 10 10 JGCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCN(c2nc3ccccc3s2)CC1 727371842 TUSKKXSLGHRCJS-UHFFFAOYSA-N 484.647 3.064 10 10 JGCE C[C@H](OC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)C(=O)Nc1ncccn1 913360056 HEKYGZUOEXIPOA-SEVUAYLXSA-N 462.578 3.090 10 10 JGCE COC(=O)CCCNC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860345282 ZRRICWQVHPYRQR-UHFFFAOYSA-N 458.518 3.034 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCCO)cn3Cc3ccc(F)cc3)CC2)cc1 1870357420 BMVMATBCVSMHGI-UHFFFAOYSA-N 481.568 3.128 10 10 JGCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCCCCCO)c4ccccc34)[C@@H]21 1873853847 AZNVMEPZELDCJT-AREMUKBSSA-N 460.578 3.457 10 10 JGCE CCCCCN1C(=O)C(=Cc2c(N3CCN(C)CC3)nc3c(C)cccn3c2=O)SC1=S 2040498558 MOOCJONDJISUOY-UHFFFAOYSA-N 471.652 3.146 10 10 JGCE CCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(C(=O)OC)cc3)c3ccccc32)SC1=S 2296710669 PCJYRMLTKJNEGS-UHFFFAOYSA-N 495.582 3.440 10 10 JGCE Cc1ccc2nc(N3C[C@H](C)O[C@@H](C)C3)c(C=C3SC(=S)N(C(C)C)C3=O)c(=O)n2c1 2314400001 HDKGQUHAUKMPTD-GJZGRUSLSA-N 458.609 3.226 10 10 JGCE Cc1ccc(COc2cccc(C=C3SC(=S)N([C@H](CCC(N)=O)C(=O)O)C3=O)c2)cc1 2314541464 MEHFWDJDNMSTHZ-GOSISDBHSA-N 470.572 3.494 10 10 JGCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(OC)cc4)c3C)C(=O)N=C2S1 20208460 PLMWUZLBLKZCIT-WBIXSPHCSA-N 471.564 3.114 10 10 JGCE COc1ccc(CCN2C(=O)/C(=C/c3ccc(OCC(N)=O)c(OC)c3)SC2=S)cc1OC 20258972 YOSLWYIIIOSSHQ-NDENLUEZSA-N 488.587 3.020 10 10 JGCE CN(C)c1ccc([C@@H]2N[C@](Cc3ccccc3)(C(=O)O)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]23)cc1 43221201 RKUMUQWCVLWFBY-MGQBIDJDSA-N 483.568 3.264 10 10 JGCE C(=C1\CCC2=C1Nc1nnnn1[C@@H]2c1ccc(N2CCOCC2)cc1)\c1ccc(N2CCOCC2)cc1 96935995 AXMSHOHLXNQUBR-OLCXKCHLSA-N 497.603 3.493 10 10 JGCE COc1ccc(N2CCN(CN3C(=O)N[C@](C)(c4ccc(Br)s4)C3=O)CC2)cc1 727815587 BBXPTRXFPRERKN-HXUWFJFHSA-N 479.400 3.066 10 10 JGCE C=C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCNS(C)(=O)=O)CC1 1705764044 LXROBYCVHVNIKA-UHFFFAOYSA-N 468.627 3.448 10 10 JGCE COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CC(=O)N4C)c(C)s2)cc1OC 1859573291 KPLYKVHWRIIKCT-UHFFFAOYSA-N 459.549 3.455 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)CCOc3ccccc3)CC2)cc1 1862267172 ZCCZSZOAMAPNSX-HSZRJFAPSA-N 471.623 3.051 10 10 JGCE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865034759 DBGHGPICIYMHRK-YCRPNKLZSA-N 475.549 3.194 10 10 JGCE C[C@@H](NC(=O)c1ccc2oc(O)nc2c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867124724 UXYAPOGOWMWEKR-GFCCVEGCSA-N 455.426 3.066 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(C)C)cn3CCCN3CCCC3=O)CC2)cc1 1870433629 VTINUEATXGSSOS-UHFFFAOYSA-N 496.652 3.226 10 10 JGCE Cn1cc(C=C2C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)c2ccccc21 2295924282 PNKUGOZNIUUMAE-UHFFFAOYSA-N 471.254 3.449 10 10 JGCE COc1ccc(C=C2SC(=S)N(CC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1OC 2296885143 FNJCYTQJCQRCQS-UHFFFAOYSA-N 458.517 3.242 10 10 JGCE O=C1NC(=O)N(c2ccc(I)cc2)C(=O)C1=Cc1cnn(-c2ccccc2)c1 2297344887 MYMPRRCQYFFJGO-UHFFFAOYSA-N 484.253 3.143 10 10 JGCE COc1ccc(C=C2SC(=S)N(CCCC(=O)NCCCCCC(=O)O)C2=O)cc1OC 2314831858 UFNFQYZCUZXQAJ-UHFFFAOYSA-N 480.608 3.446 10 10 JGCE COc1cc(C=C2SC(=S)N([C@H](C)C(=O)Nc3nccs3)C2=O)cc(OC)c1O 2314836944 MEMNKSVWUCFHMB-SECBINFHSA-N 451.551 3.094 10 10 JGCE CCC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(OCC(=O)N(CC)CC)cc2)SC1=S 2323812364 BIBPYBUKTIOVQW-INIZCTEOSA-N 450.582 3.388 10 10 JGCE Cc1ccc2nc(N3CCOCC3)c(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 33330051 HFCOJAPYNVMCAA-HMMYKYKNSA-N 492.626 3.283 10 10 JGCE CSCC[C@@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]21 104879938 LXURHCGWPIMQQY-RQXXJAGISA-N 494.491 3.438 10 10 JGCE CN(C)c1ccc([C@@H]2N[C@](Cc3ccccc3)(C(=O)O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)cc1 248066919 RKUMUQWCVLWFBY-JLMYGFKKSA-N 483.568 3.264 10 10 JGCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccccc1F 254380331 NDUQITWCPWKJJR-JOCHJYFZSA-N 465.550 3.003 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3Br)CC2)cc1 1858095837 UYKHXZFRSNRJIS-NRFANRHFSA-N 472.383 3.411 10 10 JGCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NC[C@@H](O)c1ccc(Cl)cc1)[C@H]2c1ccc(O)c(O)c1 1864009696 KOYMQUPQZWQNEZ-CTNGQTDRSA-N 498.967 3.211 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(F)c4)cn3C[C@H](C)O)CC2)cc1 1870615826 WBUITYRTZZSKKU-FQEVSTJZSA-N 481.568 3.278 10 10 JGCE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCN(C(=O)OC(C)(C)C)Cc3ccccc32)=C[C@@H]1O 2201009369 XBENUOZHZOGHJC-QUCCMNQESA-N 473.570 3.355 10 10 JGCE CCN1C(=O)C(=CC=C2N(CC)c3ccc(S(=O)(=O)N(C)C)cc3N2CC)SC1=S 2297298872 YOZRKINEHFHQNG-UHFFFAOYSA-N 466.654 3.209 10 10 JGCE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCC(N)=O)c(OC)c3)SC2=S)cc1OC 2297478164 YOSLWYIIIOSSHQ-UHFFFAOYSA-N 488.587 3.020 10 10 JGCE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc4c(cc3Br)OCO4)C2=O)cc1 2313547865 DWESLQKYIBGKHC-UHFFFAOYSA-N 459.252 3.243 10 10 JGCE CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CCC(C)C)C2=O)CC1 33586812 FMFBSUSNGDBFIP-XDJHFCHBSA-N 485.679 3.392 10 10 JGCE O=C(CCN1CCCCC1)NN1C(=O)/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)SC1=S 35518698 MGTKPZAPVJHAKT-XDJHFCHBSA-N 485.591 3.494 10 10 JGCE CN(C)c1ccc(CNC(=O)c2cc3cc(S(=O)(=O)N(C)C)ccc3n2Cc2ccncc2)cc1 35561555 RDNMXESNOYMGLQ-UHFFFAOYSA-N 491.617 3.331 10 10 JGCE CN(C)c1ccc([C@@H]2N[C@](C(=O)O)(c3ccccc3)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]32)cc1 248085441 WJLXKQHXXRFTDG-NBCVKUGOSA-N 461.562 3.311 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)[C@@H](C)Sc3ccc(NC(C)=O)cc3)CC2)cc1 742919398 HQVBJHGYHCTUNE-GOSISDBHSA-N 456.612 3.073 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864011313 GLDLJLVHLKESAB-LJQANCHMSA-N 454.914 3.135 10 10 JGCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864019367 JONZJXAPPYLDFQ-OAQYLSRUSA-N 462.550 3.433 10 10 JGCE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865031145 ZUBWVPPYOGIRIM-HXUWFJFHSA-N 463.538 3.194 10 10 JGCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCOCC1)[C@@H]2c1ccc(O)c(O)c1 1865031695 MHRCYRLHSYVHNQ-OAQYLSRUSA-N 490.560 3.171 10 10 JGCE C=Cc1ccccc1OCC(=O)N[C@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C 1869047112 OKXVYUPWVSKNJT-VWLOTQADSA-N 451.567 3.207 10 10 JGCE CCOCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(Cl)c2)[nH]1 1871646204 YFBVLSKLUDFXTJ-UHFFFAOYSA-N 498.031 3.286 10 10 JGCE O=C(C=Cc1ccc(N2CCCCCC2)cc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 2040488159 LZTIKFCZBZPUPC-UHFFFAOYSA-N 477.634 3.494 10 10 JGCE CN(C[C@]1(O)COCCN(C(=O)OC(C)(C)C)C1)c1ccc(CNC(=O)OC(C)(C)C)cc1 2106777494 UERHAJSOUMCSCE-XMMPIXPASA-N 465.591 3.146 10 10 JGCE Cc1ccc(CN(C)S(=O)(=O)N2CC(OCc3ccccc3)C2)c(O)c1Br 2380737038 JGFJRBQHWWYCHS-UHFFFAOYSA-N 455.374 3.041 10 10 JGCE COc1ccc(N2CCN(C(=O)Cc3csc(NC(=O)c4ccc(F)cc4)n3)CC2)cc1 9651275 KQJYLRAVZYGALQ-UHFFFAOYSA-N 454.527 3.434 10 10 JGCE COCCNC(=O)[C@@H]1C[C@H](NC/C=C/c2ccc(N(C)C)cc2)CN1Cc1ccccc1Cl 19229192 OCQLKDMZLJBTMR-KYYMLOEASA-N 471.045 3.415 10 10 JGCE Cc1ccccc1N1C(=O)/C(=C/N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC(C)C)C(=O)N=C1O 103115173 SXUMTPRRAHSENO-CURYZJDOSA-N 474.517 3.300 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)N[C@@H](c3ccc(F)cc3)[C@H]3CCCO3)CC2)cc1 742927942 AICBKZFJCAICSC-RPWUZVMVSA-N 456.562 3.176 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864018113 CRJSNMKLTYCSSE-LJQANCHMSA-N 468.941 3.389 10 10 JGCE CCc1sc(NC(=O)[C@@H]2C[C@@H](O)CN2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866041971 KTFWLUFHIWSANA-OLZOCXBDSA-N 453.358 3.188 10 10 JGCE CN(C)c1ccc([C@H](NC(=O)c2cc(=O)c3cc(N4CCCC4)ccc3[nH]2)c2nccn2C)cc1 1866555130 RRRNPGRVQIKBNF-VWLOTQADSA-N 470.577 3.447 10 10 JGCE O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179342 ZGYKYXKQWBOZRR-UHFFFAOYSA-N 453.429 3.464 10 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JGCE CCn1c(=O)c(C2=NNC(=O)/C2=C(\C)c2c(O)c3ccccc3n(CC)c2=O)c(O)c2ccccc21 101630344 XCEJNTAJTYUVET-XMHGGMMESA-N 484.512 3.075 10 10 JGCE CCOC(=O)C(=O)[C@H](C(=O)OCC)[C@@H](c1ccc(Cl)cc1)C1C(=O)c2ccccc2C1=O 105679470 RYUHQOFWAADZKJ-PKOBYXMFSA-N 456.878 3.431 10 10 JGCE Cc1c(/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)c(NCc2ccco2)n(C)c(=O)c1C#N 208270454 IQVNLQXCDGOFGS-UPAIAECRSA-N 470.576 3.151 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)CC2)cc1 742926864 CTBTYQAURBRDJD-BSPLKQFDSA-N 496.696 3.291 10 10 JGCE CC(=O)N1CCC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2ccccc2O)C1 1540958551 QWMHQRGTKSJYDA-GOSISDBHSA-N 454.600 3.234 10 10 JGCE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(=O)NC(C)C)C1 1705960684 JVGXDIFIWLCJHN-QFIPXVFZSA-N 491.640 3.182 10 10 JGCE COc1cc(/C=C2/SC(=S)N([C@@H](C(=O)O)[C@@H](C)O)C2=O)ccc1OCc1ccccc1 1858596229 QDRLFHLUEUCQQZ-RNRVPZRVSA-N 459.545 3.309 10 10 JGCE COc1cccc(/C=C/C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)c1 1859007431 JJGUDZPDTGANBK-VGOFMYFVSA-N 495.557 3.127 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)CC2)cc1 1861990633 URFMWWPEMCKSOQ-JOCHJYFZSA-N 496.627 3.290 10 10 JGCE CCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864017582 PIECREXJCVEGJQ-NRFANRHFSA-N 478.549 3.083 10 10 JGCE Cc1ccc(-n2nc(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)c(=O)cc2C)cc1 1866283092 DINDSEZZIMGXAG-QHCPKHFHSA-N 456.550 3.168 10 10 JGCE COc1ccc(N2CCN(c3cc(N(C)CCc4cnc[nH]4)nc(-c4cccnc4)n3)CC2)cc1 1869368652 AZSWQPMSSFSHFA-UHFFFAOYSA-N 470.581 3.276 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 1891983358 HGWXUTHVQQNNOX-QFIPXVFZSA-N 478.014 3.241 10 10 JGCE CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200962434 HUFBKDIDYFXFKG-SJORKVTESA-N 479.574 3.049 10 10 JGCE CCCCCN1C(=O)C(=Cc2c(N3CCC(C(N)=O)CC3)nc3ccc(C)cn3c2=O)SC1=S 2314399968 GFOVEOFZYIXWGP-UHFFFAOYSA-N 499.662 3.096 10 10 JGCE COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 2728919 ZKNFZSFPCSVTMB-DHDCSXOGSA-N 492.315 3.144 10 10 JGCE O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccncc2)SC(=S)N1CCS(=O)(=O)O 33808821 VSLMNJKJGFEYFA-ATVHPVEESA-N 472.573 3.023 10 10 JGCE CCNC(=O)N(CCOC)Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(OC)cc1 37421856 HMVXOHHHWWDQME-UHFFFAOYSA-N 493.626 3.487 10 10 JGCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(CCCC(=O)OC)C2=O)cc1OC 40938561 LBVREMLVCVXEJE-QGOAFFKASA-N 480.608 3.097 10 10 JGCE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCSc2nccs2)CC1 1705987822 MRPZFUPSOHDEBK-UHFFFAOYSA-N 453.597 3.124 10 10 JGCE COc1ccc(N2CCN(C(=O)CNC(=O)c3ccc4nc(-c5ccccc5OC)[nH]c4c3)CC2)cc1 1862079042 LWXUZIDUVHGVGN-UHFFFAOYSA-N 499.571 3.326 10 10 JGCE CCOC(=O)c1c(NC(=O)CCN2C(=O)CSC2=S)sc2c1[C@H](C(=O)OCC)CCC2 1865768395 RGUGPCXGKKHTDV-LLVKDONJSA-N 484.621 3.097 10 10 JGCE [N-]=[N+]=N[C@@H]1CCN(C(=O)c2cc(I)cc(I)c2O)C1 1912152967 CJGLEEAUYTWNMT-SSDOTTSWSA-N 484.035 3.126 10 10 JGCE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NCc1ccc(O)c(O)c1O 2084900519 XDUSBQMQSYKPIX-UHFFFAOYSA-N 455.552 3.091 10 10 JGCE CCC(=O)NCCc1c(C=C2C(=O)NC(=S)N(CCc3ccccc3)C2=O)[nH]c2ccccc12 2297638882 BNOWOAZFMFGBNH-UHFFFAOYSA-N 474.586 3.106 10 10 JGCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1cccc(OC)c1OC 2313683172 TTZOHIWXUSPDOF-UHFFFAOYSA-N 454.439 3.264 10 10 JGCE COc1cc(C=C2SC(=S)N(CCCC(=O)NCCCCCC(=O)O)C2=O)ccc1O 2314831893 VERRONYSAAJQLK-UHFFFAOYSA-N 466.581 3.143 10 10 JGCE Cc1ccc(C=C2SC(=S)N(CC(=O)Nc3cc(C(=O)O)ccc3C(=O)O)C2=O)cc1 2314935032 MKHUKLSPXWOQBT-UHFFFAOYSA-N 456.501 3.231 10 10 JGCE CCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)OC)C2=O)c2cc(Br)ccc21 40938536 LOSBLKXSJTVFJH-PFONDFGASA-N 469.382 3.340 10 10 JGCE CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/Nc1ccc(C(=O)O)c(O)c1 104977587 KNNQFOCNSCEWPF-OQLLNIDSSA-N 463.231 3.414 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(Br)c(F)cc3F)cc2)CC1 1632944618 DLPPDEQWFJTLIZ-UHFFFAOYSA-N 452.299 3.326 10 10 JGCE CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc(-c4cccs4)c(CC(=O)O)s3)ccc21 1858004207 RUKSYDXULDASNR-UHFFFAOYSA-N 463.562 3.209 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)CCc3ccc(Br)cc3)CC2)cc1 1861947919 IXDRWHKKLAZIIA-KRWDZBQOSA-N 474.399 3.244 10 10 JGCE CCc1ccccc1OCC(=O)N[C@@](C)(CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862278625 YPXGUDOZHSOKKM-SANMLTNESA-N 453.583 3.270 10 10 JGCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCCc1ccc(OC)cc1)[C@H]2c1ccc(O)c(O)c1 1864010103 PIACJXAABMQDTQ-QFIPXVFZSA-N 478.549 3.075 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)Cc3nc(-c4cccc(F)c4)oc3C)CC2)cc1 1868636833 MBRFKPWQGBJFKN-KRWDZBQOSA-N 480.540 3.194 10 10 JGCE Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(I)o3)C(=O)NC2=S)c1 2053497759 CHTNSHZXFIWSQO-UHFFFAOYSA-N 452.273 3.332 10 10 JGCE COCCCN1C(=O)C(=Cc2c(NCCCOC(C)C)nc3ccc(C)cn3c2=O)SC1=S 2296846705 WINANCBMPBQMOY-UHFFFAOYSA-N 490.651 3.468 10 10 JGCE O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 2297617500 WDOHBPCHEKKVOY-UHFFFAOYSA-N 499.435 3.376 10 10 JGCE O=C(O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 2314650440 HFKFOMLZLYFQAS-CYBMUJFWSA-N 462.461 3.374 10 10 JGCE C[C@@H](Oc1ccccc1C=C1SC(=S)N([C@H](Cc2ccccc2)C(=O)O)C1=O)C(=O)O 2314926222 DJFYIMHVZQHGDD-CZUORRHYSA-N 457.529 3.436 10 10 JGCE O=C1/C(=C\c2c(N3CCOCC3)nc3ccccn3c2=O)SC(=S)N1CCCc1ccccc1 12940358 OGWKPUGTFOHDSK-LVZFUZTISA-N 492.626 3.365 10 10 JGCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCC(=O)O)C3=O)c(N3C[C@@H](C)C[C@@H](C)C3)nc12 33450859 SJSXLOZJWJRATR-UQROUUEPSA-N 486.619 3.161 10 10 JGCE COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 35190693 HSBYFCIYCTYRFH-ZDLGFXPLSA-N 472.544 3.307 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)c3cccc(CS(=O)(=O)c4ccccc4)c3)CC2)cc1 742919027 AFKSLSWRZWOVGY-UHFFFAOYSA-N 493.629 3.221 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cnc(NC(=O)OC(C)(C)C)s3)cc2)CC1 1625199276 UCUDFYQOIUQJSQ-UHFFFAOYSA-N 459.572 3.089 10 10 JGCE CC(=O)c1cc(Cl)cc(CN2CC[C@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)c1O 1655415653 KRBIKHQWHXXOOJ-UHOSZYNNSA-N 479.961 3.263 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](CC(C)C)N3C(=O)c4cccc(OC)c4C3=O)CC2)cc1 1865850056 LAJAOXDJWPWFQY-OAQYLSRUSA-N 465.550 3.063 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCc4cccnc4)[nH]c(=Nc4cccc(C)c4)[nH]3)CC2)cc1 1871649591 MUTQJPJXJUYLOW-UHFFFAOYSA-N 482.592 3.110 10 10 JGCE CCOc1ccccc1C(=O)NCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S 2042449815 SHDMAYSRNGHIPR-UHFFFAOYSA-N 456.545 3.445 10 10 JGCE Cc1ccc2nc(NCC(C)C)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 2296732302 SNDMPEXPVFNTEA-OAHLLOKOSA-N 458.609 3.451 10 10 JGCE CCOC(=O)N1CCN(NC(=O)CCCN2C(=O)C(=Cc3ccc(CC)cc3)SC2=S)CC1 2297307688 UCUXXLNQRCBRCA-UHFFFAOYSA-N 490.651 3.036 10 10 JGCE NC(=O)C1CCN(c2nc3ccccc3cc2C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)CC1 2314650428 GNOOCKADWSDYRE-SFHVURJKSA-N 482.631 3.317 10 10 JGCE COC(=O)CC[C@H]1CN(Cc2ccccc2O)CC[C@H]1N1CCN(c2ccccc2OC)CC1 12152998 BAMAHTQDTVZHLG-JTHBVZDNSA-N 467.610 3.367 10 10 JGCE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3cccc(F)c3)c3ccco3)CC2)cc1 38598280 UGGTYHVSEYEISP-JOCHJYFZSA-N 459.543 3.269 10 10 JGCE CCN(CC)c1ccc(CN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H]2CCS(=O)(=O)C2)cc1 54311011 HWCORWDOLYKZSC-NRFANRHFSA-N 475.567 3.036 10 10 JGCE COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)NCCCC(=O)O)C2=O)cc(OC)c1O 210754296 WYVNQBLLBPOTNX-GHRIWEEISA-N 496.607 3.152 10 10 JGCE C[C@H](OC(=O)[C@@H](C)NC(=O)c1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 763947069 CVBXFOJSKJQLAV-CVEARBPZSA-N 470.481 3.151 10 10 JGCE CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2CCCSc2nccs2)[C@@H](C)C1 1359390395 DUCVYLQEIKIHOK-DOTOQJQBSA-N 450.634 3.216 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)COc3c(C)ccc(C)c3C)CC2)cc1 1862200192 OEKBBVQMQQREKP-QHCPKHFHSA-N 483.634 3.250 10 10 JGCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864021307 ADVUWNXPSZUKPL-ZBEGNZNMSA-N 489.454 3.307 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCCc4cnc[nH]4)nc(Nc4ccc(C)cc4)[nH]3)CC2)cc1 1871476567 VZTPHWDBSODWRT-UHFFFAOYSA-N 485.596 3.058 10 10 JGCE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@H]1CCN(C(=O)OC(C)(C)C)CCN1 1952346742 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MQRCANGYDROJAG-RYEIUNSYSA-N 498.586 3.383 10 10 JGCE COc1ccc(N2CCN(C(=O)C3CCN(C(=O)c4ccc(-c5noc(C)n5)cc4)CC3)CC2)cc1 33254431 JBBWFPGTNRTWIY-UHFFFAOYSA-N 489.576 3.255 10 10 JGCE O=C(CCCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)N1CCOCC1 33413961 QBCFTLHTEMRKJK-NTCAYCPXSA-N 455.399 3.289 10 10 JGCE COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@H](C(=O)NCCN(C)C)[C@@H]3C2)cc1 247956935 DDPOKFGJWDHBJP-GMAHTHKFSA-N 476.543 3.259 10 10 JGCE CCCOc1ccc(Cc2nn3c(=O)c(=Cc4ccc(N(CC)CC)cc4)sc3nc2=O)cc1 254439652 UQGKGJWTXXHRHP-UHFFFAOYSA-N 476.602 3.285 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)/C=C/c3ccc(C)cc3)CC2)cc1 1861943426 DWJJEKXDEAMXKQ-LZMFZKJZSA-N 451.592 3.267 10 10 JGCE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864011675 JUTWNXINQIGBOA-OAQYLSRUSA-N 466.513 3.257 10 10 JGCE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CCC)[C@@H]1c1ccc(O)c(O)c1 1864022180 VJIPGHPUKBRNKQ-FQEVSTJZSA-N 472.586 3.284 10 10 JGCE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865027609 ZSRKPGMRBNZGTP-QFIPXVFZSA-N 478.524 3.497 10 10 JGCE COCCC(=O)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nn1-c1ccc(Cl)cc1 1869971160 ZZBFDLAJPCQVHX-UHFFFAOYSA-N 470.961 3.231 10 10 JGCE COc1ccc(N2CCN(c3nc(=NC[C@H](C)O)nc(Nc4ccc(Cl)c(C)c4)[nH]3)CC2)cc1 1871663913 SCMPLJUDYFWBDD-KRWDZBQOSA-N 484.004 3.127 10 10 JGCE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)ccc1O[C@H](C)C(=O)O 2293485612 UZLHAYBLQNCKKG-CQSZACIVSA-N 454.504 3.077 10 10 JGCE O=C(O)COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Cl 2294216809 BRRKLBQERHVGKN-UHFFFAOYSA-N 451.287 3.288 10 10 JGCE O=C1NC(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(CC(=O)N2CCCCC2)c2ccccc12 2313631684 WEUXSOYGKDLPNV-UHFFFAOYSA-N 462.550 3.448 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cc(N4CCN(CC=Cc5ccccc5)CC4)ncn3)CC2)cc1 2326615501 DBIONLIEUAWGAM-UHFFFAOYSA-N 498.631 3.283 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)C=Cc3cccc([N+](=O)[O-])c3)CC2)cc1 2328598771 BUGBOWJWWDDIJM-QHCPKHFHSA-N 498.605 3.203 10 10 JGCE COc1ccc(N2CCN(c3ncc4c(n3)CCN(Cc3ccc(OC)c(OC)c3)C4)CC2)cc1 21039477 JXBVYMXKSHGLCX-UHFFFAOYSA-N 475.593 3.387 10 10 JGCE O=C1[C@H]2[C@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 59098832 XNJSGUASGXONHK-HKBOAZHASA-N 486.411 3.429 10 10 JGCE CCOc1cc(/C=C2\SC(=S)N(CCCC(=O)OC)C2=O)ccc1OCC(=O)N(CC)CC 206861413 VSRWIEOUIGYVQN-RGEXLXHISA-N 494.635 3.487 10 10 JGCE CN(C)c1ccc([C@H](CNCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)N(C)C)cc1 257630817 GTZIGQCBVTXWAU-DEOSSOPVSA-N 472.655 3.002 10 10 JGCE CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@H](C)N(C)C)CC1 1722769335 JIMVKGULSBZOIX-FQEVSTJZSA-N 463.630 3.361 10 10 JGCE COc1ccc(N2CCN(C(=O)CNC(=O)c3ccc4[nH]c(-c5ccc(F)cc5)nc4c3)CC2)cc1 1862094890 VLXVYTGHTWSSIQ-UHFFFAOYSA-N 487.535 3.456 10 10 JGCE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864008807 SLNKNYJXLALNRQ-QFIPXVFZSA-N 460.534 3.404 10 10 JGCE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2 1864019395 KBLONMLJVJFCPO-HXUWFJFHSA-N 498.967 3.347 10 10 JGCE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865031144 ZUBWVPPYOGIRIM-FQEVSTJZSA-N 463.538 3.194 10 10 JGCE CN(C)c1ccc([C@H](CNC(=O)[C@@H](CO)NC(=O)c2cccc3ccccc23)N2CCCCC2)cc1 1867672453 WJRFKHOXKCWDQA-SXOMAYOGSA-N 488.632 3.340 10 10 JGCE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccc5OC)CC4)nc(C)n3)CC2)cc1 1867990409 LGYIUQOGOHFKHT-UHFFFAOYSA-N 474.609 3.455 10 10 JGCE CCN(CC)C(=O)COc1cn(CC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870628688 FORZUVFYMUDURL-UHFFFAOYSA-N 484.641 3.082 10 10 JGCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCc3ccc(F)cc3)n4C)CC2)cc1 1873565358 AABHSXDRFYQDDW-UHFFFAOYSA-N 474.540 3.373 10 10 JGCE CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OC(=O)c4ccccc4Cl)cc3)C(=N)N21 2297345422 VDUHDTLPVTULLI-UHFFFAOYSA-N 488.934 3.180 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccccc4[N+](=O)[O-])cc3)C(=N)N21 2297345648 OXFHPFQMCRGBTK-UHFFFAOYSA-N 499.530 3.185 10 10 JGCE CCCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc5[nH]c(=O)oc5c4)n3)cc21 11857882 ORWOGAZXMCDUGG-UHFFFAOYSA-N 486.531 3.181 10 10 JGCE COc1ccc(N2CCC(NS(=O)(=O)c3cc(Br)ccc3OC)CC2)cc1 726600047 AHLNXJDMSOYDDM-UHFFFAOYSA-N 455.374 3.414 10 10 JGCE COCCCN1C(=O)c2ccc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1865887918 XPGWWNNBLGSNFU-VWLOTQADSA-N 492.620 3.342 10 10 JGCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccccc4Br)n(C)n3)CC2)cc1 1869969089 CZJDFQYBRJNIRH-UHFFFAOYSA-N 471.359 3.165 10 10 JGCE CCN1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCC(C)C)C2=O)CC1 2040499054 SPUYDTTVIHUCDS-UHFFFAOYSA-N 471.652 3.084 10 10 JGCE CCc1nn([C@H](c2ccc(OC)cc2O)C2(C)CC2)c(I)c1C(N)=O 2079979843 VPNCBTPYPLLEIX-OAHLLOKOSA-N 455.296 3.253 10 10 JGCE O=C(COc1ccccc1C=C1C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1 2297625021 FPVFYVJVHJZCKL-UHFFFAOYSA-N 486.440 3.279 10 10 JGCE Cc1c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(N2CCC[C@@H](C)C2)n(C)c(=O)c1C#N 39989546 GAWLDNRDNFKZRO-IGJDGKQOSA-N 472.636 3.182 10 10 JGCE CCOC(=O)C1=C(C)N=c2sc(=Cc3c[nH]c4ccccc34)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 252672298 PVNMXRCZZJZTHX-XMMPIXPASA-N 486.597 3.346 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)Nc3ccccc3N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 743298692 DZPXZJJXYFMXBP-SFTDATJTSA-N 467.614 3.253 10 10 JGCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2ccncc2)[C@H]3c2ccc(O)c(O)c2)cc1 1864008272 HENACCMKLSRCOF-DEOSSOPVSA-N 497.555 3.365 10 10 JGCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCc1cccc(Cl)c1)[C@H]2c1ccc(O)c(O)c1 1864010761 WEKBLYNOXBYBPB-IBGZPJMESA-N 454.914 3.287 10 10 JGCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CCC)CC1)=C(N)O2 1865030035 AUBBAHSJOUZHDF-QFIPXVFZSA-N 497.640 3.152 10 10 JGCE CCc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1867956357 ZGTFTDSZQWBKAV-UHFFFAOYSA-N 482.629 3.431 10 10 JGCE COc1ccc(N2CCN(c3cc(N4CCC[C@H](CO)C4)nc(-c4cccnc4)n3)CC2)cc1 1868004460 BCKZXQGDKWWWTN-FQEVSTJZSA-N 460.582 3.083 10 10 JGCE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 2123373030 PDHQQWQJTDCXLN-IVZQSRNASA-N 490.512 3.137 10 10 JGCE O=C(O)CCCN1C(=O)C(=Cc2cn(CC(=O)NC[C@H]3CCCO3)c3ccccc23)SC1=S 2326945297 NCFCXKMJLJWBIS-MRXNPFEDSA-N 487.603 3.003 10 10 JGCE CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)[C@@H](C)O4)cs2)cc1 11857876 WZWOLPKUZOXTNT-GFCCVEGCSA-N 472.548 3.313 10 10 JGCE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCC(=O)O)C2=O)c1 33607251 GZXFECQOEPLSEQ-FOWTUZBSSA-N 467.528 3.471 10 10 JGCE COc1cc(/C=C2\SC(=S)N(CC(=O)OC3CCCCC3)C2=O)cc([N+](=O)[O-])c1O 40885211 NCDGQLNEDQNVIY-DHDCSXOGSA-N 452.510 3.386 10 10 JGCE CCOc1cc(/C=C2/SC(=S)N(CCC(=O)OC)C2=O)ccc1OCC(=O)N1CCCCC1 40937923 ILNVOIOZFUBGKW-XMHGGMMESA-N 492.619 3.241 10 10 JGCE COc1ccc(Oc2cc3c(cc2NS(=O)(=O)c2cccc4nsnc24)n(C)c(=O)n3C)cc1 64591919 ADRFMCRIGQHYNY-UHFFFAOYSA-N 497.558 3.483 10 10 JGCE Cc1cc(C(=O)N2CCCN(CC(=O)N(C)C)CC2)c(C)n1-c1cccc(Br)c1 109120400 MUQYNFNQDZLLFJ-UHFFFAOYSA-N 461.404 3.093 10 10 JGCE COCCN1C(=O)/C(=C\c2cn(CCOc3ccc(OC)cc3)c3ccccc23)C(=O)NC1=S 254402886 NBRHHIJPKBJAOM-QNGOZBTKSA-N 479.558 3.002 10 10 JGCE CC(=O)N(C)C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOCCCO)CC1 1722745377 BMQDKCGYVFIVIE-UHFFFAOYSA-N 494.640 3.199 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cc(N=c4nc(O)c5ccccc5[nH]4)ccc3O)CC2)cc1 1858173948 DEDFDTDYTYCSKU-UHFFFAOYSA-N 471.517 3.178 10 10 JGCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2 1865030364 IKGYDWNHWDNFNH-UTKZUKDTSA-N 484.597 3.115 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)Cc3nc(-c4ccc(C)cc4)oc3C)CC2)cc1 1868638247 GUKAVNOLGRTWOO-IBGZPJMESA-N 476.577 3.363 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)Cc3ccc4nc(O)c(C)cc4c3)CC2)cc1 1868815277 WMVPFDDQLSGCON-UHFFFAOYSA-N 476.577 3.044 10 10 JGCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(OC)c3OC)C2=O)c1 2294093856 XLIGMGXTFXHRMF-UHFFFAOYSA-N 470.478 3.176 10 10 JGCE CC(=C/c1ccccc1)/C=C1\SC(=S)N(CCC(=O)NCCCN2CCOCC2)C1=O 33932668 ZXOGONLHNSWSJF-UJRWZAMLSA-N 459.637 3.063 10 10 JGCE O=C1[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 59383073 WJHWBWAJIUWKAC-HKBOAZHASA-N 468.421 3.290 10 10 JGCE CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccccc1 96459640 LRBJPTACUKKTHB-GESHDMKESA-N 484.559 3.286 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)NCc3c(C)nn(Cc4ccccc4)c3C)CC2)cc1 743357660 AMFQLYARZCCIIN-UHFFFAOYSA-N 476.625 3.178 10 10 JGCE O=C(O)CCCN1C(=O)/C(=C\c2cn(CC(=O)NC[C@H]3CCCO3)c3ccccc23)SC1=S 1860826793 NCFCXKMJLJWBIS-YDDPGSGASA-N 487.603 3.003 10 10 JGCE COc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862303087 MYIXIBVFQDZINJ-MHZLTWQESA-N 487.600 3.323 10 10 JGCE CC(C)(C)OC(=O)N1CCc2c(N3CCC[C@H](CNC(=O)C(F)(F)F)C3)ccc(N)c2C1 2106835196 BNYKHIQDJYLITR-CQSZACIVSA-N 456.509 3.457 10 10 JGCE Cc1cc(N2CCOCC2)ccc1C=C1C(=O)NC(=O)N(c2cccc(Br)c2)C1=O 2294106407 KLTUDRTXWGIJJR-UHFFFAOYSA-N 470.323 3.261 10 10 JGCE Cc1ccc(N2C(=O)NC(=O)C(=CNc3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)cc1 2313548327 SFQVZPTZELRSIQ-UHFFFAOYSA-N 460.450 3.285 10 10 JGCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1O 2313549516 YDMFGOXDSMUXGN-UHFFFAOYSA-N 461.268 3.228 10 10 JGCE CCN1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2C)C1=O 2313631202 FUFGVYPCHDPIMA-UHFFFAOYSA-N 465.510 3.474 10 10 JGCE C[C@@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCCC(=O)O)C2=O)C1 2314399949 FKTKZZFQHWXTOM-HUUCEWRRSA-N 486.619 3.243 10 10 JGCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(OC)c4)c3C)C(=O)N=C2S1 20208607 NPAHJRVWIPMIDN-QLAZQOFOSA-N 471.564 3.114 10 10 JGCE COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)Nc3ccc(C)cc3)c3ccco3)CC2)cc1 38619569 AQEHGHPKRONNMP-QHCPKHFHSA-N 462.550 3.215 10 10 JGCE Cc1cc(=O)oc2cc(O[C@H]3O[C@@H]4CO[C@@H](c5ccccc5)O[C@@H]4[C@H](O)[C@H]3N=[N+]=[N-])ccc12 110345794 MYWUUBHOPGUEKN-VUOLKEHKSA-N 451.435 3.359 10 10 JGCE COC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 254745165 PKRIKUXGMIAAJK-XMMPIXPASA-N 491.613 3.261 10 10 JGCE CC(=O)NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(O)c(O)c2)cc1 526139173 KRKUEQMTUAOAOH-HXUWFJFHSA-N 486.527 3.041 10 10 JGCE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526314230 WRFTYNUHPCZXGY-JOCHJYFZSA-N 482.514 3.201 10 10 JGCE CN(C)c1cccc(NC(=O)c2ccc(CN3CCN(C(=O)C(F)(F)Cl)CC3)cc2)c1 1860886466 RUQOBUHTKPRTTJ-UHFFFAOYSA-N 450.917 3.481 10 10 JGCE COCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1864016782 XHQQMXDQSDOIHO-FQEVSTJZSA-N 478.549 3.075 10 10 JGCE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864017263 IWBBPXLPFIZYDS-QFIPXVFZSA-N 483.528 3.252 10 10 JGCE CCCC[C@H](NC(=O)[C@@H](c1ccccc1)N(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868674973 HJIYBYCGFFSLOJ-LOSJGSFVSA-N 466.626 3.322 10 10 JGCE CCCN1C(=O)C(=Cc2c(N3CCC(C(=O)OCC)CC3)nc3ccccn3c2=O)SC1=S 2040499429 YCBNCLXYIDTFIP-UHFFFAOYSA-N 486.619 3.085 10 10 JGCE CCOc1ccc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1I 2294353255 LUCLVXBIKNHBEH-UHFFFAOYSA-N 468.291 3.484 10 10 JGCE O=C(Cn1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc21)NCc1ccco1 2297617344 GWZYZLWVXSCMEG-UHFFFAOYSA-N 474.517 3.345 10 10 JGCE Cc1ccccc1N1C(=O)N=C(O)/C(=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)C1=O 33930504 AHJLPKIUNOKPEF-ATVHPVEESA-N 451.460 3.409 10 10 JGCE CCOC(=O)c1cnn2c(O)cc(CN(C[C@H](O)COc3cccc4ccccc34)C(C)C)nc12 58407065 NZHJFPOFSZRINQ-FQEVSTJZSA-N 478.549 3.415 10 10 JGCE CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc21 1208091951 ASNYANDMGHTJGA-SFHVURJKSA-N 457.596 3.204 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)Cc3ccccc3)CC2)cc1 1861961828 CKARBVRRAPOALJ-AREMUKBSSA-N 457.574 3.314 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)CCCOc3ccccc3Cl)CC2)cc1 1862225734 TXPGNPQBJSCVNE-SFHVURJKSA-N 459.974 3.361 10 10 JGCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCc1ccc(F)cc1)[C@H]2c1ccc(O)c(O)c1 1864021498 OVPGPTBXWBCHJI-NRFANRHFSA-N 480.540 3.459 10 10 JGCE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc(OC)cc1)=C(N)O2 1864021894 RLHLIZDWYORBPO-SPLOXXLWSA-N 478.549 3.457 10 10 JGCE COc1ccc([C@@H](C2CC2)n2nc(C(F)(F)F)c(C(N)=O)c2I)c(O)c1 2079844423 MAAUQXBDLRBRSM-GFCCVEGCSA-N 481.212 3.319 10 10 JGCE CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(CCC(=O)O)C1=O 2296547570 CCFBXZCZVXXMSW-UHFFFAOYSA-N 474.608 3.305 10 10 JGCE CCOc1cc(C=C2C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C(F)(F)F)cc(Cl)c1O 2297459209 JMQMIYVZXJAJKU-UHFFFAOYSA-N 489.859 3.440 10 10 JGCE COc1cc(C=C2SC(=S)N(C)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 2313538507 LTLRJDJWLSWWDJ-UHFFFAOYSA-N 466.518 3.202 10 10 JGCE Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)[C@@H](C)O)cc1C 8760981 WOHMVBUWSLHCMV-NLFFAJNJSA-N 498.601 3.165 10 10 JGCE COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)Nc3cc(C)ccc3OC)c3ccco3)CC2)cc1 38619708 OHMBLNVRERRSQD-QHCPKHFHSA-N 492.576 3.223 10 10 JGCE CC(C)OCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(C[C@@H]2CCCO2)C1=O 97475168 PEFBJVWAZCSACE-HZGBGQKMSA-N 488.635 3.302 10 10 JGCE CCc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@](C(=O)O)(c2ccccc2)N[C@H]3c2cccc(OC)c2O)cc1 251924387 CADOALNAMLLPSU-WYNJNVBPSA-N 486.524 3.393 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)/C=C/c3ccc(OC)c(OC)c3)CC2)cc1 1861935376 IERNKYUKYMYJIM-ZCHVWDMZSA-N 479.577 3.065 10 10 JGCE C[C@@H](NC(=O)[C@H](c1ccccc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866693273 DRXTWSQDQAVVGF-MWTRTKDXSA-N 455.514 3.208 10 10 JGCE O=C(Cc1cc(-c2ccccc2)on1)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868144242 VEUGHNYNSZFXBV-UHFFFAOYSA-N 465.465 3.414 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cc(C)n(-c4ccccc4F)n3)C(C)C)CC2)cc1 1868989206 OFHZGRODDUZVPN-VWLOTQADSA-N 493.583 3.432 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4Cl)cn3CCO)CC2)cc1 1870342329 XICAGAJYULPUBD-UHFFFAOYSA-N 483.996 3.404 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCCO)cn3Cc3cccc(C)c3)CC2)cc1 1870359185 SCVDIAMKZWZTKI-UHFFFAOYSA-N 477.605 3.297 10 10 JGCE COCCN1C(=O)C(=Cc2c(NCc3ccccc3)nc3ccccn3c2=O)SC1=S 2296727038 IKLJMFUYDDVTSX-UHFFFAOYSA-N 452.561 3.154 10 10 JGCE NS(=O)(=O)c1ccc(CCN2C(=O)C(=Cc3ccccc3OC(F)F)SC2=S)cc1 2313830505 ZTBBSRZECZCXIE-UHFFFAOYSA-N 470.544 3.379 10 10 JGCE CCN(CC)c1ccc(CN(C[C@H](O)COc2cccc(C(C)=O)c2)[C@@H]2CCS(=O)(=O)C2)cc1 40319344 DFXDPDBYZYNZQE-RPBOFIJWSA-N 488.650 3.164 10 10 JGCE COc1ccc(N2CCN([C@@H](CNC(=O)c3ccc(OC)c(OC)c3)c3cccnc3)CC2)cc1 56896159 PFOLZEAIGDXVMV-DEOSSOPVSA-N 476.577 3.401 10 10 JGCE CN(C)c1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2C(=O)/C=C2/SC(=O)NC2=O)cc1 101453872 HOIPYHOWNYOFAH-LPGQDOADSA-N 465.491 3.205 10 10 JGCE COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1[N+](=O)[O-] 1084096855 FNDZNNQIDTYFID-JYRVWZFOSA-N 460.240 3.341 10 10 JGCE O=C(N=c1[nH]nc(C2CCCCC2)s1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1860742096 ODNUBPYGLKUVGQ-UHFFFAOYSA-N 460.515 3.360 10 10 JGCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCc1ccccc1Cl)[C@@H]2c1ccc(O)c(O)c1 1864010449 SUJJAAXQIIQYTA-LJQANCHMSA-N 454.914 3.287 10 10 JGCE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864012833 KHYLDRBKTUIMPX-OAQYLSRUSA-N 460.534 3.268 10 10 JGCE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC13CC4CC(CC(C4)C1)C3)=C(N)O2 1864019603 NDCXSPHPBWDPGJ-UDMIXPFTSA-N 464.566 3.173 10 10 JGCE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCCC1)[C@H]2c1ccc(O)c(O)c1 1865033712 GXTFKENLPCVVKE-FQEVSTJZSA-N 476.533 3.307 10 10 JGCE CCCC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868793891 UNLVVAUNAZBERP-OFVILXPXSA-N 492.620 3.072 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@H]3CCCO3)C(=O)N(CCOC(C)C)C2=O)cc1 1873166774 YNUKTUUNICOMFZ-JOCHJYFZSA-N 451.567 3.368 10 10 JGCE CCOCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCCOC)C1=O 2040499451 YIYVVUSINGBZQF-UHFFFAOYSA-N 476.624 3.079 10 10 JGCE CC(=O)N1C(=O)C(=C2SC(=S)N([C@H](C(=O)O)C(C)C)C2=O)c2cc(Br)ccc21 2294850861 KOAJGTMPRSPOJA-ZDUSSCGKSA-N 483.365 3.023 10 10 JGCE COc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1 2297345167 YQOGBNBFTBQUOH-UHFFFAOYSA-N 488.572 3.403 10 10 JGCE COc1ccc(N2C(=O)C(=Cc3cc(Br)c(N4CCCC4)o3)C(=O)NC2=S)cc1 2313565136 UPICPCRSQCSRMW-UHFFFAOYSA-N 476.352 3.482 10 10 JGCE CC[C@@H](Oc1cccc(C=C2SC(=S)N([C@H](CCSC)C(=O)O)C2=O)c1)C(=O)O 2314928212 RGRRGNMCRMTIAX-ZIAGYGMSSA-N 455.579 3.336 10 10 JGCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(NC(=O)Cc3ccccc3)C2=O)cc1OC)C(=O)O 2314933337 VGYIWAXRCVZYLK-MRXNPFEDSA-N 486.571 3.412 10 10 JGCE CC[C@@H](C)N1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(CC)CC2)SC1=S 33478257 QEXGJBVRBLNFGU-DQPIFXJKSA-N 473.668 3.190 10 10 JGCE CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OC 1083934746 UYEITJZPJQPMFL-JYRVWZFOSA-N 492.912 3.261 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)C[C@H]3CC[C@@H](NC(=O)OC(C)(C)C)C3)cc2)CC1 1138230525 WAKMWOLMEXXZLM-LEWJYISDSA-N 458.603 3.055 10 10 JGCE CC[C@@](C)(NC(=O)[C@@H]1CCCN1Cc1ccccc1F)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868821783 PDCLFRGKBFERHO-LBNVMWSVSA-N 496.627 3.432 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCOC(C)C)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873165183 HMRFWJSBPVGMAV-UHFFFAOYSA-N 475.593 3.475 10 10 JGCE O=C1C(=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c2ccccc2N1Cc1ccccc1F 2038109063 MXLNZSGUWRMKPL-AWEZNQCLSA-N 488.587 3.131 10 10 JGCE O=C1C(=Cc2c(N3CCOCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 2314414188 RTUCOHPIMMSZBE-UHFFFAOYSA-N 482.562 3.072 10 10 JGCE COc1ccc(C=C2SC(=S)N(NC(=O)C3CCCCC3)C2=O)c(C(=O)O)c1OC 2314930143 YARGFICOYQIJDN-UHFFFAOYSA-N 450.538 3.215 10 10 JGCE CC[C@@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccccc3OC)C2=O)c1)C(=O)O 2314930610 GPDJGURQSUICEE-MRXNPFEDSA-N 472.544 3.483 10 10 JGCE CN(C)c1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3nnc(C(=O)Nc4ccccc4)s3)C2)cc1 33263465 XZEFONLTQCCVSY-SFHVURJKSA-N 492.605 3.025 10 10 JGCE CC[C@@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(C2CCCC2)C1=O 102909488 NLCNGTPQVSWNSO-MPMPPSQCSA-N 458.609 3.330 10 10 JGCE O=C(CN1C(=O)/C(=C\c2cccc(F)c2)SC1=S)Nc1cc(C(=O)O)cc(C(=O)O)c1 210489710 KHTUGXFSWRPSFD-PJQLUOCWSA-N 460.464 3.062 10 10 JGCE CCN(CC)c1ccc(CN(C[C@@H](O)COc2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)cc1 256037810 IHLQQTPTJFGCSK-XZOQPEGZSA-N 464.603 3.101 10 10 JGCE CC(=O)N1CC[C@@H](CN(C)c2nnc([C@@H]3CCCCO3)n2CCCSc2nccs2)C1 1705963139 SQPXTYDWSCTTSK-ROUUACIJSA-N 464.661 3.463 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)CCc3ccccc3)CC2)cc1 1862285356 DJZPUJPTUXYFPY-HHHXNRCGSA-N 487.600 3.410 10 10 JGCE CN(CCCN=[N+]=[N-])C(=O)c1cc(I)cc(I)c1O 1912146020 OJHHUCROMLDNSF-UHFFFAOYSA-N 486.051 3.374 10 10 JGCE CC(C)(C)OC(=O)N1CCN(CCC(=O)Nc2ccc(N)cc2)CCN1C(=O)OC(C)(C)C 2106756278 FSEGYOAOFPHRDQ-UHFFFAOYSA-N 463.579 3.302 10 10 JGCE COc1ccc(N2CCN(C(=O)COC(=O)c3cccc(OCc4cscn4)c3)CC2)cc1 24361128 GRRIRGFPEOYVIL-UHFFFAOYSA-N 467.547 3.236 10 10 JGCE CCOC(=O)Cn1cc(/C=C2/C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)c2ccccc21 33155148 VELTUONGUKAHMB-QNGOZBTKSA-N 475.501 3.230 10 10 JGCE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCc1ccc(N2CCNC(=O)C2)cc1 106188231 VTYJXJCARKFTOZ-CYBMUJFWSA-N 466.763 3.122 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)N3CCC[C@H](CN4CCCCCC4)C3)CC2)cc1 728749284 PUTCTBGJKRBKBF-HSZRJFAPSA-N 457.663 3.115 10 10 JGCE Cc1cc2cc(CC(=O)NCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccc2nc1O 1868144038 KNKPRSUWABYWDR-UHFFFAOYSA-N 479.492 3.322 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCc3ncc4ccccn34)c3ccccc3)CC2)cc1 1868801585 IVAUSINBJDIFTP-NDEPHWFRSA-N 497.599 3.482 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCOc4ccccc4)cn3C[C@H](C)O)CC2)cc1 1870600286 KRFCKNCUYKUKMI-QFIPXVFZSA-N 493.604 3.018 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCN(C)C)C(=O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 1873164551 HDJCFGINJMDSBW-UHFFFAOYSA-N 486.572 3.254 10 10 JGCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2cccc([N+](=O)[O-])c2)N3)CC1 14471813 YVSKSSXGHOZZQE-MZKRTTBSSA-N 454.552 3.357 10 10 JGCE CC(C)CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(Br)cc3)C(=O)N=C2S1 20208674 GGMNPNZNRPPCHT-WVFLBDEYSA-N 455.359 3.097 10 10 JGCE COc1cccc(/C=C2/SC(=S)N(N[C@@H]3OC(=O)c4c3ccc(OC)c4OC)C2=O)c1OC 207329571 MDRDITZTRLIXHF-JVVYVMHDSA-N 488.543 3.296 10 10 JGCE COc1cccc(C(=O)NN2C(=O)/C(=C/c3cccc(OCCC(=O)O)c3)SC2=S)c1 210421794 OWGIZXPXEOFFNP-BOPFTXTBSA-N 458.517 3.095 10 10 JGCE CN1C(=O)/C(=C/c2ccc(C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)O)cc2)SC1=S 606672205 YVNNYVRIAVJWHZ-HSNFWNHWSA-N 465.556 3.425 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccc4nc[nH]c4c3)c3ccccc3)CC2)cc1 1862256778 KUZPOSPATRQAFA-VWLOTQADSA-N 469.545 3.391 10 10 JGCE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864008247 GOVYGLYGEXWOBZ-LJQANCHMSA-N 454.914 3.465 10 10 JGCE CCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1864011509 ISZBNIIDUGRUCN-HXUWFJFHSA-N 452.486 3.011 10 10 JGCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1cc(C)cc(C)c1)=C(N)O2 1864012733 HYGMTHVLUKBEEM-QFIPXVFZSA-N 492.576 3.290 10 10 JGCE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865035614 XNHXPXCRZKEPOY-NRFANRHFSA-N 478.524 3.361 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1 1952345840 HOFYEJOMZHJLDH-DLBZAZTESA-N 451.564 3.133 10 10 JGCE CCN1C(=O)C(=Cc2cc(C)n(-c3sc4c(c3C(=O)OC)CCCC4)c2C)C(=O)NC1=S 2313656671 VHHBFIQCKXHHMG-UHFFFAOYSA-N 471.604 3.468 10 10 JGCE O=C(Cc1ccccc1)NN1C(=O)C(=Cc2c[nH]nc2-c2cccc([N+](=O)[O-])c2)SC1=S 2314488900 PQVKXOMKZKZBJW-UHFFFAOYSA-N 465.516 3.460 10 10 JGCE COc1ccc(CN2CCC3(CC2)c2ccccc2[C@@H](NC(=O)CSC)[C@@H]3OC)c(O)c1 14884560 ZIJDETCRUOLWCT-RPWUZVMVSA-N 456.608 3.484 10 10 JGCE Cc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)cc1 20207492 CZAAUSOPJXZDBH-ZKEXVTLTSA-N 484.559 3.074 10 10 JGCE COCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(C)cc2)C1=O 35225864 DCGBPDFQLJVBTE-QGOAFFKASA-N 466.588 3.463 10 10 JGCE CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3F)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 59447088 OTELZJHSTLUGKO-FBHQFGEZSA-N 465.550 3.003 10 10 JGCE O=C(Nc1ccc(F)cc1C(=O)O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O 1859547656 IGCWSFUJAGNQBL-UHFFFAOYSA-N 462.389 3.301 10 10 JGCE COCCn1cc(OCc2c(C)noc2C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870562620 OTQJTWUVDMRKLB-UHFFFAOYSA-N 482.581 3.009 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCc4ccccn4)[nH]c(=Nc4cccc(C)c4)[nH]3)CC2)cc1 1871653157 HDKSOTRDNJMPKT-UHFFFAOYSA-N 482.592 3.110 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N(CCCCN(C)C)C2=O)cc1 1873167557 MEYOCMTUEQRPQQ-UHFFFAOYSA-N 479.669 3.447 10 10 JGCE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(CC(=O)O)C2=O)c1 2296851546 XJZDYWPAYIFEPA-UHFFFAOYSA-N 467.528 3.389 10 10 JGCE CCn1nc(C)c2ccnc(N3CCC(C(=O)NCc4ccc(N5CCN(C)CC5)cc4)CC3)c21 33173194 UFMVQAGUCBEBSL-UHFFFAOYSA-N 475.641 3.044 10 10 JGCE CC(C)OCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@H]1c1ccc(O)c(O)c1 1864016171 IXESZUSGHWAWGT-HXUWFJFHSA-N 478.549 3.124 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(O)c(O)c1 1864018758 CDDVVENTCMCUIR-GOSISDBHSA-N 499.365 3.439 10 10 JGCE CC(C)CNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1864023215 VYJUKAWNTNSAMZ-OAHLLOKOSA-N 468.476 3.436 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3cc(-c4cc(F)ccc4F)n(C)n3)CC2)cc1 1868937695 FPEUGEOHUSKMLD-UHFFFAOYSA-N 497.546 3.231 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)Cc3ccc(C)o3)CC2)cc1 1869040832 ZRMGJIFLBKZWOM-VWLOTQADSA-N 479.552 3.355 10 10 JGCE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 2200962016 GKHZQAKJTGQXFS-SJORKVTESA-N 479.574 3.001 10 10 JGCE COc1ccc(/C=C2\SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)cc1OC 1923960 LPPFSPGLCYADIA-BOPFTXTBSA-N 450.563 3.107 10 10 JGCE CN(C)c1ccc(CNC(=O)CN2C(=O)[C@H]3CCCCN3c3ccc(C(=O)N4CCCC4)cc32)cc1 8610788 QLGSSOKDUJMTHT-XMMPIXPASA-N 489.620 3.011 10 10 JGCE C[C@@H](C(=O)NCCCCCC(=O)O)N1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1=S 15048144 VXEQKHCYJVXVFW-SAIXKJTDSA-N 456.973 3.397 10 10 JGCE CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4cccs4)c(Cl)c3)C(=O)N=C2S1 20207988 HPQNAXFQWZECGF-LMFUVNESSA-N 494.963 3.242 10 10 JGCE CCOC(=O)C1CCN(Cc2cc(CN3CCC(C(=O)OCC)CC3)c3cccnc3c2O)CC1 33587244 PLVKNXFBVJCJLY-UHFFFAOYSA-N 483.609 3.491 10 10 JGCE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4cccnc4c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 59447098 NKEZMNKBFOSCJW-OWXSRONMSA-N 498.608 3.413 10 10 JGCE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccn3C)n2CCCSc2nccs2)C1 1540941760 YHNXPLODCOATRP-KRWDZBQOSA-N 459.645 3.227 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)Cc3nc(-c4cccc(OC)c4)oc3C)CC2)cc1 1868651451 CKLGYINFXVXFIX-SFHVURJKSA-N 492.576 3.063 10 10 JGCE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3C[C@@H](C)O[C@H](C)C3)ncnc21 1873547016 FXSRSRYTCWZKSC-RTBURBONSA-N 478.597 3.036 10 10 JGCE CCOc1c(Br)cc(C=C2SC(=S)N(CCN3CCOCC3)C2=O)cc1OC 2040490770 ZNINZIVFCSOKDZ-UHFFFAOYSA-N 487.441 3.390 10 10 JGCE COc1ccc(N2C(=O)C(=Cc3cccn3-c3cccc([N+](=O)[O-])c3)C(=O)NC2=S)c(OC)c1 2294262201 SZPGIFHLKISQAN-UHFFFAOYSA-N 478.486 3.234 10 10 JGCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C2=O)cc1 2296562388 KJRLODIKLNROKQ-UHFFFAOYSA-N 487.468 3.465 10 10 JGCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NC1CC(C)(C)NC(C)(C)C1 2313682234 YFSCDWMJMPLOES-UHFFFAOYSA-N 457.531 3.033 10 10 JGCE O=C(O)CCOc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1 2314932197 UDBKJHJVTPGKOZ-UHFFFAOYSA-N 498.991 3.288 10 10 JGCE COc1cccc(C=CC(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)c1 2330911301 JJGUDZPDTGANBK-UHFFFAOYSA-N 495.557 3.127 10 10 JGCE COCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(OC)cc3)c3ccccc32)SC1=S 1818256 HQETULVOKDEOCL-QZQOTICOSA-N 497.598 3.288 10 10 JGCE O=C(CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)NCCc1ccc(O)cc1 103040810 DNVCNRGBVXCMHS-XDHOZWIPSA-N 456.545 3.071 10 10 JGCE CC(=O)N[C@H]1CCOc2ccc(-c3csc(NS(=O)(=O)c4ccc(C(=O)O)cc4)n3)cc21 170549515 WFRIBQIRJXTIET-KRWDZBQOSA-N 473.532 3.269 10 10 JGCE CC(=O)N1CCC[C@@H](Cn2c(-c3cc(C)n(-c4ccccc4)c3C)nnc2N(C)[C@H](C)CC(N)=O)C1 1359369284 XVVJZTXUJKTLER-XMSQKQJNSA-N 491.640 3.311 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)C3=Cc4ccccc4O[C@H]3C(F)(F)F)cc2)CC1 1556199657 RJNKDQGZRVUQNK-JOCHJYFZSA-N 459.468 3.378 10 10 JGCE Cc1cccc(OCC(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)c1C 1858957333 ULPZFRIKAVYSOC-UHFFFAOYSA-N 483.546 3.058 10 10 JGCE CCc1sc(NC(=O)C(=O)N[C@@H](CC)CO)c(C(=O)OC)c1-c1ccc(Br)cc1 1860764102 ZJCWOJVBBJJHMN-ZDUSSCGKSA-N 483.384 3.352 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C3CCN(Cc4ccccc4)CC3)CC2)cc1 1861972575 USPHOIQNTZUTAX-UHFFFAOYSA-N 478.637 3.151 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1 1864015430 RCCPPFDJEGJETJ-INIZCTEOSA-N 490.438 3.142 10 10 JGCE COc1ccc([C@H](C(=O)NCC(=O)N2CCN(c3ccc(OC)cc3)CC2)C2CCCC2)cc1 1868880145 JCYPRVJSORBLLN-AREMUKBSSA-N 465.594 3.443 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(OC)c4)cn3C[C@@H](C)O)CC2)cc1 1870608397 DXUAXAGYYVGPDQ-OAQYLSRUSA-N 493.604 3.148 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nonc3OCCCCOc3ccccc3)CC2)cc1 1872676880 ALGFZNSZXUJWOA-UHFFFAOYSA-N 452.511 3.279 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccco3)CC2)cc1 1874642529 HDKJWWSESZLOHB-XMMPIXPASA-N 472.545 3.459 10 10 JGCE CCn1c(N2CCN(c3ccccc3)CC2)c(/C=C2\SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 39989849 GCAOGWHZAZRCSN-ZHZULCJRSA-N 479.631 3.206 10 10 JGCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@@H]3C=CC[C@@H]32)ccc1OC(C)=O 226692603 BIMZDKPLJPHIAK-RNHFSVANSA-N 484.574 3.468 10 10 JGCE COc1ccc(N2CCN(C(=O)C3CCN(c4nc(O)cc(-c5ccccc5)n4)CC3)CC2)cc1 1858551834 WDMTUZZIWPCUOH-UHFFFAOYSA-N 473.577 3.423 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)cc1 1861956108 BUGBOWJWWDDIJM-VMMLISQSSA-N 498.605 3.203 10 10 JGCE CCCC[C@@H](NC(=O)c1ccc2oc(O)nc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868970166 VXUWVPLZLZYOSX-HXUWFJFHSA-N 466.538 3.179 10 10 JGCE C[C@H](c1ccccc1)N1C(=O)C(=Cc2c(N3CCN(C)CC3)nc3ccccn3c2=O)SC1=S 2053512296 VQSOHBCOFWHKJD-QGZVFWFLSA-N 491.642 3.409 10 10 JGCE CN1C(=O)C(=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)c2ccccc21 2314764996 RBFRRWHVYFLRPI-UHFFFAOYSA-N 474.361 3.342 10 10 JGCE C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C(=Cc2c[nH]c3ccccc23)SC1=S 2314836182 BGGVABPQJWSUNZ-LBPRGKRZSA-N 486.600 3.044 10 10 JGCE COC(=O)c1c(C)sc(-c2c(-c3ccc(Cl)cc3)[nH]c3c2c(=O)n(C)c(=O)n3C)c1O 20897045 INIXTALZUDNJCY-UHFFFAOYSA-N 459.911 3.415 10 10 JGCE Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 20969083 PUDYQXUHXZUBNS-OUKQBFOZSA-N 478.597 3.280 10 10 JGCE O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 25580946 TTWRZZPAKUKQGA-WPBJZHHJSA-N 450.519 3.243 10 10 JGCE CC(=O)c1cc(F)cc(CN2CCCN(S(=O)(=O)c3cccc4cnccc34)CC2)c1O 1616442257 RYARPMYRMIIKJR-UHFFFAOYSA-N 457.527 3.179 10 10 JGCE COc1ccc(N2CCN(c3cc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)ncn3)CC2)cc1 1858251651 CNZYQWYVPLPZND-UHFFFAOYSA-N 493.011 3.428 10 10 JGCE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NC2CC2)[C@H]3c2ccc(O)c(O)c2)c1 1864011285 FQNXPRJRNOJOPU-QFIPXVFZSA-N 460.534 3.241 10 10 JGCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc(OC)cc1)=C(N)O2 1864012792 JGHZKVVCTBFBQX-LHSJRXKWSA-N 478.549 3.364 10 10 JGCE CCc1nn(C)c2c1[C@H](c1ccccc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865025093 RCBCSYRDCBMIAX-QFIPXVFZSA-N 473.577 3.035 10 10 JGCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC[C@H](C)C1)[C@@H]2c1ccc(O)c(O)c1 1865034269 SICOXKUNFWDTPJ-XHDPSFHLSA-N 466.460 3.286 10 10 JGCE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCc3ccccc3C1)[C@@H]2c1ccc(O)c(O)c1 1865034467 XBLUESHLLBATLW-QGZVFWFLSA-N 486.450 3.130 10 10 JGCE CN(C)c1ccc([C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(N4CCCC4)cc3)C2)c2nccn2C)cc1 1866279495 XGJMTZNPDVFYBF-LVXARBLLSA-N 486.620 3.345 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cc(-c4cccc(OC)c4)on3)C(C)C)CC2)cc1 1868960776 AAGQPZRVHPDQOF-VWLOTQADSA-N 492.576 3.462 10 10 JGCE CC[C@@](C)(NC(=O)C[C@@H]1CC(=O)c2ccccc21)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869035121 AOAPSDLLXKSRAD-UZTOHYMASA-N 463.578 3.389 10 10 JGCE CC(C)CCN1C(=O)C(=Cc2c(N3CCSCC3)nc3ccccn3c2=O)SC1=S 2040499051 SORBOKBNPJQWLB-UHFFFAOYSA-N 460.650 3.495 10 10 JGCE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc(Cl)c1O 2294095270 MPQAXTDVXZRLCA-UHFFFAOYSA-N 451.660 3.483 10 10 JGCE COc1ccc(N2CCN(C(=O)C3CCN(CC(=O)Nc4cc(C)cc(C)c4)CC3)CC2)cc1 9067190 LPWBGNJYMTWLAM-UHFFFAOYSA-N 464.610 3.311 10 10 JGCE CCOc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)NCCCCCC(=O)O)C2=O)ccc1O 15048039 VZUBKQIBRKMDLZ-KAECEXQPSA-N 466.581 3.142 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)N[C@@H](C)c3cccc(N4CCCC4=O)c3)CC2)cc1 726243437 HPONQXLHGDMBMK-FQEVSTJZSA-N 465.598 3.004 10 10 JGCE COc1cc(/C=C2/SC(=S)N([C@@H](CCC(N)=O)C(=O)O)C2=O)ccc1OCc1ccccc1 1858592662 UAWTVQJIBWRLST-QUYZQLMHSA-N 486.571 3.194 10 10 JGCE CN1CCN(c2ccc(NC(=O)CNCc3cc(Cl)cc(Br)c3O)cc2)CC1 1860721125 HWSSOXZCZUVOLL-UHFFFAOYSA-N 467.795 3.288 10 10 JGCE CCCc1ccc(OCC(=O)N2CSC[C@@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862197791 ZVLPWOZJTYSYEU-XMMPIXPASA-N 483.634 3.277 10 10 JGCE CCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1865027427 YDBRWSMUZBQNTC-OAQYLSRUSA-N 466.513 3.353 10 10 JGCE C[C@@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@@H]1NC(=O)C(F)(F)F 2106839234 QLLQGCOPYMPOBT-DYVFJYSZSA-N 456.509 3.455 10 10 JGCE C[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2136240280 KHKRXNJOVVFERK-PXNSSMCTSA-N 457.571 3.170 10 10 JGCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCCOc4ccccc4C)cc3)C(=O)N=C2S1 2297346366 ZGSAXOIGHBDEFU-UHFFFAOYSA-N 498.586 3.464 10 10 JGCE C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S 2314837075 NVIACMDINILCIZ-NSHDSACASA-N 482.008 3.216 10 10 JGCE COc1cc(/C=C2/SC(=S)N(CC(=O)OC3CCCCC3)C2=O)cc([N+](=O)[O-])c1O 206445245 NCDGQLNEDQNVIY-OQLLNIDSSA-N 452.510 3.386 10 10 JGCE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864018808 RFDWCDYYLHKDKI-FQEVSTJZSA-N 463.538 3.098 10 10 JGCE COc1ccc([C@@H](C(=O)N[C@@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)C(C)C)cc1 1868849178 UNLQKDAVVYBBSG-CYFREDJKSA-N 453.583 3.297 10 10 JGCE O=C(CC[C@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017517 QZQYJQXXTSWUAF-OAQYLSRUSA-N 485.471 3.440 10 10 JGCE O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 2269592034 JDZDGLWGASRWIT-QFIPXVFZSA-N 490.512 3.139 10 10 JGCE Cc1ccc(CN2C(=O)C(=Cc3c(N4CCOCC4)nc4ccccn4c3=O)SC2=S)cc1 2296704197 VADVGCSNGOMNEW-UHFFFAOYSA-N 478.599 3.241 10 10 JGCE O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1cc(Br)c(O)cc1O 2297453005 DENCRQBRQNSFLE-UHFFFAOYSA-N 498.152 3.454 10 10 JGCE COC(=O)c1ccc(N2N=C(C)/C(=C/c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)C2=O)cc1 13425307 BOVJZVAYHTYQTN-MOSHPQCFSA-N 465.487 3.187 10 10 JGCE COc1cccc([C@@H]2N[C@](CC3CCCCC3)(C(=O)O)[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]23)c1O 248261030 WCDORRJIXQVENC-USTRSKKPSA-N 458.555 3.239 10 10 JGCE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1 727742785 HRAGCZOFYFUQJU-UHFFFAOYSA-N 466.607 3.273 10 10 JGCE CCc1sc(NC(=O)C(=O)NCCC(=O)O)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763955 UFMPSZZKTHFBBY-UHFFFAOYSA-N 483.340 3.056 10 10 JGCE CCC[C@H](NC(=O)CCc1ccc(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861941227 NMGUYYSXRHJJMU-QHCPKHFHSA-N 483.609 3.279 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccn3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873164195 QFVYTJFCFDCGNZ-UHFFFAOYSA-N 466.545 3.325 10 10 JGCE CC(=O)Nc1ccc(N2C[C@@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2=O)cc1 1874179139 PGGWUAUPPUKATB-INIZCTEOSA-N 467.481 3.412 10 10 JGCE CC[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)n1c(O)nc2ccccc2c1=O 1874179184 SGYHMIRZBAQPMQ-FQEVSTJZSA-N 453.454 3.467 10 10 JGCE N=[S@](=O)(O)c1ccc(-c2ccc(C=C3SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)o2)cc1 2053467507 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3.423 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)C[C@H](O)c3cc(Cl)cc(Cl)c3)cc2)CC1 1616252534 SAZWXGNDGNLWCB-NRFANRHFSA-N 450.366 3.402 10 10 JGCE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864010626 PEDBXADDMVLDJT-OAQYLSRUSA-N 478.549 3.464 10 10 JGCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1865028550 WPKHWBLLENSQGW-QFIPXVFZSA-N 460.534 3.276 10 10 JGCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1C[C@H](C)C[C@@H](C)C1)[C@@H]2c1ccc(O)c(O)c1 1865035376 RWFABTUBAUERLB-STXHMFSFSA-N 454.571 3.466 10 10 JGCE CCc1sc(NC(=O)[C@H](N)CCCNC(=N)N)c(C(=O)OC)c1-c1ccc(Br)cc1 1866115434 HPZDYWUQPWEQRD-CYBMUJFWSA-N 496.431 3.056 10 10 JGCE CN1CCN(c2ccc3[nH]c(C(=O)Nc4cccc5c4C(=O)c4ccccc4C5=O)cc(=O)c3c2)CC1 1866524787 SZIBVXGSAMISJG-UHFFFAOYSA-N 492.535 3.308 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC=C(C)C)cn3CCN(C)C)CC2)cc1 1870614156 ZGQNGQHUUWIEIF-UHFFFAOYSA-N 454.615 3.086 10 10 JGCE COc1ccc(N2CCN(c3nc(Nc4cccc([N+](=O)[O-])c4)ncc3[N+](=O)[O-])CC2)cc1 1871303032 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3.483 10 10 JGCE Cc1cccc(C)c1OCCOc1ccc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1 2297345860 JEFNHZPQRJCPSK-UHFFFAOYSA-N 498.586 3.383 10 10 JGCE CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 2997246 NBGLQKDCNBLCJJ-DLBLZJNESA-N 491.613 3.181 10 10 JGCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC 13641000 METWDKNBUYDMBJ-DFIYOIEZSA-N 499.633 3.475 10 10 JGCE O=C(O)CCNC(=O)CCN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 15038365 LKXIZPOJBYDIPL-RGEXLXHISA-N 470.572 3.448 10 10 JGCE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(\C)NCc2ccc(S(N)(=O)=O)cc2)cc1 20288661 MAHBQKSTAXGQAA-XQNSMLJCSA-N 494.548 3.296 10 10 JGCE C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccco3)C2=O)C[C@@H](C)O1 33732217 NGBRNIWBBPBCIW-UQKABBFDSA-N 482.587 3.303 10 10 JGCE O=C1/C(=C\c2c(NCCO)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1Cl 33795847 YWINYSMGEPQLOM-LFIBNONCSA-N 472.979 3.154 10 10 JGCE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccoc3C)C2=O)ccc1OCCC(=O)O 210468522 OLRRGWSYVRUVPA-BOPFTXTBSA-N 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CC(C)(C)OC(=O)N1CCN(c2cc3c(cc2N)NC(=O)CC3)CCN1C(=O)OC(C)(C)C 2106804288 ZUBCZHALXULKAV-UHFFFAOYSA-N 461.563 3.363 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@H]1CCCN1Cc1ccccc1 2200959152 RVUBPHGBUXEXJC-RTWAWAEBSA-N 469.582 3.314 10 10 JGCE COc1cc(C=C2SC(=S)N(CCC(=O)Nc3ccccn3)C2=O)cc(OC)c1OC 2296881718 XMWLPIOEGQCDCV-UHFFFAOYSA-N 459.549 3.337 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccccc4F)cc3)C(=N)N21 2297345261 GSDIBEKHNMPZKY-UHFFFAOYSA-N 472.523 3.416 10 10 JGCE COc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3nnc(C)s3)C2=O)cc1OC 2297349589 AXKPTYHLGPHOPG-UHFFFAOYSA-N 464.594 3.484 10 10 JGCE N=C1C(=Cc2ccc(OCc3ccccc3)cc2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12 2297469346 OVUQIDAFGVOOGD-UHFFFAOYSA-N 489.557 3.134 10 10 JGCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc([N+](=O)[O-])cc2)N3)CC1 14550817 IPOPEDBCTCTDJW-VIZSFHNOSA-N 454.552 3.357 10 10 JGCE COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccc(C)cc1 96459803 FGDQARZDOSQZRU-ONVPTEKUSA-N 484.559 3.204 10 10 JGCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCN(C)C(C)C)CC1 1301712918 KPXBBWZOXBKWGA-UHFFFAOYSA-N 463.630 3.361 10 10 JGCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3ccccc3C)CC2)cc1 1865652987 ZGNRJWPSNNVMRB-QHCPKHFHSA-N 473.577 3.089 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)CCc3ccco3)CC2)cc1 1868588016 CILLOQUSRKSNRQ-RUZDIDTESA-N 461.562 3.297 10 10 JGCE COc1ccc(N2CCN(c3ncnc4c3ccc(=O)n4-c3cccc([N+](=O)[O-])c3)CC2)cc1 1873533783 ZKCSEZBZONJXCL-UHFFFAOYSA-N 458.478 3.024 10 10 JGCE CC[C@H](CN(C)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 2200968414 DSSOTBKUEXVRDQ-SJORKVTESA-N 481.590 3.295 10 10 JGCE Cc1ccc2nc(NCCO)c(C=C3SC(=S)N(Cc4ccccc4Cl)C3=O)c(=O)n2c1 2314413948 MAIOKQQVDAZQKX-UHFFFAOYSA-N 487.006 3.462 10 10 JGCE CCCCCCN1C(=O)C(=Cc2c(N3CCOCC3)nc3ccccn3c2=O)SC1=S 2314414988 SYVKOLMWXUJJPA-UHFFFAOYSA-N 458.609 3.313 10 10 JGCE COCCCN1C(=O)C(=Cc2cc3cccc(C)c3nc2N2CCC(C(N)=O)CC2)SC1=S 2314650469 IMMRQKJOHLYIHK-UHFFFAOYSA-N 484.647 3.483 10 10 JGCE CCOc1cc(C=C2SC(=S)N(CCCCCC(=O)NCCC(=O)O)C2=O)ccc1O 2314831134 DBOLWNMZDJTBRK-UHFFFAOYSA-N 466.581 3.143 10 10 JGCE Cc1cccc(C(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)c1[N+](=O)[O-] 10671147 JRBJRWKTXWICJW-LICLKQGHSA-N 471.516 3.263 10 10 JGCE Cc1ccc2nc(NC[C@@H]3CCCO3)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 33490746 QYAONWZAEFHSQP-MBBOSUJBSA-N 458.609 3.451 10 10 JGCE COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc(OC)c1OC 33570275 BXNZCJJHEYRUFA-MHWRWJLKSA-N 475.504 3.167 10 10 JGCE COCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCC[C@@H](C)C2)SC1=S 39989541 MOMOEVULDGQDQE-JVVDOCDTSA-N 460.625 3.039 10 10 JGCE CCC1=NN2C(=N)/C(=C/c3ccc(OCc4cc(=O)n5nc(CC)sc5n4)cc3)C(=O)N=C2S1 96484432 CIRIWXVXZRHDHP-POCCGPMPSA-N 493.574 3.322 10 10 JGCE COc1ccc(N2CCN(CCNCc3ccccc3I)CC2)cc1 742700449 IDIPPRNHRHOHEI-UHFFFAOYSA-N 451.352 3.212 10 10 JGCE COc1ccc(N2CCN(C(=O)CNC(=O)[C@@H]3CCCN(Cc4cccc(Cl)c4)C3)CC2)cc1 1861993615 UQXDRBJCJUYCDU-OAQYLSRUSA-N 485.028 3.026 10 10 JGCE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864012637 FQJJMVXTRQGDKC-QFIPXVFZSA-N 498.543 3.037 10 10 JGCE CC[C@@H](C)NC(=O)COc1cn(CC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870522301 YGTLXFCECJMMDN-OAQYLSRUSA-N 484.641 3.129 10 10 JGCE CS(=O)(=O)C1=NN2C(=N)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C(=O)N=C2S1 2297346024 XDUIXJVTNDKHDI-UHFFFAOYSA-N 463.544 3.311 10 10 JGCE Cc1cccc(N2C(=O)NC(=O)C(=Cc3c(C)nn(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3C)C2=O)c1 2313548207 ORKVXMOAXWPZFQ-UHFFFAOYSA-N 490.432 3.280 10 10 JGCE Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)C2=O)cc1 33301704 YOSWKRHSRALYPT-PDGQHHTCSA-N 451.460 3.409 10 10 JGCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864009559 AQAXYWZYSHMSJT-LJQANCHMSA-N 468.941 3.448 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3cc(-c4ccco4)on3)CC2)cc1 1868635846 KFIZEFCWDNHZOJ-IBGZPJMESA-N 484.578 3.144 10 10 JGCE O=C(N[C@H]1COCC[C@H]1NCc1cc(Br)cc(F)c1O)OCc1ccccc1 2031532239 JFZQZHFNXXMHLH-MSOLQXFVSA-N 453.308 3.467 10 10 JGCE COc1ccc([C@H](C2CC2)n2nc(C(F)(F)F)c(C(N)=O)c2I)c(O)c1 2079844424 MAAUQXBDLRBRSM-LBPRGKRZSA-N 481.212 3.319 10 10 JGCE CCOc1ccc(N2C(=O)C(=Cc3cc(Br)c(O)c(OC)c3)C(=O)NC2=S)cc1 2297560703 ZIPXLJPGNHOLEQ-UHFFFAOYSA-N 477.336 3.393 10 10 JGCE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(CC(=O)O)C2=O)c1C 2314507259 IQCYZTSQIQNKEK-UHFFFAOYSA-N 467.528 3.389 10 10 JGCE O=C(O)c1ccccc1C=C1SC(=S)N(NS(=O)(=O)c2ccc(Cl)cc2)C1=O 2314929988 VVALWTLKCUSKSO-UHFFFAOYSA-N 454.938 3.133 10 10 JGCE CC[C@H](Oc1cccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)c1)C(=O)O 2314930696 HXZHTSUYTCNHLE-INIZCTEOSA-N 478.573 3.023 10 10 JGCE CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)N=c3s/c(=C\c4ccc(OC)cc4)c(=O)n32)cc1 20608658 FOTWPPKKRIDJSP-FOOJEKODSA-N 491.613 3.263 10 10 JGCE CCC[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861957174 ANJUOXXYBOCWES-UNJYKCMZSA-N 466.538 3.250 10 10 JGCE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@H](C)C1)=C(N)O2 1865027394 XMVFZPWFESTFMR-DFFLPILJSA-N 475.549 3.186 10 10 JGCE CCCC[C@@H](NC(=O)c1cc(-c2cccnc2)on1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868983038 WLFBSYLLZLULQU-JOCHJYFZSA-N 477.565 3.383 10 10 JGCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NC[C@H]3CCCO3)n4CC(C)C)CC2)cc1 1873577169 UVTPUDCGBRYRJG-JOCHJYFZSA-N 492.624 3.331 10 10 JGCE COc1ccc([C@@H](C2CC2)n2nc(C(F)F)c(C(N)=O)c2I)c(O)c1 2079862452 OWGAKQMFRWCLOO-CYBMUJFWSA-N 463.222 3.238 10 10 JGCE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(O)c(O)cc2C1 2341193797 JBNYJDLNXVSADX-KSFYIVLOSA-N 456.539 3.481 10 10 JGCE O=C1/C(=C\c2c(N3CCSCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 2345900 YKVDGZLMWHCICL-FOWTUZBSSA-N 470.601 3.242 10 10 JGCE Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3cccc4nsnc34)c(NCc3ccccc3)cc21 20854501 RZGHCKIXWNPJGR-UHFFFAOYSA-N 480.575 3.295 10 10 JGCE COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)NC2=S)c(OC)c1 59595157 RZDUGFOEFXPUDQ-GZTJUZNOSA-N 478.482 3.493 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C(=N)N21 96460366 OFFJXUXAGBADMU-HSJXSQSUSA-N 459.528 3.245 10 10 JGCE COc1nccnc1NS(=O)(=O)c1ccc(N/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1 100507250 OJVLGZQLHYCVGD-RGEXLXHISA-N 464.507 3.005 10 10 JGCE CCOC(=O)c1c(NC(=O)C(=O)N=c2[nH]nc(COC)s2)sc(C)c1-c1ccc(F)cc1 1860764670 COMKYYNMGHTTBJ-UHFFFAOYSA-N 478.527 3.036 10 10 JGCE CCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864008313 IAVVIOHEMGEZJZ-LJQANCHMSA-N 454.914 3.466 10 10 JGCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1ccc(O)c(O)c1 1865033499 AUZUSSGDRQHZAV-CQSZACIVSA-N 454.449 3.193 10 10 JGCE CC[C@@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1F)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868822959 XUACOZHTSRXOFZ-RPBOFIJWSA-N 482.600 3.042 10 10 JGCE CC[C@H](NC(=O)c1nc(C(F)(F)F)n2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869068839 LAABOLVVEBDNID-SFHVURJKSA-N 489.498 3.219 10 10 JGCE CC(C)CNC(=O)Cn1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945307 PXCVUOOXAMLJGH-UHFFFAOYSA-N 459.593 3.480 10 10 JGCE CCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 33812551 LFUNXAFDUAGYDI-MOSHPQCFSA-N 487.695 3.438 10 10 JGCE CC(C)c1ccc(/C=C2/SC(=S)N(CCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 103040675 QWJWNRYWUGXSAX-BOFQVRIASA-N 466.650 3.047 10 10 JGCE CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 107018575 CMLDSMMWPTUKPS-QNGOZBTKSA-N 454.552 3.043 10 10 JGCE CCN1CC[C@H](CNC(=O)CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)C1 730937760 WYRJTHHAXUEUPH-BRYYZUPOSA-N 468.442 3.108 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)N3CCC[C@H]3Cc3cccc(OC)c3)CC2)cc1 742939212 BNFACMACZNWKBR-QHCPKHFHSA-N 452.599 3.243 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3nn(-c4ccccc4Cl)cc3C)cc2)CC1 1567592647 YHMPMWNRAKVVED-UHFFFAOYSA-N 451.958 3.433 10 10 JGCE CC(=O)N1CCCN(c2nnc(-c3cccc(C)n3)n2CCCSc2nccs2)CC1 1741035125 XTHBHASUDJTHRH-UHFFFAOYSA-N 457.629 3.346 10 10 JGCE CCOC(=O)c1c(NC(=O)C(=O)N2CCC[C@H]2C(=O)O)sc(C)c1-c1ccc(OCC)cc1 1860762384 FADQBYGQKLIVCQ-INIZCTEOSA-N 474.535 3.313 10 10 JGCE CC[C@H](NC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862069306 NCBHHNLLTRXUBT-DEOSSOPVSA-N 487.604 3.227 10 10 JGCE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864010578 OBDJCJXYPRKVGD-JOCHJYFZSA-N 492.576 3.472 10 10 JGCE Cc1ccccc1CCCC(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867121414 IXZRIJAVXFUTHG-QHCPKHFHSA-N 470.525 3.209 10 10 JGCE COc1ccc(N2CCN(C(=O)CN3C(=O)C(C)(C)c4cc(Br)ccc43)CC2)cc1 1871336450 OBCVLXWFENSRGZ-UHFFFAOYSA-N 472.383 3.431 10 10 JGCE CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2ccccc2)C1=O 1873167022 OXDBYTSPSARNJS-UHFFFAOYSA-N 470.573 3.142 10 10 JGCE C[C@@H]1CN(C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 2200965620 XKRFAQHCUFKRQJ-WBVHZDCISA-N 479.574 3.001 10 10 JGCE COCCN1C(=O)C(=Cc2c(NCc3ccc(OC)cc3)nc3c(C)cccn3c2=O)SC1=S 2296846673 PPYDJHCBTJSXAC-UHFFFAOYSA-N 496.614 3.471 10 10 JGCE Cc1ccccc1COc1ccc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1 2297345190 ASTDSSZWCOUONN-UHFFFAOYSA-N 454.533 3.195 10 10 JGCE O=C(O)CCCCCN1C(=O)/C(=C\c2c(N3CCCC3)nc3ccccn3c2=O)SC1=S 33451855 UOGUQJADLWKQTM-JQIJEIRASA-N 472.592 3.141 10 10 JGCE CCOC(=O)c1c(C)sc(-c2c(-c3ccc(C)cc3)[nH]c3c2c(=O)n(C)c(=O)n3C)c1O 46009347 OHGMTNHDGVWICB-UHFFFAOYSA-N 453.520 3.460 10 10 JGCE Cc1cc(C(=O)CN2CCN(C(=O)CCN3C(=O)c4ccccc4C3=O)CC2)c(C)n1-c1ccccc1 62694203 NSUHUNBVRPEUSD-UHFFFAOYSA-N 498.583 3.107 10 10 JGCE CCCNc1cc(N2CCC(CCC(=O)NCc3ccc(N4CCOCC4)cc3)CC2)ncn1 65274213 IVFMVRWXDNNBST-UHFFFAOYSA-N 466.630 3.448 10 10 JGCE NC(=O)C1CCN(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)CC1 102726456 LFJBUJBQZIMXAM-ICFOKQHNSA-N 455.646 3.481 10 10 JGCE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CC[C@H](CO)O1 1705590105 BRQGKJURQAKKHD-BJKOFHAPSA-N 457.578 3.355 10 10 JGCE CCOC(=O)c1c(NC(=O)C(=O)N[C@H](CC)C(=O)O)sc(C)c1-c1ccc(Cl)cc1 1860758808 PXBPSXYPMLSHGH-CYBMUJFWSA-N 452.916 3.472 10 10 JGCE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864018348 JAVJOZBDXVGUOZ-HSZRJFAPSA-N 497.555 3.294 10 10 JGCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2 1865030350 IEDQUHQSPAKOLN-MRUHUIDDSA-N 484.597 3.233 10 10 JGCE CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(C)(C)C(N)=O)c2C(=O)OC)cc1 1865787003 DNKNBGODRBISNX-UHFFFAOYSA-N 489.594 3.207 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCc4cccc(C)c4)[nH]c(=Nc4cccc(O)c4)[nH]3)CC2)cc1 1871717135 XQPWHVOFYOEYBU-UHFFFAOYSA-N 497.603 3.420 10 10 JGCE O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017788 WQEBOPKSWAFNFK-QFIPXVFZSA-N 479.492 3.052 10 10 JGCE COC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2cc(OC)c(O)c([N+](=O)[O-])c2)SC1=S 2314769794 VJDNRFDWSROANN-MRXNPFEDSA-N 460.489 3.425 10 10 JGCE COc1cc(C=C2SC(=S)N(CCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc(OC)c1O 2314827519 GVDKZWYFKVAQJW-UHFFFAOYSA-N 488.543 3.338 10 10 JGCE CN(C)c1ccc(CNC(=O)[C@H]2CCCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)C2)cc1 33259327 XRXAOFAWGBRBBU-QHCPKHFHSA-N 496.615 3.439 10 10 JGCE Nc1ccc(OCCNS(=O)(=O)c2cc(Br)sc2Br)cc1 63130569 GZTLTFMBADSXCL-UHFFFAOYSA-N 456.181 3.213 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)CC[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)CC1 1634074564 PZSZVDJELJGKOC-QFIPXVFZSA-N 458.603 3.151 10 10 JGCE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C)n3)n2Cc2ccc(N(C)C)cc2C)C1 1722750971 FSHHKECJJDBUAL-NRFANRHFSA-N 461.614 3.376 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)/C=C/c3ccc(C)cc3)CC2)cc1 1861943427 DWJJEKXDEAMXKQ-QMZDIEEXSA-N 451.592 3.267 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)Cc3ccc(Cl)cc3)CC2)cc1 1861959416 LNNUWZOQJGQNHT-JOCHJYFZSA-N 476.042 3.478 10 10 JGCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(CC)CC)=C(N)O2 1864013348 AAHCBKMGEXZRCG-NRFANRHFSA-N 485.629 3.200 10 10 JGCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCC(C)C)[C@H]2c1ccc(O)c(O)c1 1864023411 YSNYKGDZRQGHOT-AWEZNQCLSA-N 454.449 3.190 10 10 JGCE CCN(CC)CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN(C)C)C1=O 1873167740 VRSIXACHXWQXSQ-UHFFFAOYSA-N 465.642 3.057 10 10 JGCE CCOC(=O)c1ccc(-c2ccc(C=C3SC(=S)N(CCS(=O)(=O)O)C3=O)o2)cc1 2314432737 FCYZTTYRUPFHHZ-UHFFFAOYSA-N 467.546 3.212 10 10 JGCE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCC(=O)O)C1=O 2314507892 MAZPGYJEFZLVDU-UHFFFAOYSA-N 497.554 3.480 10 10 JGCE COCCN1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 33889904 PXAZYCDKDNZZPM-DYLQZCCESA-N 472.636 3.333 10 10 JGCE COCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCCc2ccccc2)SC1=S 40066547 JAZOJWLIJPISCS-ZHZULCJRSA-N 482.631 3.458 10 10 JGCE O=C(CN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1cc(C(=O)O)cc(C(=O)O)c1 210490539 YCDJHUKVTDIDFR-PJQLUOCWSA-N 460.464 3.062 10 10 JGCE COc1ccc(-n2c(C)cc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c3ccc(S(N)(=O)=O)cc3)c2C)cc1 857434521 GDRSXAUBVFSKQJ-FUHWJXTLSA-N 499.589 3.173 10 10 JGCE CCc1ccccc1OCC(=O)N[C@H](CCSC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862278596 XYNVIRSJFOVWQZ-HSZRJFAPSA-N 485.650 3.223 10 10 JGCE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCO)=C(N)O2 1865032646 HSABNTIJQSBTGC-FQEVSTJZSA-N 498.967 3.035 10 10 JGCE COc1ccc(N2CCN(C(=O)CCCCCN3C(=O)c4cccc(OC)c4C3=O)CC2)cc1 1865850958 XPKRNVDHVGABQN-UHFFFAOYSA-N 465.550 3.209 10 10 JGCE Cc1cc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n[nH]1 1866827916 OPMLMSWOZQRCHB-JOCHJYFZSA-N 494.507 3.179 10 10 JGCE CCOC(=O)Oc1ccc(C(=O)NCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867293140 SLWLJSSOJMCYEG-XMMPIXPASA-N 496.608 3.361 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)C(C)C)CC2)cc1 1868825433 QMTHMEHOROWKGH-TZRRMPRUSA-N 453.558 3.427 10 10 JGCE O=C(CNS(=O)(=O)c1ccc(Br)cc1)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 1891445029 PKISTJLLYUNRLP-LPHOPBHVSA-N 478.412 3.033 10 10 JGCE COc1cccc(OCCOc2ccc(C=C3C(=N)N4N=CSC4=NC3=O)cc2OC)c1 2293226930 XNOQEYAUWIGWLZ-UHFFFAOYSA-N 452.492 3.411 10 10 JGCE C[C@@H]1CCCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)C1 2296701660 WYWFLJVRAQFHEZ-CVEARBPZSA-N 470.620 3.311 10 10 JGCE COc1cc(N2CCOCC2)ccc1C=C1C(=O)NC(=S)N(c2ccc(Cl)c(C)c2)C1=O 2297559600 SJQMADRRDHYORY-UHFFFAOYSA-N 471.966 3.325 10 10 JGCE Cc1ccc(C=C2SC(=S)N(CC(=O)Nc3cc(C(=O)O)cc(C(=O)O)c3)C2=O)cc1 2314933921 FFJCVVWGAUKLDA-UHFFFAOYSA-N 456.501 3.231 10 10 JGCE O=C(O)Cc1csc(NC(=O)CN2C(=O)C(=Cc3ccccc3OC(F)F)SC2=S)n1 2314934090 GDWWRAIXJYZFAZ-UHFFFAOYSA-N 485.515 3.212 10 10 JGCE CCN(CC)C(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 5946928 WBEIAAQVRJJLHL-STZFKDTASA-N 458.518 3.172 10 10 JGCE O=C(CN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)Nc1cc(C(=O)O)cc(C(=O)O)c1 16922140 KHTUGXFSWRPSFD-WCSRMQSCSA-N 460.464 3.062 10 10 JGCE CCOC(=O)COc1ccc(/C=C2/C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC 33406159 SFYMZUJKOHDSMX-ZSOIEALJSA-N 465.289 3.405 10 10 JGCE Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c(/C=C3/SC(=S)N(C)C3=O)c(=O)n2c1 33889292 UBGGIEXWMWIGKX-XMHGGMMESA-N 477.615 3.161 10 10 JGCE CCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O 39989714 DRGKTTKGCYRPHK-DZBQEORWSA-N 488.635 3.351 10 10 JGCE Cc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c(C)n1-c1ccccc1 72028460 XZXCZDDPWWYAKI-UHFFFAOYSA-N 452.580 3.283 10 10 JGCE COC(=O)c1ccc(CN(c2cccc3c2C(=O)c2ccccc2C3=O)S(=O)(=O)N(C)C)cc1 586233250 FRJDMDVPODBENJ-UHFFFAOYSA-N 478.526 3.062 10 10 JGCE CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC(NC(=O)CC3CCCC3)CC2)c1 731352498 MAZZUDZKBRHTIZ-UHFFFAOYSA-N 457.615 3.088 10 10 JGCE COc1ccc(N2CCN(C(=O)CNC(=O)COc3ccc(C)cc3C(C)(C)C)CC2)cc1 1862172112 NXGFGLATWKXKFO-UHFFFAOYSA-N 453.583 3.145 10 10 JGCE CCn1nc(C)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccc(OC)cc1)[C@@H]2c1ccc(O)c(O)c1 1864010994 XVTZCYYZHZQSGC-LRTDBIEQSA-N 464.522 3.203 10 10 JGCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOCC)=C(N)O2 1864013556 CIYTXLKBJDHQLK-FQEVSTJZSA-N 472.586 3.140 10 10 JGCE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864017074 DVNHWNLPMMQLMS-NRFANRHFSA-N 478.549 3.321 10 10 JGCE COc1ccc(N2CCN(c3cc(N4CC(O)C4)nc(-c4ccccc4Cl)n3)CC2)cc1 1867976947 FIPFQMBQMDJWGC-UHFFFAOYSA-N 451.958 3.313 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCCC3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873165350 JINCUPZQWYSRBO-UHFFFAOYSA-N 476.621 3.429 10 10 JGCE CCCCN1C(=O)C(=C2SC(=S)N(NC(=O)c3ccccc3O)C2=O)c2ccccc21 2296701587 HNBJEIGFAYWREY-UHFFFAOYSA-N 453.545 3.455 10 10 JGCE O=C1NN(c2ccc(Br)cc2)C(=O)C1=Cc1cc2c(cc1Br)OCO2 2297319451 CKANWESAFBMMEM-UHFFFAOYSA-N 466.085 3.402 10 10 JGCE Cc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 2297346372 ZYDKKBWBXFPGNP-UHFFFAOYSA-N 461.956 3.369 10 10 JGCE CCOc1cc(C=C2SC(=S)N(CCCN3CCOCC3)C2=O)ccc1O[C@H](CC)C(=O)O 2314936523 ZCDCXLWYOFNTKQ-QGZVFWFLSA-N 494.635 3.251 10 10 JGCE CCC(=CC(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(OC)cc1 2329565017 MEXDGUGIXSLLSO-XMMPIXPASA-N 498.535 3.380 10 10 JGCE CCS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)n1 39909425 RRLKEMVLSQVQJR-UHFFFAOYSA-N 462.959 3.425 10 10 JGCE CC(=O)NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(C)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526140470 SKIIRBPRACJXRR-HSZRJFAPSA-N 494.525 3.288 10 10 JGCE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3Cc4cccc(O)c4C3)cc2)cc1 1650672628 MRGSPDUFTVNQHD-UHFFFAOYSA-N 450.516 3.229 10 10 JGCE C[C@H](NC(=O)CCc1nc(O)c2ccccc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867261302 HFBALLZTCRWJKB-HNNXBMFYSA-N 494.507 3.187 10 10 JGCE COc1ccc(N2CCN(C(=O)c3ccc(CNS(=O)(=O)c4cccc(C)c4)cc3)CC2)cc1 1891951978 YKJSVAITPMRZJG-UHFFFAOYSA-N 479.602 3.445 10 10 JGCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C(C)C)C3=O)c(N3C[C@H](C)O[C@H](C)C3)nc12 2296705179 ZMOMTJLGTKTMSG-GASCZTMLSA-N 458.609 3.226 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 20604441 WSEZRQKRNSBZRJ-UHFFFAOYSA-N 479.602 3.244 10 10 JGCE COC(=O)c1ccc(C(=O)NC[C@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1 38598156 RFUGNGJIDZUESA-HSZRJFAPSA-N 463.534 3.368 10 10 JGCE CC1=CC(NC(=O)c2ccc(F)cc2Cl)=S=C1C(=O)Nc1nc(-c2ccncc2)n[nH]1 521694305 DDJKGRGNSJIMHV-UHFFFAOYSA-N 456.890 3.023 10 10 JGCE C[C@H](C(=O)c1ccccc1)N1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860827040 OZQGTGYRQFTHRU-MYXCPXAOSA-N 466.540 3.351 10 10 JGCE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2 1864008214 FZJWSHWATWGDPT-NRFANRHFSA-N 497.983 3.008 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN3CCOCC3)C(=O)N(CC(C)C)C2=O)cc1 1873169201 DWTHCJXHWKEXFO-UHFFFAOYSA-N 464.610 3.142 10 10 JGCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3ccc(O)cc3)cc1C2=O 1873860675 QGHGKRWMEPXLMP-UHFFFAOYSA-N 459.410 3.271 10 10 JGCE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200971963 PDQIKDRNDLKEQE-UAGQMJEPSA-N 479.574 3.048 10 10 JGCE COc1cc([N+](=O)[O-])cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c1O 2293276315 BCMXKLDKLMVJPO-UHFFFAOYSA-N 468.274 3.447 10 10 JGCE COc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)Nc3ccc(O)cc3)C2=O)cc(OC)c1O 15046933 GLZXCZGMYTYTDJ-MTUBTWAWSA-N 460.533 3.343 10 10 JGCE O=C(Cn1cc(/C=C2/C(=O)N(Cc3ccco3)C(=S)N=C2O)c2ccccc21)NC[C@H]1CCCO1 33458243 WDBFKIHNOOGUQN-MLHZQLSASA-N 492.557 3.197 10 10 JGCE CCn1c(N2CCOCC2)c(/C=C2/SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O 33474207 VNHLWOSNKUBYAF-LDADJPATSA-N 458.609 3.029 10 10 JGCE O=C1/C(=C\c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 34988131 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3.023 10 10 JGCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(=O)O)C3=O)c(Sc3ccccc3)nc12 2296725431 LIPOALIJTABLKQ-UHFFFAOYSA-N 469.569 3.440 10 10 JGCE COc1cc(C=C2C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)ccc1OCc1ccc(C)cc1 2297352595 DZNHAOWTVURXHL-UHFFFAOYSA-N 491.573 3.491 10 10 JGCE Cc1cc(C)cc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)c1 2326941534 HLAZGQYDGYPLPS-UHFFFAOYSA-N 495.582 3.335 10 10 JGCE O=C1NC(=S)S[C@@H]1CNc1ccc(Cc2ccc(NC[C@H]3SC(=S)NC3=O)cc2)cc1 3065480 WVEYEVAOIQTVNL-IAGOWNOFSA-N 488.685 3.134 10 10 JGCE COc1ccccc1C(=O)NN1C(=O)/C(=C\c2cccc(OCCC(=O)O)c2)SC1=S 16908190 FTWUWQXHGYHYJS-SFQUDFHCSA-N 458.517 3.095 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cncc(NS(=O)(=O)c4ccc(C)cc4)c3)CC2)cc1 20846847 RWGVUBOHUKTDDW-UHFFFAOYSA-N 466.563 3.162 10 10 JGCE CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1c(O)[nH]c(=O)n(-c2cccc(Cl)c2)c1=O 103790700 NLVGILDULOZOFC-MHWRWJLKSA-N 457.273 3.344 10 10 JGCE O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1cccc(S(=O)(=O)N2CCCC2)c1 108898390 PIJAHVCSEHAAOU-UHFFFAOYSA-N 468.623 3.255 10 10 JGCE COc1ccc(N2CCN(C(=O)CCN=c3nc(O)c(-c4cccc(Cl)c4)c(C)[nH]3)CC2)cc1 1858543455 ZACDIGQMORIDPW-UHFFFAOYSA-N 481.984 3.392 10 10 JGCE O=C1c2ccccc2C(=O)c2cc(NC(=S)NS(=O)(=O)c3ccccc3[N+](=O)[O-])ccc21 1858611996 PHEWULPVEOBIKL-UHFFFAOYSA-N 467.484 3.046 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)COc3ccc(Cl)cc3)CC2)cc1 1862242429 USTGPENAVBUBEW-QFIPXVFZSA-N 457.958 3.067 10 10 JGCE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC)=C(N)O2 1864009615 CGAGTELZGFIARR-HXUWFJFHSA-N 464.522 3.075 10 10 JGCE CC[C@H](C)[C@@H](C(=O)N[C@H](c1ccc(N(C)C)cc1)c1nccn1C)N1C(=O)c2ccccc2C1=O 1865979058 XNRNYHLUJJRVHC-IMRHEYAYSA-N 473.577 3.403 10 10 JGCE CCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S 2040470416 ZPBNTSSXNLZPBN-UHFFFAOYSA-N 495.605 3.381 10 10 JGCE COc1ccccc1NC(=O)CN1C(=O)NC(=Cc2ccc(N3CCCCC3)cc2F)C1=O 2293937586 AUKCHRHBVMSUBB-UHFFFAOYSA-N 452.486 3.356 10 10 JGCE CCOc1ccc(N2C(=O)C(=Cc3cn(CC(=O)OC)c4ccccc34)C(=O)NC2=S)cc1 2294204954 XJVHKYOBSACAMW-UHFFFAOYSA-N 463.515 3.044 10 10 JGCE O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)C1=Cc1cc(Br)c(O)cc1O 2297322299 LABRUYGFPZSPQZ-UHFFFAOYSA-N 453.701 3.345 10 10 JGCE C[C@H](Oc1cccc(C=C2SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)c1)C(=O)O 2314926484 KGZOTKMNDLLBGM-JTQLQIEISA-N 473.484 3.341 10 10 JGCE COC(=O)c1ccccc1NC(=O)CSc1nccnc1N1CCN(c2ccc(OC)cc2)CC1 33292935 NJTZNPBQKLHEEG-UHFFFAOYSA-N 493.589 3.329 10 10 JGCE COCCNC(=O)Cn1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N=C2O)c2ccccc21 33932872 GUIKTKUFLWJGGV-UYRXBGFRSA-N 462.531 3.076 10 10 JGCE CCCn1c(N2CCCC2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 39990001 VXOJQXTZYTWIGJ-BKAYVGFPSA-N 472.636 3.419 10 10 JGCE CCOC(=O)c1c(C)sc(-c2c(-c3ccc(OC)cc3)[nH]c3c2c(=O)n(C)c(=O)n3C)c1O 46009318 OLJCOMMFFYEHFN-UHFFFAOYSA-N 469.519 3.160 10 10 JGCE CC(C)(C)C1(C)OC(=O)C(=Cc2cc(I)c(O)c([N+](=O)[O-])c2)C(=O)O1 59643836 OZCCJWPJKSUTHJ-UHFFFAOYSA-N 461.208 3.151 10 10 JGCE CCCC1=NN2C(=N)/C(=C/c3ccc(OCc4cc(=O)n5nc(C)sc5n4)cc3)C(=O)N=C2S1 96484436 WPGXTRDUTNTJRW-NJOZZACWSA-N 493.574 3.458 10 10 JGCE C[C@@H]1CCCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)C1 238950195 WYWFLJVRAQFHEZ-HZPDHXFCSA-N 470.620 3.311 10 10 JGCE O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 731400578 FVVQWTUPDBMKFK-HXUWFJFHSA-N 491.585 3.061 10 10 JGCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOC(C)C)CC1 1596166556 VVSZVYBKAKMJJA-UHFFFAOYSA-N 450.587 3.446 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)COc3ccc(OC)cc3C(C)(C)C)CC2)cc1 1862173419 FEPSGDQPTMYVJH-LJQANCHMSA-N 483.609 3.234 10 10 JGCE CC[C@@H](NC(=O)CCCOc1ccccc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862229825 HIMQACYIQIGJIA-HSZRJFAPSA-N 453.583 3.406 10 10 JGCE CN(C)c1ccc([C@@H](CNC(=O)[C@H](CO)NC(=O)c2cccc3ccccc23)N2CCCCC2)cc1 1867672451 WJRFKHOXKCWDQA-RRPNLBNLSA-N 488.632 3.340 10 10 JGCE CCCCCCN1C(=O)C(NCCNC(C)=O)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167028 PBHFREAHTOVMTD-UHFFFAOYSA-N 450.583 3.480 10 10 JGCE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 2294095707 ZPJVCGCFJQVACQ-UHFFFAOYSA-N 474.429 3.397 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4ccc(C)cc4)cc3)C(=N)N21 2297345225 DNOYJAOPEXQHOQ-UHFFFAOYSA-N 498.586 3.464 10 10 JGCE CC[C@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccccc2[N+](=O)[O-])C1=O)C(=O)O 2314932961 QQWHXMOHVNDKHB-HNNXBMFYSA-N 487.515 3.383 10 10 JGCE CC(=O)N[C@@H](CC(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 9385316 LUMGPWQGAQNBBY-QFIPXVFZSA-N 470.481 3.211 10 10 JGCE COc1cc(/C=C2\C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)ccc1OCc1ccccc1C 20356642 UKQKFYSJKQWDPC-ADKREUBMSA-N 491.573 3.491 10 10 JGCE Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCSC3)C2=O)c(C)n1-c1cccc(Br)c1 23635733 KYFYGKABLIZESV-HXUWFJFHSA-N 462.369 3.467 10 10 JGCE C[C@@H]1CCC[C@@H](NC(=O)Cn2c(=O)/c(=C\c3ccc(N(C)C)cc3)s/c2=C/C(=O)C(C)(C)C)[C@@H]1C 229886906 XTUCJUIMBLKLHX-LSFWOAFVSA-N 497.705 3.141 10 10 JGCE COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccccc3N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 726727127 FASKRXCSYYOXFS-OALUTQOASA-N 466.582 3.033 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3cccc(F)c3)CC2)cc1 1862068931 ZKKPYOJMSSHPBO-RUZDIDTESA-N 477.536 3.230 10 10 JGCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865030065 BQFOEPSFQBWKAZ-OAQYLSRUSA-N 476.533 3.387 10 10 JGCE CCOC(=O)c1c(NC(=O)[C@@H]2C[C@@H](O)CN2)sc(C)c1-c1ccc(Br)cc1 1866042127 PXEKLOFBKCTPTC-KGLIPLIRSA-N 453.358 3.324 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(CCOC(C)C)C2=O)cc1 1873168659 DWXUDRDJMBXXLK-UHFFFAOYSA-N 461.566 3.154 10 10 JGCE CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCCOc4ccccc4)cc3)C(=N)N21 2297345361 POKSIKODBUKODV-UHFFFAOYSA-N 484.559 3.156 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cn4c5c(ccc(Cl)c5c3=O)O[C@H](C)C4)CC2)cc1 20532012 LHYRTWXXFRZWST-OAHLLOKOSA-N 453.926 3.407 10 10 JGCE CCn1c(N2CCOCC2)c(/C=C2/SC(=S)N(CCC(C)C)C2=O)c(C)c(C#N)c1=O 33474074 LAWDODZAGCWICQ-LDADJPATSA-N 460.625 3.132 10 10 JGCE C=CCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2C[C@H](C)O[C@H](C)C2)SC1=S 33474920 SGENXEWAOIJOIM-BGETUVHESA-N 458.609 3.049 10 10 JGCE CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3sc(=Cc4ccc(OC)cc4)c(=O)n32)cc1 254740662 FOTWPPKKRIDJSP-XMMPIXPASA-N 491.613 3.263 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)C3CCN(c4nc5ccccc5s4)CC3)CC2)cc1 727375766 MPNDNSTVKJWTDM-UHFFFAOYSA-N 479.650 3.460 10 10 JGCE CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(I)c3)C2=O)cc1 1083906246 PXGNECYLGMEZIR-WJDWOHSUSA-N 462.243 3.356 10 10 JGCE CC(=O)c1ccc(N2CCN(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)CC2)c(F)c1 1479534265 LEIOPIYUPCVTJA-XMMPIXPASA-N 455.578 3.229 10 10 JGCE CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)C)n3Cc3ccc(N(C)C)c(F)c3)C[C@H]2C)CC1 1596144543 QIFWNNRAJOTNHM-NLFFAJNJSA-N 499.679 3.109 10 10 JGCE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(N(CC)CC)cc2)CC1 1705648326 RAUBCNYVDUCXTA-XMMPIXPASA-N 478.641 3.380 10 10 JGCE CCOC(=O)c1c(NC(=O)c2nnnn2C)sc(C)c1-c1ccc(Br)cc1 1860768453 MMGWTTJWPUYNQP-UHFFFAOYSA-N 450.318 3.439 10 10 JGCE CC[C@H](C)[C@@H](C(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C)N1C(=O)c2ccccc2C1=O 1865979061 XNRNYHLUJJRVHC-RTFZILSDSA-N 473.577 3.403 10 10 JGCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCO[C@H](c3ccncc3)C2)n1 1869133141 UQPVYXUAKFMPTQ-QHCPKHFHSA-N 460.582 3.347 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873167568 MPZVJJRZYDAQBF-QHCPKHFHSA-N 464.610 3.284 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)[C@H]1CCNCCN1C(=O)OC(C)(C)C 1952478821 HOUWMVSSQDBHSK-DLBZAZTESA-N 451.564 3.133 10 10 JGCE C[C@H](CCNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)N(C)C(=O)OC(C)(C)C 2200973414 VMVKKOURYYLIJI-WBVHZDCISA-N 481.590 3.295 10 10 JGCE O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccncc2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 33808711 OLUSXCNISHXOPA-LSCADSNKSA-N 482.612 3.323 10 10 JGCE CCn1c(N2CCC[C@@H](C)C2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 39989697 XBSVAZLIQHGIMW-JVVDOCDTSA-N 460.625 3.132 10 10 JGCE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@H](C(=O)NCCc4ccccn4)[C@H]3C2)cc1 245279120 DGAYLVOMRTUMPR-AHKZPQOWSA-N 472.589 3.325 10 10 JGCE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccc(NC(=O)N2CCNCC2)c1 586675007 HRLJALPDJDVCOH-UHFFFAOYSA-N 454.486 3.151 10 10 JGCE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1508184456 XDULHISLTVDYAM-UHFFFAOYSA-N 465.577 3.349 10 10 JGCE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865027403 XOTZRJHYDOTVRO-QFIPXVFZSA-N 478.524 3.497 10 10 JGCE CCN(CC)CCCCNC(=O)c1cc(OC(C)=O)c2c(c1)C(=O)c1cccc(OC(C)=O)c1C2=O 1873910883 VDTGSAOLVKXNEM-UHFFFAOYSA-N 494.544 3.164 10 10 JGCE COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(CC=Cc1ccc(N(C)C)cc1)CC2 2297449356 WFCDXTRVVRREEB-UHFFFAOYSA-N 491.636 3.496 10 10 JGCE COc1cccc(/C=C2/SC(=S)N(CCNC(=O)c3cccc(NC(C)=O)c3)C2=O)c1 62060563 NDFDWOJFMOUXTA-XDHOZWIPSA-N 455.561 3.285 10 10 JGCE CCCCCN1C(=O)/C(=C\c2c(N3CCN(CC)CC3)nc3ccccn3c2=O)SC1=S 102824365 NDCLEHIJMRNJCP-FBMGVBCBSA-N 471.652 3.228 10 10 JGCE CCN(CC)c1ccc(CN(C[C@@H](O)COc2ccc(C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 256038733 ROGRYDYMHZQTOL-BJKOFHAPSA-N 460.640 3.270 10 10 JGCE CC(=O)N1CC[C@@H](CN(C)c2nnc([C@@H]3CCCCO3)n2Cc2ccc(N(C)C)c(F)c2)C1 1690791101 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Cc1cccc(COc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)c1 2297345334 NTSJFEAOXNGMIG-UHFFFAOYSA-N 454.533 3.195 10 10 JGCE CCOc1cc(C=C2SC(NC(C)=O)=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 2297551031 YFMXHWMMJHHOPJ-UHFFFAOYSA-N 460.533 3.268 10 10 JGCE O=C(CN1C(=O)C(=C2SC(=S)NC2=O)c2cc(Br)ccc21)Nc1ccc(F)cc1 2314952234 XOWPVCTZUTUSAS-UHFFFAOYSA-N 492.351 3.433 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)C=Cc3cccc([N+](=O)[O-])c3)CC2)cc1 2328598770 BUGBOWJWWDDIJM-HSZRJFAPSA-N 498.605 3.203 10 10 JGCE COc1ccc(/C=C2/C(=O)N(C3CC3)C(=S)N=C2O)cc1CN1C(=O)c2ccccc2C1=O 2254095 JLHVYIDEZZLOIB-WOJGMQOQSA-N 461.499 3.121 10 10 JGCE CN1C(=O)/C(=C\c2cn(CC(=O)N3CCCC3)c3ccc(Br)cc23)C(O)=NC1=S 33309129 WMOHGPAQKLECMT-NVNXTCNLSA-N 475.368 3.123 10 10 JGCE CCCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCC(=O)O)C1=O 33481349 GLCQMRYLFNIWLI-NTCAYCPXSA-N 460.581 3.281 10 10 JGCE CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC[C@H](C(=O)NCc3ccc(N(C)C)cc3)C2)c1C 46046487 XNXLJIUHXMJJQJ-NRFANRHFSA-N 482.625 3.362 10 10 JGCE CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3CCCSc3nccs3)C[C@H]2C)CC1 1722777428 OKEMMWCIRISPOX-UYAOXDASSA-N 491.731 3.419 10 10 JGCE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864018000 AJCNROHIHYSWKI-IBGZPJMESA-N 452.486 3.027 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cc(C)ccc2C)[C@H]1c1ccc(O)c(O)c1 1864018909 DBDBIGMPLSEOFA-OAQYLSRUSA-N 462.550 3.353 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cc(-c4ccccc4)on3)C(C)C)CC2)cc1 1868756917 ZYXRWSONWVVMNZ-XMMPIXPASA-N 462.550 3.453 10 10 JGCE COCCCN1C(=O)C(=Cc2c(NCc3ccco3)nc3ccccn3c2=O)SC1=S 2053510717 OXJWMXJURLALML-UHFFFAOYSA-N 456.549 3.137 10 10 JGCE CC[C@H](Oc1ccc(C=C2SC(=S)N(NC(=O)Cc3ccccc3)C2=O)cc1OC)C(=O)O 2314933335 VGYIWAXRCVZYLK-INIZCTEOSA-N 486.571 3.412 10 10 JGCE CCOc1ccc(S(=O)(=O)N2CCN(C3=NC(=O)C(=Cc4ccccc4F)S3)CC2)cc1 2328652937 KIZBPAVHDWTWNC-UHFFFAOYSA-N 475.567 3.201 10 10 JGCE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCc3cc(O)c(O)cc3C2)CCN(Cc2ccccc2)C1 2366905539 CWSXRPIIFFNVKL-AREMUKBSSA-N 467.566 3.152 10 10 JGCE Cc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1 96460124 HBWXKESFHQDEGY-QICLDNETSA-N 461.956 3.369 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cnn(-c4ccccc4Cl)c3C)cc2)CC1 1632946616 ZWNPHJVDYBDVIG-UHFFFAOYSA-N 451.958 3.433 10 10 JGCE COc1ccc(-c2nc(NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)sc2CCC(=O)O)cc1 1858034909 JAMWYQUBMGKGIN-UHFFFAOYSA-N 489.531 3.082 10 10 JGCE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865029373 LTKXBBANQCJEAY-HXUWFJFHSA-N 498.967 3.035 10 10 JGCE COc1cccc(-c2ccc(=O)n(CC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n2)c1 1874179367 ANOBXNYTYJPOQV-UHFFFAOYSA-N 465.465 3.333 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 1892114795 KSQFEGHFGGGMOB-NRFANRHFSA-N 497.539 3.216 10 10 JGCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCc4ccccc4)cc3)C(=O)N=C2S1 2297346089 CHQLGIUGBNGVHP-UHFFFAOYSA-N 454.533 3.277 10 10 JGCE CCOc1cc(C=C2SC(=S)N([C@@H](C)C(=O)NCCCCCC(=O)O)C2=O)ccc1O 2314837726 VZUBKQIBRKMDLZ-ZDUSSCGKSA-N 466.581 3.142 10 10 JGCE COCCCN1C(=O)/C(=C\c2c(N3CCCCC3)nc3ccc(C)cn3c2=O)SC1=S 2306892 YOCZZTVATYSPCQ-GHRIWEEISA-N 458.609 3.231 10 10 JGCE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccc(F)c(F)c3)c3ccco3)CC2)cc1 49486574 OAZHSYLASNWNPY-JOCHJYFZSA-N 477.533 3.408 10 10 JGCE CCOc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)N(CC)CC 206828831 LIJQYRLRYIDHIB-ATVHPVEESA-N 466.581 3.008 10 10 JGCE CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@H]1c1ccc(O)c(O)c1 1864015525 BFWKBORLIFOPNC-OAQYLSRUSA-N 491.592 3.041 10 10 JGCE CC(C)CNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1864023214 VYJUKAWNTNSAMZ-HNNXBMFYSA-N 468.476 3.436 10 10 JGCE CC(C)CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)N=C2S1 20208627 AMSNGDZAWSKIFQ-WKWHHHHXSA-N 486.531 3.292 10 10 JGCE Cc1nn2c(=O)cc(COc3ccc(/C=C4\C(=N)N5N=C(C(C)C)SC5=NC4=O)cc3)nc2s1 20332100 UTFUOGJXLAUHQC-BFAZLYSXSA-N 493.574 3.314 10 10 JGCE Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 24023194 DITXOPRJJJVUOJ-CMDGGOBGSA-N 479.025 3.292 10 10 JGCE CCCn1c(N2CCCC2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 39989994 VDLKVWUZVWTHBN-AQTBWJFISA-N 460.625 3.276 10 10 JGCE COc1ccc(OC)c(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccccc4)c3C)CC2)c1 62694368 FALCGNQRMWAUOV-UHFFFAOYSA-N 497.617 3.301 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)COc3cc(Cl)ccc3Cl)CC2)cc1 1862196084 KEMZALCPNPRXTH-HNNXBMFYSA-N 466.365 3.234 10 10 JGCE CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864008285 HLVIQGDCDOEFMQ-OAQYLSRUSA-N 498.967 3.483 10 10 JGCE CCn1cc(OCC(=O)NCCOC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870962275 PLXHJZFUDLIZPC-UHFFFAOYSA-N 450.539 3.365 10 10 JGCE COc1ccc(C=C2SC(=S)N(CCCCCC(=O)N[C@H](C)C(=O)O)C2=O)cc1OC 2314837056 NSFXBGWCWCXZAT-CYBMUJFWSA-N 466.581 3.055 10 10 JGCE CCOc1cc(/C=C2/SC(=S)N(NC(=O)Cc3ccccc3)C2=O)ccc1OCCC(=O)O 16920000 QGALGZIKWMYRQI-CPNJWEJPSA-N 486.571 3.414 10 10 JGCE O=C(COc1ccc(Br)cc1/C=C1\SC(=S)NC1=O)Nc1nccs1 39793877 QDVZLNSNPKLNDV-WDZFZDKYSA-N 456.368 3.412 10 10 JGCE CCOc1ccc(S(=O)(=O)NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1858608419 GCNLFZVHAMPNAB-UHFFFAOYSA-N 450.472 3.371 10 10 JGCE COc1ccc(N2CCN(c3cc(N4[C@@H](C)COC[C@H]4C)nc(-c4cccnc4)n3)CC2)cc1 1869371791 KIYQDPNMUONLQY-BGYRXZFFSA-N 460.582 3.487 10 10 JGCE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NC[C@@H]3CCCO3)ncnc21 1875204055 XFZQMOZJDNCUNB-NRFANRHFSA-N 478.597 3.403 10 10 JGCE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)CCOc2ccc(N)cc2)C1 2106693719 RAVLPZMVAKAWEO-UHFFFAOYSA-N 455.555 3.048 10 10 JGCE Cc1ccc(Cn2c(=O)/c(=C/c3ccc(N(C)C)c([N+](=O)[O-])c3)s/c2=C\C(=O)C(C)(C)C)cc1 12542066 XGXIDCWLMNPALD-FHVZNZBFSA-N 479.602 3.465 10 10 JGCE COc1ccc(N2CCN([C@H](CNC(=O)C(=O)Nc3cc(C)ccc3OC)c3ccco3)CC2)cc1 38619711 OHMBLNVRERRSQD-HSZRJFAPSA-N 492.576 3.223 10 10 JGCE Cc1ccc(N2C(=O)N=C(O)/C(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)cc1 96585246 DSMVZOBEKJQPPA-STZFKDTASA-N 472.501 3.315 10 10 JGCE COC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1/C=C/c1ccccc1 254626659 MEEHRTVMIGIUEV-FRSXWNRGSA-N 459.571 3.139 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4ccc5c(c4)OCO5)n4ccccc34)CC2)cc1 1858239031 OXEHSPMEKIZPMD-UHFFFAOYSA-N 499.527 3.286 10 10 JGCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2 1864007543 PEUWGIVTHHMKFT-UWJYYQICSA-N 496.951 3.235 10 10 JGCE CCc1sc(NC(=O)C[C@H](N)C(=O)O)c(C(=O)OC)c1-c1ccc(Br)cc1 1865999718 VEIIDWFREYMTTP-NSHDSACASA-N 455.330 3.267 10 10 JGCE COc1ccc(N2CCN(CCCNC(=O)[C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)CC2)cc1 8813993 NHDWGGNATYJCTL-SFHVURJKSA-N 488.991 3.169 10 10 JGCE C[C@@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc(C(=O)O)cc4)n3)cc2N(C)C1=O 11857952 VQYNBPDKNGANJI-NSHDSACASA-N 459.505 3.053 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)N3CCC(N4c5ccccc5C[C@@H]4C)CC3)CC2)cc1 728749200 MKQXEMMTJKEHHU-QFIPXVFZSA-N 477.653 3.442 10 10 JGCE Cc1cc(CCNC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c(C)n1-c1ccccc1 746424459 BEMQATNFYKSVML-MHZLTWQESA-N 456.546 3.146 10 10 JGCE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 1705566679 QFRCRZZOGRJOFK-QHCPKHFHSA-N 492.649 3.170 10 10 JGCE CN1C(=O)Cc2cc(S(=O)(=O)Nc3nc(-c4cccs4)c(CCC(=O)O)s3)ccc21 1858070064 DMIMSJUXZPFNKP-UHFFFAOYSA-N 463.562 3.209 10 10 JGCE COc1ccc(N2CCN(C(=O)CSc3nc(C)c(-c4cccnc4)c(O)n3)CC2)cc1 1858513296 ACNMXLPCXZSWRS-UHFFFAOYSA-N 451.552 3.002 10 10 JGCE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865037068 LWHYSJUJMKPNMM-HXUWFJFHSA-N 454.571 3.466 10 10 JGCE CCOC(=O)c1c(NC(=O)[C@@H](N)CC(=O)OC)sc(C)c1-c1ccc(Br)cc1 1865965649 IAZGPLFXHAXQRY-ZDUSSCGKSA-N 469.357 3.492 10 10 JGCE COc1ccc(C(=O)N[C@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC 1867293963 QGBJFUFNNZPFRC-AUSIDOKSSA-N 482.625 3.232 10 10 JGCE O=C(CCCc1ccc2c(c1)OCCO2)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868136428 XIRQLNBFNIJKRB-UHFFFAOYSA-N 484.508 3.311 10 10 JGCE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCOC[C@H]2C)n1 1868254380 NSKDKOHQXKHJFG-MRXNPFEDSA-N 458.518 3.410 10 10 JGCE CCCCCn1cc(OCC(=O)NC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870511632 GBDKOTBFUYICRI-UHFFFAOYSA-N 484.641 3.273 10 10 JGCE COCCN1C(=O)C(=Cc2c(N3CCC(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 2053515721 HHCYEQKWUGUNQX-UHFFFAOYSA-N 458.609 3.087 10 10 JGCE CCC[C@H](CNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 2233918479 KLTOGWSRDBZSRS-SJORKVTESA-N 481.590 3.343 10 10 JGCE CCOc1c(Br)cc(C=C2C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc1OC 2297331638 VXFICDGDHRUBDS-UHFFFAOYSA-N 494.367 3.310 10 10 JGCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccccc4)cc3)C(=O)N=C2S1 20208155 PAKDZQGGLVWLCL-LEBISVFGSA-N 484.559 3.156 10 10 JGCE CCCCCCN1C(=O)/C(=C\c2c(NCCOCCO)nc3c(C)cccn3c2=O)SC1=S 39729120 UEPABAFUMHKTFX-OBGWFSINSA-N 490.651 3.205 10 10 JGCE COC(=O)c1cc(S(=O)(=O)Nc2nc3c(s2)CCc2ccccc2-3)c(C(=O)OC)s1 727244261 WRXHERAPONXDHR-UHFFFAOYSA-N 464.546 3.344 10 10 JGCE CC[C@@H](NC(=O)c1cccc(Br)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862041659 PLHSVJKNUDXZHU-HXUWFJFHSA-N 460.372 3.315 10 10 JGCE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864008488 LGIVATPPMRJZCG-JOCHJYFZSA-N 472.501 3.255 10 10 JGCE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864011385 TTXBBWISYVXXDE-RNODOKPDSA-N 498.967 3.081 10 10 JGCE CCc1cccc(CC)c1NC(=O)COc1nonc1C(=O)N1CCN(c2ccc(OC)cc2)CC1 1872675224 FABZNSPFEBEURN-UHFFFAOYSA-N 493.564 3.183 10 10 JGCE CO[C@H](c1cc(O)nc(O)c1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952774095 DDJAIAHMDCJVDW-FCHUYYIVSA-N 450.447 3.172 10 10 JGCE CCN(CC)CCOC(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 2296939538 QMEIWISDTZWHIS-UHFFFAOYSA-N 484.940 3.417 10 10 JGCE CC1=NN(c2ccc(I)cc2)C(=O)C1=CNc1ccc(O)c(C(=O)O)c1 2297533265 BWNKXQIYHPEVEK-UHFFFAOYSA-N 463.231 3.414 10 10 JGCE COc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] 2313557986 QFPGXGCLLYWAFT-UHFFFAOYSA-N 464.203 3.171 10 10 JGCE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(I)cc1 2313559144 RVKIGXNOYCMRHC-UHFFFAOYSA-N 452.248 3.262 10 10 JGCE O=C(CN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)Nc1cc(C(=O)O)ccc1C(=O)O 16922144 QNUYSBZIXHCJHU-CHHVJCJISA-N 460.464 3.062 10 10 JGCE COc1ccc(N2CCN(c3ncnc4c3cnn4CCNC(=O)c3cc4ccccc4o3)CC2)cc1 38483598 XPMFUKGLXZTSRK-UHFFFAOYSA-N 497.559 3.338 10 10 JGCE COc1ccc2c(c1OC)C(=O)O[C@@H]2NN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S 207328974 LOEADNTWFDNDOR-ZGUWOUCSSA-N 473.488 3.187 10 10 JGCE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3c(O)cccc3F)cc2)cc1 1156164141 OMNCDTPYKMSKCL-UHFFFAOYSA-N 456.495 3.142 10 10 JGCE COC(=O)c1ccnc(NC(=O)CCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 1858763200 PTSZBSUFNPIWFF-UHFFFAOYSA-N 457.442 3.001 10 10 JGCE CCCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862057153 CPAORYSOTUBNJA-QHCPKHFHSA-N 451.567 3.437 10 10 JGCE Cc1ccc(S(=O)(=O)n2cccc2C(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)cc1 1865959832 YBVNPLVOGPXXSJ-HSZRJFAPSA-N 477.590 3.352 10 10 JGCE CC[C@@H](NC(=O)C(=O)Nc1ccc(F)c(F)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866857766 OVEIDNLPGZVVMM-LJQANCHMSA-N 491.450 3.212 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCc4ccncc4)nc(Nc4ccc(O)cc4)[nH]3)CC2)cc1 1871717287 AETVJNFKTDMBBZ-UHFFFAOYSA-N 484.564 3.085 10 10 JGCE CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccc2F)C1=O 1873166844 JLTCEJQMFIPOML-UHFFFAOYSA-N 474.536 3.239 10 10 JGCE CC[C@@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN2CCOCC2)C1=O 1873168474 WLBXGOUVAMHXLI-LJQANCHMSA-N 464.610 3.284 10 10 JGCE Cc1ccc(-c2ccc(C=C3SC(=S)N([C@@H](CC(=O)O)C(=O)O)C3=O)o2)cc1[N+](=O)[O-] 2296885444 VGHNWSDUVHFRBQ-ZDUSSCGKSA-N 462.461 3.292 10 10 JGCE COc1ccccc1C=C1SC(=S)N(CCC(=O)Nc2ccc(O)c(C(=O)O)c2)C1=O 2297477447 OMVNBXVFPFRQJB-UHFFFAOYSA-N 458.517 3.329 10 10 JGCE COc1cc(C=C2C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc(I)c1O 2297624259 LTHZLPRXBDYBMI-UHFFFAOYSA-N 464.259 3.084 10 10 JGCE CN(C)c1ccc(C2N(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 6287083 KGYIXNFUOJFMDX-UHFFFAOYSA-N 471.604 3.147 10 10 JGCE CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/c3ccc(O)c(OC)c3)SC2=S)cc1 15035969 GKSQSIGQDOEHFO-WQRHYEAKSA-N 472.544 3.417 10 10 JGCE CCC1=NN2C(=N)/C(=C\c3ccc(OCc4cc(=O)n5nc(CC)sc5n4)cc3)C(=O)N=C2S1 20332043 CIRIWXVXZRHDHP-DALCUZTNSA-N 493.574 3.322 10 10 JGCE Cc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)cc2)cc1 20356603 GKHRVSKSQVHWHR-INYGCOGDSA-N 491.573 3.362 10 10 JGCE CCOC(=O)c1sc2ncc(S(=O)(=O)Nc3cccc(N4CCOCC4)c3)cc2c1C 116684033 DWEZAJALGBZIIL-UHFFFAOYSA-N 461.565 3.419 10 10 JGCE O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 606672040 LIFQEMWGPSQWLQ-UWNXQOIWSA-N 471.585 3.243 10 10 JGCE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864011150 QSMVHJVOOCCABU-FQEVSTJZSA-N 498.967 3.347 10 10 JGCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864021305 ADVUWNXPSZUKPL-BZNIZROVSA-N 489.454 3.307 10 10 JGCE CN(C)c1ccc([C@H](NC(=O)c2cc(=O)c3c(Cl)ccc(O)c3[nH]2)c2nccn2C)cc1 1866553475 WNSCODPVUAEMKO-FQEVSTJZSA-N 451.914 3.206 10 10 JGCE CCn1c(=O)c2cc(S(=O)(=O)Nc3nc(-c4ccccc4)cs3)ccc2n(CC)c1=O 1892026081 DOIJXANOKCNXLH-UHFFFAOYSA-N 456.549 3.127 10 10 JGCE COc1cc(C=C2C(=N)N3N=C(c4cccc(C)c4)SC3=NC2=O)ccc1OCC(=O)O 2293199857 ZIOKGDHIPKEIGM-UHFFFAOYSA-N 450.476 3.134 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1CCc2cc(O)c(O)cc2C1 2366909666 LINZJSAMODCVPB-IBGZPJMESA-N 470.522 3.009 10 10 JGCE CCOC(=O)c1ccc(N2C(=O)C[C@H](N3C(=O)/C(=C/c4ccc(OC)cc4)SC3=S)C2=O)cc1 101974203 DWDZSTRUSJOBIP-IZILLXMLSA-N 496.566 3.405 10 10 JGCE CN1CCN(C(=O)Nc2ccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2)CC1 586662684 QCCPZQQNEVLUQZ-UHFFFAOYSA-N 468.513 3.494 10 10 JGCE COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] 1083892756 QFPGXGCLLYWAFT-SDQBBNPISA-N 464.203 3.171 10 10 JGCE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(N2CCOCC2)c(F)c1 1705593051 DOUKNHFXDBPKQZ-UHFFFAOYSA-N 478.959 3.480 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)CCCOc3ccc(C)cc3)CC2)cc1 1862214848 LXBQXANNLCUXRV-DEOSSOPVSA-N 483.634 3.413 10 10 JGCE COc1ccccc1C(=O)N[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867902515 VMBDLOXAPQRHHA-CVDCTZTESA-N 452.599 3.223 10 10 JGCE CCCNC(=O)COc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 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C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 2108228673 QBGCEWKRQCOWSY-SFHVURJKSA-N 461.298 3.465 10 10 JGCE COc1ccccc1C=C1SC(=S)N(N[C@H]2OC(=O)c3c2ccc(OC)c3OC)C1=O 2314600061 ADSSETRKWAWYOL-SFHVURJKSA-N 458.517 3.287 10 10 JGCE CN(C)c1ccc([C@@H]2N[C@](Cc3ccc(O)cc3)(C(=O)O)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]23)cc1 33630590 QGBKJUXWUGSMSC-TVQWTUMOSA-N 491.588 3.103 10 10 JGCE CN1CCN(CN2C(=O)/C(=C3/SC(=S)N(c4ccc(F)cc4)C3=O)c3ccccc32)CC1 33719630 BMDHNKKZGSFYAJ-FMQUCBEESA-N 468.579 3.153 10 10 JGCE CCN(CC)c1ccc(CN(C[C@@H](O)COc2ccc(C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 40312852 ROGRYDYMHZQTOL-DNQXCXABSA-N 460.640 3.270 10 10 JGCE Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C\Nc3ccc(C(=O)O)c(O)c3)C2=O)cc1C 109377746 NERACJSKGYOKNG-MDWZMJQESA-N 474.267 3.049 10 10 JGCE CCN(CC)c1ccc(C=c2sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(C)N=3)cc1 254439392 NWXFRAPXBQHRPB-QHCPKHFHSA-N 461.587 3.254 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CCCCN3Cc3cccc(F)c3)cc2)CC1 1154276073 NGKZEBOXIPPUEG-RUZDIDTESA-N 452.574 3.165 10 10 JGCE CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3Cc3ccc(N(C)C)c(F)c3)C[C@@H]2C)CC1 1741038467 WDSUHYRIEQBQKR-YADARESESA-N 485.652 3.034 10 10 JGCE CC[C@](C)(NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861958550 LMJULDAFHVDVEE-SXAZAVRTSA-N 466.538 3.250 10 10 JGCE CS(=O)(=O)CC[C@H](C(=O)Nc1ccc(Oc2ccc(N)cc2)cc1)N1C(=O)c2ccccc2C1=O 1865987919 CNCBGHSGWMMVMB-JOCHJYFZSA-N 493.541 3.099 10 10 JGCE C[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866611106 NCNSJAVULJJPET-MRXNPFEDSA-N 481.508 3.346 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)Cc3ccc4nc(O)c(C)cc4c3)C(C)C)CC2)cc1 1868809189 OKTMNAOOYVKOLM-SANMLTNESA-N 490.604 3.290 10 10 JGCE COc1ccc(-c2csc(CCC(=O)NCC(=O)N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 1868913679 OOXJTZJYSANYHE-UHFFFAOYSA-N 494.617 3.225 10 10 JGCE COc1ccc(C(=O)NCCN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)c(OC)c1 2040496250 OMLMVGMGWKBTAL-UHFFFAOYSA-N 472.544 3.064 10 10 JGCE Cc1ccc(C(=O)Oc2ccc(C=C3C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)cc2)cc1 2297352825 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CJUFMDQVHKYPTQ-VJBWXMMDSA-N 480.476 3.340 10 10 JGCE CCN1C(=O)/C(=C\NCCS[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)SC1=S 103577081 MSFBGRSPPMNBDA-MFYHJKBNSA-N 470.041 3.325 10 10 JGCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)Nc1cc([N+](=O)[O-])ccc1C 103920161 HYNAEMIFUAHLPU-DEDYPNTBSA-N 453.411 3.463 10 10 JGCE O=C1c2ccc(S(=O)(=O)O)c(S(=O)(=O)O)c2C(=O)[C@H]1c1ccc2c(ccc3ccccc32)n1 104966711 DGWSYIALHUJWQP-IBGZPJMESA-N 483.479 3.044 10 10 JGCE C[C@H]1CN(c2ccc(CNC(=O)NC3CCN(C(=O)CC(F)(F)F)CC3)cc2F)C[C@H](C)O1 727034123 MGSUUNWGIPPYHV-GJZGRUSLSA-N 474.499 3.182 10 10 JGCE COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)COC(=O)C3=COCCC3)c2C)c1 730849952 NENIHAOIWXLHFR-UHFFFAOYSA-N 455.463 3.088 10 10 JGCE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2 1865026124 GFQWQURINQBWBZ-FDDCHVKYSA-N 490.560 3.050 10 10 JGCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCCC1)[C@@H]2c1ccc(O)c(O)c1 1865033501 AYWPBAVFTVYYEG-OAHLLOKOSA-N 466.460 3.286 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cccc(COc4cccc(-n5cnnn5)c4)c3)CC2)cc1 1872848688 RAFFFGHTZVEMMF-UHFFFAOYSA-N 470.533 3.212 10 10 JGCE COCCn1c(C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)cc2c(=O)n3ccccc3nc21 1891073580 QXLKOKSBOFYLEI-FPOVZHCZSA-N 471.561 3.214 10 10 JGCE COCCCN1C(=O)C(=Cc2c(N3CCCCC3)nc3ccc(C)cn3c2=O)SC1=S 2053516109 YOCZZTVATYSPCQ-UHFFFAOYSA-N 458.609 3.231 10 10 JGCE CC(C)N(CCNC(=O)OC(C)(C)C)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200951636 MIVIKPHAZODVKI-KRWDZBQOSA-N 481.590 3.295 10 10 JGCE O=C(O)[C@H](Cc1cnc[nH]1)N1C(=O)C(=Cc2ccc(Br)cc2F)SC1=S 2323718701 RBZPUKMLNIOAHQ-LBPRGKRZSA-N 456.318 3.208 10 10 JGCE COc1ccc(C2(CN/C=C3/C(=O)N=C(S)N(c4ccccc4)C3=O)CCOCC2)cc1 102737576 YYKJUXSZMXCCIS-HKWRFOASSA-N 451.548 3.076 10 10 JGCE COC(CNC(=O)c1ccc(NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1)OC 586694011 WMBTYDAWNJCDDD-UHFFFAOYSA-N 473.485 3.455 10 10 JGCE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(N(C)C)c(F)c1 1705495481 QJQYOIGGJYQGIS-LAUBAEHRSA-N 486.592 3.298 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cc(N=c4nc(O)cc(C(C)C)[nH]4)ccc3O)CC2)cc1 1858172209 NLFQTEFTSUCOHF-UHFFFAOYSA-N 463.538 3.148 10 10 JGCE COc1ccc(S(=O)(=O)Nc2nc3ccc(C(=O)NCCc4ccc(O)c(O)c4)cc3s2)cc1 1860360454 MNHWGMOGOHHXPB-UHFFFAOYSA-N 499.570 3.489 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 1861920170 QEKIFMJRCXZSCA-VWLOTQADSA-N 488.544 3.293 10 10 JGCE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCC(C)C)[C@H]2c1ccc(O)c(O)c1 1864017662 RBNUZEJHGZVNJX-FQEVSTJZSA-N 478.549 3.457 10 10 JGCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCc1cccs1)[C@H]2c1ccc(O)c(O)c1 1864022396 VQENLHBQWLWQIJ-IBGZPJMESA-N 468.579 3.382 10 10 JGCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2 1865030352 IEDQUHQSPAKOLN-VWKPWSFCSA-N 484.597 3.233 10 10 JGCE Cc1ccc(CN2C(=O)C(=Cc3c(N4CCN(C)CC4)nc4ccccn4c3=O)SC2=S)cc1 2053510530 HGKWOBUCQFQAKN-UHFFFAOYSA-N 491.642 3.156 10 10 JGCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)C=Cc3ccc(F)cc3)cc2)cc1 2330899547 CMSUUBYQUDXDMB-UHFFFAOYSA-N 483.521 3.257 10 10 JGCE Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3nc(Br)ccc3Br)C2=O)cc1 101350069 HZVKWEAIGCOSPB-DHZHZOJOSA-N 480.116 3.494 10 10 JGCE O=C(CNc1ccccc1C(=O)c1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 257628543 DOETWARAXUKNKP-UHFFFAOYSA-N 464.543 3.233 10 10 JGCE COc1ccc(-n2c(C)cc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c3ccc(S(N)(=O)=O)cc3)c2C)cc1 857434520 GDRSXAUBVFSKQJ-AEFFLSMTSA-N 499.589 3.173 10 10 JGCE CCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861909793 JOSJKJTUUNHLNF-NRFANRHFSA-N 454.527 3.159 10 10 JGCE COc1ccc(Cl)cc1N1C[C@H](C(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)CC1=O 1865924387 SSVFEPAIDXQWFE-HXOBKFHXSA-N 481.984 3.407 10 10 JGCE CCc1sc(NC(=O)[C@@H](N)CC(=O)OC)c(C(=O)OC)c1-c1ccc(Br)cc1 1865965860 NQAOIHUJDWZFCU-LBPRGKRZSA-N 469.357 3.356 10 10 JGCE CCn1cc(OCc2c(C)noc2C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870563069 KXJSVEUZVJENTD-UHFFFAOYSA-N 452.555 3.383 10 10 JGCE CC[C@H](C)N1C(=O)C(NCCCN2CCOCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169283 INWBAGIAJLUCAZ-IBGZPJMESA-N 464.610 3.284 10 10 JGCE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCNC(C)=O)C2=O)cc1 1873421985 ABUUBYUQUHQBJM-UHFFFAOYSA-N 472.545 3.431 10 10 JGCE Cc1cc(C)cc(OCCOc2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c1 2297345798 CUAQULLNVGBEBX-UHFFFAOYSA-N 498.586 3.383 10 10 JGCE O=C1CN(Cc2ccc(N3CCCC3)cc2)C[C@H](OCc2ccccn2)CN1CC1CCOCC1 14537587 FFTKVJDPTXALTA-MHZLTWQESA-N 478.637 3.338 10 10 JGCE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\Nc1ccc(N2CCOCC2)cc1 104799779 JVRMZNBFWYFGKU-AQTBWJFISA-N 487.379 3.029 10 10 JGCE NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)cc1 210701251 KPGSIXNABHLDJQ-WOJGMQOQSA-N 486.600 3.045 10 10 JGCE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@H](C(=O)NCc4ccncc4)[C@H]3C2)cc1 247954972 NTPFUOMZVIWFPI-AZGAKELHSA-N 458.562 3.283 10 10 JGCE CCc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@](C(=O)O)(c2ccccc2)N[C@H]3c2cccc(OC)c2O)cc1 251924382 CADOALNAMLLPSU-KYALDGGBSA-N 486.524 3.393 10 10 JGCE COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CC(=O)N4C)c(C)s2)c1 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3.235 10 10 JGCE O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccncc2)SC(=S)N1CCS(=O)(=O)O 33808822 VSLMNJKJGFEYFA-SFQUDFHCSA-N 472.573 3.023 10 10 JGCE COc1ccc(N2CCN(C(=O)Cn3nc(-c4ccc5ccccc5c4)ccc3=O)CC2)cc1 585173467 SCVHKJZGIUZZKT-UHFFFAOYSA-N 454.530 3.421 10 10 JGCE CC(=O)N(C)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(N(C)C)cc2C)CC1 1705956778 CIGKSQVWBVUZBL-UHFFFAOYSA-N 461.614 3.134 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)N4CCC[C@@H](C)C4)c4ccccn34)CC2)cc1 1858224414 VNBBUHREEHXWNI-LJQANCHMSA-N 461.566 3.177 10 10 JGCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC[C@@H]1CCCO1)[C@H]2c1ccc(O)c(O)c1 1864016886 ZOVGLOKQNHGPEH-RXVVDRJESA-N 490.560 3.361 10 10 JGCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@H](C)N(CCCOC)[C@H](C)C2)n1 1869129275 CHGBNYSFADXKAS-SZPZYZBQSA-N 482.673 3.310 10 10 JGCE COc1ccc(N2CCN(c3nc(NC(=O)CCc4ccc(Cl)cc4)n(C)n3)CC2)cc1 1869970140 ZUSLPYOILDLWKX-UHFFFAOYSA-N 454.962 3.375 10 10 JGCE CC(=O)NCCn1cc(OCCCO)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871268414 QMGKXKOWOJFJTQ-UHFFFAOYSA-N 450.539 3.101 10 10 JGCE COc1ccc(N2CCN(c3ncnc4c3ccc(=O)n4-c3cccc(NC(C)=O)c3)CC2)cc1 1873533443 IRVOYQIRORMFGD-UHFFFAOYSA-N 470.533 3.074 10 10 JGCE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@H](C(=O)NCCN4CCCCC4)[C@@H]3C2)cc1 35911093 PVFKBUBNVOVWTJ-BDYUSTAISA-N 478.637 3.173 10 10 JGCE Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c(C)n1-c1ccccc1 62694372 ZXUABXWQZLREMO-UHFFFAOYSA-N 495.601 3.055 10 10 JGCE Cc1cc(/C=C\C(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c(C)n1-c1ccccc1 96859858 FNEKZEJGKDICHZ-PFONDFGASA-N 469.545 3.251 10 10 JGCE N=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 102469194 AMCZFIJSIRMCQP-YPCMJIQLSA-N 478.490 3.486 10 10 JGCE C[C@H]1CN(c2ccc(CNC(=O)CN3CCN(c4ccc(F)cc4)CC3)cc2F)C[C@@H](C)O1 916977974 CMPUQPPVJSGLDP-KDURUIRLSA-N 458.553 3.017 10 10 JGCE CC(=O)N1CC[C@@H](CN(C)c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCOCC3)cc2)C1 1749797635 DBBGKZLBHAKOAD-QFIPXVFZSA-N 468.646 3.056 10 10 JGCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)COc3ccc(Cl)cc3)cc2)cc1 1858955674 KIWPZZVJFZKLBO-UHFFFAOYSA-N 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CC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862217187 FWAVLSCDRNKSDA-VGSWGCGISA-N 459.974 3.360 10 10 JGCE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2 1864008318 IEBBUXCIOZHVEI-DYESRHJHSA-N 496.951 3.235 10 10 JGCE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865035551 WTBRQZAKVXXGBD-MGPUTAFESA-N 454.571 3.466 10 10 JGCE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865035713 ZRTWICQHPYSMEY-YCRPNKLZSA-N 475.549 3.337 10 10 JGCE Cc1ccc(COc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)cc1 2297345197 BKAJHNPVEYKURH-UHFFFAOYSA-N 454.533 3.195 10 10 JGCE Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1 19078688 DRQDMSUYJGHMDU-UHFFFAOYSA-N 481.603 3.246 10 10 JGCE CCOCCCN1C(=O)/C(=C\c2c(N3CCCC3)nc3ccc(C)cn3c2=O)SC1=S 33458363 NVAISTHDWRAHFI-GHRIWEEISA-N 458.609 3.231 10 10 JGCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1cc(OC)ccc1OC)C(=O)NC(C)(C)C 35964002 DOWDKLHLCIBGOY-QFIPXVFZSA-N 499.612 3.177 10 10 JGCE Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@@H]23)cc1 105628913 ZKMGVGBYVFYTKR-VJBWXMMDSA-N 481.460 3.419 10 10 JGCE CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)cc1 731406475 MFSQOPXLUBQXKW-QFIPXVFZSA-N 487.622 3.083 10 10 JGCE CC[C@H](C)[C@@H](NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21)C(=O)OC 1616127596 VRLFAWYUUNPJPR-BQVXCWBNSA-N 488.588 3.492 10 10 JGCE COc1ccc2[nH]cc(/C=C3/SC(=S)N(Cc4ccc(S(N)(=O)=O)cc4)C3=O)c2c1 1858588677 RMHQAFZHHJTFDC-QGMBQPNBSA-N 459.574 3.225 10 10 JGCE CCCOc1ccc(CC(=O)N[C@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1C 1861900494 SPBFCPKDYVYNCR-HXUWFJFHSA-N 453.583 3.188 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)[C@H]3CCCN(Cc4ccccc4Cl)C3)CC2)cc1 1861992071 GLUORXZQIIOPBQ-IRLDBZIGSA-N 499.055 3.414 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)COc3ccc(Cl)cc3Cl)CC2)cc1 1862202236 GISWZJLWCUBTGT-OAHLLOKOSA-N 466.365 3.234 10 10 JGCE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864009175 BLOBWUKAESRRGK-LJQANCHMSA-N 454.552 3.331 10 10 JGCE CCOC(=O)C1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(CC)n2)CC1 1867957579 DRJQXNMFYQSSNO-UHFFFAOYSA-N 453.587 3.154 10 10 JGCE COc1ccc(N2CCN(c3cc(N4CCC5(CC4)OCCO5)nc(C(C)(C)C)n3)CC2)cc1 1867968925 GQRKGEPHOAXRCD-UHFFFAOYSA-N 467.614 3.453 10 10 JGCE C[C@H](Oc1ccc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1)c1ccccc1 2297344985 DQNBUWKZKDOUHW-ZDUSSCGKSA-N 454.533 3.448 10 10 JGCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3C)C2=O)ccc1O[C@@H](C)C(=O)O 2314931879 IRWGVJOLSCTJAG-ZDUSSCGKSA-N 472.544 3.402 10 10 JGCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)N=C2S1 20208549 CDBMOZQEEBAJSR-WBIXSPHCSA-N 455.565 3.414 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4[N+](=O)[O-])cc3)C(=N)N21 96460536 OXFHPFQMCRGBTK-JUVBEIPNSA-N 499.530 3.185 10 10 JGCE CN(C)c1ccc([C@@H]2N[C@](Cc3ccc(O)cc3)(C(=O)O)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]23)cc1 106659228 QGBKJUXWUGSMSC-DELVEFKNSA-N 491.588 3.103 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)c3cccc(C)c3I)CC2)cc1 742919361 GMEOCQGKLGYQKJ-UHFFFAOYSA-N 479.362 3.160 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)Cc3csc(-c4cccc(F)c4)n3)cc2)CC1 1638587372 MQFBEYFJWXBSAZ-UHFFFAOYSA-N 452.555 3.477 10 10 JGCE C=CCS(=O)(=O)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC(C)(OC)C1 1705930599 QSQNVWUEWWGCRF-UHFFFAOYSA-N 469.611 3.179 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCOC(C)C)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873165060 AFYOGQSRKDADJQ-UHFFFAOYSA-N 461.566 3.154 10 10 JGCE CCCOc1c(I)cc(C=C2SC(NC(C)=O)=NC2=O)cc1OC 2293715987 IDJIDOUGDFGKGU-UHFFFAOYSA-N 460.293 3.195 10 10 JGCE CCc1ccc(C=C2SC(=S)N(CCCC(=O)NCCCN3CCOCC3)C2=O)cc1 2296754959 WTSYYCPHHPSDJS-UHFFFAOYSA-N 461.653 3.069 10 10 JGCE CN(C)c1ccc(C=CCN2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)cc1 2297625509 CQFDZVWVZOZTCN-UHFFFAOYSA-N 450.631 3.155 10 10 JGCE O=C(O)CCN1C(=O)C(=C2C(=O)N(CC(=O)c3ccc(F)cc3)c3ccccc32)SC1=S 2326944945 PCZBGIFYWOIDEV-UHFFFAOYSA-N 470.503 3.101 10 10 JGCE CCN(CC)CCNC(=O)c1sc2ncnc(N3CCN(c4ccc(OC)cc4)CC3)c2c1C 10013159 RJROXTXJIBGDQT-UHFFFAOYSA-N 482.654 3.407 10 10 JGCE C[C@@H](NC(=O)CN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S)C(=O)O 15036874 GVQDAWULXZBFEW-JVVDOCDTSA-N 456.545 3.056 10 10 JGCE CCN1C(=O)/C(=C\c2c(NCc3ccc4c(c3)OCO4)nc3ccccn3c2=O)SC1=S 33721029 BRTZVDAQAOPRJP-LICLKQGHSA-N 466.544 3.256 10 10 JGCE O=C(COc1ccc2ccccc2c1Br)NCc1ccc(N2CCNC(=O)C2)cc1 106263621 YENVTWJQGYRXGY-UHFFFAOYSA-N 468.351 3.234 10 10 JGCE COC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1/C=C\c1ccccc1 254626660 MEEHRTVMIGIUEV-PRBYSHKLSA-N 459.571 3.139 10 10 JGCE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865029264 JMFVHIPGWJLJMB-FQEVSTJZSA-N 498.967 3.035 10 10 JGCE CCCCCCn1cc(OCC(=O)NCC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870534075 MGOXUAYCKBULPB-UHFFFAOYSA-N 484.641 3.274 10 10 JGCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc(OC)c1O 2313548994 KXHPDQSIBNMIKL-UHFFFAOYSA-N 475.295 3.455 10 10 JGCE Cc1ccc(OCCN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 2326944970 XLTAFVNFUYSFNQ-UHFFFAOYSA-N 468.556 3.467 10 10 JGCE CCCC1=NN(c2ccccn2)C(=O)C1=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2332105168 DROYRJPPNORUNQ-UHFFFAOYSA-N 450.539 3.388 10 10 JGCE COc1cc(/C=C2\SC(=S)N(N3CCN(C)CC3)C2=O)ccc1OCC(=O)Nc1ccccc1 35519991 JYDMTYWSOUEVBJ-QNGOZBTKSA-N 498.630 3.076 10 10 JGCE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccc(F)cc3F)c3ccco3)CC2)cc1 38619233 WFFOZAMOGPKGRN-OAQYLSRUSA-N 477.533 3.408 10 10 JGCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2 1864013966 KABCTEHAZSCQFV-NRFANRHFSA-N 492.532 3.006 10 10 JGCE CCc1nn(C)c2c1[C@@H](c1ccccc1C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865659865 KKMMJNUNAXPMCO-HSZRJFAPSA-N 487.604 3.343 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(C)c4)cn3CCCO)CC2)cc1 1870622174 SGRQURMKYOVZFX-UHFFFAOYSA-N 477.605 3.449 10 10 JGCE CCOc1cc(C=C2C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)ccc1OS(C)(=O)=O 2297344775 YDGDIEWCQIOYAD-UHFFFAOYSA-N 484.559 3.400 10 10 JGCE CCSc1ccccc1C(=O)NCCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 11796574 KYANOTUOSWWFTD-UHFFFAOYSA-N 477.652 3.079 10 10 JGCE CCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(CC)CC2)SC1=S 33478990 SYXGNWHPIWXDQU-XMHGGMMESA-N 473.668 3.192 10 10 JGCE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CC(=O)O)C2=O)c1 39835911 CBAWWOLPDZNFCF-MHWRWJLKSA-N 467.528 3.389 10 10 JGCE CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@](C(=O)O)(c1ccccc1)N[C@H]2c1cc(Br)ccc1O 248263416 WWDSFHXDANTQFE-YWNPBTLJSA-N 487.350 3.180 10 10 JGCE Cc1cc(C(=O)COC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)c(C)n1-c1ccc2c(c1)OCCO2 800355224 CTUREJQSRUFJPZ-HOYKHHGWSA-N 470.547 3.045 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])cc2)CC1 1138228624 GEBVSZSLCIXMRN-UHFFFAOYSA-N 459.506 3.255 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc4nc(C)c(C)nc4c3)CC2)cc1 1862076843 HQWZREPZFWVQEP-RUZDIDTESA-N 473.577 3.209 10 10 JGCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2 1864013796 GGWFERIKAKUPGG-NRFANRHFSA-N 485.629 3.055 10 10 JGCE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCc3ccccc3C1)[C@H]2c1ccc(O)c(O)c1 1865034466 XBLUESHLLBATLW-KRWDZBQOSA-N 486.450 3.130 10 10 JGCE CCOC(=O)[C@H]1CCCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(CC)n2)C1 1867958833 CGCZLAKDVZRYDY-IBGZPJMESA-N 453.587 3.154 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4)cn3C[C@@H](C)O)CC2)cc1 1870468621 MBXOYNCHMRNPDX-OAQYLSRUSA-N 463.578 3.139 10 10 JGCE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)c4cnc(C)cn4)cc3)CC2)cc1 1874742360 LUHOJTHTARXOBP-UHFFFAOYSA-N 460.534 3.408 10 10 JGCE Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(C=C3SC(=S)N(C)C3=O)c(=O)n2c1 2053511807 JYCRCEHTVNFVRL-UHFFFAOYSA-N 491.642 3.156 10 10 JGCE COC(=O)CC(=O)C[C@](N[S@](=O)C(C)(C)C)(c1ccc(N2CCOCC2)cc1)c1ccsc1 2054740418 YKRQQUHBXKVNRD-CAQRMWTPSA-N 492.663 3.402 10 10 JGCE CCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br 2297349858 SPJHNOVWWDXISM-UHFFFAOYSA-N 460.240 3.422 10 10 JGCE CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)NC(=O)CO4)c(C)s2)cc1 11857867 JMPAWKIWLVZVHR-UHFFFAOYSA-N 458.521 3.209 10 10 JGCE Cn1c(=O)c2nc(Br)n(CC(=O)Nc3ccc(/N=N/c4ccccc4)cc3)c2n(C)c1=O 18999062 ASONHYUHROYZDD-OCEACIFDSA-N 496.325 3.250 10 10 JGCE COCCNC(=O)Cn1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N=C2O)c2ccccc21 33441551 RGNKHROAVWPUAI-MOSHPQCFSA-N 460.490 3.219 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)N3CCC[C@@H](CN4CCCCCC4)C3)CC2)cc1 728749285 PUTCTBGJKRBKBF-QHCPKHFHSA-N 457.663 3.115 10 10 JGCE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865035712 ZRTWICQHPYSMEY-VFNWGFHPSA-N 475.549 3.337 10 10 JGCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccccn4)n(-c4ccccc4)n3)CC2)cc1 1869970452 JOIFTSLZGJOWCG-UHFFFAOYSA-N 455.522 3.250 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cn(Cc4ccc(Cl)cc4)c(=O)cc3O)CC2)cc1 1870119899 MCKYWOLQYUIERZ-UHFFFAOYSA-N 453.926 3.227 10 10 JGCE COCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc3c(c2)OCO3)C1=O 1873165208 IINXDFDHFMYXIB-UHFFFAOYSA-N 473.529 3.339 10 10 JGCE CCN(CC)CCN1C(=O)C(NCCCn2ccnc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168420 UWECYTGOZIHEQV-UHFFFAOYSA-N 488.636 3.392 10 10 JGCE C[C@H]1C[C@H](NC(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)CN1Cc1ccccc1 2200963344 LKJXJXUQHNRDFU-YYWHXJBOSA-N 469.582 3.313 10 10 JGCE O=C1C(=Cc2c(NC[C@H]3CCCO3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 2314413788 HYZDOWNKVYUOPA-OAHLLOKOSA-N 456.593 3.429 10 10 JGCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(SCc4ccco4)o3)C(=O)N=C2S1 13574572 FOUCUCMUTILNFC-ZJMWYTODSA-N 450.523 3.176 10 10 JGCE CO[C@H]1c2cc3c(c(O)c2-c2c(cc4cc(C)[nH]c(=O)c4c2O)[C@H]1O)C(=O)c1ccc(C)c(O)c1C3=O 15202985 AYAYSZMHAWZBCX-SQHAQQRYSA-N 499.475 3.439 10 10 JGCE biogenic O=C1N=C(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)S/C1=C/c1cccs1 33283102 HIOLNKHUNNABRT-QGOAFFKASA-N 451.529 3.283 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)N[C@H](C)c3ccc(NC(=O)C4CC4)cc3)CC2)cc1 742947562 GONHWQMSTANFDA-LJQANCHMSA-N 465.598 3.226 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)CC2)cc1 743431955 ANEDSRPMHZQPPI-UHFFFAOYSA-N 470.573 3.143 10 10 JGCE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(S(C)(=O)=O)CCC1 1705575022 VVZMRVPIEMIHHQ-UHFFFAOYSA-N 475.618 3.393 10 10 JGCE COc1ccc(N2CCN(c3cc(C(=O)N4CCc5cc(OC)c(OC)cc5C4)ncn3)CC2)cc1 1858253288 JESLWLDAYZOIMD-UHFFFAOYSA-N 489.576 3.028 10 10 JGCE COc1cc(/C=C2/SC(=S)N([C@H](C(=O)O)[C@H](C)O)C2=O)ccc1OCc1ccccc1 1858596230 QDRLFHLUEUCQQZ-SSRWOWMJSA-N 459.545 3.309 10 10 JGCE CCCC[C@@H](NC(=O)c1cccn(CC(C)C)c1=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862016195 IXWZAQAJMPWYJG-XMMPIXPASA-N 482.625 3.150 10 10 JGCE COc1ccc(N2C(=O)NC(=O)C(=CNCCC3CCN(Cc4ccccc4)CC3)C2=O)cc1 2296563701 CDJAOSRCDONTPK-UHFFFAOYSA-N 462.550 3.054 10 10 JGCE COc1ccc(N2CCN(C(=O)C3=C[C@@H]4CS(=O)(=O)c5ccccc5[C@H]4S3)CC2)cc1 2297672765 JIFSCAIWCCQTRF-ZHRRBRCNSA-N 456.589 3.119 10 10 JGCE Cc1ccccc1NC(=O)[C@H](C)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326941576 SKEQCDOVLAXWRH-AWEZNQCLSA-N 495.582 3.415 10 10 JGCE COc1cc(N2CCOCC2)ccc1/C=C1/C(=O)NC(=S)N(c2ccc(Cl)c(C)c2)C1=O 207987072 SJQMADRRDHYORY-PDGQHHTCSA-N 471.966 3.325 10 10 JGCE COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)c(C(=O)O)c1OC 210402647 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O=C1NC(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1ccccc1OCc1ccc(C(=O)O)cc1 2297363619 QSKAFKUWAXSFRR-UHFFFAOYSA-N 458.426 3.336 10 10 JGCE CC[C@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)c1)C(=O)O 2314930998 KOWLDWFUTGYYBN-INIZCTEOSA-N 487.515 3.383 10 10 JGCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(F)cc3)C2=O)ccc1O[C@H](C)C(=O)O 2314933731 XFNUWCGLXOFHCW-LLVKDONJSA-N 476.507 3.232 10 10 JGCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2cc([N+](=O)[O-])ccc2O)N3)CC1 14475892 MEBSMPWSDCJTFW-IEGUWTFLSA-N 470.551 3.063 10 10 JGCE Cc1ccc(C)c(-n2c(C)cc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2C)c1 96460112 QQOQLCJJYGGNNA-WZBMNHFVSA-N 455.565 3.332 10 10 JGCE CCOC(=O)C(=O)[C@H](C(=O)OCC)[C@H](c1ccc(Cl)cc1)C1C(=O)c2ccccc2C1=O 105679477 RYUHQOFWAADZKJ-IEBWSBKVSA-N 456.878 3.431 10 10 JGCE Cc1ccc(-n2ncc(C(=O)NCc3ccc(N4CCNC(=O)C4)cc3)c2C(F)(F)F)cc1 106264414 DXZUUXMOOWHRGI-UHFFFAOYSA-N 457.456 3.066 10 10 JGCE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1705659645 BVMIYBVGBQENPP-OAQYLSRUSA-N 459.591 3.360 10 10 JGCE CCOc1ccc(/C=C/C(=O)N2CCC[C@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1OC 1862160413 CGJFLINWURXDPN-VZAKSBQTSA-N 493.604 3.456 10 10 JGCE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1ccc(F)cc1)[C@H]2c1ccc(O)c(O)c1 1864015206 MCIVFCZFQAJFCL-INIZCTEOSA-N 492.429 3.043 10 10 JGCE COc1ccc(N2CCN(c3cc(N(C)C4CCN(C)CC4)nc(-c4cccnc4)n3)CC2)cc1 1868000671 AQDCGTCAYMLRAT-UHFFFAOYSA-N 473.625 3.404 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)CCc3csc(-c4ccccn4)n3)CC2)cc1 1868906245 NAKODKPDGHQJOJ-UHFFFAOYSA-N 493.633 3.390 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCc4ccc(O)cc4)[nH]c(=Nc4ccccc4)[nH]3)CC2)cc1 1871600501 HTIRMKUWIIZTAZ-UHFFFAOYSA-N 483.576 3.112 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCC(C)C)[nH]c(=Nc4ccc(C)cc4C)[nH]3)CC2)cc1 1871601555 WIPKFLZVUJIFJC-UHFFFAOYSA-N 461.614 3.479 10 10 JGCE O=C(CN1C(=O)C(=Cc2ccccc2F)SC1=S)Nc1cc(C(=O)O)cc(C(=O)O)c1 2314936065 UJIYNNBWXSMTTR-UHFFFAOYSA-N 460.464 3.062 10 10 JGCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2[N+](=O)[O-])N3)CC1 14478087 JQMVLGFBDOSUMM-IEGUWTFLSA-N 454.552 3.357 10 10 JGCE COc1ccc(N2CCN(CCCNC(=O)c3nnc(C(=O)Nc4ccc(C)cc4)s3)CC2)cc1 33060426 BTDHPWZBCDHXNZ-UHFFFAOYSA-N 494.621 3.050 10 10 JGCE COc1ccc(/C=C2/SC(=S)N(CCC(=O)N(CCO)c3ccccc3)C2=O)cc1OC 33373227 NXPWCDPTKZLZOM-HMMYKYKNSA-N 472.588 3.321 10 10 JGCE CCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O 39989941 SQGYXMHMSOZYMR-UYRXBGFRSA-N 472.636 3.419 10 10 JGCE Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCNCc3cc(Cl)ccc3O)cc2)n1 1860714995 HYKXZSKIUQZENH-UHFFFAOYSA-N 489.985 3.372 10 10 JGCE CN(C)c1cccc(NC(=O)c2ccc(N3CCN(C(=O)C(F)(F)Cl)CC3)c([N+](=O)[O-])c2)c1 1860921784 LYRAERRHQSXTQC-UHFFFAOYSA-N 481.887 3.393 10 10 JGCE CN(C)c1ccc([C@H](NC(=O)c2c[nH]c3ccc(N4CCCC4)cc3c2=O)c2nccn2C)cc1 1866469726 XXTWRSCKUSAGHH-DEOSSOPVSA-N 470.577 3.447 10 10 JGCE COc1ccc(N2CCN(c3nc(NC(=O)[C@H](C)Oc4ccc(Cl)cc4)n(C)n3)CC2)cc1 1869970120 YSBLUHXZKOZXCR-INIZCTEOSA-N 470.961 3.210 10 10 JGCE COCCN=c1nc(Nc2ccc(C)c(C)c2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871525572 IHCYFYQHIIWBCD-UHFFFAOYSA-N 463.586 3.047 10 10 JGCE COc1ccc(N2CCN(c3ncnc4c3ccc(=O)n4-c3ccc(OC)c([N+](=O)[O-])c3)CC2)cc1 1873537051 XOYLZICLELKELY-UHFFFAOYSA-N 488.504 3.033 10 10 JGCE COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)SCC(=O)N2C(C)C)cc1 1891961828 DOESKLWXHWQLOV-RPBOFIJWSA-N 483.634 3.446 10 10 JGCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C)C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12 2296732229 KUYQNCUNDTXYKQ-UHFFFAOYSA-N 495.605 3.300 10 10 JGCE COC(=O)c1ccc(N2NC(=O)C(=Cc3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C2=O)cc1 2297307446 VNMLMCZKFKVSRU-UHFFFAOYSA-N 463.402 3.111 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OC(=O)c4ccc(C)cc4)cc3)C(=N)N21 2297345718 VLZAVRXXEZCCMP-UHFFFAOYSA-N 482.543 3.226 10 10 JGCE CCNc1cc(N2CCC(CCC(=O)NCc3ccc(N4CCOCC4)cc3)CC2)ncn1 65274268 DVHZAPGOMNMTRQ-UHFFFAOYSA-N 452.603 3.058 10 10 JGCE O=C1[C@@H]2[C@@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 253577821 XNJSGUASGXONHK-PWRODBHTSA-N 486.411 3.429 10 10 JGCE O=C(CN1CCN([C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1)N1CCCCC1 798199233 ACOZECWJTGHSAA-XMMPIXPASA-N 488.592 3.364 10 10 JGCE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864011039 DBMWNGLGONUWTK-OAQYLSRUSA-N 466.513 3.257 10 10 JGCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864013654 FALGDRAYTXJSCC-FQEVSTJZSA-N 472.586 3.283 10 10 JGCE CN(C)c1ccc([C@@H](NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)c2nccn2C)cc1 1865872439 CSSOZVYZSUYEQW-HXUWFJFHSA-N 460.365 3.429 10 10 JGCE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2106842645 AJVJXLSNJILRGQ-KBPBESRZSA-N 456.509 3.455 10 10 JGCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCC(=O)O)C3=O)c(N3CCC(C)CC3)nc12 2296725429 KEVKHHQOWFHWEW-UHFFFAOYSA-N 486.619 3.305 10 10 JGCE O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)C1=Cc1cc(Br)c(N2CCOCC2)o1 2313610560 ZNMMWLPIWDDPGJ-UHFFFAOYSA-N 496.770 3.363 10 10 JGCE O=C(O)CCCN1C(=O)C(=Cc2cn(CC(=O)NC[C@@H]3CCCO3)c3ccccc23)SC1=S 2326945296 NCFCXKMJLJWBIS-INIZCTEOSA-N 487.603 3.003 10 10 JGCE C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)C=[N+]=N 96839078 SUWBMPNRMSQAHJ-GKVSMKOHSA-O 499.547 3.226 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)Nc3cc(OC)c(OC)cc3Br)CC2)cc1 743303809 BXYGUJPYXLYSAZ-UHFFFAOYSA-N 493.402 3.419 10 10 JGCE C[C@@H](OC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)C(=O)Nc1ncccn1 913360057 HEKYGZUOEXIPOA-SLQMCABGSA-N 462.578 3.090 10 10 JGCE CC(=O)N1CCN([C@H]2CN(c3nnc(C(C)C)n3CCCSc3nccs3)C[C@@H]2C)CC1 1286886055 AKTMKNOKSBGMHV-HKUYNNGSSA-N 477.704 3.029 10 10 JGCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1 1864007128 GMLQDMSCYBMGEY-YEJXKQKISA-N 464.522 3.210 10 10 JGCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864014046 MBDFNEWNVOMABH-NRFANRHFSA-N 477.565 3.309 10 10 JGCE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865035576 XBMOXKPGQYBAMS-DMPWYTOCSA-N 489.576 3.440 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)C[C@H]3CCCCO3)CC2)cc1 1869044119 NXFPZDKJHQTEJK-RPBOFIJWSA-N 465.594 3.031 10 10 JGCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCC(=O)O)C3=O)c(N3CCCCC3)nc12 2040470074 CKOWYAZYUJRKGY-UHFFFAOYSA-N 472.592 3.059 10 10 JGCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(C)C)C3=O)c(N3CCSCC3)nc12 2040498755 OOAYQVKVWIVIBT-UHFFFAOYSA-N 460.650 3.413 10 10 JGCE COc1ccc(C2=NN(C(=O)C=C3SC(=O)NC3=O)[C@H](c3ccc(N(C)C)cc3)C2)cc1 2293228049 AZYPBEQUSWESEJ-IBGZPJMESA-N 450.520 3.306 10 10 JGCE COc1ccc2c(c1OC)C(=O)O[C@@H]2NN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S 2314600147 LOEADNTWFDNDOR-KRWDZBQOSA-N 473.488 3.187 10 10 JGCE CCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cc(C)ccc2C)[C@H]1c1ccc(O)c(O)c1 1864011423 HKMHVMYTLBGKTH-JOCHJYFZSA-N 462.550 3.489 10 10 JGCE NC1=C(C(=O)NC2CC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1 1864015089 JKBIBMKSLXSUQU-MRXNPFEDSA-N 472.423 3.276 10 10 JGCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccccc1F)[C@@H]2c1ccc(O)c(O)c1 1864022345 LWVKCFPGKMTDAU-MRXNPFEDSA-N 492.429 3.483 10 10 JGCE C[C@H]1C[C@@H](C)CN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3C)[C@@H]2c2ccc(O)c(O)c2)C1 1865032122 WAAFLOXDUHGNJI-RWSFTLGLSA-N 466.460 3.049 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@@H](Cc3ccncc3)c3ccccc3)CC2)cc1 1868667681 LODSALHUEWQKGT-LVXARBLLSA-N 472.589 3.270 10 10 JGCE COc1ccc(N2CCN(c3cc(N4[C@@H](C)COC[C@@H]4C)nc(-c4cccnc4)n3)CC2)cc1 1869371792 KIYQDPNMUONLQY-PMACEKPBSA-N 460.582 3.487 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cn(CCc4c[nH]c5ccccc45)c(=O)cc3O)CC2)cc1 1870120109 QKFWJDVPDMLGLL-UHFFFAOYSA-N 472.545 3.249 10 10 JGCE CC(=O)NCCN1C(=O)C(N[C@@H]2CCCC[C@H]2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170251 SFGASONTTDHYPW-UZUQRXQVSA-N 462.594 3.478 10 10 JGCE CC[C@@H](c1ccc(OC)cc1O)n1nc(C(F)F)c(C(N)=O)c1I 2079859071 ZPBQQQBATUGTJU-VIFPVBQESA-N 451.211 3.238 10 10 JGCE COc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c1C 2297346345 XOXRVEOTGMWZFC-UHFFFAOYSA-N 491.982 3.377 10 10 JGCE O=C(NN1C(=O)C(=Cc2ccccc2[N+](=O)[O-])SC1=S)c1cc(O)nc2ccccc12 2297497691 DGHAXIOTUFXFHU-UHFFFAOYSA-N 452.473 3.395 10 10 JGCE O=C1NC(=O)N(c2cccc3ccccc23)C(=O)C1=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1 2313548278 QUTWNXJHMGOXPF-UHFFFAOYSA-N 472.457 3.251 10 10 JGCE C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C(=CC=Cc2ccccc2)SC1=S 2314836863 LFFHLUYRTPSOOW-CQSZACIVSA-N 473.601 3.119 10 10 JGCE COc1ccc(-c2csc(N3N=C(C)[C@@H](N=Nc4ccc(S(N)(=O)=O)cc4)C3=O)n2)cc1 575732631 GFTVOBFXJOFBRF-GOSISDBHSA-N 470.536 3.341 10 10 JGCE CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)cc21 1213978186 GNWHSDBGLMVPSA-XDHUDOTRSA-N 458.628 3.194 10 10 JGCE CN(C)c1ccc(/C=C\CN2CC(=O)N(CC3CCOCC3)C[C@H](OCc3ccncc3)C2)cc1 1565504473 SGWFXSWBAQBWIM-JKPDADKSSA-N 478.637 3.317 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCCC[C@@H]3NC(=O)OC(C)(C)C)cc2)CC1 1625193616 ZXUZTTWYAGXAEK-YADHBBJMSA-N 458.603 3.055 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)COc3ccc(C)cc3)CC2)cc1 1862272881 HPIHIDCKXNXFEP-MHZLTWQESA-N 487.600 3.459 10 10 JGCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864013920 IZJMCFDEKJPKPF-NRFANRHFSA-N 478.549 3.157 10 10 JGCE CN(Cc1ccccc1)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1ccc(O)c(O)c1 1865031996 SSIJTXUJCSKGTB-INIZCTEOSA-N 474.439 3.203 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCOC(C)C)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873165265 FKNXNPCDJPUJSB-UHFFFAOYSA-N 464.610 3.283 10 10 JGCE Cc1ccc2nc(N3CCOCC3)c(C=C3SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 2040394711 HFLNLBLYOCLRPH-UHFFFAOYSA-N 470.620 3.373 10 10 JGCE O=C1C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 2053542076 UZMSHGBGCHVFDL-NBLIUIFLSA-N 461.908 3.172 10 10 JGCE COc1ccc([C@H](C(C)C)n2nc(C3CC3)c(C(N)=O)c2I)c(O)c1 2080001735 MZKHFXHYHKUDCH-INIZCTEOSA-N 455.296 3.424 10 10 JGCE C[C@H](NC(=O)CCCCCN1C(=O)C(=Cc2cc(Cl)ccc2O)SC1=S)C(=O)O 2314837222 PRTRIRJVVPHEIS-NSHDSACASA-N 456.973 3.397 10 10 JGCE COc1ccc(N2CCN([C@H](CNC(=O)[C@H]3COc4ccccc4O3)c3ccco3)CC2)cc1 106210065 DZOPICMMZPASOH-PXDATVDWSA-N 463.534 3.108 10 10 JGCE CC(C)C[C@@H](C(=O)O)N1C(=O)C[C@@H](N2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)C1=O 229680836 WVLJUXXGVUCSBV-PQISIBHESA-N 458.561 3.071 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)C3(c4ccc5c(c4)OCCO5)CCCC3)CC2)cc1 742919649 BMMLTKZFJFERHN-UHFFFAOYSA-N 465.594 3.217 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cn(Cc4ccccn4)c(=O)c4ccccc34)CC2)cc1 1860289821 QPNKOVMECSCKGA-UHFFFAOYSA-N 454.530 3.416 10 10 JGCE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864010772 WJRMMOSGXDFPJE-HXUWFJFHSA-N 484.915 3.417 10 10 JGCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864020041 UVVVGFUNHVSPLI-OAQYLSRUSA-N 460.534 3.187 10 10 JGCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2 1865026126 GFQWQURINQBWBZ-MBSDFSHPSA-N 490.560 3.050 10 10 JGCE CS(=O)(=O)CC[C@@H](C(=O)Nc1ccc(Oc2ccc(N)cc2)cc1)N1C(=O)c2ccccc2C1=O 1865987920 CNCBGHSGWMMVMB-QFIPXVFZSA-N 493.541 3.099 10 10 JGCE CCCC[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868607941 DSXWHFVSHJVEDV-RUZDIDTESA-N 492.620 3.459 10 10 JGCE COc1ccc([C@@H](C(=O)N[C@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)C(C)C)cc1 1868849180 UNLQKDAVVYBBSG-DVECYGJZSA-N 453.583 3.297 10 10 JGCE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)c2cc3c(cc2N)NC(=O)CC3)C1 2106806905 BUZXOLHGDPQBTC-UHFFFAOYSA-N 452.555 3.142 10 10 JGCE COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccncc4)c3C)C(=O)NC2=S)c(OC)c1 2294244384 BKMYLLYLROZSPT-UHFFFAOYSA-N 462.531 3.338 10 10 JGCE CCCC1=NN2C(=N)C(=Cc3ccc(OCc4cc(=O)n5nc(C)sc5n4)cc3)C(=O)N=C2S1 2297350796 WPGXTRDUTNTJRW-UHFFFAOYSA-N 493.574 3.458 10 10 JGCE COc1ccc(N2N=C(c3ccccc3)C(=C(C)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 2313683129 SFODUFHTWAZLBX-UHFFFAOYSA-N 462.531 3.480 10 10 JGCE Cc1c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(N2CCCCC2)n(C)c(=O)c1C#N 33811865 RPSXOOIZMRPPPA-AQTBWJFISA-N 488.635 3.402 10 10 JGCE COc1ccc(C2=NN(C(=O)/C=C3\SC(=O)NC3=O)[C@@H](c3ccc(N(C)C)cc3)C2)cc1 72413266 AZYPBEQUSWESEJ-PQDCBLBRSA-N 450.520 3.306 10 10 JGCE O=C(CN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Nc1ccc2oc(=O)ccc2c1 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O=C(O)CCCCCNC(=O)CN1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2314827493 GEFWFOKUKQERHA-UHFFFAOYSA-N 471.398 3.412 10 10 JGCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC 13640994 METWDKNBUYDMBJ-RNHFSVANSA-N 499.633 3.475 10 10 JGCE COc1ccc(CCN2C(=O)N=C(O)/C(=C\NCC3(CC(=O)O)CCCCC3)C2=O)cc1OC 20621603 XVNFXMVXLIZGIS-SAPNQHFASA-N 473.526 3.064 10 10 JGCE COc1ccc(N2CCN(c3nnc(C(=O)NCCN4CCCCC4)c4ccccc34)CC2)cc1 34838513 CLUBTNVJHHBNHA-UHFFFAOYSA-N 474.609 3.181 10 10 JGCE O=C(CN1C(=O)/C(=C/C=C\c2ccccc2)SC1=S)Nc1cc(C(=O)O)cc(C(=O)O)c1 210493283 YGPYDWZQFVZAMK-XWSNBJDESA-N 468.512 3.479 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)CC[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc2)CC1 1154271322 OGTDRVVFASQALQ-NRFANRHFSA-N 458.603 3.009 10 10 JGCE COc1ccc(N2CCN(c3cc(C(=O)NCCc4c[nH]c5ccccc45)ncn3)CC2)cc1 1858248590 JPZASBKRVAAWFZ-UHFFFAOYSA-N 456.550 3.266 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cc(N4CCN(c5cccc(C)c5C)CC4)ncn3)CC2)cc1 1858251940 LEQJXKYPMYOEAD-UHFFFAOYSA-N 486.620 3.391 10 10 JGCE CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(N)cc2)sc(C(=O)OCCOC)c1C 1860083225 IISYNXFSVNCCLF-ZDUSSCGKSA-N 450.513 3.025 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)Cc3ccccc3F)CC2)cc1 1862249900 HOBFLXLWZAMXSD-AREMUKBSSA-N 475.564 3.453 10 10 JGCE COC(=O)c1c(NC(=O)c2cnc3nc[nH]n3c2=O)sc(C)c1-c1ccc(Br)cc1 1866073049 YTCGCCNUSXQZOE-UHFFFAOYSA-N 488.323 3.256 10 10 JGCE CCCCn1c(C(=O)N(CC)CCO)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873554749 WDXHOBWXFKBAJF-UHFFFAOYSA-N 480.613 3.021 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2200950724 BLSUBRSZCNLARU-BBWFWOEESA-N 479.574 3.096 10 10 JGCE CC(C)CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)N=C2S1 2297346426 AMSNGDZAWSKIFQ-UHFFFAOYSA-N 486.531 3.292 10 10 JGCE COC(=O)Cn1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c2cc(Br)ccc21 2313624376 RCWXGIDKCCXFBS-UHFFFAOYSA-N 488.338 3.371 10 10 JGCE O=C(CSc1nnc(-c2ccccc2)c(=O)[nH]1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 32520896 HHRYJXOSBWDRBV-UHFFFAOYSA-N 468.494 3.338 10 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METWDKNBUYDMBJ-RLSLOFABSA-N 499.633 3.475 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)c3c(C)oc4ncnc(N5CCCCC5)c34)CC2)cc1 15727541 ZGNGHCZOGDGSDQ-UHFFFAOYSA-N 478.597 3.082 10 10 JGCE CCN1CCN(c2c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(C)c(C#N)c(=O)n2CC)CC1 33479037 VFBGHNVGDIUKPQ-DEDYPNTBSA-N 497.646 3.185 10 10 JGCE CCN(CC)c1ccc(CN(C[C@H](O)COc2ccc(C(C)=O)cc2)[C@H]2CCS(=O)(=O)C2)cc1 256038205 MJRPSWSHQQCSLX-DQEYMECFSA-N 488.650 3.164 10 10 JGCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccc(F)cc1)[C@H]2c1ccc(O)c(O)c1 1864023126 URBNSFRKILDNRW-INIZCTEOSA-N 492.429 3.483 10 10 JGCE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865033165 UBSZTCWUOLQPCL-OAQYLSRUSA-N 478.549 3.418 10 10 JGCE CCCC[C@H](NC(=O)Cc1ccc2c(c1)OCCO2)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868609957 PIAJYOJPJHXOCO-QHCPKHFHSA-N 481.593 3.033 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCCO)cn3Cc3ccccc3C)CC2)cc1 1870358970 NPDXKGZXVOOOPP-UHFFFAOYSA-N 477.605 3.297 10 10 JGCE Cc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c2C)cc1 2297469232 JROIETWFUCPGNC-UHFFFAOYSA-N 490.589 3.271 10 10 JGCE O=C(O)CCOc1cccc(C=C2SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)c1 2314926643 OIKWULGIZJGDAO-KRWDZBQOSA-N 457.529 3.437 10 10 JGCE COCCN1C(=O)/C(=C\c2c(NCCc3ccccc3)nc3ccccn3c2=O)SC1=S 6581283 SDBDVUZYLMJXIL-OBGWFSINSA-N 466.588 3.197 10 10 JGCE CCn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCc4ccc(N(C)C)cc4)C3)ccc21 21938166 IVHKCHVROBTRIT-NRFANRHFSA-N 468.623 3.444 10 10 JGCE O=C1Nc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc2S[C@H]1C(=O)N1CCCCCC1 65021881 NVCAIRFYRDAUEH-HXUWFJFHSA-N 489.575 3.032 10 10 JGCE COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(C/C=C\c1ccc(N(C)C)cc1)CC2 97340859 WFCDXTRVVRREEB-VURMDHGXSA-N 491.636 3.496 10 10 JGCE Cc1cc(C(=O)NCCCN2CCCS2(=O)=O)c(C)n1-c1ccc(Br)cc1 725761845 WQRNPEVOCVQVST-UHFFFAOYSA-N 454.390 3.012 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)[C@H](C)Oc3ccc(F)cc3Br)CC2)cc1 742919388 HMAYLDBUJIALJN-INIZCTEOSA-N 480.378 3.303 10 10 JGCE 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475.548 3.372 10 10 JGCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O 14468621 PFIVCFVWHYGMQR-WOVHNISZSA-N 497.617 3.383 10 10 JGCE Cc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1ccccc1Cl 20208082 CIKWSYKHWSDQCD-LHTBISBZSA-N 461.956 3.369 10 10 JGCE O=C(Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1)c1ccc(/N=N/c2ccccc2)cc1 32603193 SKDAAVGEPSKCBJ-XQBCEPEJSA-N 459.466 3.135 10 10 JGCE CCCCN1C(=O)/C(=C\c2c(N3CCN(CC)CC3)nc3c(C)cccn3c2=O)SC1=S 34259506 MFFALAJNMVCWTJ-OBGWFSINSA-N 471.652 3.146 10 10 JGCE COc1ccc(N2CCN([C@H](CNS(=O)(=O)Cc3ccccc3)c3ccco3)CC2)cc1 38598276 VUCZOCIPQYCLHJ-HSZRJFAPSA-N 455.580 3.271 10 10 JGCE COC(CNC(=O)c1cccc(NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1)OC 586704701 QNKNVNNALXKPSL-UHFFFAOYSA-N 473.485 3.455 10 10 JGCE C[C@H](SCC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1nc2ccccc2[nH]1 917832554 ANUVHDSXBDSRDA-WMZOPIPTSA-N 451.596 3.375 10 10 JGCE CC(=O)N1CCN([C@H]2CN(c3nnc(C(C)(C)C)n3CCCSc3nccs3)C[C@@H]2C)CC1 1541000952 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COCCCNC(=O)c1c(NS(=O)(=O)c2ccc(OC)cc2OC)sc2c1CCCC2 1871343515 PWWJRSHXOHSNIR-UHFFFAOYSA-N 468.597 3.211 10 10 JGCE CCS(=O)(=O)c1ccc(O)c(N=c2nc(N3CCC[C@H](C)C3)[nH]c(N3CCC[C@H](C)C3)n2)c1 1871737144 VIFATQKAHSJLOR-IRXDYDNUSA-N 474.631 3.009 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCN(C)C)C(=O)N(CCCOC(C)C)C2=O)cc1 1873165821 SYDZSSXKOHGVDL-UHFFFAOYSA-N 452.599 3.140 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cn4c5c(c(F)c(F)cc5c3=O)OC[C@H]4C)CC2)cc1 1891060575 DMEXPVDSSDKOIH-CQSZACIVSA-N 455.461 3.204 10 10 JGCE CCN(CC)c1ccc(C=C2C(=O)NC(=O)N(c3ccc(N(CC)CCO)cc3)C2=O)cc1 2296940792 PPEGGFBYCXHYDI-UHFFFAOYSA-N 450.539 3.018 10 10 JGCE O=C(Cn1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)c2ccccc21)NCc1ccco1 2297552084 XUFYCNINEYQZPM-UHFFFAOYSA-N 484.537 3.382 10 10 JGCE C=CCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCCC)c2N2CCN(CC)CC2)SC1=S 33812663 NVHIKDQNSBWCHY-HKWRFOASSA-N 485.679 3.358 10 10 JGCE CC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@](Cc2ccccc2)(C(=O)O)N[C@H]3c2ccccc2O)cc1 248377302 GFNLJWRRMKPJTI-IMBSWCNGSA-N 484.508 3.111 10 10 JGCE CC(=O)N1CCN(c2cccc(NC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c2)CC1 1676416127 PYNBMFWWGDIKHR-IBGZPJMESA-N 451.571 3.074 10 10 JGCE CC(=O)N1CCN(c2nnc(CCOc3ccccc3)n2CCCSc2nccs2)CC1 1690858532 WGYWMCFYOIBQLQ-UHFFFAOYSA-N 472.640 3.207 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3ccc4nc(CC(C)C)[nH]c4c3)CC2)cc1 1862108404 UTPAZXRIYUHKDT-SFHVURJKSA-N 463.582 3.237 10 10 JGCE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864019075 VKSBLFNYPKXWNI-HXUWFJFHSA-N 464.497 3.017 10 10 JGCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc[nH]1 1865609844 FKENQSGKPRFGSV-JOCHJYFZSA-N 490.608 3.236 10 10 JGCE CCc1ccc(Nc2nc(=NCCCN(C)C)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871585806 RFENUNRZTLXLIH-UHFFFAOYSA-N 490.656 3.298 10 10 JGCE O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 2269595313 JDZDGLWGASRWIT-QFIPXVFZSA-N 490.512 3.139 10 10 JGCE COc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCC(=O)O 2297334943 YJPCBXKFZPSKMO-UHFFFAOYSA-N 481.313 3.297 10 10 JGCE CCOc1ccccc1-n1c(C)cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c1C 2297345458 YDMWUKWPBXMYMV-UHFFFAOYSA-N 471.564 3.114 10 10 JGCE COc1cc(C=C2C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)ccc1OCc1cccc(C)c1 2297352593 DKVJOZCMTWOWKD-UHFFFAOYSA-N 491.573 3.491 10 10 JGCE CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(=Cc3ccc(O)cc3O)SC2=S)cc1 2314827909 PBHFZSLVXNWZJP-UHFFFAOYSA-N 458.517 3.114 10 10 JGCE O=C(O)CCN1C(=O)C(=C2C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)SC1=S 2326944718 DJSCYGDHMGXTDR-UHFFFAOYSA-N 469.500 3.188 10 10 JGCE CCn1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2cc(OC)c(OC)cc2c1=O 4763087 LGKADJIELBTNEP-UHFFFAOYSA-N 451.523 3.010 10 10 JGCE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3F)C2=O)ccc1OCC(=O)O 16915822 NWFPNFMLSKEKBT-LICLKQGHSA-N 476.507 3.234 10 10 JGCE CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=O)N=C2S1 20207824 SFYVGVHPGXLORA-KBVRANJKSA-N 479.337 3.330 10 10 JGCE COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)ccc1OCC(=O)O 210453012 CEIKWSPDHBUDHT-YVLHZVERSA-N 458.517 3.013 10 10 JGCE C[C@@H]1CCC[C@@H](NC(=O)Cn2c(=O)/c(=C/c3ccc(N(C)C)cc3)s/c2=C\C(=O)C(C)(C)C)[C@@H]1C 229886902 XTUCJUIMBLKLHX-URBXWEQMSA-N 497.705 3.141 10 10 JGCE CC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2CCCSc2nccs2)CC1 1596228540 UFNDEYVVOPIFNB-UHFFFAOYSA-N 460.604 3.315 10 10 JGCE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCc2ccco2)=C(N)O3)cc1 1864021830 HFCBUQVUWSBXDO-FQEVSTJZSA-N 488.500 3.111 10 10 JGCE CN(C)c1ccc([C@H](NC(=O)c2c[nH]c3c(F)c(F)c(F)cc3c2=O)c2nccn2C)cc1 1866432127 GIUYPKCIHSXTLS-IBGZPJMESA-N 455.440 3.264 10 10 JGCE COc1cc(N)c(N2CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC2)cc1OC 2044763568 ZIAKJAYCRDTIJK-UHFFFAOYSA-N 452.552 3.495 10 10 JGCE Cc1cccc(C)c1-n1c(C)cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c1C 2297345387 RQMPTDYOVXRBDO-UHFFFAOYSA-N 455.565 3.332 10 10 JGCE CCOCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(CCCOCC)C1=O 2314413706 FLGOOANYTPCYEG-UHFFFAOYSA-N 490.651 3.469 10 10 JGCE CCCN1N=C(c2ccc(OC)cc2)C(=Cc2ccc(OCCN3CCOCC3)c(OC)c2)C1=O 2332106587 JOWVKWQHNKMLED-UHFFFAOYSA-N 479.577 3.455 10 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JCWSHQBRNLXIRA-WCJKSRRJSA-N 490.560 3.176 10 10 JGCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3cccc([N+](=O)[O-])c3)n4C)CC2)cc1 1873650817 XJYFGKNYUBIAGF-UHFFFAOYSA-N 487.520 3.464 10 10 JGCE CCN1C(=O)C(=Cc2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 2053511154 HDEOGWDCSDCESU-UHFFFAOYSA-N 491.642 3.238 10 10 JGCE COc1ccc(N2C(=O)C(=Cc3cn(CC(=O)N4CCCC4)c4ccccc34)C(=O)NC2=S)cc1 2294956845 OLEVGXPEWWDRJY-UHFFFAOYSA-N 488.569 3.104 10 10 JGCE COC(=O)c1ccc(-c2ccc(C=C3SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)o2)cc1 2296729401 HBVNUBMFAUSHFA-CQSZACIVSA-N 463.558 3.122 10 10 JGCE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1=O)C(=O)O 2314933035 RKYVVGOITUACPN-OAHLLOKOSA-N 487.515 3.383 10 10 JGCE CC1(C)COCCC[C@H]2CN(Cc3ccc(O)c(O)c3)CC[C@H]2CC(=O)N(CC2CC2)C[C@@H]1O 1534604523 TZUWTIXABVWUPO-HWBMXIPRSA-N 474.642 3.362 10 10 JGCE CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccc(N(C)C)c(F)c3)C[C@@H]2C)CC1 1749839087 JFLMSPWCEVHBDI-CYFREDJKSA-N 499.679 3.208 10 10 JGCE COc1ccc(CCN2C(=O)c3ccc(C(=O)Nc4cccc(C(=O)O)c4C(=O)O)cc3C2=O)cc1 1859473775 VYXJPZWRYDMFIM-UHFFFAOYSA-N 488.452 3.183 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)[C@H](C)Oc3ccc(Cl)cc3)CC2)cc1 1862220529 WRWUDTBVDJFXTI-MBSDFSHPSA-N 471.985 3.456 10 10 JGCE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2CCC[C@H](C)C2)=C(N)O3)cc1 1865033586 DEGRHUUORXGVNW-BTYIYWSLSA-N 490.560 3.460 10 10 JGCE CCC[C@@H](NC(=O)C[C@H]1CC(=O)c2ccccc21)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869034256 XFAADTJXXPHEQO-NTKDMRAZSA-N 463.578 3.389 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)Cc3ccc(C)o3)CC2)cc1 1869040530 VCFJDBKSPHXYGI-VWLOTQADSA-N 461.562 3.215 10 10 JGCE C[C@H](O)Cn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871027381 UIYLLEMOWQPXKD-INIZCTEOSA-N 478.578 3.428 10 10 JGCE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)c4cnc(C)cn4)c3)CC2)cc1 1874732723 ISUCHTZQVDHCEI-UHFFFAOYSA-N 460.534 3.408 10 10 JGCE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 2269964637 FAUFQZYNUMMTCD-MRXNPFEDSA-N 464.607 3.274 10 10 JGCE COCCCN1C(=O)C(=Cc2c(NCc3ccco3)nc3ccc(C)cn3c2=O)SC1=S 2296711338 OIRRHIGCUFNCCD-UHFFFAOYSA-N 470.576 3.446 10 10 JGCE CCOc1cc(/C=C2\C(=N)N3N=C(c4cccs4)SC3=NC2=O)ccc1OS(C)(=O)=O 6245042 NWFQSSDAAQAUJO-GPBTZJJPSA-N 476.561 3.153 10 10 JGCE COC(=O)c1ccccc1N(C)c1ncnc(N2CCN(c3ccc(OC)cc3)CC2)c1[N+](=O)[O-] 40611277 RFJGHPKZRPWUAS-UHFFFAOYSA-N 478.509 3.275 10 10 JGCE COc1ccc(C2=NN(C3=NC(=O)[C@H](CC(=O)O)S3)[C@H](c3ccc(N(C)C)cc3)C2)cc1 72413239 CBISAAGOMJFMKM-PMACEKPBSA-N 452.536 3.385 10 10 JGCE CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/NC(=O)Nc1ccc(C(=O)O)c(O)c1 109238572 QZYLEFPEXMBACC-OQLLNIDSSA-N 459.256 3.281 10 10 JGCE COc1ccc(N2CCN(CCNc3cnn(-c4ccc([N+](=O)[O-])cc4)c(=O)c3Cl)CC2)cc1 726593266 HQESQQCBQFSGRD-UHFFFAOYSA-N 484.944 3.037 10 10 JGCE COc1c(Br)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1[N+](=O)[O-] 1084070705 DSHNNIAILKAWQP-POHAHGRESA-N 480.271 3.336 10 10 JGCE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 1537679123 FXTPMIDEOPNRIO-UZUQRXQVSA-N 457.596 3.376 10 10 JGCE Cc1cc(=NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)[nH]n1C 1860344961 KLSXBANRBFBZDN-UHFFFAOYSA-N 452.518 3.067 10 10 JGCE CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CNCc1cccc(OCC)c1O 1860718386 PCBOBLAZLAANBO-UHFFFAOYSA-N 473.570 3.153 10 10 JGCE COc1cccc([C@@H](C)CC(=O)N[C@@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 1867110521 JAKFOXRXJIMJBH-HJPURHCSSA-N 486.524 3.080 10 10 JGCE CCCCOc1cn(CCCN(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870664342 YPFLLLTXIOIDRG-UHFFFAOYSA-N 456.631 3.310 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCc4ccncc4)[nH]c(=Nc4cccc(C)c4)[nH]3)CC2)cc1 1871650102 KSIOZLWTGUCQKF-UHFFFAOYSA-N 482.592 3.110 10 10 JGCE COCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2Cc1ccco1 1875232761 XQISXJVHEOPGAY-UHFFFAOYSA-N 490.564 3.102 10 10 JGCE Cc1cc(C=C2NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 2294046429 MFYMVNMMMZHOKK-UHFFFAOYSA-N 470.938 3.492 10 10 JGCE O=C1Nc2ccc(Br)cc2C1=C1SC(=S)N(NC(=O)c2ccccc2)C1=O 2296677372 XEMWSHZOHYPKRM-UHFFFAOYSA-N 460.334 3.318 10 10 JGCE CC(C)(C)OC(=O)N[C@H]1Cc2ccccc2N(C(=O)C2=C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C2)C1 2357911580 YTLXPVSESIJAMB-NSHGMRRFSA-N 473.570 3.053 10 10 JGCE COCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(Cc2ccco2)C1=O 102900117 MPYGNNPTRJPURN-MHWRWJLKSA-N 456.549 3.056 10 10 JGCE COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)NCCCC(=O)O)C2=O)ccc1O 210753901 VFAFCCUEYJWJNU-GHRIWEEISA-N 466.581 3.143 10 10 JGCE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2 1864008202 FNDZSWQIBUHCMF-VFNWGFHPSA-N 496.951 3.235 10 10 JGCE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864012343 XZOMTKAEJYSBQJ-QFIPXVFZSA-N 490.491 3.394 10 10 JGCE CC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866872015 XKZKAEFMBMTYCC-VGOFRKELSA-N 495.535 3.348 10 10 JGCE CCC[C@H](NC(=O)[C@@H](c1cccnc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867274300 GCWSAJQOANISAT-LADGPHEKSA-N 484.556 3.383 10 10 JGCE Nc1ccc(CS(=O)(=O)NCCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1 1960148283 VXZFIYLEVKRYKZ-UHFFFAOYSA-N 451.548 3.227 10 10 JGCE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 2123369755 PDHQQWQJTDCXLN-QRQCRPRQSA-N 490.512 3.137 10 10 JGCE CN(CC(C)(C)NC(=O)OC(C)(C)C)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200967909 BMOQRHNPXWTOSJ-INIZCTEOSA-N 481.590 3.295 10 10 JGCE O=C(O)CN1C(=O)C(=Cc2cn(CC(=O)Nc3ccc4c(c3)OCO4)c3ccccc23)SC1=S 2293869320 HNGJYKDTTPGYCN-UHFFFAOYSA-N 495.538 3.295 10 10 JGCE Cc1ccc(N2C(=O)NC(=O)C(=CNc3cccc4c3C(=O)[C@@H]3C=CC=C[C@@H]3C4=O)C2=O)cc1 2297511142 AZMOJJDYAQZQGS-DLBZAZTESA-N 453.454 3.311 10 10 JGCE C[C@H](C(=O)NCC(=O)O)N1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 15047739 LIJNTRWVWYOGEF-JVVDOCDTSA-N 456.545 3.056 10 10 JGCE COCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccc(OC)cc2)C1=O 33745175 RKZRMJFYOXLCSX-XDJHFCHBSA-N 496.614 3.205 10 10 JGCE CC(=O)N[C@H]1CCOc2ccc(-c3csc(NS(=O)(=O)c4ccc5[nH]c(=O)oc5c4)n3)cc21 170549521 BVWNMKVCMUPXMF-HNNXBMFYSA-N 486.531 3.005 10 10 JGCE CC(C)(C)c1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 210678567 BFPSSXMQIOIURR-LDADJPATSA-N 489.644 3.471 10 10 JGCE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCc2ccc(N(C)C)cc2C)cc1 1435117229 BQJPOZCEEWVQHL-QHCPKHFHSA-N 457.596 3.123 10 10 JGCE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCOCC2)cc1 1705710523 NKLHJDGVAHPTLV-UHFFFAOYSA-N 461.570 3.213 10 10 JGCE C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)/C(=C/C=C\c2ccccc2)SC1=S 1772759413 LFFHLUYRTPSOOW-SLHQOVNMSA-N 473.601 3.119 10 10 JGCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2 1864007542 PEUWGIVTHHMKFT-UTKZUKDTSA-N 496.951 3.235 10 10 JGCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864013975 KGFPQKQGDWPERP-OAQYLSRUSA-N 477.565 3.309 10 10 JGCE CCc1nn(C)c2c1[C@@H](c1sccc1C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865342285 SLKRJIOZKDIQFZ-OAQYLSRUSA-N 493.633 3.404 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(F)c4)cn3CCCO)CC2)cc1 1870615398 IDNOKDJHBRQNPK-UHFFFAOYSA-N 481.568 3.280 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCc4ccncc4)[nH]c(=Nc4cc(C)ccc4C)[nH]3)CC2)cc1 1871671694 CGRLHYSPRIACEP-UHFFFAOYSA-N 496.619 3.418 10 10 JGCE O=C(Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21)NC1CCCC1 2313624153 NYFSATFZBNSWEO-UHFFFAOYSA-N 470.529 3.362 10 10 JGCE C[C@H]1CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(C3CCCC3)C2=O)C[C@@H](C)O1 2314400518 OJQSCXWYECBZSW-GASCZTMLSA-N 470.620 3.452 10 10 JGCE CCOc1ccc(C=C2SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1OC 2323840730 PKPMGVJEMLRMOB-UHFFFAOYSA-N 478.617 3.185 10 10 JGCE CCC[C@@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328578007 KQDWCNWBPMZRMZ-HSZRJFAPSA-N 466.538 3.250 10 10 JGCE CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4ccccc4Cl)cc3)C(=O)N=C2S1 20207940 ADLXDFSYRXDRNO-GPYXVNPCSA-N 488.934 3.180 10 10 JGCE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3cc(F)ccc3OC)c3ccco3)CC2)cc1 38619287 HMSSSRCZGDUGEM-OAQYLSRUSA-N 489.569 3.278 10 10 JGCE CCCOC(=O)CCN1C(=O)/C(=C2/C(=O)N(C)c3ccc(Br)cc32)SC1=S 40938208 YFGIYHCDNFHNLL-PFONDFGASA-N 469.382 3.340 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3N(C(=O)OC(C)(C)C)CCC3(C)C)cc2)CC1 1625199150 QFCQAWGAVRVYJT-NRFANRHFSA-N 458.603 3.007 10 10 JGCE CCCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861919574 ALLUGYBVMLCJJS-QFIPXVFZSA-N 454.527 3.241 10 10 JGCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864007081 FRSLIZSUNPJSAE-QFIPXVFZSA-N 478.549 3.218 10 10 JGCE C[C@@H]1CCCC[C@@H]1NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1ccc(O)c(O)c1 1864015050 IQRIIEANXDZRMI-IFUGULHKSA-N 466.460 3.240 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873167567 MPZVJJRZYDAQBF-HSZRJFAPSA-N 464.610 3.284 10 10 JGCE CCN(CC)CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCNC(C)=O)C1=O 1873167612 PKRGRWNFJZNRPZ-UHFFFAOYSA-N 493.652 3.022 10 10 JGCE O=C(Nc1cccc(N2CCOCC2)c1)c1ccc2c(c1)C(=O)N([C@@H](Cc1ccccc1)C(=O)O)C2=O 1873744675 PATIMPNYELVEAS-DEOSSOPVSA-N 499.523 3.067 10 10 JGCE Cc1c(N2C(=O)C(=C3C(=O)N(C)c4ccccc43)SC2=S)c(=O)n(-c2ccccc2)n1C 2296700224 NBSUOWOHLAZQSJ-UHFFFAOYSA-N 462.556 3.237 10 10 JGCE COc1cc(NC(=S)NC(=O)c2ccc(Br)cc2)c(N2CCOCC2)cc1OC 20496578 APUCTLBEEXOIHN-UHFFFAOYSA-N 480.384 3.430 10 10 JGCE Cc1ccccc1OCCCOc1ccc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1 96459929 WRGNZRGOYMDQMH-ZBXKHPAOSA-N 498.586 3.464 10 10 JGCE O=C(NN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S)c1cc(O)nc2ccccc12 229735691 DGHAXIOTUFXFHU-SXGWCWSVSA-N 452.473 3.395 10 10 JGCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3ccc(OC)c([N+](=O)[O-])c3)C2=O)c1 1083919555 SSKCBNIGYPTLAA-GDNBJRDFSA-N 455.423 3.067 10 10 JGCE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1705657805 RQWGGQWXZHZWDE-UHFFFAOYSA-N 454.575 3.124 10 10 JGCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1859466076 DOPUUIHCBMYWIT-UHFFFAOYSA-N 457.442 3.459 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(OC(C)=O)cc3)NC(=O)C(C)(C)C)CC2)cc1 1862309140 DPYRXQWDRCTDAU-XMMPIXPASA-N 481.593 3.043 10 10 JGCE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864016909 ACSOSOLSUJJNQL-OAQYLSRUSA-N 478.549 3.082 10 10 JGCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC[C@@H](C)C1)[C@@H]2c1ccc(O)c(O)c1 1865034267 SICOXKUNFWDTPJ-IAQYHMDHSA-N 466.460 3.286 10 10 JGCE CC(C)C[C@@H](C(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C)N1C(=O)c2ccccc2C1=O 1865897522 MVUVJMRTJMBRGL-GOTSBHOMSA-N 473.577 3.403 10 10 JGCE CCN(CCc1ccncc1)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(CCOC)n1 1867952387 DOVACVNOIVTKOV-UHFFFAOYSA-N 476.625 3.465 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)CCc3csc(-c4ccncc4)n3)CC2)cc1 1868907502 JNEXBVKHLIUSAQ-UHFFFAOYSA-N 493.633 3.390 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCOC(C)C)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873165374 LUWGZRQJRKKVAW-JOCHJYFZSA-N 451.567 3.368 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@H]3CCCO3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873166047 ABHRZHDNBOROOY-HSZRJFAPSA-N 462.594 3.037 10 10 JGCE COc1cc(C=C2SC(NC(C)=O)=NC2=O)c(Br)c(Br)c1OC(C)=O 2294956828 KYSXWHNZVOZNBP-UHFFFAOYSA-N 492.145 3.252 10 10 JGCE COc1ccc(N2C(=O)C[C@@H](N3C(=O)/C(=C/c4ccc(OC)c(OC)c4)SC3=S)C2=O)cc1 15051278 OFBGLPYTSOPDCC-VXIUPONVSA-N 484.555 3.246 10 10 JGCE CCOCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCC[C@H](C)C2)SC1=S 33812082 APAXPRDYLDBBEL-CCRNYGKSSA-N 474.652 3.430 10 10 JGCE COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3OC)C2=O)ccc1OCCC(=O)O 210446674 OORMXIXFVBEKLI-PDGQHHTCSA-N 488.543 3.104 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CCCCN3Cc3ccc(F)cc3)cc2)CC1 1556199293 HGAPKMCVMOPZKC-RUZDIDTESA-N 452.574 3.165 10 10 JGCE CC(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(N(C)C)c(F)c2)CC1 1741064818 SFPIQEAVGFZTIZ-DENIHFKCSA-N 472.609 3.119 10 10 JGCE CCCC[C@H](NC(=O)c1cc(-c2ccco2)n(C)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869040977 ZZWSIAGTVNDTBL-NRFANRHFSA-N 479.581 3.326 10 10 JGCE CCOc1ccc(C(=O)N=c2nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]n2C(C)(C)C)cc1 1869970774 PSOMZFILKXDIML-UHFFFAOYSA-N 478.597 3.441 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccn3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873163878 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FIQAQMUECDCIEV-UHFFFAOYSA-N 465.598 3.180 10 10 JGCE CC(=O)NCCN1C(=O)C(Nc2ccc3c(c2)OCO3)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422381 UKRFBJFXWKSRAS-UHFFFAOYSA-N 486.528 3.151 10 10 JGCE Cc1cc(=O)oc2cc(O[C@@H]3O[C@@H]4CO[C@H](c5ccccc5)O[C@@H]4[C@@H](O)[C@H]3N=[N+]=[N-])ccc12 255989045 MYWUUBHOPGUEKN-LANYJBNVSA-N 451.435 3.359 10 10 JGCE in-vitro C[C@H]1CN(c2ccc(CNC(=O)NCc3ccc(OCCN(C)C)cc3)cc2F)C[C@H](C)O1 918204983 DVEWXDYKVBLZBV-OALUTQOASA-N 458.578 3.379 10 10 JGCE CC(=O)N1CC[C@H](CN(C)c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCC(CO)CC3)cc2)C1 1508193112 IBKNLXOLTBAXAF-XMMPIXPASA-N 496.700 3.428 10 10 JGCE CC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(N(C)C)cc2C)CC1 1722782389 BZAMSBONAFDWQO-UHFFFAOYSA-N 453.978 3.085 10 10 JGCE CCc1nc2ccc(C(=O)N[C@H](CCSC)C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2[nH]1 1861892030 XTJJTROKGRVSCO-JOCHJYFZSA-N 495.649 3.334 10 10 JGCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864012466 AEBDLHKMAARHDA-NRFANRHFSA-N 462.550 3.227 10 10 JGCE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864013270 URIBNANPBTXRKS-NRFANRHFSA-N 487.516 3.235 10 10 JGCE C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867348040 HSZXMTRJMKKNNQ-JPYJTQIMSA-N 467.570 3.123 10 10 JGCE CC1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)CC1 2053493180 ANMXAIKGHWJNJF-MRXNPFEDSA-N 470.620 3.311 10 10 JGCE COc1cccc(C=C2SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)c1OC 2296882894 CCMPMJFAVXVNCO-UHFFFAOYSA-N 450.563 3.107 10 10 JGCE COc1ccc(C=C2SC(=S)N(CC(=O)Nc3ccccc3[N+](=O)[O-])C2=O)cc1OC 2296885130 DZXPSOZYRKENRN-UHFFFAOYSA-N 459.505 3.452 10 10 JGCE COc1ccc(OCCN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 2326944962 VXINKJPDABUTDH-UHFFFAOYSA-N 484.555 3.167 10 10 JGCE Cc1cccc(C)c1OCCOc1ccc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1 96459739 ZGCWPBNKKJZRNB-HORDIMCOSA-N 498.586 3.383 10 10 JGCE CCN(CC)c1ccc(CN2C[C@@H](NCc3ccc(F)c(F)c3)C[C@H]2C(=O)NCCOC)cc1 299800385 WJSQYOXQORBAQN-OFVILXPXSA-N 474.596 3.306 10 10 JGCE CC(=O)c1cc(F)cc(CN(CC(C)C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)c1O 1459696229 XQDTXEXMXLCEJC-UHFFFAOYSA-N 454.502 3.289 10 10 JGCE CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)[C@H]2C1 1632441597 JHDMWHGVVAZPSP-USNOLKROSA-N 450.530 3.203 10 10 JGCE CC(C)(NC(=O)c1cc(-c2cccnc2)[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867158888 WJQNCSZLLDINPG-UHFFFAOYSA-N 479.496 3.394 10 10 JGCE C[C@H](NC(=O)c1ccc(N(C)C)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867880983 KPKMMSFPUDNZGW-NBGIEHNGSA-N 465.642 3.280 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)Cc3ccc(C)o3)CC2)cc1 1869040529 VCFJDBKSPHXYGI-RUZDIDTESA-N 461.562 3.215 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873168672 FMTHUQOGTQMJHQ-UHFFFAOYSA-N 474.609 3.071 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCN3CCOCC3)C(=O)N(Cc3cccs3)C2=O)cc1 1873170146 PDCLNJNYUSBURZ-UHFFFAOYSA-N 490.629 3.358 10 10 JGCE N=C1C(=Cc2ccc(OC(=O)c3ccc(Cl)cc3)cc2)C(=O)N=C2SC(N3CCOCC3)=NN12 2297352592 DIFXFJGTFNYZFZ-UHFFFAOYSA-N 495.948 3.468 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)c3ccc(Cl)cc3Cl)CC2)cc1 11796502 JLJLGPWCELWUSH-UHFFFAOYSA-N 486.421 3.274 10 10 JGCE CCN(CC)c1ccc(CN(C(=O)c2ccccc2OC(C)=O)[C@H]2CCS(=O)(=O)C2)cc1 54430613 MOWBXYFHRJFLFB-NRFANRHFSA-N 458.580 3.288 10 10 JGCE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2C(=O)O)o1 100148023 MFAUPOYGLDVFKL-XDHOZWIPSA-N 451.460 3.098 10 10 JGCE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3cc(C)ccc3O)cc2)cc1 1633282826 OAXINKMUSWFNGH-UHFFFAOYSA-N 452.532 3.312 10 10 JGCE COc1cccc(C(=O)N[C@H](C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867379925 XUAIAQLIVPLSLT-DVECYGJZSA-N 452.599 3.223 10 10 JGCE COc1cc(C=C2SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OS(C)(=O)=O 2297350584 PTEJILJJQJUXFJ-UHFFFAOYSA-N 466.518 3.348 10 10 JGCE O=C(O)CNC(=O)CCCCCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314831538 NAKIAEYEKXLWKR-UHFFFAOYSA-N 471.398 3.412 10 10 JGCE CC[C@H](C)N1C(=O)/C(=C/c2c(N3C[C@H](C)O[C@H](C)C3)nc3ccccn3c2=O)SC1=S 33459458 LRKLJLTYHJXQEF-IBWHUZOZSA-N 458.609 3.308 10 10 JGCE O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1cccc(N3CCOCC3)c1)c2[N+](=O)[O-] 727996883 XVZPSHSVXNDKMA-UHFFFAOYSA-N 457.442 3.459 10 10 JGCE CC(=O)N(C)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(N(C)C)cc2C)CC1 1301634627 IAWSDBVKTBRCID-MHZLTWQESA-N 498.672 3.189 10 10 JGCE O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCn2c3c(c4ccccc42)CCC[C@H]31 1858183475 DGCLQAOCDFMKNP-HSZRJFAPSA-N 465.575 3.196 10 10 JGCE CC[C@](C)(NC(=O)/C=C/c1ccc(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861935892 UWUTXQJOMCQFIJ-FZTGKGDASA-N 481.593 3.359 10 10 JGCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCCc1ccc(Cl)cc1)[C@H]2c1ccc(O)c(O)c1 1864010264 QWWMQUPQAAEQKC-FQEVSTJZSA-N 468.941 3.330 10 10 JGCE CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]1CO 2178862750 CJKBUQYGFJVLGA-UZLBHIALSA-N 476.618 3.274 10 10 JGCE CC(C)(C)OC(=O)NC1(C(=O)NCCc2ccc(O)c(O)c2)CCN(Cc2ccccc2)CC1 2180736197 APMHBWGZIFZIOF-UHFFFAOYSA-N 469.582 3.316 10 10 JGCE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2CCN(C(=O)OC(C)(C)C)Cc3ccccc32)=C[C@@H]1O 2201009368 XBENUOZHZOGHJC-ICSRJNTNSA-N 473.570 3.355 10 10 JGCE CSCC[C@H](C(=O)O)N1C(=O)C(=C2C(=O)Nc3ccc(Br)cc32)SC1=S 2295924277 NRNVVHFJHOAZGF-SNVBAGLBSA-N 473.395 3.179 10 10 JGCE CCOc1cc(/C=C2/SC(=S)N(NC(=O)C3CCCCC3)C2=O)ccc1OCC(=O)O 16916089 MGWVBBYIFLAQAD-GZTJUZNOSA-N 464.565 3.361 10 10 JGCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccccc4Cl)C3=O)c(NCCO)nc12 33795850 LJPZHDHDEQUFSL-GZTJUZNOSA-N 487.006 3.462 10 10 JGCE O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CCCN1S(=O)(=O)c1cccs1 726566727 BNWHEGLZONEFGH-GOSISDBHSA-N 485.578 3.288 10 10 JGCE CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3C[C@H]3c3cc4c(cc3OCC)C[C@H](C)O4)nc12 730650910 HXCQMGIXCMVHSB-QANKJYHBSA-N 481.505 3.181 10 10 JGCE CCCCn1c(N)c(N(CC)C(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)c(O)nc1=O 1087353381 IHQWSCCKHHBBPV-BUHFOSPRSA-N 450.543 3.200 10 10 JGCE C[C@H]1[C@H](C)CCC[C@H]1NC(=O)Cn1c(=O)/c(=C\c2ccc(N(C)C)cc2)s/c1=C/C(=O)C(C)(C)C 1615171283 XTUCJUIMBLKLHX-CWTKCEFXSA-N 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Cc1cc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)O)c4ccccc34)C2=O)ccc1Br 2294093770 NPQKLNZXFAOXCB-UHFFFAOYSA-N 482.290 3.463 10 10 JGCE COc1ccc(N2CCN(C(=O)Cc3c(C)nc(SCc4ccc(F)cc4)[nH]c3=O)CC2)cc1 38897874 HCJQFMWHUBZKBW-UHFFFAOYSA-N 482.581 3.410 10 10 JGCE CCOC(=O)CCN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCCCC3)cc2)SC1=S 206843122 DTKQCAWJNMEZDK-JXAWBTAJSA-N 462.593 3.232 10 10 JGCE Cc1cc(OC[C@H](O)CN(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)ccc1Cl 256037445 DEALAVJASUPACH-LEWJYISDSA-N 467.031 3.143 10 10 JGCE COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(Br)o3)C2=O)cc1 1084271740 NBAWJIWGGARPHA-WDZFZDKYSA-N 470.073 3.480 10 10 JGCE CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)C)n3Cc3ccc(N(C)C)c(F)c3)C[C@@H]2C)CC1 1596144541 QIFWNNRAJOTNHM-CPJSRVTESA-N 499.679 3.109 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)CSCC(=O)c3ccc(Cl)cc3)cc2)CC1 1625192328 ADCNVBDVHJFJPG-UHFFFAOYSA-N 459.999 3.241 10 10 JGCE Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)cc1C 1858955225 MJRGYCPOFNGFLW-UHFFFAOYSA-N 453.520 3.293 10 10 JGCE 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CC(=O)c1ccc(OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c([N+](=O)[O-])c1 1559391520 GRDRNMCFPCEPBF-HUUCEWRRSA-N 459.474 3.245 10 10 JGCE O=C1c2ccccc2C(=O)c2c(NC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cccc21 1858623729 DRTISCNRGFUCQR-UHFFFAOYSA-N 493.516 3.140 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3ccc4nc(C)c(C)nc4c3)CC2)cc1 1862078495 DKBDHCGVOGWSJQ-UHFFFAOYSA-N 461.566 3.112 10 10 JGCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cc(C)ccc1C)=C(N)O2 1864009986 HNPYDMCRANFGSN-NRFANRHFSA-N 462.550 3.412 10 10 JGCE CN(C)c1ccc([C@@H](CNC(=O)CCCN2C(=O)Cc3ccccc3C2=O)N2CCCCC2)cc1 1866216498 CFMDIJWHMHKZPE-RUZDIDTESA-N 476.621 3.401 10 10 JGCE O=C(C[C@H]1NC(=O)N(c2cc(F)c(F)c(F)c2)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874016168 BSWUAKCQXAUOAM-GOSISDBHSA-N 493.397 3.333 10 10 JGCE C[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]1NC(=O)C(F)(F)F 2106844163 PLYRSKCSGBFFFN-DYVFJYSZSA-N 456.509 3.455 10 10 JGCE Cc1c(NC=C2C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)c(=O)n(-c2ccccc2)n1C 2296400169 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CCN1C(=O)/C(=C\C=C2\N(CC)c3ccc(S(=O)(=O)N(C)C)cc3N2CC)SC1=S 33247550 YOZRKINEHFHQNG-HMQSQOOHSA-N 466.654 3.209 10 10 JGCE Cc1ccc(N2C(=O)C[C@@H](N3C(=O)/C(=C\c4cccc([N+](=O)[O-])c4)SC3=S)C2=O)cc1 35269712 ANUFPEQPXORHSO-FCNRDGCESA-N 453.501 3.437 10 10 JGCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3ccc(C)c(C(F)(F)F)c3)cc2)CC1 1189193068 XGIJDFNZVZWZFM-UHFFFAOYSA-N 455.502 3.161 10 10 JGCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cn3)CC2)cc1 1858437041 LHHVDGQGZFTIJQ-UHFFFAOYSA-N 469.523 3.126 10 10 JGCE COc1ccc(N2CCN(C(=O)CSc3nc(O)cc(-c4ccc(F)cc4)n3)CC2)cc1 1858512908 LXDSEZQYTKITTO-UHFFFAOYSA-N 454.527 3.438 10 10 JGCE CCOC(=O)c1c(NC(=O)C(=O)NCCCO)sc(C)c1-c1ccc(Br)cc1 1860757957 CWZNOWYRGPDHRR-UHFFFAOYSA-N 469.357 3.100 10 10 JGCE COc1ccc(N2CCN(C(=O)CNC(=O)c3ccc4nc(-c5ccccc5O)[nH]c4c3)CC2)cc1 1861892393 OCFAQMCHNBDSNY-UHFFFAOYSA-N 485.544 3.023 10 10 JGCE CCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864019920 RMPNXPUVDVSFQC-JOCHJYFZSA-N 492.576 3.142 10 10 JGCE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CCC)[C@H]1c1ccc(O)c(O)c1 1864022181 VJIPGHPUKBRNKQ-HXUWFJFHSA-N 472.586 3.284 10 10 JGCE COCCN=c1nc(Nc2ccc(Cl)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871519350 QLXGHXOMNYGNLZ-UHFFFAOYSA-N 469.977 3.084 10 10 JGCE O=C(N[C@@H]1COCC[C@H]1NCc1cc(Br)cc(F)c1O)OCc1ccccc1 2031532240 JFZQZHFNXXMHLH-QZTJIDSGSA-N 453.308 3.467 10 10 JGCE O=C(OCc1ccccc1)N1CCOC[C@H](NCc2cc(Br)cc(F)c2O)C1 2034725804 MQIKRVORGGEYPU-QGZVFWFLSA-N 453.308 3.421 10 10 JGCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1OC 2296052871 JHYDBYHOPJKCAC-UHFFFAOYSA-N 475.504 3.167 10 10 JGCE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4ccccc4Cl)n(C)n3)CC2)cc1 2331398754 IKOCDULSVBFYHM-UHFFFAOYSA-N 452.946 3.456 10 10 JGCE CCOCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCC[C@@H](C)C2)SC1=S 39989552 APAXPRDYLDBBEL-VUFYJBQKSA-N 474.652 3.430 10 10 JGCE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccc(C)s3)c3ccco3)CC2)cc1 49486553 SEKRLZRJPYBQTB-HXUWFJFHSA-N 461.609 3.500 10 10 JGCE Cc1cccc(NC(=O)CN2C(=O)/C(=C3/SC(N)=NC3=O)c3cc(Br)ccc32)c1 54201907 HOYRIRBLSZFURI-WUKNDPDISA-N 471.336 3.042 10 10 JGCE CCOc1ccc(-n2nc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(O)cc2=O)cc1 1859616703 ZVMQZPFCPSRXMQ-UHFFFAOYSA-N 481.464 3.365 10 10 JGCE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864014975 HJZSPRVZPAYIQU-QGZVFWFLSA-N 488.466 3.294 10 10 JGCE CC(C)(C)OC(=O)NC[C@@]1(O)CCCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2163116527 RJQUWPYRZISRMZ-VWLOTQADSA-N 476.618 3.418 10 10 JGCE COc1ccc(C=C2SC(=S)N(CCCC(=O)N[C@H](CO)Cc3ccccc3)C2=O)cc1 2296885257 LPKOVSBZYMACCU-IBGZPJMESA-N 470.616 3.396 10 10 JGCE Cc1ccc(N2C(=O)NC(=O)C(=CNc3cccc4c3C(=O)[C@H]3C=CC=C[C@H]3C4=O)C2=O)cc1 2297511145 AZMOJJDYAQZQGS-SJORKVTESA-N 453.454 3.311 10 10 JGCE COc1ccc(N2CCN([C@H](CNC(=O)C(=O)Nc3ccc(C)cc3)c3ccco3)CC2)cc1 38619571 AQEHGHPKRONNMP-HSZRJFAPSA-N 462.550 3.215 10 10 JGCE CCCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 39990293 UQRHRSGTSVUBGP-PDGQHHTCSA-N 460.625 3.275 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)NCCc4ccccc4)c4ccccn34)CC2)cc1 1858224428 WEEYHSJTORONAS-UHFFFAOYSA-N 483.572 3.278 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3cc4ccccc4[nH]3)CC2)cc1 1862074895 LWORWFAHKJJSCE-JOCHJYFZSA-N 450.564 3.040 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)CCCOc3ccccc3)CC2)cc1 1862221647 QHJTZLBVOJLZSC-XMMPIXPASA-N 451.567 3.194 10 10 JGCE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864017156 HARDQMDZODKNKW-JOCHJYFZSA-N 492.576 3.390 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCc4ccco4)[nH]c(=Nc4ccccc4C)[nH]3)CC2)cc1 1871482769 BHFFQGCMMSRHNV-UHFFFAOYSA-N 471.565 3.308 10 10 JGCE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3C[C@@H](C)O[C@H](C)C3)ncnc21 1873548396 UAWRNMFYOZNGKL-WOJBJXKFSA-N 492.624 3.426 10 10 JGCE COc1ccc(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1[N+](=O)[O-] 2297329734 DJEYXXNWDBWDAR-UHFFFAOYSA-N 462.281 3.197 10 10 JGCE COc1cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc(Br)c1OCC(=O)O 33291087 VCYWFTGEWRBPIM-VIZOYTHASA-N 489.278 3.425 10 10 JGCE O=C(O)Cc1csc(NC(=O)CN2C(=O)/C(=C\c3ccccc3OC(F)F)SC2=S)n1 210496682 GDWWRAIXJYZFAZ-LFYBBSHMSA-N 485.515 3.212 10 10 JGCE O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CCN(S(=O)(=O)c2ccccc2)CC1 726564746 SNTZSHWQAPEVNE-UHFFFAOYSA-N 493.576 3.474 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)C3=Cc4cc(Br)ccc4OC3)CC2)cc1 742919691 CQXKMUXYWOUDOK-UHFFFAOYSA-N 472.383 3.172 10 10 JGCE O=C1c2ccccc2C(=O)c2cc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)ccc21 754543079 AGNMCVNTNDHEEQ-SFHVURJKSA-N 459.414 3.207 10 10 JGCE CCOCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1864023101 ULASHNUYCVMEHB-MRXNPFEDSA-N 498.502 3.207 10 10 JGCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865026767 ADHJQLIMHBWKKL-JOCHJYFZSA-N 476.533 3.308 10 10 JGCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1C[C@H](C)O[C@@H](C)C1)[C@@H]2c1ccc(O)c(O)c1 1865032114 VZAQGCPJJPAVCQ-CKJXQJPGSA-N 490.560 3.312 10 10 JGCE CCOC(=O)c1c(NC(=O)[C@@H](N)CC(=O)O)sc(C)c1-c1ccc(Br)cc1 1865999363 LQUVLLVFPPRSDI-LBPRGKRZSA-N 455.330 3.403 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCc4cccnc4)[nH]c(=Nc4cc(C)ccc4C)[nH]3)CC2)cc1 1871669552 AJIGCEGILBWTMJ-UHFFFAOYSA-N 496.619 3.418 10 10 JGCE Cc1nn2c(=O)cc(CSCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)nc2s1 1874016639 HWAQERZMYHBQJL-UHFFFAOYSA-N 476.539 3.107 10 10 JGCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OC 2294095324 PTEBQHUEKPGISI-UHFFFAOYSA-N 496.232 3.114 10 10 JGCE COc1cc([N+](=O)[O-])ccc1NC=C1C(=O)N(CCc2ccccc2)C(=O)N(C(C)C)C1=O 2297454751 ISLISTDXOUPLOY-UHFFFAOYSA-N 452.467 3.341 10 10 JGCE O=C(O)COc1cccc(C=C2SC(=S)N(NC(=O)c3ccccc3Br)C2=O)c1 2314930263 ACKYVYFLDLYVFA-UHFFFAOYSA-N 493.360 3.459 10 10 JGCE Cc1ccc(CNC(=O)[C@@](C)(NC(=O)C(F)(F)F)C(F)(F)F)c(O)c1Br 2380740256 TULHIQBBASAWCZ-GFCCVEGCSA-N 451.161 3.079 10 10 JGCE Cc1cccc(N2C(=O)N=C(O)/C(=C\c3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)c1 1185202 DASOCWOEUKODAM-KGENOOAVSA-N 472.501 3.315 10 10 JGCE COc1ccc(N2CCN([C@H](CNC(=O)C(=O)Nc3ccc(F)cc3)c3ccco3)CC2)cc1 38619587 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1871556645 TZPABTOQJNDTGL-UHFFFAOYSA-N 496.619 3.364 10 10 JGCE COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NCCCCCC(=O)O)C2=O)cc1 15040441 YXAPCESKRWYDPX-VKAVYKQESA-N 450.582 3.438 10 10 JGCE Cc1cccc(OCCCOc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c1 20207805 FQPRCAZVDFLGQO-IJFTXDGJSA-N 498.586 3.464 10 10 JGCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4ccc(C)cc4)cc3)C(=O)N=C2S1 20208485 BFJMJDWVCVGWJJ-UPLGOKCCSA-N 482.543 3.226 10 10 JGCE CCCOc1ccc(CN2C(=O)N=C(O)/C(=C/c3ccc(OCC(=O)O)cc3)C2=O)cc1OC 33378992 RBDXUOSTWQFYIJ-WQRHYEAKSA-N 468.462 3.450 10 10 JGCE CCCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCC(=O)O)C1=O 33481352 GLCQMRYLFNIWLI-QINSGFPZSA-N 460.581 3.281 10 10 JGCE O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C1/SC(=S)N(NC(=O)c2cccc(Cl)c2)C1=O 40940132 ZAKYXAOOBMDOAI-YPKPFQOOSA-N 460.880 3.117 10 10 JGCE COc1ccc(N2CCN(c3nccc4ccc(C(=O)NCCN5CCCC5)cc34)CC2)cc1 65002090 MWXLRCNTCFTHDN-UHFFFAOYSA-N 459.594 3.396 10 10 JGCE CCOC(=O)c1ccnc(NC(=O)CCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 1858762464 PFFOZJDQGPAYMB-UHFFFAOYSA-N 471.469 3.391 10 10 JGCE COc1ccc(N2CCN(c3nc(NC(=O)C(F)(F)F)n(-c4ccc(C)cc4)n3)CC2)cc1 1869970720 WAJBWLXBYUNZJR-UHFFFAOYSA-N 460.460 3.412 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nonc3OCC(=O)Nc3cccc(Cl)c3C)CC2)cc1 1872671971 BHIWOZPKSSONJH-UHFFFAOYSA-N 485.928 3.020 10 10 JGCE CC(C)(C)OC(=O)NCC1(NC(=O)Cc2ccc(N)cc2)CCN(Cc2ccccc2)CC1 2130842779 CFLZXBUYJNABHI-UHFFFAOYSA-N 452.599 3.487 10 10 JGCE CCCCC1=NN2C(=N)C(=Cc3ccc(OS(C)(=O)=O)c(OCC)c3)C(=O)N=C2S1 2297344664 AMMHOWQQOIDOSZ-UHFFFAOYSA-N 450.542 3.233 10 10 JGCE COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 59447439 XGPRCTFXHDJBPN-QNGOZBTKSA-N 492.509 3.438 10 10 JGCE CC(=O)c1ccc(N2CCN(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)CC2)c(F)c1 1313068671 YJNKDQGIICCWKE-UHFFFAOYSA-N 454.546 3.021 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)cc2)CC1 1616253084 ZXUZTTWYAGXAEK-FCHUYYIVSA-N 458.603 3.055 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)NCc4ccc(F)cc4)n4ccccc34)CC2)cc1 1858224036 MNDODBFVMZVTML-UHFFFAOYSA-N 487.535 3.374 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)/C=C/c3ccc(Br)cc3)CC2)cc1 1861949152 LCQUZRLMMIPUAO-UPKKBRNCSA-N 472.383 3.324 10 10 JGCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCc1ccc(Cl)cc1)[C@H]2c1ccc(O)c(O)c1 1864010068 OSCPWJQAZHYQDT-IBGZPJMESA-N 454.914 3.287 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)[C@@H](Cc3ccncc3)c3ccccc3)CC2)cc1 1868667683 LODSALHUEWQKGT-RLWLMLJZSA-N 472.589 3.270 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCc4ccco4)[nH]c(=Nc4cccc(C)c4)[nH]3)CC2)cc1 1871650097 KMWZMBXWVZNJQJ-UHFFFAOYSA-N 471.565 3.308 10 10 JGCE COCCN1C(=O)C(NCc2nc3ccccc3[nH]2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168601 BJOUUDRCEGBUGB-UHFFFAOYSA-N 469.545 3.487 10 10 JGCE CCCCn1c(C(=O)NCCCCCO)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873581223 CKHUGQUTOXYODX-UHFFFAOYSA-N 494.640 3.459 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cc4c(NCCCN(C)C)ncnc4n3CC(C)C)CC2)cc1 1875210287 RZJKMIGUKZZMNI-UHFFFAOYSA-N 493.656 3.422 10 10 JGCE COC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)o2)cc1 2294093858 XQGIRIPJSJRQKF-UHFFFAOYSA-N 460.398 3.128 10 10 JGCE COc1ccccc1/C=C1/SC(=S)N(CCC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O 2938202 AWQHCLIYASQDAH-LICLKQGHSA-N 458.517 3.329 10 10 JGCE COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)NC(=O)CO4)c(C)s2)c(OC)c1 11857672 YPSDBDKMBBJUEO-UHFFFAOYSA-N 461.521 3.267 10 10 JGCE O=C(CN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S)Nc1nccs1 15037064 CDZTXZFJMLBJOV-WDZFZDKYSA-N 456.368 3.451 10 10 JGCE CCOc1cc(/C=C2\SC(=S)N(CCCCCC(=O)NCCC(=O)O)C2=O)ccc1O 15044689 DBOLWNMZDJTBRK-LGMDPLHJSA-N 466.581 3.143 10 10 JGCE COc1ccc(N2CCN(c3ncnc(N4CCN(c5cccc(C)c5C)CC4)c3N)CC2)cc1 54537306 JUHKOPCKNWLJGE-UHFFFAOYSA-N 473.625 3.337 10 10 JGCE COc1ccc(N2CCN(CN3C(=O)N[C@](C)(c4ccccc4Br)C3=O)CC2)cc1 915795614 DIPYKESQMKILHY-JOCHJYFZSA-N 473.371 3.004 10 10 JGCE COc1ccc(OC)c(S(=O)(=O)NC(=S)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 1858608700 YGQUPQVSAQBXNM-UHFFFAOYSA-N 482.539 3.155 10 10 JGCE O=C(O)CCN1C(=O)/C(=C2/C(=O)N(Cc3ccc([N+](=O)[O-])c(F)c3)c3ccccc32)SC1=S 1860827059 PZLMHZMPGWIQQU-ZCXUNETKSA-N 487.490 3.327 10 10 JGCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCc1ccc(OC)cc1)[C@H]2c1ccc(O)c(O)c1 1864009136 AJJYZWYKGMFWMP-NRFANRHFSA-N 464.522 3.032 10 10 JGCE CCS(=O)(=O)c1ccc(O)c(NC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)c1 1874008917 YZVFPSIFRKNJCQ-UHFFFAOYSA-N 474.494 3.466 10 10 JGCE CN(C(=O)C1=C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(CNC(=O)OC(C)(C)C)cc1 2136295464 ZONHNHJNBOMGHC-RTBURBONSA-N 461.559 3.258 10 10 JGCE O=C1Nc2ccc([N+](=O)[O-])cc2C1=C1SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O 2314765250 YSYFBNJMVUISGX-UHFFFAOYSA-N 460.880 3.117 10 10 JGCE CCCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O 33812623 CGFUWZMUKQLKMH-MOSHPQCFSA-N 497.646 3.185 10 10 JGCE CN1CCN(C(=O)Nc2ccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)CC1 586663309 ZRFMCOYTYAESRB-UHFFFAOYSA-N 468.513 3.494 10 10 JGCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864007998 ZKBDDMLGXQNYHQ-NRFANRHFSA-N 458.474 3.196 10 10 JGCE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865029300 KCUJSUIPNHFQJC-DEOSSOPVSA-N 498.539 3.299 10 10 JGCE CCOC(=O)COc1cn(CCC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870696520 GPGONCBKUCNQIS-UHFFFAOYSA-N 471.598 3.167 10 10 JGCE CCCCCN1C(=O)C(=Cc2c(N3CCC(C(N)=O)CC3)nc3c(C)cccn3c2=O)SC1=S 2040498151 DGJVGSFKAHVSDD-UHFFFAOYSA-N 499.662 3.096 10 10 JGCE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200959914 ZCYYKGPJVDBMET-QMMLZNLJSA-N 469.582 3.170 10 10 JGCE CC[C@@H](CO)Nc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCc2ccccc2)C1=O 2296720905 UEZHNAFEJAVGJM-KRWDZBQOSA-N 480.615 3.321 10 10 JGCE O=C(CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)NCCc1ccc(O)cc1 2296885120 DNVCNRGBVXCMHS-UHFFFAOYSA-N 456.545 3.071 10 10 JGCE C[C@H]1CCCCN1C(=O)Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 2297366561 KIHMDQIEWYZRKI-KRWDZBQOSA-N 474.517 3.297 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nn(-c4ccccc4OC)c(=O)c4ccccc34)CC2)cc1 9505607 NHJBKXZOBUHXFW-UHFFFAOYSA-N 470.529 3.365 10 10 JGCE C[C@@H](C(=O)NCC(=O)O)N1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 15047737 LIJNTRWVWYOGEF-DZBQEORWSA-N 456.545 3.056 10 10 JGCE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N1CCN(CCc2ccccn2)CC1 38645424 HSRUJKSSGGKBCD-FXBPSFAMSA-N 484.622 3.199 10 10 JGCE CN(C)CCn1cc(NC(=O)CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cn1 726943090 KZDIBFSSRXDJLS-SXGWCWSVSA-N 494.440 3.047 10 10 JGCE CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OCC 1084057096 IZRDSFMKBQHLBI-SXGWCWSVSA-N 490.871 3.486 10 10 JGCE CC(=O)N1CCN(c2cccc(NC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c2)CC1 1676416128 PYNBMFWWGDIKHR-LJQANCHMSA-N 451.571 3.074 10 10 JGCE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC)=C(N)O2 1864013226 TXABYZBTQMRVQF-NRFANRHFSA-N 462.550 3.434 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)Cc3nc(-c4ccc(F)cc4)oc3C)CC2)cc1 1868644511 VOQIBQDATDPXPM-QGZVFWFLSA-N 480.540 3.194 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC=C(C)C)cn3CCc3cnc[nH]3)CC2)cc1 1870610161 STOLZOAPTDETCD-UHFFFAOYSA-N 477.609 3.490 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCN(C)C)C(=O)N(CCc3nc4ccccc4[nH]3)C2=O)cc1 1873164776 RJIDULIWRNLEOJ-UHFFFAOYSA-N 496.615 3.444 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cc(C)n(-c4ccccc4C)c3C)C(=N)N21 2297345628 NLKNVYVXYBLZOH-UHFFFAOYSA-N 455.565 3.414 10 10 JGCE C[C@@H](C(=O)NCC(=O)O)N1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S 2314836882 LIJNTRWVWYOGEF-AWEZNQCLSA-N 456.545 3.056 10 10 JGCE Cc1ccc(CN2C(=O)/C(=C3/SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c3ccccc32)cc1 1822843 YZIFITWPZASXRL-QBNCKDSPSA-N 484.624 3.300 10 10 JGCE CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C(=N)N21 96460641 QXYGXRKWQCYYMG-WKWHHHHXSA-N 486.531 3.292 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)[C@@H](C)SCC(=O)Nc3ccc(C)cc3)CC2)cc1 742926889 DXFUDODROQIKCZ-HXUWFJFHSA-N 470.639 3.002 10 10 JGCE CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCc3cc(Cl)ccc3O)cc21 1662965880 UVGQXKCGCSNCMV-UHFFFAOYSA-N 459.749 3.196 10 10 JGCE CCN1CCN(C(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)CC1 1860344986 LQALUKHEOVJVJN-UHFFFAOYSA-N 455.562 3.129 10 10 JGCE CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864008284 HLVIQGDCDOEFMQ-NRFANRHFSA-N 498.967 3.483 10 10 JGCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1 1864010661 ANDWIOUYSVMPQX-ASSNKEHSSA-N 466.513 3.399 10 10 JGCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865032890 NLSMQLDKOPOQJR-FQEVSTJZSA-N 496.951 3.053 10 10 JGCE C[C@@H](NC(=O)CCc1nc(O)c2ccccc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867261303 HFBALLZTCRWJKB-OAHLLOKOSA-N 494.507 3.187 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(C)cc4)cn3C[C@H](C)O)CC2)cc1 1870770688 VHBARBAAWSBFCB-QFIPXVFZSA-N 477.605 3.447 10 10 JGCE CN(C)c1ccc([C@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2C(=O)C=C2SC(=O)NC2=O)cc1 2293228103 HOIPYHOWNYOFAH-GOSISDBHSA-N 465.491 3.205 10 10 JGCE CCOc1ccc(N2C(=O)C(=Cc3ccc(N4CCOCC4)cc3C)C(=O)NC2=S)cc1 2294199388 ZHPKQLRGSHEFQT-UHFFFAOYSA-N 451.548 3.062 10 10 JGCE O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNN1CCCC[C@@H]1c1cccnc1 2296233725 JRPMUIJJHGRRBA-GOSISDBHSA-N 459.428 3.299 10 10 JGCE C[C@@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc5c(c4)OCCO5)n3)cc2NC1=O 11857711 GEJNWMFTSVKAPG-NSHDSACASA-N 459.505 3.102 10 10 JGCE CN1C(=O)C(=Cc2cn(CCOc3ccc4c(c3)OCO4)c3ccccc23)C(=O)N(C)C1=S 27570732 JJWFMEHFHDLDRU-UHFFFAOYSA-N 463.515 3.048 10 10 JGCE CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OC(=O)c4cccs4)cc3)C(=N)N21 96460942 YCBJCIYZUXUDNH-JVDIEWMDSA-N 488.572 3.367 10 10 JGCE COc1ccc(N2CCN(c3ccc(N4C(=O)[C@H]5[C@H]6C=C[C@@H](C6)[C@H]5C4=O)cc3[N+](=O)[O-])CC2)cc1 102785474 SUCAZVVEPOLVMW-WDIJOQRFSA-N 474.517 3.242 10 10 JGCE CCCOc1ccc(CNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1OC 918007831 AEXLMQBTCAEPGX-FQEVSTJZSA-N 454.571 3.185 10 10 JGCE CC(=O)N1CCN(c2cccc(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)c2)CC1 1476419568 CPTBWGURYXYTBF-HSZRJFAPSA-N 452.555 3.274 10 10 JGCE COc1ccc(N2CCN(C(=O)CNC(=O)c3cc(Cl)c(OC)c(Cl)c3OC)CC2)cc1 1862060045 YYKDKRORASCREI-UHFFFAOYSA-N 482.364 3.098 10 10 JGCE CCCc1ccc(OCC(=O)N2CCC[C@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862196987 GXUFQRFZYCDCRO-VWLOTQADSA-N 465.594 3.366 10 10 JGCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864009608 CAXBJQSJWOEJRE-NRFANRHFSA-N 478.549 3.002 10 10 JGCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865032891 NLSMQLDKOPOQJR-HXUWFJFHSA-N 496.951 3.053 10 10 JGCE Cc1nnc([C@H](CC(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc2)o1 1868157056 PDOKBTRNNYYQNJ-OAQYLSRUSA-N 494.507 3.430 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCCO)cn3CCc3ccc(F)cc3)CC2)cc1 1870358555 CKTVHWMYJRBASZ-UHFFFAOYSA-N 495.595 3.322 10 10 JGCE COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)SCC(=O)N2C(C)C)cc1 1891961827 DOESKLWXHWQLOV-LOSJGSFVSA-N 483.634 3.446 10 10 JGCE C[C@H]1C[C@@H](NC(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)CN1Cc1ccccc1 2200963343 LKJXJXUQHNRDFU-WMQCIHAUSA-N 469.582 3.313 10 10 JGCE COc1ccccc1Oc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCC(=O)O)C1=O 2296849518 HFVAOKNISBDXOG-UHFFFAOYSA-N 483.527 3.171 10 10 JGCE Cc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1 2297345266 HBWXKESFHQDEGY-UHFFFAOYSA-N 461.956 3.369 10 10 JGCE Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccc(N4CCOCC4)c(Br)c3)C2=O)c1 2297357989 INPWMJASPLSBJN-UHFFFAOYSA-N 485.338 3.173 10 10 JGCE CCOc1cc(/C=C2\C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)ccc1OS(C)(=O)=O 6245407 YDGDIEWCQIOYAD-GESHDMKESA-N 484.559 3.400 10 10 JGCE CC(=O)N1CC[C@H](CN(C)c2nnc(Cn3nc(C)cc3C)n2CCCSc2nccs2)C1 1286850815 REQXWLFHSWWFPI-LJQANCHMSA-N 488.687 3.083 10 10 JGCE CC(=O)N(C)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1749780962 QZSFBOFKALWLRY-UHFFFAOYSA-N 485.633 3.334 10 10 JGCE CC[C@@](C)(NC(=O)COc1ccc(C)c(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862194710 ZJKWLGIYRGFKTQ-AREMUKBSSA-N 453.583 3.325 10 10 JGCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC1CCCC1)[C@@H]2c1ccc(O)c(O)c1 1864021729 FXDNZJUXWYQZGW-OAHLLOKOSA-N 466.460 3.477 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)Cc3nc(-c4cccc(C)c4)oc3C)CC2)cc1 1868634947 WERKPSXRFXGNQG-LJQANCHMSA-N 476.577 3.363 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCOC(C)C)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873165375 LUWGZRQJRKKVAW-QFIPXVFZSA-N 451.567 3.368 10 10 JGCE CCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 39989881 JHLPZYPKVJJYPR-AQTBWJFISA-N 460.625 3.276 10 10 JGCE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@@H](C(=O)NCc4cccnc4)[C@@H]3C2)cc1 169679585 OQGIAXBFQHEMOR-RSXGOPAZSA-N 458.562 3.283 10 10 JGCE CCN(CC)c1ccc(CN(C[C@H](O)COc2ccc(C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 256038734 ROGRYDYMHZQTOL-ZEQRLZLVSA-N 460.640 3.270 10 10 JGCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1O 1084046344 FPWLUMXKELGQGT-QPEQYQDCSA-N 496.232 3.201 10 10 JGCE NC(=O)c1c(NC(=O)COc2cccnc2NC(=O)Oc2ccc(N)cc2)sc2c1CCCC2 1858686283 RUSJKDIMSBZTHA-UHFFFAOYSA-N 481.534 3.331 10 10 JGCE C[C@@H]1CCCC[C@H]1NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1ccc(O)c(O)c1 1864015051 IQRIIEANXDZRMI-IXPVHAAZSA-N 466.460 3.240 10 10 JGCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2 1865030661 OFXHWBVMCBKXKS-GCJKJVERSA-N 498.624 3.361 10 10 JGCE COC(=O)C1=S=C(NC(=O)c2ccc(-c3ccc4cnccc4c3)cc2)C(C(=O)OC)=C1C 1866180809 BITXVADBAUOIEP-UHFFFAOYSA-N 460.511 3.343 10 10 JGCE CC[C@H](NC(=O)c1nc(C2CC2)n2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868778461 LYGLLXLHRDNZOD-NRFANRHFSA-N 461.566 3.078 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3C[C@H](c3ccc(O)cc3)N(C)C)CC2)cc1 1870555826 AENFEPNRRKAWDK-AREMUKBSSA-N 492.620 3.196 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCC3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873165152 DYBSEFILFBFMKI-UHFFFAOYSA-N 462.594 3.038 10 10 JGCE CC(C)CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(Br)cc3)C(=O)N=C2S1 2297346450 GGMNPNZNRPPCHT-UHFFFAOYSA-N 455.359 3.097 10 10 JGCE O=C(O)CCOc1cccc(C=C2SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)c1 2314926644 OIKWULGIZJGDAO-QGZVFWFLSA-N 457.529 3.437 10 10 JGCE CC[C@H](C)N1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(CC)CC2)SC1=S 33478260 QEXGJBVRBLNFGU-SJPXOZHESA-N 473.668 3.190 10 10 JGCE CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nc1cc2[nH]c(=O)[nH]c2cc1[N+](=O)[O-] 101112885 MRGRIFWNIYKIMK-XYOKQWHBSA-N 457.244 3.245 10 10 JGCE Cc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@](Cc1ccc(O)cc1)(C(=O)O)N[C@H]2c1ccc(N(C)C)cc1 102505874 PBEVDKPNWAIWSR-APSVEGKFSA-N 499.567 3.283 10 10 JGCE O=C(Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)C(=O)N(Cc1ccco1)Cc1ccccc1O 731407472 XDSRVWXVOLRVOZ-OAQYLSRUSA-N 498.557 3.105 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)N[C@@H](C)c3ccc(NC(=O)C4CC4)cc3)CC2)cc1 742947561 GONHWQMSTANFDA-IBGZPJMESA-N 465.598 3.226 10 10 JGCE CC(=O)N1CC[C@H](CN(C)c2nnc([C@H]3CCCCO3)n2Cc2ccc(N(C)C)cc2C)C1 1595983767 PXGWPMRBYGTEGF-NFBKMPQASA-N 454.619 3.247 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(-c4noc(C(F)F)n4)cc3)cc2)CC1 1625199266 SYSJEYXOWNINAJ-UHFFFAOYSA-N 455.465 3.273 10 10 JGCE Cc1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 1860826784 MSTBLBKRKBQAGM-SXZOAGKDSA-N 495.582 3.415 10 10 JGCE CN(C)c1cccc(NC(=O)c2ccc(N3CCN(C(=O)c4ccncc4)CC3)c([N+](=O)[O-])c2)c1 1860922307 ZTWXOXVYVKJGDD-UHFFFAOYSA-N 474.521 3.271 10 10 JGCE Cc1cc(C(=O)NCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)ccc1[N+](=O)[O-] 1867862770 NQDWTYQPLIVOAG-QHCPKHFHSA-N 467.570 3.042 10 10 JGCE O=C(CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)Nc1ccc([N+](=O)[O-])cc1O 2296881354 CQAGDMSMJICHJX-UHFFFAOYSA-N 473.488 3.259 10 10 JGCE COC(=O)c1c(OCc2ccncc2)cc(=O)n2c1CCN(C/C=C/c1ccc(N(C)C)cc1)CC2 14993389 HZXKJBMOHNIVSJ-SNAWJCMRSA-N 488.588 3.246 10 10 JGCE CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)C)n3Cc3ccc(N(C)C)cc3C)C[C@H]2C)CC1 1359380046 DZIJNKKUJUQHQJ-GJZUVCINSA-N 495.716 3.278 10 10 JGCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2 1864013703 FOOGGBQSOMXQLV-OAQYLSRUSA-N 485.629 3.055 10 10 JGCE COc1cccc2c1C(=O)N([C@H](C)C(=O)Nc1ccc3c(c1)C(=O)c1ccccc1C3=O)C2=O 1865836372 XYOGOGYXAJYDPB-CYBMUJFWSA-N 454.438 3.094 10 10 JGCE CC[C@H](C)[C@H](C(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C)N1C(=O)c2ccccc2C1=O 1865979060 XNRNYHLUJJRVHC-PDIWNELESA-N 473.577 3.403 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCOC(C)C)cn3Cc3ccccn3)CC2)cc1 1870552559 JHZDERYOSLHOMF-UHFFFAOYSA-N 492.620 3.426 10 10 JGCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)cccc21 1874179501 HNDVYQFXGUJVQL-HNNXBMFYSA-N 468.465 3.225 10 10 JGCE CCOc1cc(C=C2SC(=S)NC2=O)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 2297331616 BSEDSVYFBBWAAM-UHFFFAOYSA-N 466.518 3.250 10 10 JGCE NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)C(=Cc3ccco3)SC2=S)cc1 2314832071 YYTIJMZEXGTEGX-UHFFFAOYSA-N 479.605 3.327 10 10 JGCE CSCC[C@@H](C(=O)O)N1C(=O)/C(=C2\C(=O)Nc3ccc(Br)cc32)SC1=S 1750295 NRNVVHFJHOAZGF-IUZMTQGWSA-N 473.395 3.179 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C(=N)N21 20206858 FENSRLUSESYYDN-JMCWYTMQSA-N 499.530 3.185 10 10 JGCE Cc1c(-c2ccnc(N3CCN(c4ccc5c(c4)OCO5)CC3)n2)nnc2nc(-c3ccccc3)nn12 72452584 GFYJKCASAYHIAU-UHFFFAOYSA-N 493.531 3.007 10 10 JGCE O=C(O)CCOc1ccc(/C=C2/SC(Nc3cc(C(=O)O)cc(C(=O)O)c3)=NC2=O)cc1 210512883 UQIPFEMJEYLQRA-FRKPEAEDSA-N 456.432 3.019 10 10 JGCE COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I 1083887365 QFPATLZKVQENGC-JYRVWZFOSA-N 466.206 3.105 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1 1616251885 LGPBHDHLTRZJLR-UHFFFAOYSA-N 458.603 3.009 10 10 JGCE CCOc1cn(CCCN(CC)CC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870364025 PMFJVRJGAXHOHV-UHFFFAOYSA-N 456.631 3.310 10 10 JGCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3c(C)nn(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3C)C2=O)cc1 2313547781 BUCKUHZVBHBDIP-UHFFFAOYSA-N 490.432 3.280 10 10 JGCE O=C(O)CCOc1ccc(C=C2SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)cc1 2314926205 DFDIWUOMFNQZOU-QGZVFWFLSA-N 457.529 3.437 10 10 JGCE CCC(=O)Oc1ccc(/C=C2\C(=O)NN(c3ccc(I)cc3)C2=O)cc1OC 33397355 ZUEHXDOEWVTWGV-XNTDXEJSSA-N 492.269 3.077 10 10 JGCE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccc(NC(C)=O)cc3)c3ccco3)CC2)cc1 38619356 AKLQEOJGRLUCJT-DEOSSOPVSA-N 498.605 3.088 10 10 JGCE CCOCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCCC2)SC1=S 39989659 GUDRTGGZJZUKPR-AQTBWJFISA-N 460.625 3.276 10 10 JGCE CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 727558676 JOMVXBRZIFORRD-UHFFFAOYSA-N 480.609 3.218 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)C3(c4cccc(Cl)c4)CCOCC3)cc2)CC1 1296400778 UBNANWRBZCACKC-UHFFFAOYSA-N 455.986 3.373 10 10 JGCE COC(=O)c1cc(NC(=O)CCNCc2cc(Cl)cc(Br)c2O)cc(C(=O)OC)c1 1860715553 LUVZTHNWOKUURE-UHFFFAOYSA-N 499.745 3.500 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)c3cccnc3)CC2)cc1 1862111244 VXLHSCDRRKMFDP-VWLOTQADSA-N 490.629 3.471 10 10 JGCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865029797 VMFHPWYIUDRION-OAQYLSRUSA-N 460.534 3.063 10 10 JGCE C[C@H](NC(=O)c1cc(-c2ccncc2)[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867159123 ZNWYIPZJIUXMOP-AWEZNQCLSA-N 465.469 3.004 10 10 JGCE CN1CCc2cc([C@@H](CN)N3CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC3)ccc21 2194839789 VCNSZRVVTJYNIL-OAQYLSRUSA-N 475.634 3.384 10 10 JGCE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1O[C@H](C)C(=O)O 2294265205 NCUORUYWMBAJAU-OAHLLOKOSA-N 468.531 3.385 10 10 JGCE CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNCCN1CCN(C(=O)c2ccccc2)CC1 2294311838 WSWDBELIDNEEJC-UHFFFAOYSA-N 490.564 3.029 10 10 JGCE CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OC(=O)c4ccc(Cl)cc4)cc3)C(=N)N21 2297345283 IKDIJFKNRGMJHQ-UHFFFAOYSA-N 488.934 3.180 10 10 JGCE CCOc1cc(C=C2C(=N)N3N=C(c4cccs4)SC3=NC2=O)ccc1OS(C)(=O)=O 2297361627 NWFQSSDAAQAUJO-UHFFFAOYSA-N 476.561 3.153 10 10 JGCE COc1ccccc1NC(=O)COc1ccc(C=C2SC(=S)N(CC(=O)O)C2=O)cc1OC 2297366493 QPCRRHHPCXHNPK-UHFFFAOYSA-N 488.543 3.007 10 10 JGCE CCOc1cc(C=C2SC(=S)N(CCC(=O)NCCCCCC(=O)O)C2=O)ccc1O 2314827722 LCVXHCSIKXZFJV-UHFFFAOYSA-N 466.581 3.143 10 10 JGCE Cc1cccc(/C=C2/SC(=S)N(CC(=O)Nc3cc(C(=O)O)cc(C(=O)O)c3)C2=O)c1 210485417 XZCCDJJYSXLHES-OMCISZLKSA-N 456.501 3.231 10 10 JGCE C[C@@H](OC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)C(=O)Nc1ncccn1 913360055 HEKYGZUOEXIPOA-POKNLVKOSA-N 462.578 3.090 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)C3)CC2)cc1 1858415088 TYMXRKHRVDAAAR-HXUWFJFHSA-N 485.650 3.352 10 10 JGCE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2 1864008201 FNDZSWQIBUHCMF-QVKFZJNVSA-N 496.951 3.235 10 10 JGCE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864019074 VKSBLFNYPKXWNI-FQEVSTJZSA-N 464.497 3.017 10 10 JGCE CCc1nn(C)c2c1[C@H](c1cccc(C)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865572061 QLFZPLAKPUJYGB-QHCPKHFHSA-N 487.604 3.343 10 10 JGCE COc1ccc(N2CCN(c3nc(NC(=O)C4CCC4)n(-c4ccc(OC)cc4)n3)CC2)cc1 1869970362 OJIBCNJQUXVBMV-UHFFFAOYSA-N 462.554 3.350 10 10 JGCE CCN(CC)CCCCN1C(=O)C(NCCNC(C)=O)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167010 OGKOSRZTFGJOQZ-UHFFFAOYSA-N 493.652 3.022 10 10 JGCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3ccc5n[nH]cc5c3)n4C)CC2)cc1 1873650494 MDSQCOBQXHLGMV-UHFFFAOYSA-N 482.548 3.432 10 10 JGCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)NCc3ccc(F)cc3)cc1C2=O 1873880791 OMUKBBCPBJVVPE-UHFFFAOYSA-N 475.428 3.382 10 10 JGCE COc1cc(N2CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC2)ccc1CN 2227921577 PPDCOMOPLBGWLF-UHFFFAOYSA-N 464.607 3.448 10 10 JGCE COc1ccc(N2C(=O)C(=Cc3cc(OC)c(O)cc3Br)C(=O)NC2=S)c(OC)c1 2294262197 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1865026787 RVTTZQWSYYMKJP-SZNDQCEHSA-N 461.522 3.083 10 10 JGCE O=C(CNC(=O)c1nc(C2CC2)n2ccccc12)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868141183 LYNPFBYUVZYWGM-UHFFFAOYSA-N 464.481 3.356 10 10 JGCE CCOC(=O)CSc1nc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2[nH]1 1872825199 QYIAANDJYBONJV-UHFFFAOYSA-N 454.552 3.189 10 10 JGCE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2cnc[nH]2)C1=O 1873170414 YVAGDSOMXLFTAR-UHFFFAOYSA-N 461.566 3.156 10 10 JGCE CC(C)N1C(=O)C(=Cc2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC1=S 2053496967 QWAAZARVGZELES-UHFFFAOYSA-N 454.581 3.003 10 10 JGCE Cc1ccc(O)c(Cn2nc(C(=O)NC3CC3)c(I)c2C(F)(F)F)c1 2079260602 ITXQPNGOVYSDPN-UHFFFAOYSA-N 465.213 3.461 10 10 JGCE O=C1NC(=S)N(Cc2ccccc2)C(=O)C1=CNCCC1CCN(Cc2ccccc2)CC1 2296557819 CLLLLCBRYBZGFY-UHFFFAOYSA-N 462.619 3.206 10 10 JGCE COc1cc(/C=C2\SC(=S)N(CCN3CCOCC3)C2=O)cc(Cl)c1OC(F)F 12766051 NEUNGDLXZLDREL-UVTDQMKNSA-N 464.943 3.483 10 10 JGCE COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCCC(=O)O)c(OC)c3)SC2=S)cc1 16912031 CKHYEZLAUKUZMP-LDADJPATSA-N 488.543 3.104 10 10 JGCE Cc1cccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)cc2)c1 20356605 NBPUMGCCFYEMEO-INYGCOGDSA-N 491.573 3.362 10 10 JGCE O=C(CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Nc1cccc(C(=O)O)c1 33373215 ADDVYGKGQOBLPI-RQZCQDPDSA-N 456.501 3.344 10 10 JGCE O=C(CCc1nc(-c2cccnc2)no1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 71933394 VAOLTXRXYHTHRO-UHFFFAOYSA-N 461.444 3.236 10 10 JGCE COc1cccc([C@@H]2N[C@](CC3CCCCC3)(C(=O)O)[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]23)c1O 248261025 WCDORRJIXQVENC-NUDCOPPTSA-N 458.555 3.239 10 10 JGCE COC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccccc1Cl 252671907 OOGWFYZIHAHLCZ-NRFANRHFSA-N 467.978 3.128 10 10 JGCE COC(CNC(=O)c1cccc(NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1)OC 586699061 LCOKQGNDMCUBEA-UHFFFAOYSA-N 473.485 3.455 10 10 JGCE CC[C@](C)(NC(=O)CCc1ccc(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861939239 JDFCDWCMQLIFMR-MHZLTWQESA-N 483.609 3.279 10 10 JGCE COCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864007291 JZNSCRPRVOECJH-HXUWFJFHSA-N 484.940 3.093 10 10 JGCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCc1ccc(OC)cc1)[C@@H]2c1ccc(O)c(O)c1 1864009137 AJJYZWYKGMFWMP-OAQYLSRUSA-N 464.522 3.032 10 10 JGCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2 1864014605 ZDSUVGHVXUECEL-QFIPXVFZSA-N 499.656 3.446 10 10 JGCE CSCC[C@H](NC(=O)c1ccc(Cl)nn1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867272715 PBWKELSLUZPRGC-KRWDZBQOSA-N 494.960 3.396 10 10 JGCE CC[C@@H](NC(=O)c1nc(C2CC2)n2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868778462 LYGLLXLHRDNZOD-OAQYLSRUSA-N 461.566 3.078 10 10 JGCE CCCCn1cc(OCC(=O)N[C@H](C)CC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870522106 WCGOUUWTAYWMIV-OAQYLSRUSA-N 484.641 3.273 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCc4ccc(O)cc4)[nH]c(=Nc4cccc(C)c4)[nH]3)CC2)cc1 1871651746 HBTDIDDPSAYCKZ-UHFFFAOYSA-N 497.603 3.420 10 10 JGCE C[C@@H](c1ccccc1)N1C(=O)C(=Cc2c(NCCCO)nc3ccccn3c2=O)SC1=S 2053497520 NCQDDYGWEYDIIA-HNNXBMFYSA-N 466.588 3.451 10 10 JGCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OCC(=O)OC)C2=O)cc1 2294093679 CVUNTAUMCRKCGU-UHFFFAOYSA-N 487.306 3.230 10 10 JGCE CCOC(=O)c1cccc(-c2ccc(C=C3C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)o2)c1 2297352742 RPLZJXLNLLZFRQ-UHFFFAOYSA-N 479.518 3.032 10 10 JGCE Cc1sc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)nc1-c1ccc2c(c1)N(C)C(=O)CO2 11857923 SSXDDGIEOWWWRG-UHFFFAOYSA-N 498.586 3.401 10 10 JGCE N=C1/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N=C2SC(N3CCOCC3)=NN12 20356673 AQPIQYSSTVICKT-HRGNJQJKSA-N 492.517 3.083 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)N4CCC(C)CC4)c4ccccn34)CC2)cc1 1858224062 NPBFIAKRPMKION-UHFFFAOYSA-N 461.566 3.177 10 10 JGCE Cc1noc(CCNC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)n1 1860345074 RSNMMNOIHYUJNM-UHFFFAOYSA-N 468.517 3.015 10 10 JGCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864013813 GWNGFGCXYYVBJR-LJQANCHMSA-N 468.579 3.382 10 10 JGCE CCOC(=O)c1c(NC(=O)[C@@H]2C[C@H](O)CN2)sc(C)c1-c1ccc(Br)cc1 1866042126 PXEKLOFBKCTPTC-KBPBESRZSA-N 453.358 3.324 10 10 JGCE CN(C(=O)C1=C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(CNC(=O)OC(C)(C)C)cc1 2136295462 ZONHNHJNBOMGHC-OALUTQOASA-N 461.559 3.258 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2200950974 GBFUXSRMSHPMPR-SJORKVTESA-N 479.574 3.049 10 10 JGCE CC1(NC(=O)OC(C)(C)C)CC(NC(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 2200971908 PVYXJCZFAYYMDB-LYAYERMMSA-N 479.574 3.096 10 10 JGCE CCOC(=O)CCN1C(=O)C(=C2C(=O)N(CC)c3ccc(Br)cc32)SC1=S 2314759286 AHQMURMAXKAVOZ-UHFFFAOYSA-N 469.382 3.340 10 10 JGCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)cc1)C(=O)O 2314926609 NFYXHSZNAZYAQR-MRXNPFEDSA-N 458.517 3.180 10 10 JGCE O=C(O)CCOc1ccccc1C=C1SC(=S)N(NS(=O)(=O)c2ccc(Cl)cc2)C1=O 2314931900 JAASRFFQTUVBJS-UHFFFAOYSA-N 498.991 3.288 10 10 JGCE COc1ccc2c(c1)c(C=C1SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C1=O)cn2C 2323840755 SWUGQOKSJOLHAF-UHFFFAOYSA-N 487.628 3.278 10 10 JGCE C[C@H](NC(=O)CCCCCN1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1=S)C(=O)O 15045074 PRTRIRJVVPHEIS-SAIXKJTDSA-N 456.973 3.397 10 10 JGCE Cc1ccccc1-n1c(C)cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1C 25836602 SCKCRTCFYLRLIG-UHFFFAOYSA-N 473.620 3.415 10 10 JGCE CCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCCc2ccc(OC)c(OC)c2)SC1=S 40066567 FJGSTTSFKQRFOO-NDENLUEZSA-N 498.630 3.458 10 10 JGCE C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1)C(=O)O 586626063 ZMZSKDNDGGMHMX-CYBMUJFWSA-N 457.442 3.309 10 10 JGCE C[C@@H](SCC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1nc2ccccc2[nH]1 917832553 ANUVHDSXBDSRDA-SJLPKXTDSA-N 451.596 3.375 10 10 JGCE COc1ccc(N2CCN(C(=O)CCC(=O)N3CCc4[nH]c5ccc(OC)cc5c4C3)CC2)cc1 1860366171 DCQWCEOQPFDBFJ-UHFFFAOYSA-N 476.577 3.199 10 10 JGCE COc1ccc(N2CCN(C(=O)Cc3csc(Nc4ccc(Cn5cncn5)cc4)n3)CC2)cc1 1860374696 SRSATPZRLAKSNX-UHFFFAOYSA-N 489.605 3.426 10 10 JGCE COCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1 1864009730 COSRQGYJIYXPDH-HSZRJFAPSA-N 486.528 3.202 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864017326 JTAJIUBNETVYKC-NRFANRHFSA-N 499.527 3.185 10 10 JGCE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1c[nH]c3ccccc13)=C(N)O2 1864018313 IBUBSLNEDNOWHF-QFIPXVFZSA-N 487.560 3.411 10 10 JGCE CCOC(=O)c1c(NC(=O)[C@H](N)CCCNC(=N)N)sc(C)c1-c1ccc(Br)cc1 1866115229 DNRWINRPBVFRLU-CQSZACIVSA-N 496.431 3.192 10 10 JGCE Cc1cc2nc(C(=O)N[C@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc(C3CC3)n2n1 1867169005 HHHUQHQZZGILMS-OAHLLOKOSA-N 493.523 3.448 10 10 JGCE COc1ccc(N2CCN(c3cc(N4CCN(C(=O)C5CC5)CC4)nc(C(C)(C)C)n3)CC2)cc1 1869183192 MXCBQGPIWCFXLE-UHFFFAOYSA-N 478.641 3.168 10 10 JGCE CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(C)c(Cl)c2)[nH]1 1871488017 IWWMAWFYTFVFOR-UHFFFAOYSA-N 453.978 3.188 10 10 JGCE CC[C@@H](CO)Nc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(F)cc2)C1=O 2296720874 LAQYWVLWSCVCTM-INIZCTEOSA-N 484.578 3.418 10 10 JGCE COc1cc(C=C2C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)ccc1OCC(=O)O 2297302256 ZSYIUWBELHDKHF-UHFFFAOYSA-N 454.504 3.113 10 10 JGCE 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PTMCFRTXQANBFV-UHFFFAOYSA-N 468.513 3.494 10 10 JGCE O=C(O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccccc1O 757348983 JCWIKJDZEIBIBU-JOCHJYFZSA-N 460.486 3.390 10 10 JGCE CCOC(=O)c1c(NC(=O)C(=O)N=c2[nH]nc(CC)s2)sc(C)c1-c1ccc(F)cc1 1860765096 KCSILLMSCRIJCL-UHFFFAOYSA-N 462.528 3.452 10 10 JGCE COc1ccc(N2CCN([C@@H](CNC(=O)COc3ccccc3)c3ccc4c(c3)OCO4)CC2)cc1 16953855 JIBJQNSIPMEVBB-VWLOTQADSA-N 489.572 3.482 10 10 JGCE CCOc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc(I)c1OCC 33311633 XOBZWTDLYNCEKV-GHXNOFRVSA-N 493.344 3.374 10 10 JGCE CN(C)c1ccc(CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 38648067 YYDNNMRPBURIAP-QGZVFWFLSA-N 451.932 3.144 10 10 JGCE Cc1cc(C(=O)CN2CCN(C/C=C\c3ccccc3)CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 96781173 MECLAAODDWBQHO-TWGQIWQCSA-N 492.645 3.255 10 10 JGCE Cc1c(/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(=O)oc2c3c4c(cc12)CCCN4CCC3 102726150 WZMCJSCKXYQFKG-HMAPJEAMSA-N 483.524 3.462 10 10 JGCE Cc1ccccc1/C=C1/SC(=S)N(CCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O 210722442 FXELNEDNFXGGOB-QGOAFFKASA-N 475.617 3.263 10 10 JGCE O=C(NN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S)c1cc(O)nc2ccccc12 229735661 HVXDHASVPRKLPJ-SXGWCWSVSA-N 452.473 3.395 10 10 JGCE C[C@@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)C=[N+]=[N-] 644163847 RYXAYZBFIBMXRV-CRICUBBOSA-N 498.539 3.216 10 10 JGCE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 727374698 JWOPZUWNXSKWJU-UHFFFAOYSA-N 450.583 3.103 10 10 JGCE C[C@H](SCC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1nc2ccccc2[nH]1 917832552 ANUVHDSXBDSRDA-FUHWJXTLSA-N 451.596 3.375 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3nn(-c4ccccc4)c4c3CCC4)CC2)cc1 1862071683 BMRGXQXVGLXJIL-UHFFFAOYSA-N 487.604 3.227 10 10 JGCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864007641 QWNDSCYREJAPHL-LJQANCHMSA-N 454.914 3.465 10 10 JGCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCCCN(C)C)[C@H]3c2ccc(O)c(O)c2)cc1 1864008835 SXVMDAAMRWCOFD-QHCPKHFHSA-N 491.592 3.053 10 10 JGCE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2 1864010835 PKTNABUIRWYMBY-OAQYLSRUSA-N 478.549 3.083 10 10 JGCE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CC)[C@H]1c1ccc(O)c(O)c1 1864013362 AGMMEYYPSBYQKE-HXUWFJFHSA-N 472.586 3.284 10 10 JGCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCCCCC1)[C@@H]2c1ccc(O)c(O)c1 1865034113 PKBHPORHDWBXHA-OAHLLOKOSA-N 466.460 3.430 10 10 JGCE CCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCOC 1875222574 JWQQAUAFFUYDLP-UHFFFAOYSA-N 466.586 3.261 10 10 JGCE O=C(NN1C(=O)C(=Cc2ccc(O)c(O)c2)SC1=S)c1ccccc1Br 2296879786 BVCKOCVNWRECTD-UHFFFAOYSA-N 451.323 3.407 10 10 JGCE Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccc(S(=O)(=O)NCc4ccccc4)cc3)C2=O)c1 2297512435 KIXRLKKWLXTPDP-UHFFFAOYSA-N 490.541 3.052 10 10 JGCE COc1cc(Br)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c1O 2313558877 LVLSUMTUUZVUAN-UHFFFAOYSA-N 451.273 3.134 10 10 JGCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3O)C2=O)cc1)C(=O)O 2314926743 QSUMOGGKPWALQY-MRXNPFEDSA-N 458.517 3.180 10 10 JGCE COc1cc(C=C2SC(=S)N(NC(=O)C3CCCCC3)C2=O)ccc1O[C@@H](C)C(=O)O 2314933125 TZNHPJFSHZDWAR-LBPRGKRZSA-N 464.565 3.360 10 10 JGCE CC(=O)N1CCN(C2=NC(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)S2)CC1 33424426 INCORPDZXUAKIC-STZFKDTASA-N 466.519 3.308 10 10 JGCE COc1ccc(N2CCN([C@H](CNC(=O)COc3ccccc3F)c3ccco3)CC2)cc1 56943610 IYNXJHNMERPLJZ-JOCHJYFZSA-N 453.514 3.486 10 10 JGCE CCOc1ccc(-c2[nH]c3c(c2-c2sc(C)c(C(=O)OC)c2O)c(=O)[nH]c(=O)n3C)cc1 86076788 HVUXEAJMBUOMOF-UHFFFAOYSA-N 455.492 3.150 10 10 JGCE CC(=O)N1CCN([C@@H]2CN(c3nnc(CC(C)(C)C)n3Cc3ccc(N(C)C)cc3C)C[C@@H]2C)CC1 1286887742 UFFMQKOGULCBQT-SQJMNOBHSA-N 495.716 3.278 10 10 JGCE COC(=O)c1ccc(O)c(-c2csc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)n2)c1 1858073491 AGBWQNYIXLCXRK-UHFFFAOYSA-N 473.532 3.230 10 10 JGCE COCCOC(=O)COc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858854986 UOSBIOONMZAGRW-UHFFFAOYSA-N 475.457 3.069 10 10 JGCE O=C1c2ccccc2C(=O)c2c(NC(=O)c3nn(-c4ccc(F)cc4)c(=O)cc3O)cccc21 1859616630 VGFIOMKQQVSSJJ-UHFFFAOYSA-N 455.401 3.105 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3OC)CC2)cc1 1862051791 SOTBHBOPGXCMCV-RUZDIDTESA-N 473.573 3.394 10 10 JGCE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865034753 DAYUTGNAVCYBNJ-OAQYLSRUSA-N 475.549 3.338 10 10 JGCE CCOC(=O)c1c(NC(=O)C[C@H](N)C(=O)O)sc(C)c1-c1ccc(Br)cc1 1865999374 LXQAZKGNZQZTJA-LBPRGKRZSA-N 455.330 3.403 10 10 JGCE CCCCCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870576527 FRBGALNUYQOIJY-UHFFFAOYSA-N 498.653 3.212 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCCCN(C)C)nc(Nc4ccc(Cl)cc4)[nH]3)CC2)cc1 1871523078 ADKRXHQNRDKODH-UHFFFAOYSA-N 497.047 3.389 10 10 JGCE O=C(O)CCNC(=O)CCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 15040357 XXTYXNUMVKACPV-RAXLEYEMSA-N 457.371 3.021 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)NCc3c(C)nn(-c4ccccc4)c3C)CC2)cc1 916234066 DYESLTGATUSNJK-UHFFFAOYSA-N 462.598 3.119 10 10 JGCE CN(C)c1ccc([C@@H](NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)c2nccn2C)cc1 1866109118 DFNPLZODQVJTPP-HSZRJFAPSA-N 483.528 3.395 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)OC(C)C)cn3Cc3ccco3)CC2)cc1 1870480126 SDGYUPAYUMUHBO-UHFFFAOYSA-N 495.576 3.151 10 10 JGCE CC(C)(C)OC(=O)NCCCCCNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200962334 NPBMFNUYEQMVRT-KRWDZBQOSA-N 481.590 3.345 10 10 JGCE Cc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c(C)c1 2297345830 GVKAGHLFQBMFHL-UHFFFAOYSA-N 498.586 3.383 10 10 JGCE Cc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)C1=O 2313543635 XGCPOBOUYVGIPU-UHFFFAOYSA-N 487.468 3.465 10 10 JGCE COc1ccc(CNC(=O)CSc2nccc(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 33309955 JDSCZCYXMRDHBD-UHFFFAOYSA-N 479.606 3.229 10 10 JGCE C(=C1\CCC2=C1Nc1nnnn1[C@H]2c1ccc(N2CCOCC2)cc1)\c1ccc(N2CCOCC2)cc1 96935996 AXMSHOHLXNQUBR-JUTYNXCLSA-N 497.603 3.493 10 10 JGCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(C)c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 254703116 NBGLQKDCNBLCJJ-XMMPIXPASA-N 491.613 3.181 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)Nc3cccc(N4CCCCC4=O)c3)CC2)cc1 743285660 BICVXGHAJCGTSU-UHFFFAOYSA-N 451.571 3.156 10 10 JGCE CC(=O)N1CC[C@H](CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(N(C)C)cc2C)C1 1540938273 WLKCJGCROKFCAH-AJTFRIOCSA-N 498.672 3.046 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3cc4ccccc4[nH]3)CC2)cc1 1862075055 PMMWUXNSBYXDQC-QFIPXVFZSA-N 466.607 3.377 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H](C)Oc3ccc(Cl)cc3)CC2)cc1 1862220528 WRWUDTBVDJFXTI-JPYJTQIMSA-N 471.985 3.456 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCC(C)C)[nH]c(=Nc4ccc5cc[nH]c5c4)[nH]3)CC2)cc1 1871586039 BETBUVQRNKGAIH-UHFFFAOYSA-N 472.597 3.343 10 10 JGCE COc1ccccc1C(=O)NN1C(=O)C(=Cc2ccccc2OCCC(=O)O)SC1=S 2314931288 DKWDNYALNZFWAB-UHFFFAOYSA-N 458.517 3.095 10 10 JGCE CCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc5c(c4)CCN5C(C)=O)n3)cc21 11857980 JQVVAXMFDCLFEU-UHFFFAOYSA-N 498.586 3.265 10 10 JGCE Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(/C=C3/SC(=S)N(C)C3=O)c(=O)n2c1 33339616 WCPJTBQWNUOGRI-CPNJWEJPSA-N 495.605 3.300 10 10 JGCE CCOCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCCOCC)C1=O 33780699 XWMPTAZJDUBXKJ-ICFOKQHNSA-N 476.624 3.161 10 10 JGCE CCc1c(C)sc2nc(/C(=C/c3ccc(N4CCOCC4)cc3)C(=O)N3CCOCC3)[nH]c(=O)c12 95926800 MCPMWOMHCXOWIC-PGMHBOJBSA-N 494.617 3.091 10 10 JGCE Cc1ccccc1COc1ccc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1 96459780 ASTDSSZWCOUONN-WBIXSPHCSA-N 454.533 3.195 10 10 JGCE Cc1ccccc1N1C(=O)/C(=C2\C(=O)N(CN3CCOCC3)c3ccccc32)SC1=S 108661452 KXOLKXCHVLHXJT-FMQUCBEESA-N 451.573 3.407 10 10 JGCE CN(C)c1ccc([C@@H]2N[C@](Cc3ccccc3)(C(=O)O)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]32)cc1 248079153 UWDBRZVCTXSTJT-DFIMXKNXSA-N 475.589 3.397 10 10 JGCE COc1ccc(/C=C/C(=O)N[C@@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1861936626 MYWQJOKFCBEQOK-FCHBTLIASA-N 483.634 3.304 10 10 JGCE CC[C@@H](NC(=O)c1nc(C(F)(F)F)n2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869068838 LAABOLVVEBDNID-GOSISDBHSA-N 489.498 3.219 10 10 JGCE CCCN1C(=O)C(=Cc2c(NCCCn3ccnc3)nc3c(C)cccn3c2=O)SC1=S 2040498267 GOZKDJNQBQDVAN-UHFFFAOYSA-N 468.608 3.313 10 10 JGCE COc1ccc(Br)c(CN[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)c1O 2227750833 LWUFERLKCSFZES-MSOLQXFVSA-N 465.344 3.337 10 10 JGCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1O 2294095114 JUQBIMCKNILWKA-UHFFFAOYSA-N 451.660 3.483 10 10 JGCE Cc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 2297345388 RQOFIROYABAMEF-UHFFFAOYSA-N 461.956 3.369 10 10 JGCE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)Cc2ccccc2)C1=O)C(=O)O 2314931305 DQMAPHWSJORVKC-MRXNPFEDSA-N 456.545 3.404 10 10 JGCE Cc1ccc(CN(C)C2(C(=O)O)CN(C(=O)OCc3ccccc3)C2)c(O)c1Br 2352650999 KQAHSQCGUMMYES-UHFFFAOYSA-N 463.328 3.371 10 10 JGCE CCOC(=O)c1c(C)sc(-c2c(-c3cccc(OC)c3)[nH]c3c2c(=O)[nH]c(=O)n3C)c1O 86076814 WPXKJNGAFCSMDK-UHFFFAOYSA-N 455.492 3.150 10 10 JGCE Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2C)c1 96460151 YHGYQKMTFYXUMS-QLAZQOFOSA-N 455.565 3.332 10 10 JGCE CC(C)CC[C@H](O)[C@H](N)c1cc(I)cc(I)c1O 575250382 YUSWCMFGISIRGY-NWDGAFQWSA-N 475.108 3.398 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)NC[C@@H](c3cccs3)N3CCCC3)CC2)cc1 743362623 GKAWQTULMLFASB-QFIPXVFZSA-N 457.644 3.015 10 10 JGCE O=C(COC(c1ccccc1)c1ccccc1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918333625 ADALRYYQUFGRFP-UHFFFAOYSA-N 464.587 3.344 10 10 JGCE O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 1081156849 LIFQEMWGPSQWLQ-SLHXSTLSSA-N 471.585 3.243 10 10 JGCE Cc1cc(=O)oc2c3c(cc(OCC(=O)NCCc4ccc(O)c(O)c4)c12)OC(C)(C)CC3 1860283550 XJZUGWWKISKPHB-UHFFFAOYSA-N 453.491 3.354 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)CC2)cc1 1862197919 CLXWAAJPEQJXRA-QGZVFWFLSA-N 459.974 3.360 10 10 JGCE COc1ccc([C@H](C(=O)N[C@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)C(C)C)cc1 1868849182 UNLQKDAVVYBBSG-NTKDMRAZSA-N 453.583 3.297 10 10 JGCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccccn4)n(-c4ccc(OC)cc4)n3)CC2)cc1 1869970393 PNSGDZOPQACUGI-UHFFFAOYSA-N 485.548 3.258 10 10 JGCE COc1ccc(N2CCN(c3nc(NC(=O)COc4ccccc4)n(C(C)(C)C)n3)CC2)cc1 1869970476 KJBYXMWQPZMKAE-UHFFFAOYSA-N 464.570 3.386 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCN3CCOCC3)C(=O)N(CCc3ccccc3)C2=O)cc1 1873170279 TUXITMGICSCSNA-UHFFFAOYSA-N 498.627 3.339 10 10 JGCE CC(=O)NCCN1C(=O)C(Nc2ccc(N(C)C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422122 HNNHSRQJNCJEJB-UHFFFAOYSA-N 485.588 3.488 10 10 JGCE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(CC(=O)O)C2=O)cc1 2296848718 YAYYHHFUEJOBKX-UHFFFAOYSA-N 453.501 3.081 10 10 JGCE COc1ccc(N2CCN(C(=O)C3CCN(CC(=O)Nc4ccc(C)cc4)CC3)CC2)cc1 9068935 FZGICIPAMUUPBI-UHFFFAOYSA-N 450.583 3.003 10 10 JGCE CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)[C@H](C)O4)cs2)cc1 11857875 WZWOLPKUZOXTNT-LBPRGKRZSA-N 472.548 3.313 10 10 JGCE N=C1/C(=C\c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)C(=O)N=C2SC(N3CCOCC3)=NN12 20356664 DIFXFJGTFNYZFZ-RKTZKFLQSA-N 495.948 3.468 10 10 JGCE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1705566677 QFRCRZZOGRJOFK-HSZRJFAPSA-N 492.649 3.170 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c3cccc(F)c3)CC2)cc1 1862068932 ZKKPYOJMSSHPBO-VWLOTQADSA-N 477.536 3.230 10 10 JGCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccccn1)[C@@H]2c1ccc(O)c(O)c1 1864015707 DDIGNUVPJVYMNU-OAQYLSRUSA-N 483.528 3.387 10 10 JGCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccccc1F 1865065345 LKWCSQXTTJUENB-HSZRJFAPSA-N 491.567 3.403 10 10 JGCE CCOC(=O)c1c(NC(=O)[C@@H](N)CCC(N)=O)sc(C)c1-c1ccc(Br)cc1 1866104232 FGGPWNDIHUBCBX-ZDUSSCGKSA-N 468.373 3.194 10 10 JGCE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)ccc1O[C@@H](C)C(=O)O 2294216856 JDPPOUXPLXOODT-AWEZNQCLSA-N 468.531 3.331 10 10 JGCE COc1ccc(N2CCN(C(=O)C3=C[C@@H]4CS(=O)(=O)c5ccccc5[C@@H]4S3)CC2)cc1 2297672764 JIFSCAIWCCQTRF-OPAMFIHVSA-N 456.589 3.119 10 10 JGCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1)C(=O)O 2314929886 UBJXLONOFAZUTI-MRXNPFEDSA-N 478.573 3.023 10 10 JGCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3F)C2=O)ccc1O[C@H](C)C(=O)O 2314932095 KJFAENUWHDWUHP-LLVKDONJSA-N 476.507 3.232 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)N3CCC[C@@H]3Cc3cccc(OC)c3)CC2)cc1 742939210 BNFACMACZNWKBR-HSZRJFAPSA-N 452.599 3.243 10 10 JGCE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N(Cc2ccco2)Cc2ccccc2O)c1 1445639516 WEEORETUEPEZQI-UHFFFAOYSA-N 456.520 3.085 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@H]3CCCN(Cc4ccccc4F)C3)CC2)cc1 1861993741 NRRUNFVYQRMACS-QFIPXVFZSA-N 496.627 3.290 10 10 JGCE CCC[C@@H](NC(=O)c1nc(C2CC2)n2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868778987 ZUDUWDBZAFCYFS-JOCHJYFZSA-N 475.593 3.468 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3cc(-c4ccc(F)c(F)c4)[nH]n3)CC2)cc1 1868933915 UTSODZNTUADULP-UHFFFAOYSA-N 483.519 3.221 10 10 JGCE CCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc3cc[nH]c3c2)[nH]1 1871586054 BWMQVAHFVHQIBF-UHFFFAOYSA-N 458.570 3.097 10 10 JGCE CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874180936 ZHUAYMKPYJRDGO-FQEVSTJZSA-N 462.527 3.466 10 10 JGCE CCOc1cc([N+](=O)[O-])cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1O 2293571101 UWOSCTUDMDLFRE-UHFFFAOYSA-N 476.239 3.128 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1CCc2cc(O)c(O)cc2C1 2341193711 HTEFESRDLCSJKK-HXUWFJFHSA-N 456.539 3.483 10 10 JGCE COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@H](C)O4)cs2)c(OC)c1 11857678 FLXGPSCHXYWMHQ-NSHDSACASA-N 461.521 3.348 10 10 JGCE COc1cccc(C2=NN(C(=O)CN3C(=O)CSC3=O)[C@@H](c3ccc(N(C)C)cc3)C2)c1 72413224 MDLBHGZXPNQSTK-HXUWFJFHSA-N 452.536 3.134 10 10 JGCE CCCCN1C(=O)[C@@H]2[C@H](c3cccc(OC)c3O)N[C@](CC3CCCCC3)(C(=O)O)[C@@H]2C1=O 248206729 BHPLYKVHYKOKPK-GBWYYYKWSA-N 458.555 3.240 10 10 JGCE CCN(CC)c1ccc(CN2C[C@@H](NCc3cccc(F)c3)C[C@H]2C(=O)NCCOC)cc1 299801094 XSJUZRMKLSMSHD-ZCYQVOJMSA-N 456.606 3.167 10 10 JGCE O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 1084111913 QUTWNXJHMGOXPF-HMMYKYKNSA-N 472.457 3.251 10 10 JGCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc4ccccc4n3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1084497036 LXRWTVPRMOYHTE-RUZDIDTESA-N 498.608 3.413 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)Cc3cc(OC)ccc3Cl)CC2)cc1 1861899289 NZGWKWFNXGDLNE-QHCPKHFHSA-N 471.985 3.240 10 10 JGCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCc1nc3ccccc3[nH]1)[C@@H]2c1ccc(O)c(O)c1 1864021229 NPTUTZFGUQNBGL-OAQYLSRUSA-N 488.548 3.154 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)[C@H](c3ccc(OC)c(OC)c3)C(C)C)CC2)cc1 1868860309 ZLCYHSNIQLULTJ-CLOONOSVSA-N 483.609 3.306 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3cc(-c4cccc(OC)c4)on3)CC2)cc1 1868959388 HTEWZCHFXFDRAM-UHFFFAOYSA-N 478.549 3.216 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCN(C)C)C(=O)N(CCCCN3CCCC3)C2=O)cc1 1873164866 WSNAACPQUVGFAQ-UHFFFAOYSA-N 477.653 3.201 10 10 JGCE CC(=O)NCCN1C(=O)C(Nc2cccc([N+](=O)[O-])c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422350 RZQGRTRGMOUIGL-UHFFFAOYSA-N 487.516 3.330 10 10 JGCE COCCN1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccccn3c2=O)SC1=S 2296706714 LHOFMWOBLOATAM-GJZGRUSLSA-N 458.609 3.024 10 10 JGCE CCOc1cc(C=C2C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1O 2297342929 RGSZJEULJXLMPH-UHFFFAOYSA-N 476.239 3.128 10 10 JGCE CCOC(=O)C1=C(C)N=c2sc(=CC=Cc3ccco3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 2313515187 WTKNFDGISGJXMU-JOCHJYFZSA-N 463.559 3.122 10 10 JGCE NC(=O)C[C@H](C(=O)O)N1C(=O)C(=Cc2cccc(OCc3ccc(Cl)cc3)c2)SC1=S 2314541536 NNMJRRFDLAKZJE-MRXNPFEDSA-N 476.963 3.449 10 10 JGCE O=C(O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=S 2314650635 SRGBQBHRCCVZFM-ZDUSSCGKSA-N 461.473 3.164 10 10 JGCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c(N3CCCCC3)nc12 33344454 CKOWYAZYUJRKGY-DTQAZKPQSA-N 472.592 3.059 10 10 JGCE Cc1cccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCc2ccc(N(C)C)cc2)c1 64972435 YIZVLWFGJVSYIC-RUZDIDTESA-N 463.603 3.493 10 10 JGCE CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 101503071 HDYVQDHILRIKCV-VJBWXMMDSA-N 498.466 3.479 10 10 JGCE COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1O[C@H](C)c1ccccc1 205167409 VCAISBCMIUMZNU-RNAUSKFDSA-N 484.559 3.456 10 10 JGCE CCCOc1ccccc1C(=O)N1CSC[C@@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862060133 TWAKDZVUENBWQM-JOCHJYFZSA-N 469.607 3.348 10 10 JGCE CC[C@@H](NC(=O)CCCOc1ccc(OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862236471 XYLPSHYNROWTSR-XMMPIXPASA-N 469.582 3.106 10 10 JGCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCC(C)C)[C@H]3c2ccc(O)c(O)c2)cc1 1864007374 LOTDNTKEGBQYEG-NRFANRHFSA-N 464.522 3.067 10 10 JGCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865029428 MYTCEJQKHTWWKA-NRFANRHFSA-N 460.534 3.458 10 10 JGCE COc1ccc(N2CCN(C(=O)CNC(=O)Cc3nc(-c4ccccc4Cl)oc3C)CC2)cc1 1868642713 SPCABTKZYCOULZ-UHFFFAOYSA-N 482.968 3.320 10 10 JGCE CCOC(=O)COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 2294095108 JMPYIOPFPDEMTC-UHFFFAOYSA-N 473.279 3.057 10 10 JGCE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)o1 2297330296 CGADCMLKCJIHSO-UHFFFAOYSA-N 482.474 3.317 10 10 JGCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1O[C@@H](C)C(=O)O 2314934305 YXIDDPFTDHDQQX-ZDUSSCGKSA-N 472.544 3.402 10 10 JGCE CCOc1cc(/C=C2/SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)ccc1O 2219651 KTUSIHJVCYMLRJ-GZTJUZNOSA-N 450.563 3.194 10 10 JGCE CCOc1cccc([C@@H]2CC(c3ccc4c(c3)OCO4)=NC3(CCN(C(C)=O)CC3)N2)c1O 65298437 TZBRNPXABGTOPG-FQEVSTJZSA-N 451.523 3.382 10 10 JGCE biogenic CCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1864019032 UPWCYQVKRQYFCB-FQEVSTJZSA-N 466.513 3.265 10 10 JGCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2 1864019773 QMGRQEWARNDJDH-HXUWFJFHSA-N 498.967 3.347 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C[C@H](c3ccc4c(c3)OCCO4)C3CC3)CC2)cc1 1868689950 ZLLJQVQGVMWLBO-CYFREDJKSA-N 493.604 3.204 10 10 JGCE Cc1cc(=O)oc2cc(OCC(=O)NCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccc12 1874016938 INAIVZJAJVTDHA-UHFFFAOYSA-N 496.475 3.011 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2136245434 TULPNJBORNVZCU-AABGKKOBSA-N 499.564 3.107 10 10 JGCE CCOc1cc(C=C2SC(=S)N(NC(=O)C3CCCCC3)C2=O)ccc1OCC(=O)O 2314935021 MGWVBBYIFLAQAD-UHFFFAOYSA-N 464.565 3.361 10 10 JGCE COc1ccc(N2CCN([C@@H](CNC(=O)CCS(=O)(=O)c3ccccc3)c3ccco3)CC2)cc1 38606784 MCZWSRMGFIJLRW-DEOSSOPVSA-N 497.617 3.132 10 10 JGCE CCO[P@@H](=O)[C@H](N)c1cc(I)cc(I)c1O 382636675 FEQBVAJSNQBFFH-VIFPVBQESA-N 466.981 3.070 10 10 JGCE [N-]=[N+]=NCCCNC(=O)c1cc(I)cc(I)c1O 701304131 UJGOIHCAKKOSJF-UHFFFAOYSA-N 472.024 3.032 10 10 JGCE CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)c1 728263256 WHMJTCOUUPSNTC-UHFFFAOYSA-N 488.031 3.008 10 10 JGCE CC(C)N1C[C@@H](NC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)CC1=O 1860347497 RRHPUNYKKQMGRT-VKGTZQKMSA-N 499.615 3.304 10 10 JGCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCc1ccc(OC)cc1)[C@H]2c1ccc(O)c(O)c1 1864020974 JPTPOUASQSHZRB-NRFANRHFSA-N 478.549 3.286 10 10 JGCE CCc1ccc(N2C(=O)/C(=C\c3ccc(I)o3)C(=O)NC2=S)cc1 6574128 ZLFLJGYUWNOTBV-LCYFTJDESA-N 452.273 3.278 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Cc3ccc(-c4ccccc4)cc3)CC2)cc1 8611485 VZZWMNDENOXRQR-UHFFFAOYSA-N 493.629 3.173 10 10 JGCE CCN(CC)c1ccc(/C=C2/N=C(SCC(=O)c3c(O)on[n+]3C)N(c3ccccc3)C2=O)cc1 106760232 IIOQTJWHNBGTCH-HMMYKYKNSA-O 492.581 3.411 10 10 JGCE COc1ccc(NC(=O)CN2C(=O)/C(=C\c3cc(OC)c(O)c(OC)c3)SC2=S)cc1 210673955 NUXUUFVKTWRBCU-LICLKQGHSA-N 460.533 3.258 10 10 JGCE CC[C@H](NC(=O)c1cc(C)n(-c2cccc(C)c2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868766263 IHLFMCKLGHZZSD-DEOSSOPVSA-N 475.593 3.355 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C[C@@H](c3ccccc3)c3nnc(C)o3)CC2)cc1 1868880032 FZCOXWMDSCBHKU-QHCPKHFHSA-N 491.592 3.152 10 10 JGCE COc1ccc([C@@H](C(=O)NCC(=O)N2CCN(c3ccc(OC)cc3)CC2)C2CCCC2)cc1 1868880146 JCYPRVJSORBLLN-SANMLTNESA-N 465.594 3.443 10 10 JGCE COc1ccc(N2CCN(c3nc(NC(=O)CCCOc4cccc(C)c4)n(C)n3)CC2)cc1 1869969094 DHYWUFDXTPXRBC-UHFFFAOYSA-N 464.570 3.256 10 10 JGCE CCNC(=O)COc1cn(CCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870973643 JPURTQAICGOBGY-UHFFFAOYSA-N 463.582 3.281 10 10 JGCE C[C@@H]1[C@H](NC(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)CCN1Cc1ccccc1 2200954312 YJWVCVNEABMTDL-UIFIKXQLSA-N 469.582 3.313 10 10 JGCE COc1cc(N2CCCC2)c(OC)cc1C=C1NC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O 2294046495 ROJAQCMVNCQIQK-UHFFFAOYSA-N 464.522 3.144 10 10 JGCE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)C1=Cc1cccc(OC(=O)c2cccs2)c1 2297578039 ZBKIRUSAWFDWOZ-UHFFFAOYSA-N 467.528 3.421 10 10 JGCE CCOC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OC 2313559254 UYEITJZPJQPMFL-UHFFFAOYSA-N 492.912 3.261 10 10 JGCE COc1cc(C=C2SC(=S)N(NC(=O)Cc3ccccc3)C2=O)ccc1OCCC(=O)O 2314932997 QXKCVTMVPZSCPL-UHFFFAOYSA-N 472.544 3.024 10 10 JGCE COC(=O)c1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 747840916 SMMMHZGSWOZFLA-UHFFFAOYSA-N 460.533 3.383 10 10 JGCE CC(=O)N1CCN([C@@H]2CN(c3nnc(CC(C)C)n3CCCSc3nccs3)C[C@H]2C)CC1 1359399877 XFQXVGGPMACYCD-UYAOXDASSA-N 491.731 3.104 10 10 JGCE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(N(C)C)c(F)c1 1705495480 QJQYOIGGJYQGIS-DYESRHJHSA-N 486.592 3.298 10 10 JGCE CCc1nn(C)c2c1[C@H](c1ccccc1C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865659866 KKMMJNUNAXPMCO-QHCPKHFHSA-N 487.604 3.343 10 10 JGCE CC[C@@H](NC(=O)CCc1csc(-c2ccncc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868910077 SUKXPLBJBDELCT-HSZRJFAPSA-N 493.633 3.390 10 10 JGCE CC(NCc1ccc(S(N)(=O)=O)cc1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 2313683355 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1873896380 UCTYOXLYLXCHMW-UHFFFAOYSA-N 487.420 3.294 10 10 JGCE CCOc1cc(/C=C2/C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc(Br)c1OC 33311427 ATGARLLTSONOLL-CXUHLZMHSA-N 494.367 3.310 10 10 JGCE COC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccc(N(C)C)cc3)CC2)c1C 45973988 YMMWJTGBSSRNOP-UHFFFAOYSA-N 454.571 3.043 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)C(C)(C)CN4C(=O)C(C)C)CC2)cc1 65021102 WELZFTAJMDTVIN-UHFFFAOYSA-N 471.623 3.486 10 10 JGCE CN(C)c1ccc([C@@H](CNCC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)N(C)C)cc1 257630760 GOAFOGHVXOIBNV-RUZDIDTESA-N 486.682 3.393 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)Cc3ccc(F)cc3)CC2)cc1 1862122596 WCOWLDRNOQLSPU-AREMUKBSSA-N 475.564 3.453 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)Cc3ccc4nc(O)c(C(C)C)cc4c3)CC2)cc1 1868910338 ILLGRMYZBYQVRL-LJQANCHMSA-N 490.604 3.468 10 10 JGCE COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n2)cc1 1874179368 APDIESATZGBJCU-UHFFFAOYSA-N 465.465 3.333 10 10 JGCE CCOC(=O)c1ccc(-c2ccc(C=C3SC(=S)N([C@@H](CC(=O)O)C(=O)O)C3=O)o2)cc1 2040586083 UTFMGRSJEXQACB-AWEZNQCLSA-N 475.500 3.252 10 10 JGCE Cc1c(NC(=O)CN2C(=O)C(=Cc3ccccc3)SC2=S)c(=O)n(-c2ccccc2)n1C 2040996285 AJRILQWNIWTDRC-UHFFFAOYSA-N 464.572 3.324 10 10 JGCE O=C(C=Cc1ccccc1OC(F)(F)F)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 2042452788 MHNNMZRJTLDZDH-UHFFFAOYSA-N 454.470 3.150 10 10 JGCE COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1O[C@@H](C)c1ccccc1 2297499351 VCAISBCMIUMZNU-ZDUSSCGKSA-N 484.559 3.456 10 10 JGCE CCC[C@H](NC(=O)C=Cc1cc(OC)ccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2331195377 RAJRTLPFFJJVBB-DEOSSOPVSA-N 481.593 3.359 10 10 JGCE NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1 15038191 WPTABEXZFUHKFJ-WJDWOHSUSA-N 482.008 3.217 10 10 JGCE CCCNC(=O)CN1CCN(C(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)CC1 109108644 QWWXFQVHADPKLO-UHFFFAOYSA-N 461.404 3.141 10 10 JGCE CC(=O)N1CC[C@@H](CN(C)c2nnc(C(C)C)n2Cc2ccc(N3CCSCC3)cc2)C1 1595963280 KKMFALVMGICWRO-NRFANRHFSA-N 456.660 3.308 10 10 JGCE CCc1sc(NC(=O)C(=O)NCC(OC)OC)c(C(=O)OC)c1-c1ccc(Br)cc1 1860764002 VOVHOSGTKOCKJN-UHFFFAOYSA-N 499.383 3.200 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCOC(C)C)cn3CCCCCO)CC2)cc1 1870548834 QENYYNCFCCHTPT-UHFFFAOYSA-N 487.641 3.146 10 10 JGCE COCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CC(C)C 1875207351 RAYDNEFVFYINQO-UHFFFAOYSA-N 466.586 3.117 10 10 JGCE CCOc1cc(C=C2C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc(Br)c1O 2297556051 IKYBJUVYIXOSFE-UHFFFAOYSA-N 480.340 3.007 10 10 JGCE O=C1CN(c2ccc(CNC(=O)c3ccccc3SCc3cn4ccccc4n3)cc2)CCN1 29473356 FJPRROQSEFLTGT-UHFFFAOYSA-N 471.586 3.493 10 10 JGCE COc1ccc(N2CCN(C(=O)c3ccc([C@@H]4Nc5ccccc5S(=O)(=O)N4)cc3)CC2)cc1 33063250 NXKRWLNOAYUSKR-XMMPIXPASA-N 478.574 3.060 10 10 JGCE Cc1csc(-c2cc(S(=O)(=O)NCc3ccc(N(C)C)cc3)cn2CC(=O)N2CCCC2)n1 33307606 AKCUSIVHTGWOPN-UHFFFAOYSA-N 487.651 3.087 10 10 JGCE CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 59418535 IHFGZLISJRTMHT-FVIVVMBBSA-N 491.613 3.263 10 10 JGCE Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)OCO4)CC2)c(C)n1-c1ccc(F)cc1 62694770 SSWYBLMZNFQCMY-UHFFFAOYSA-N 499.564 3.151 10 10 JGCE COC(=O)C1=CN(c2ccc(OC)c(OC)c2)c2cc(Br)ccc2S1(=O)=O 64979269 AJDDFWUYSQLJIC-UHFFFAOYSA-N 454.298 3.406 10 10 JGCE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCc3cc(C)n(-c4ccccc4)c3C)C2=O)cc1 746430158 ZBHZAWGUNBYSJH-HHHXNRCGSA-N 474.561 3.229 10 10 JGCE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864009070 YRIMFKRPTVBENP-IBGZPJMESA-N 452.898 3.219 10 10 JGCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2C[C@H](C)O[C@@H](C)C2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865027073 FMZLAPFPSCULRL-PBPSECFOSA-N 490.560 3.231 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCN(C(=O)OC(C)(C)C)C1CC1 2200953344 OUJARNWMQUXEHU-KRWDZBQOSA-N 479.574 3.049 10 10 JGCE N=C1C(=Cc2ccc(SCc3ccccc3)o2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12 2297349935 DICLFRICWYKRNY-UHFFFAOYSA-N 495.586 3.440 10 10 JGCE Cc1ccccc1-n1c(C)cc(C=C2C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c1C 2297469043 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CQEDDCOQIINCOH-QFIPXVFZSA-N 451.498 3.117 10 10 JGCE CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864015524 BFWKBORLIFOPNC-NRFANRHFSA-N 491.592 3.041 10 10 JGCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCOC(C)C)[C@@H]2c1ccc(O)c(O)c1 1864022313 LKPUKKANGXFLFO-MRXNPFEDSA-N 498.502 3.349 10 10 JGCE CCS(=O)(=O)c1ccc(O)c(N=c2nc(N3CCCCCC3)[nH]c(N3CCCCCC3)n2)c1 1871736819 IANIRBZTBAIWES-UHFFFAOYSA-N 474.631 3.297 10 10 JGCE CCCCN1C(=O)NC(=O)C(=Cc2ccc(OC)c(COc3ccc(NC(C)=O)cc3)c2)C1=O 2296552156 NNHHKMFAHHOJMF-UHFFFAOYSA-N 465.506 3.495 10 10 JGCE Cc1ccccc1Oc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCC(=O)O)C1=O 2296849530 JFVDWGCNLORNCJ-UHFFFAOYSA-N 467.528 3.471 10 10 JGCE COc1ccc2c(c1)c(C=C1SC(=S)N(Cc3ccc(S(N)(=O)=O)cc3)C1=O)cn2C 2323686573 PWHOSFHSUZSVCD-UHFFFAOYSA-N 473.601 3.236 10 10 JGCE Cc1cc(C(=O)Cn2c(=O)c3ccc(C(F)(F)F)nc3n(C)c2=O)c(C)n1-c1ccccc1 31451285 QBCYSAHZJWJMGA-UHFFFAOYSA-N 456.424 3.404 10 10 JGCE CCCCN1C(=O)/C(=C\c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC1=S 34988008 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GFRPXHTYMWNVJW-UHFFFAOYSA-N 494.596 3.394 10 10 JGCE COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3CCC(C)CC3)ncnc21 1873560036 WCYLBORJGQJXOJ-UHFFFAOYSA-N 492.624 3.285 10 10 JGCE CC(C)(C)OC(=O)N(CCCC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O)Cc1ccccc1 2180596000 INCPELOPVQRKDN-LJQANCHMSA-N 472.538 3.427 10 10 JGCE NC(=O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)cc2)SC1=S 2314542232 SZZISNQWQVJVMT-INIZCTEOSA-N 476.963 3.449 10 10 JGCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3C)C2=O)ccc1O[C@H](C)C(=O)O 2314931878 IRWGVJOLSCTJAG-CYBMUJFWSA-N 472.544 3.402 10 10 JGCE CCC[C@H](NC(=O)C=Cc1ccc2c(c1)OCCO2)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330511115 NKADWKSQEFXHFI-QHCPKHFHSA-N 479.577 3.113 10 10 JGCE Cc1c(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)c(N2CCN(C)CC2)n(C)c(=O)c1C#N 2354144 CXEOOZSMSWYTPO-AQRZYSDFSA-N 493.658 3.280 10 10 JGCE CCC1=NN2C(=N)/C(=C\c3ccc(OCc4cc(=O)n5nc(C)sc5n4)cc3)C(=O)N=C2S1 20332039 YKYAFWLDGAXOFL-HINGXDCCSA-N 479.547 3.068 10 10 JGCE Cc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)c(C)c1 34378498 XAACMYKBVOUVNS-QZQOTICOSA-N 495.582 3.335 10 10 JGCE CN(C)c1ccc(CN2CCN(Cc3nc(C(=O)N4CCN(c5ccccc5)CC4)co3)CC2)cc1 34678375 ODMGDAQQICCAJX-UHFFFAOYSA-N 488.636 3.021 10 10 JGCE COCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2C[C@H](C)C[C@@H](C)C2)SC1=S 39989572 VWUCVRVYTJZXQK-QJHUTNDBSA-N 474.652 3.285 10 10 JGCE CCCc1nn2c(=O)cc(COc3ccc(/C=C4/C(=O)NN(c5ccccc5)C4=O)cc3)nc2s1 96484347 LOLDKOWNBDOOJW-MOSHPQCFSA-N 487.541 3.144 10 10 JGCE C[C@@H]1[C@@H](N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)C(=O)N(c2ccccc2)N1C 229672065 ZMNOZDDFSPGCQV-JEDRVYOSSA-N 454.533 3.447 10 10 JGCE CC1=NN(c2ccccc2)C(=O)C1=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccccc1 252674735 SKTCEKWNTNPRHU-UHFFFAOYSA-N 455.514 3.440 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cccc(C4SCCS4)c3)CC2)cc1 743432158 HLVYICGQVPWTPO-UHFFFAOYSA-N 486.663 3.051 10 10 JGCE Cc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3C)[C@@H]2c2ccc(O)c(O)c2)cc1 1864014834 DJBKSHUTXBVLCF-KRWDZBQOSA-N 488.466 3.212 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1864023193 VJPMKJZQWKVDAK-MRXNPFEDSA-N 492.429 3.331 10 10 JGCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1865025677 BLWIBFUOEXFROT-OAQYLSRUSA-N 463.538 3.330 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc5nc(C)sc5c4)C3)CC2)cc1 1866402346 QNGSVKBUCAMBGP-KRWDZBQOSA-N 450.564 3.315 10 10 JGCE C[C@H](NC(=O)[C@@H](c1ccccc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866693274 DRXTWSQDQAVVGF-QMHKHESXSA-N 455.514 3.208 10 10 JGCE CCN(CC)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CCCOC 1873559014 NDMCANZOOYJJNP-UHFFFAOYSA-N 480.613 3.285 10 10 JGCE O=C(N[C@@]1(c2cc(I)ccc2O)C[C@H]1C(=O)O)OCc1ccccc1 1952774889 LZOZEKVAGUQTQC-KBXCAEBGSA-N 453.232 3.223 10 10 JGCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12 2040498291 HEJSXIBLIBDCFY-UHFFFAOYSA-N 495.605 3.300 10 10 JGCE C[C@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@@H]1NC(=O)C(F)(F)F 2106839235 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QQWBOEISOFXCFD-QFIPXVFZSA-N 487.560 3.319 10 10 JGCE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864013129 QMLVXFQQUWXCSE-HXUWFJFHSA-N 463.538 3.098 10 10 JGCE COCCn1c(C(=O)N2CCCCCC2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873557194 LODIWTFXRZJCTE-UHFFFAOYSA-N 492.624 3.429 10 10 JGCE CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@@H]1CO 2178863486 IPUDQYFHLNOGGC-UZLBHIALSA-N 476.618 3.274 10 10 JGCE C[C@@H]1[C@H](NC(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 2200966783 JTLANEOOFDXMCG-OIISXLGYSA-N 479.574 3.048 10 10 JGCE COc1ccc(N2CCN(CCCNC(=O)[C@@H]3CCCN(c4nc5ccccc5[nH]4)C3)CC2)cc1 33071804 JEHGVFGTBAKAPT-OAQYLSRUSA-N 476.625 3.116 10 10 JGCE COc1ccc(N2CCN(CCCNC(=O)[C@H]3CCCN(c4nc5ccccc5[nH]4)C3)CC2)cc1 33071808 JEHGVFGTBAKAPT-NRFANRHFSA-N 476.625 3.116 10 10 JGCE CCCCn1c(N2C[C@H](C)O[C@@H](C)C2)c(/C=C2\SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 39991302 VWQNLZOEBLZVLZ-BHFHNPPDSA-N 460.625 3.273 10 10 JGCE CC(=O)N1CCN(c2ccccc2CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 1630709681 AZAQIDCRFKECKX-UHFFFAOYSA-N 451.354 3.367 10 10 JGCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)COc3ccccc3Cl)cc2)cc1 1858957089 HNIGHAKSWBTAMF-UHFFFAOYSA-N 489.937 3.095 10 10 JGCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2 1864007017 DCADRNYQJRSGCM-OAQYLSRUSA-N 497.983 3.008 10 10 JGCE CN(C)c1ccc([C@H](NC(=O)c2cccc3c(-c4cnn(C)c4)[nH]nc23)c2nccn2C)cc1 1866137540 ZOCJLDLHKJMLEL-QFIPXVFZSA-N 454.538 3.282 10 10 JGCE COc1ccc(C(=O)N[C@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867314437 IIYJBLKYSZSWGH-NTKDMRAZSA-N 452.599 3.223 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCOc4ccccc4)cn3CCCO)CC2)cc1 1870600117 CLSDTFMWIONALU-UHFFFAOYSA-N 493.604 3.019 10 10 JGCE COc1ccc(N2C[C@@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2=O)c(OC)c1 1874179078 LZXVRALLFIFQOX-HNNXBMFYSA-N 470.481 3.471 10 10 JGCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](NC(=O)N3CCOCC3)c3ccccc3)cccc21 1874179508 HTFJNYCLKLYGEC-HSZRJFAPSA-N 469.497 3.184 10 10 JGCE CCn1c(=O)c2cc(S(=O)(=O)Nc3nc(-c4ccccc4)c(C)s3)ccc2n(CC)c1=O 1892032446 MAZRUGXNIQPFJL-UHFFFAOYSA-N 470.576 3.436 10 10 JGCE CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)NCc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCCN21 35445748 PYGXGRFJMCWAQE-XMMPIXPASA-N 491.636 3.257 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cncc(-c4ccc(N(C)C)cc4)c3)cc2)CC1 1466882654 PHESJJMVCCPKSR-UHFFFAOYSA-N 457.578 3.413 10 10 JGCE CCc1ccc(OCC(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)cc1 1858958039 FYPHJVBURQKTQG-UHFFFAOYSA-N 483.546 3.004 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3nn(-c4ccccc4)c4c3CCC4)CC2)cc1 1862073034 QLZCAUCXIBQSDZ-SANMLTNESA-N 499.615 3.323 10 10 JGCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2ccco2)[C@H]3c2ccc(O)c(O)c2)cc1 1864007501 OFLUZDZFVHTOGS-QFIPXVFZSA-N 488.500 3.205 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1864017058 DMRNOYKYNMESEP-FQEVSTJZSA-N 478.549 3.457 10 10 JGCE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865035237 ORSYJFCPXUABBU-OAQYLSRUSA-N 478.524 3.361 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc5nc(C)sc5c4)C3)CC2)cc1 1866402347 QNGSVKBUCAMBGP-QGZVFWFLSA-N 450.564 3.315 10 10 JGCE O=C(C[C@H](c1ccccc1)C1CC1)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866725991 AACPGWODJJFBSW-ISKFKSNPSA-N 482.536 3.462 10 10 JGCE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc([N+](=O)[O-])cc4)n(-c4ccccc4)[nH]3)CC2)cc1 1869969628 GYMVHARJDLHLRR-UHFFFAOYSA-N 499.531 3.185 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nonc3OCC(=O)Nc3c(C)cccc3C(C)C)CC2)cc1 1872681189 UBIPPWJEPGCELM-UHFFFAOYSA-N 493.564 3.490 10 10 JGCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCCCN(C)C)n4CC(C)C)CC2)cc1 1873578541 CIQYPZZYHQIPJG-UHFFFAOYSA-N 493.656 3.104 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 1892022123 DYMKXFDZMFUOQX-GOSISDBHSA-N 484.043 3.302 10 10 JGCE COc1cccc(C=C2SC(=S)N(CCNC(=O)c3ccc(OC)c(OC)c3)C2=O)c1 2320656187 SYNLNKAHSWTXOA-UHFFFAOYSA-N 458.561 3.344 10 10 JGCE CCN(CC)c1ccc(CN2CCc3c(c(C(=O)N4CCOCC4)nn3Cc3ccccn3)C2)cc1 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1867803107 SMZIVVUSDLRHST-FQEVSTJZSA-N 462.516 3.243 10 10 JGCE COc1ccc(N2CCN(c3nc(=NC[C@@H]4CCCO4)nc(Nc4ccc(C)cc4)[nH]3)CC2)cc1 1871474582 JQBLHPLYFVGTAE-QHCPKHFHSA-N 475.597 3.272 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccccc4)cc3)C(=N)N21 2297345259 GNLPRPFBZDUMSJ-UHFFFAOYSA-N 454.533 3.277 10 10 JGCE O=C(O)CN1C(=O)C(=Cc2c(Sc3ccccc3)nc3ccccn3c2=O)SC1=S 2297497860 VYPAZZFJNQGXHE-UHFFFAOYSA-N 455.542 3.132 10 10 JGCE CCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 39989762 IQCMIAUWENQACQ-JYAVETKUSA-N 474.652 3.378 10 10 JGCE COc1ccccc1NS(=O)(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 104223463 UVZVSIQAWMULNM-XDJHFCHBSA-N 492.513 3.075 10 10 JGCE CCOC(=O)c1c(NC(=O)C(=O)NCCCn2ccnc2)sc(C)c1-c1ccc(F)cc1 1860759619 YXQFABXGLVFNNW-UHFFFAOYSA-N 458.515 3.381 10 10 JGCE COc1ccccc1CNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCNC(C)=O)C1=O 1873165197 HYUCYJVIIYSGLN-UHFFFAOYSA-N 486.572 3.109 10 10 JGCE COc1ccc(O)c(CNC2CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C2)c1 2259379110 DQFXRFJYYMYVGL-UHFFFAOYSA-N 451.564 3.347 10 10 JGCE CC[C@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2cccc([N+](=O)[O-])c2)C1=O)C(=O)O 2314932466 MSMUEBLLJMCZTR-HNNXBMFYSA-N 487.515 3.383 10 10 JGCE Cc1ccccc1-n1c(C)cc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1C 23155831 YTWWFXJQBAIEJN-UHFFFAOYSA-N 482.562 3.457 10 10 JGCE COc1ccc(N2CCN(C(=O)CC3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)CC2)cc1 33254553 GZFCZDKJDOLXMF-UHFFFAOYSA-N 471.623 3.143 10 10 JGCE CCCc1nnc(NC(=O)COc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2OC)s1 211938905 NJFVOYWSYJKMPM-NTEUORMPSA-N 464.594 3.348 10 10 JGCE [N-]=[N+]=NCCCCNC(=O)c1cc(I)cc(I)c1O 706392080 GQLVARCKTVAANF-UHFFFAOYSA-N 486.051 3.422 10 10 JGCE CC(=O)N1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCSc2nccs2)CC1 1286867355 OCRRNKINQPMZLH-UHFFFAOYSA-N 499.666 3.455 10 10 JGCE CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(C)(C)O)CC1 1749828279 ABVKQIABPVLAPC-UHFFFAOYSA-N 450.587 3.182 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CC[C@H](CNS(=O)(=O)c4ccccc4)CC3)CC2)cc1 1860353736 VQVXWUFHDUTFKS-MEMLXQNLSA-N 471.623 3.129 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc4nc[nH]c4c3)CC2)cc1 1862256967 MRLVLPJDKSONRL-SANMLTNESA-N 483.572 3.261 10 10 JGCE COc1ccccc1CN1C[C@@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1=O 1874180856 VIRJHTNUBFLIJX-KRWDZBQOSA-N 454.482 3.458 10 10 JGCE CSC1=NSC2=NC(=O)C(=Cc3ccc(OS(=O)(=O)c4ccccc4)cc3)C(=N)N12 2297345041 KVLWPLDHOFXBLH-UHFFFAOYSA-N 458.546 3.394 10 10 JGCE Cc1cc(C)cc(OCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)c1 2297345055 MQRCANGYDROJAG-UHFFFAOYSA-N 498.586 3.383 10 10 JGCE COc1cc(C=C2C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)ccc1OCCO 2313549538 YSJNBOBQFAVZQX-UHFFFAOYSA-N 489.322 3.112 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)N(C(C)=O)C[C@@H](C)S4)CC2)cc1 9439813 SEYGYZWKQTUWCM-MRXNPFEDSA-N 461.609 3.053 10 10 JGCE COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(OCC(=O)O)c(Br)c3)C2=O)cc1 33319981 SCQLAJODUUOJMV-ZSOIEALJSA-N 475.251 3.428 10 10 JGCE CN1C(=O)NC(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 96836797 JKUVVJOQLRGRSJ-ZSOIEALJSA-N 460.240 3.028 10 10 JGCE COc1ccc(N2CCN(c3ccc(N4C(=O)[C@H]5CC=CC[C@H]5C4=O)cc3[N+](=O)[O-])CC2)cc1 102784056 RUHOIMHOFIZDLP-OYRHEFFESA-N 462.506 3.386 10 10 JGCE CC(=O)N(C)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(N(C)C)cc2C)CC1 1760575633 IMTRMXSSMCAZDL-OAQYLSRUSA-N 454.619 3.042 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)C(C)C)CC2)cc1 1862300202 OTZULMSQPLSEAD-HSZRJFAPSA-N 455.624 3.418 10 10 JGCE CCCC[C@@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)N1C(=O)c2cccc(OC)c2C1=O 1865851048 XWGLTQAVPAGXNE-NRFANRHFSA-N 465.550 3.207 10 10 JGCE O=C(CNC(=O)c1cc(-c2ccc(F)c(F)c2)[nH]n1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868155515 VDCXJYBQMDDAPU-UHFFFAOYSA-N 486.434 3.499 10 10 JGCE COCCN1C(=O)C(NCCOc2ccc(OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165775 UYFGREIWRXXKOL-UHFFFAOYSA-N 489.572 3.498 10 10 JGCE CC(C)[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1C(=O)c2ccncc2C1=O 1874179155 QMMORBBSNZRPBF-NRFANRHFSA-N 453.454 3.116 10 10 JGCE COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OC)cc3OC)C2=O)cc1 6645206 LCFKRSVPUNDEMH-ZSOIEALJSA-N 461.268 3.141 10 10 JGCE COc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)NCCCCCC(=O)O)C2=O)cc1OC 15048025 WYXDMBKXCDRDQK-IGWPVBGESA-N 466.581 3.055 10 10 JGCE CC(=O)N1CCCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCSCC3)cc2)CC1 1722769493 GSXIXTFZHRILJZ-UHFFFAOYSA-N 456.660 3.236 10 10 JGCE O=C(O)C1CCN(C(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)CC1 1860345218 UVNQNZPBJFFMSZ-UHFFFAOYSA-N 470.529 3.288 10 10 JGCE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2 1864009349 FWDVXBUTIIBGBY-QFIPXVFZSA-N 488.548 3.146 10 10 JGCE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccccc1F)[C@@H]2c1ccc(O)c(O)c1 1864015867 XJODPAJJNKBWRH-OAHLLOKOSA-N 478.402 3.000 10 10 JGCE CCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1 1865028050 OGDZQHPONKSWSL-NRFANRHFSA-N 464.522 3.164 10 10 JGCE COCCOC(=O)COc1cn(CCOC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870903292 JFKHDPOYXKWQCR-UHFFFAOYSA-N 481.549 3.419 10 10 JGCE CCn1c(C(=O)NCCCCCCO)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873571449 NVQUZPOJLBEIQR-UHFFFAOYSA-N 480.613 3.069 10 10 JGCE CCOC(=O)c1ccc(N2C(=O)C[C@H](N3C(=O)C(=Cc4cccs4)SC3=S)C2=O)cc1 2040565443 BTKKWGUHRLDKCV-HNNXBMFYSA-N 472.569 3.458 10 10 JGCE CC[C@H](c1ccc(OC)cc1O)n1nc(C(F)F)c(C(N)=O)c1I 2079859070 ZPBQQQBATUGTJU-SECBINFHSA-N 451.211 3.238 10 10 JGCE CO[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@@H]1NC(=O)OC(C)(C)C 2122657687 UZZWCKAUDDNLKP-ICSRJNTNSA-N 462.591 3.290 10 10 JGCE O=C(CCCN1C(=O)C(=Cc2ccc(O)cc2O)SC1=S)Nc1ccc(C(=O)O)cc1 2314832095 ZKYDVZLRJGTAIV-UHFFFAOYSA-N 458.517 3.416 10 10 JGCE COc1cccc(C(=O)NN2C(=O)C(=Cc3cccc(OCCC(=O)O)c3)SC2=S)c1 2314931562 OWGIZXPXEOFFNP-UHFFFAOYSA-N 458.517 3.095 10 10 JGCE COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)CC2)cc1 726725851 LHEFIAAVVFYTGF-UHFFFAOYSA-N 488.592 3.404 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)Nc3ccc(-n4cccn4)c(Cl)c3)CC2)cc1 727590762 FQSFKJGILFKONG-UHFFFAOYSA-N 454.962 3.478 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)c3cc4ccc(Br)cc4[nH]3)CC2)cc1 742919700 CVEZJVVKPFFXRV-UHFFFAOYSA-N 457.372 3.491 10 10 JGCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@H](C)N(C)C)[C@H](C)C1 1286870674 DMQYHCXMOYEOPC-VQTJNVASSA-N 463.630 3.360 10 10 JGCE CC(=O)N1CCN([C@H]2CN(c3nnc(CC(C)(C)C)n3Cc3ccc(N(C)C)cc3C)C[C@H]2C)CC1 1286887739 UFFMQKOGULCBQT-BWKNWUBXSA-N 495.716 3.278 10 10 JGCE C#CCSCCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1705660360 TVVOBDAJWUGYQR-NRFANRHFSA-N 455.628 3.012 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)C3CCN(Cc4ccccc4)CC3)CC2)cc1 1861970676 DSXOIEPWSZWUPS-HHHXNRCGSA-N 490.648 3.247 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H](C)Oc3ccc(Cl)cc3)CC2)cc1 1862216918 CNSBKBZCXHZZTI-VGOFRKELSA-N 490.025 3.366 10 10 JGCE CCCc1nn(CC)c2c1[C@@H](c1ccc[nH]1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865603206 SGDXCBVSXVMLLX-JOCHJYFZSA-N 490.608 3.236 10 10 JGCE CCOC(=O)COc1c(Cl)cc(C=C2SC(=O)N(CC(=O)OC)C2=O)cc1Br 2294014083 ZMZQWOSVUKINOT-UHFFFAOYSA-N 492.731 3.254 10 10 JGCE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCC(=O)O)C2=O)c1 2296849516 GZXFECQOEPLSEQ-UHFFFAOYSA-N 467.528 3.471 10 10 JGCE COc1ccc(C=C2SC(=S)N([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)C2=O)cc1OC 2314832177 BIMZNTIAKHWWQI-HNNXBMFYSA-N 472.519 3.376 10 10 JGCE O=C(O)COc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3Br)C2=O)cc1 2314928759 BDYFUNQPPDGGRF-UHFFFAOYSA-N 493.360 3.459 10 10 JGCE COc1ccc(N2CCCN(C(=O)Nc3ccc(S(=O)(=O)C[C@H]4CCCO4)cc3)CC2)cc1 731401322 MDPKCPSLRADWGG-JOCHJYFZSA-N 473.595 3.392 10 10 JGCE CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCCOC3)n2CCCSc2nccs2)C1 1286849826 NGLTXRHSWDERED-QZTJIDSGSA-N 464.661 3.116 10 10 JGCE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1705946011 XAGAXUNPJUCPKS-HXUWFJFHSA-N 475.684 3.336 10 10 JGCE CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)C)n3Cc3ccc(N(C)C)cc3C)C[C@H]2C)CC1 1722776069 XRGQRKMIPYVSSK-BWKNWUBXSA-N 481.689 3.203 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)Cc3nc(-c4ccccc4C)oc3C)CC2)cc1 1868630833 ZXLUWNDWBUJEKQ-LJQANCHMSA-N 476.577 3.363 10 10 JGCE COc1ccc(N2CCN(c3nc(Nc4cc(OC)cc(OC)c4)ncc3[N+](=O)[O-])CC2)cc1 1871309796 QCBIBBKYWMNRQK-UHFFFAOYSA-N 466.498 3.481 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873167334 BNWHVTZNRYUUKS-UHFFFAOYSA-N 477.653 3.200 10 10 JGCE CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(S(=O)(=O)N2CCOCC2)cc1 2297512186 GTQIMHKZGYMNNZ-UHFFFAOYSA-N 454.552 3.043 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)C=Cc3ccc(C)cc3)CC2)cc1 2328562844 DWJJEKXDEAMXKQ-HSZRJFAPSA-N 451.592 3.267 10 10 JGCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2cccc([N+](=O)[O-])c2)N3)CC1 14471809 YVSKSSXGHOZZQE-JTAQYXEDSA-N 454.552 3.357 10 10 JGCE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)O)cc2)o1 27548733 AJDZSLMHMCNLQI-UNOMPAQXSA-N 451.460 3.098 10 10 JGCE CCc1nnc(NC(=O)CCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)s1 33436342 QKAHETVRWXLPAE-NTEUORMPSA-N 462.578 3.449 10 10 JGCE COc1ccc(N2CCN(C(=O)c3ccc(Cn4c(=O)c5cccn5c5cccnc54)o3)CC2)cc1 35423350 WMJFZBCAEJMOMR-UHFFFAOYSA-N 483.528 3.262 10 10 JGCE COc1cccc(C2=NN(C(=O)CN3C(=O)CSC3=O)[C@H](c3ccc(N(C)C)cc3)C2)c1 72413223 MDLBHGZXPNQSTK-FQEVSTJZSA-N 452.536 3.134 10 10 JGCE O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 731401771 RGBMWUFWJUHCJK-QHCPKHFHSA-N 487.622 3.170 10 10 JGCE CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)[C@H]2C1 1632441594 JHDMWHGVVAZPSP-JWWGGVBKSA-N 450.530 3.203 10 10 JGCE CCCC[C@@H](NC(=O)c1c(OC)cccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862124608 WIKRPWCGZHSASF-OAQYLSRUSA-N 469.582 3.350 10 10 JGCE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NCCO)[C@H]3c2ccc(O)c(O)c2)cc1 1864013589 DEVBUINKBODYOW-QFIPXVFZSA-N 498.539 3.062 10 10 JGCE CSCC[C@@H](NC(=O)Cc1coc(C)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867227583 VYPZNWUEQGTEMX-HXUWFJFHSA-N 477.542 3.178 10 10 JGCE NC(=O)COc1cn(CCCn2ccnc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871117569 NNHXPKVDVVLQMS-UHFFFAOYSA-N 472.549 3.355 10 10 JGCE COc1ccc(N2CCN(C(=O)Cc3nonc3OCCCOc3cccc(C)c3)CC2)cc1 1872636081 ZHDMAODXJVMNBP-UHFFFAOYSA-N 466.538 3.126 10 10 JGCE CCN(CC)CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN(C)C)C1=O 1873167476 JBAKHJNDUCFBCC-UHFFFAOYSA-N 479.669 3.447 10 10 JGCE Cc1cccc(C(=O)NCCN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)c1[N+](=O)[O-] 2053504794 JRBJRWKTXWICJW-UHFFFAOYSA-N 471.516 3.263 10 10 JGCE COc1cc(C=C2SC(=S)N(CC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc(OC)c1OC 2293039575 OVCXPCJGAOXUKL-UHFFFAOYSA-N 488.543 3.251 10 10 JGCE O=C(CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)N(CCO)Cc1ccccc1 2296881753 YXUPRPAYKPQGPD-UHFFFAOYSA-N 470.572 3.028 10 10 JGCE CCOCCCN1C(=O)C(=Cc2c(NC[C@H]3CCCO3)nc3ccc(C)cn3c2=O)SC1=S 2314414396 XWFFCDHJECRLSR-MRXNPFEDSA-N 488.635 3.222 10 10 JGCE COc1cccc(C(=O)NN2C(=O)C(=Cc3cccc(O[C@H](C)C(=O)O)c3)SC2=S)c1 2314932053 SVQNZRAZYQPEBA-GFCCVEGCSA-N 458.517 3.093 10 10 JGCE COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)NC(=O)C(=O)NCc3ccco3)CC2)cc1 20289400 QAXOVMMDPXUGKF-MBSDFSHPSA-N 482.606 3.034 10 10 JGCE COc1ccc(/C=C2/SC(=S)N(CCC(=O)N(CCO)Cc3ccccc3)C2=O)cc1OC 33373232 PXXQGCNXIUPISF-RCCKNPSSSA-N 486.615 3.316 10 10 JGCE COc1ccc(N2CCN(CCCNC(=O)c3ccc(C)c(-n4nnc5cccnc54)c3)CC2)cc1 64925631 UGRHHHVLMIBBHU-UHFFFAOYSA-N 485.592 3.075 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)CCc3nc(-c4ccc(C)c(F)c4)no3)CC2)cc1 742916029 ACWSDRINZKOCRF-UHFFFAOYSA-N 467.545 3.064 10 10 JGCE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](O)c1ccc(Cl)cc1)=C(N)O2 1864021168 MGMCFFCGAPVLNJ-VQTJNVASSA-N 498.967 3.074 10 10 JGCE N=c1[nH]nc(COc2cn(CCCO)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)s1 1871027362 SUQGKFYIRUKHAC-UHFFFAOYSA-N 478.578 3.429 10 10 JGCE COc1cccc(C(=O)NCCN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)c1OC 2040496950 YBPMCHHSFFZSHI-UHFFFAOYSA-N 472.544 3.064 10 10 JGCE CC(C)(C)OC(=O)N1CCc2c(N3CCC[C@@H](CNC(=O)C(F)(F)F)C3)ccc(N)c2C1 2106835195 BNYKHIQDJYLITR-AWEZNQCLSA-N 456.509 3.457 10 10 JGCE C[C@@H](NC(=O)[C@@H](C)N1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S)C(=O)O 2314837827 XDMFUPAGPGSVJT-HUUCEWRRSA-N 470.572 3.445 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)N(C(C)=O)C[C@H](C)S4)CC2)cc1 9439814 SEYGYZWKQTUWCM-INIZCTEOSA-N 461.609 3.053 10 10 JGCE COc1cc(/C=C2\SC(=S)N(N3CCOCC3)C2=O)ccc1OCC(=O)Nc1ccccc1 35519993 KLMJIIMZXRYRAN-ZHZULCJRSA-N 485.587 3.161 10 10 JGCE CCc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@](C)(C(=O)O)N[C@H]3c2cc(Br)ccc2O)cc1 252020909 YIRNOHVHXXNZFZ-SUWCGCSTSA-N 473.323 3.011 10 10 JGCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NC[C@H]4CCCO4)c4ccccc34)[C@H]21 1860345238 WKXZNXWFWMEELU-DWXRJYCRSA-N 458.562 3.474 10 10 JGCE C[C@@H]1CCc2c(sc(NC(=O)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c2C(N)=O)C1 1860747770 VMIGQMSCBLIJAA-GFCCVEGCSA-N 487.537 3.324 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873168209 MSTOQQHGEUMKNB-UHFFFAOYSA-N 497.603 3.337 10 10 JGCE Cc1cc(=NC(=O)CCN2C(=O)C(=Cc3cccc(Br)c3)SC2=S)[nH]o1 2297307231 VPBLRMKQICUPKH-UHFFFAOYSA-N 452.355 3.397 10 10 JGCE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NCCN2CCOCC2)cc1 2297471376 DHWHSTWBXDTXJT-UHFFFAOYSA-N 477.590 3.252 10 10 JGCE NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)cc1 2314828725 WPTABEXZFUHKFJ-UHFFFAOYSA-N 482.008 3.217 10 10 JGCE N=C1/C(=C\c2ccc(SCc3ccccc3)o2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12 13574672 DICLFRICWYKRNY-WMUNWQNWSA-N 495.586 3.440 10 10 JGCE COCCCNC(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c2ccccc21 103555709 AOAFKJJAUNZQTG-STZFKDTASA-N 488.544 3.077 10 10 JGCE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CC(=O)N3)cs1 1859573816 UHKWLZKIGJMQDW-UHFFFAOYSA-N 484.559 3.241 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 1862297579 LFPIJQAURWJZAT-HXUWFJFHSA-N 490.969 3.121 10 10 JGCE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864010286 RHIRCXVOGRZYTQ-NRFANRHFSA-N 461.522 3.130 10 10 JGCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2 1864013494 BXSNCWILPPHTFN-QFIPXVFZSA-N 497.640 3.344 10 10 JGCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2 1864014642 ZMJXPAOCVKNZOY-NRFANRHFSA-N 485.629 3.200 10 10 JGCE CC[C@@H](NC(=O)c1cc(C)n(-c2ccccc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868761066 XJYRHFRKQGFTCG-HSZRJFAPSA-N 461.566 3.047 10 10 JGCE CCCCCOC(=O)COc1cn(CC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870419163 QAJWCMOJWVRAEO-UHFFFAOYSA-N 471.598 3.311 10 10 JGCE CC(C)SC1=NSC2=NC(=O)C(=Cc3ccc(OS(C)(=O)=O)c(Cl)c3)C(=N)N21 2297341087 SWSCTWCGTPTSDE-UHFFFAOYSA-N 458.974 3.397 10 10 JGCE COc1ccccc1C(=O)NN1C(=O)C(=Cc2cccc(OCCC(=O)O)c2)SC1=S 2314930554 FTWUWQXHGYHYJS-UHFFFAOYSA-N 458.517 3.095 10 10 JGCE COc1cc(/C=C2\C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)ccc1OCc1ccccc1F 20356629 FYWUTUKDRKXSBN-JPXJQDSKSA-N 495.536 3.322 10 10 JGCE CCN(CC)c1ccc(CN(C[C@H](O)COc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 40316100 IHLQQTPTJFGCSK-PKTZIBPZSA-N 464.603 3.101 10 10 JGCE COc1ccc(C2=NN(C(=O)CN3C(=O)CSC3=O)[C@H](c3ccc(N(C)C)cc3)C2)cc1 72413257 FGSUTMVQBCIGRF-FQEVSTJZSA-N 452.536 3.134 10 10 JGCE CC(=O)[C@@H]1CC(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)=NN1c1ccccc1 1526004207 YKPXPBQCFVVQNF-SRGWNRLKSA-N 452.530 3.279 10 10 JGCE COc1ccc(N2CCOCC2)cc1NC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O 1858033626 VZALLZZWIKWXPO-NRFANRHFSA-N 451.523 3.181 10 10 JGCE CCOC(=O)c1c(NC(=O)C(=O)NCCCN(C)C)sc(C)c1-c1ccc(OCC)cc1 1860762946 XQLBHKMPZLXPNV-UHFFFAOYSA-N 461.584 3.305 10 10 JGCE CCCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC)[C@H]1c1ccc(O)c(O)c1 1864022247 LAZHSYOMVMXJPB-CQSZACIVSA-N 454.449 3.334 10 10 JGCE C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867348039 HSZXMTRJMKKNNQ-FDDCHVKYSA-N 467.570 3.123 10 10 JGCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2cc([N+](=O)[O-])ccc2O)N3)CC1 14475895 MEBSMPWSDCJTFW-YZZKKUAISA-N 470.551 3.063 10 10 JGCE CO[C@@H]1c2cc3c(c(O)c2-c2c(cc4cc(C)[nH]c(=O)c4c2O)[C@H]1O)C(=O)c1ccc(C)c(O)c1C3=O 15202988 AYAYSZMHAWZBCX-SHQCIBLASA-N 499.475 3.439 10 10 JGCE biogenic CCNc1cc(N2CCC[C@@H](CCC(=O)NCc3ccc(N4CCOCC4)cc3)C2)ncn1 65245121 LJIQVKXAYUKWBJ-NRFANRHFSA-N 452.603 3.058 10 10 JGCE COc1ccc(C2=NN(C3=NC(=O)[C@H](CC(=O)O)S3)[C@@H](c3ccc(N(C)C)cc3)C2)cc1 72413240 CBISAAGOMJFMKM-UXHICEINSA-N 452.536 3.385 10 10 JGCE COc1cccc([C@@H]2N[C@](Cc3ccccc3)(C(=O)O)[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]32)c1O 248088919 GBKQSNIFEMMNLR-DHMIZTNRSA-N 486.524 3.225 10 10 JGCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccc(F)cc1)[C@@H]2c1ccc(O)c(O)c1 1864023128 URBNSFRKILDNRW-MRXNPFEDSA-N 492.429 3.483 10 10 JGCE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cccnc1 1865391234 LFGDXUZLEMRABH-HSZRJFAPSA-N 488.592 3.049 10 10 JGCE COC(=O)COc1cn(Cc2ccccc2C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870447434 POWVQTCHNWAONC-UHFFFAOYSA-N 491.588 3.088 10 10 JGCE CC(=O)NCCN1C(=O)C(N[C@H]2CCCC[C@@H]2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170250 SFGASONTTDHYPW-SBUREZEXSA-N 462.594 3.478 10 10 JGCE O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)C1=Cc1c[nH]c2ccc(Br)cc12 2294229484 YSAGLANGOJTLML-UHFFFAOYSA-N 470.304 3.460 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccccc4)c(OC)c3)C(=N)N21 2297345333 NMQWRKJCLIKFIP-UHFFFAOYSA-N 484.559 3.286 10 10 JGCE C[C@H](NC(=O)CCN1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S)C(=O)O 2314827728 LGSYAPOMXGDIJX-HNNXBMFYSA-N 470.572 3.446 10 10 JGCE COc1ccc(CN(C)C(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1OC 10878674 DLQCCEPUQGXSJZ-UHFFFAOYSA-N 473.481 3.295 10 10 JGCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)Nc1ccc(C(=O)OC)cc1 205947035 VMVCQXBVEFWKLH-DEDYPNTBSA-N 452.423 3.033 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(C(=O)c4ccc(Br)cc4)C3)CC2)cc1 1858361604 NJXMCLUHDFXDML-GOSISDBHSA-N 472.383 3.269 10 10 JGCE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864008381 JGNALJHRWCEWKW-LJQANCHMSA-N 454.914 3.465 10 10 JGCE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864010691 ASKNLCVOTQGSEQ-JOCHJYFZSA-N 496.539 3.026 10 10 JGCE CCCC[C@@H](NC(=O)c1cc(-c2cccnc2)[nH]n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868978354 DIQXQBCPTIHEJA-JOCHJYFZSA-N 476.581 3.118 10 10 JGCE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccncc4)n(-c4ccccc4Cl)[nH]3)CC2)cc1 1869969849 VNNWUWJDXMQFOG-UHFFFAOYSA-N 489.967 3.325 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCCC(C)C)[nH]c(=Nc4cccc([N+](=O)[O-])c4)[nH]3)CC2)cc1 1871519388 SDLJYYGZMADLMG-UHFFFAOYSA-N 492.584 3.160 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCc4ccncc4)[nH]c(=Nc4cccc(C)c4C)[nH]3)CC2)cc1 1871592006 WBXGNENURUUJSD-UHFFFAOYSA-N 496.619 3.418 10 10 JGCE COCCCn1c(C(=O)N2CCCCC2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873559350 SFLOROGTZVDFHA-UHFFFAOYSA-N 492.624 3.429 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccc(F)cc4)cc3)C(=N)N21 2297345756 ZASUJNICIOPNEH-UHFFFAOYSA-N 472.523 3.416 10 10 JGCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 23699422 RGKCZPFVRJTZSO-FQEVSTJZSA-N 492.041 3.236 10 10 JGCE C[C@@H]1Cc2cc(/C=C3/C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C(F)(F)F)ccc2O1 103728315 QMKIPXMXSZXUOT-HPUUJOOBSA-N 451.426 3.006 10 10 JGCE CN(C)c1cccc(NC(=O)c2ccc(N3CCN(C(=O)C(F)(F)F)CC3)c([N+](=O)[O-])c2)c1 1860894736 JCQKOHHLWNZKKR-UHFFFAOYSA-N 465.432 3.124 10 10 JGCE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NC2CCCC2)=C(N)O3)cc1 1864022954 SMKCFNASOVSGMK-FQEVSTJZSA-N 476.533 3.260 10 10 JGCE CCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(F)c2)[nH]1 1871545301 OQFVNWWQHAPWKG-UHFFFAOYSA-N 451.550 3.145 10 10 JGCE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCCCCCO)ncnc21 1875201912 BFJDWIVWRJEISE-UHFFFAOYSA-N 480.613 3.387 10 10 JGCE Cc1cccn2c(=O)c(C=C3SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(NCCO)nc12 2053511213 JXJMLGXKXONFJJ-HNNXBMFYSA-N 466.588 3.370 10 10 JGCE Cc1ccc2nc(N3CCOCC3)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 2314414244 UAPVUOKQAQGIEA-UHFFFAOYSA-N 496.589 3.380 10 10 JGCE O=C(O)CNC(=O)CCCCCN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S 2314831343 IXMMJUNYHOHKDC-UHFFFAOYSA-N 487.397 3.117 10 10 JGCE CCN(CC)c1ccc(C=c2sc3nc(CCc4ccc(OC)c(OC)c4)nn3c2=O)cc1 2326208191 RNMVPSVVUWHPAF-UHFFFAOYSA-N 464.591 3.347 10 10 JGCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3cccc(Cl)c3)cc2)cc1 1858956291 CKAGODYGUWLUFB-UHFFFAOYSA-N 459.911 3.330 10 10 JGCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3ccc(-n4cccc4)cc3)cc2)cc1 1858957449 AALNRWSJSDDIJN-UHFFFAOYSA-N 490.541 3.467 10 10 JGCE CCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1 1864016924 AJACSQNRKRBAQL-NRFANRHFSA-N 478.549 3.465 10 10 JGCE CO[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@@H]1NC(=O)OC(C)(C)C 2122657686 UZZWCKAUDDNLKP-AZUAARDMSA-N 462.591 3.290 10 10 JGCE Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(I)c3)C2=O)c1C 2293571210 ZMLFPUMEXXYUEF-UHFFFAOYSA-N 462.243 3.280 10 10 JGCE COc1cccc([C@@H]2N[C@](Cc3ccccc3)(C(=O)O)[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@@H]23)c1O 248088927 GBKQSNIFEMMNLR-FZVPRWPTSA-N 486.524 3.225 10 10 JGCE CC(=O)N1CC[C@H](CN(C)c2nnc([C@H]3CCCCO3)n2Cc2ccc(N(C)C)c(F)c2)C1 1690791098 VMACNKSOWJQMJG-DENIHFKCSA-N 458.582 3.078 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)N4CCC[C@H](C)C4)c4ccccn34)CC2)cc1 1858224413 VNBBUHREEHXWNI-IBGZPJMESA-N 461.566 3.177 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cc(C)n(-c4ccccc4)n3)C(C)C)CC2)cc1 1868758559 MEKJTQHVTURTBO-VWLOTQADSA-N 475.593 3.293 10 10 JGCE CC[C@@H](c1ccc(OC)cc1O)n1nc(C(F)(F)F)c(C(N)=O)c1I 2079845476 SKVMUFJXJLHUOC-VIFPVBQESA-N 469.201 3.319 10 10 JGCE COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c1C 95614267 XOXRVEOTGMWZFC-ROQGJMCKSA-N 491.982 3.377 10 10 JGCE O=C(O)CCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(F)cc1 586203399 SKYQJIZARXJVPF-UHFFFAOYSA-N 453.447 3.271 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCN(C(=O)CCCOc4ccccc4)C3)CC2)cc1 1858375506 RLXYISIXZZPJFC-NRFANRHFSA-N 451.567 3.052 10 10 JGCE Cc1ccc(O)c(CNCCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c1 1860713919 UWUJYKXUJCXAFX-UHFFFAOYSA-N 458.540 3.225 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C3CCN(Cc4ccccc4Cl)CC3)CC2)cc1 1861974194 UCCNIURHCUILQX-HXUWFJFHSA-N 499.055 3.414 10 10 JGCE CC[C@@](C)(NC(=O)COc1cccc(C)c1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862192006 GXSIUOOVVZXWJB-AREMUKBSSA-N 453.583 3.325 10 10 JGCE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864019705 PMUVHDAQPBNPNN-QHCPKHFHSA-N 497.555 3.311 10 10 JGCE CCC1=NN2C(=N)C(=Cc3ccc(OS(=O)(=O)c4ccccc4[N+](=O)[O-])cc3)C(=O)N=C2S1 2296660307 WJEFXTHXBLQTJR-UHFFFAOYSA-N 485.503 3.392 10 10 JGCE O=C(CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)NC1=NCCS1 2297334432 KOVOTTFNMAEFRF-UHFFFAOYSA-N 456.412 3.259 10 10 JGCE COc1ccc(OC)c(N2C(=O)C(=C3C(=O)N([C@H](C)C(=O)O)c4ccccc43)SC2=S)c1 2313621587 XDKMMDKVCYHKCC-LLVKDONJSA-N 470.528 3.300 10 10 JGCE CCCN1C(=O)/C(=C/c2c(N3C[C@H](C)O[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 33437815 NHGOWMTUAVTROQ-LAHQVWKISA-N 458.609 3.228 10 10 JGCE COCCNC(=O)Cn1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)c2ccccc21 33932864 PRHYRHPRAMGDFL-MOSHPQCFSA-N 460.490 3.219 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4ccc5c(c4)OCO5)c4ccccn34)CC2)cc1 1858239133 UCXUNGJIGWRWQF-UHFFFAOYSA-N 499.527 3.286 10 10 JGCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)CCCOc3ccccc3)cc2)cc1 1859005104 JICBKMOFSPFVSH-UHFFFAOYSA-N 497.573 3.264 10 10 JGCE CCOC(=O)c1c(NC(=O)C(=O)NC[C@@H](C)NC(C)=O)sc(C)c1-c1ccc(Cl)cc1 1860758543 MZGJRJAJSCLLCT-LLVKDONJSA-N 465.959 3.133 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3OC)CC2)cc1 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CCC[C@H](NC(=O)c1ccc(Cl)nn1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867270601 QIIYQEZFUSLJGN-KRWDZBQOSA-N 462.893 3.443 10 10 JGCE CCCCN(C)c1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCOC 1873557920 BACVCKLCKMZZHO-UHFFFAOYSA-N 480.613 3.285 10 10 JGCE CO[C@@H](c1cc(O)c(O)c(O)c1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952306368 LDHVJUURNOCROY-GMAHTHKFSA-N 465.458 3.483 10 10 JGCE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@@H]1C[C@H](N)CCN1C(=O)OC(C)(C)C 1952401176 ISFQGJIBIJXQET-ZACQAIPSSA-N 451.564 3.260 10 10 JGCE O=C(Cc1ccc(O)c(O)c1)Nc1cc(I)cc(I)c1 1963565986 UDFFDQKOBVBGII-UHFFFAOYSA-N 495.054 3.488 10 10 JGCE C[C@@H]1[C@@H](NC(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 2200966784 JTLANEOOFDXMCG-PVAVHDDUSA-N 479.574 3.048 10 10 JGCE Cc1cccc(OCC2=NN3C(=N)C(=Cc4ccc(OS(C)(=O)=O)cc4)C(=O)N=C3S2)c1 2297365559 NGKGPPUUYQLIOB-UHFFFAOYSA-N 470.532 3.032 10 10 JGCE COc1cc(C=C2SC(N3CCN(c4ccccc4)CC3)=NC2=O)c([N+](=O)[O-])cc1OC 2297480162 XQBQLQVNGSGNTJ-UHFFFAOYSA-N 454.508 3.405 10 10 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CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCc1cnn(Cc2ccccc2)c1 2200957589 CUBKSHUFJIYCRO-FQEVSTJZSA-N 466.538 3.095 10 10 JGCE Cc1c(NC=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c(=O)n(-c2ccccc2)n1C 2296933599 WRHQXZLPICRBEK-UHFFFAOYSA-N 485.422 3.082 10 10 JGCE CCC1=NN2C(=N)C(=Cc3ccc(OCc4cc(=O)n5nc(C)sc5n4)cc3)C(=O)N=C2S1 2297350804 YKYAFWLDGAXOFL-UHFFFAOYSA-N 479.547 3.068 10 10 JGCE N=C1C(=Cc2ccc(OCCCOc3ccccc3)cc2)C(=O)N=C2SC(N3CCOCC3)=NN12 2297352678 LKGXGLSWAPFFGX-UHFFFAOYSA-N 491.573 3.443 10 10 JGCE CCCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc5c(c4)CC(=O)N5C)n3)cc21 11857992 PHDZWBVAPBYIIY-UHFFFAOYSA-N 498.586 3.265 10 10 JGCE CCn1c(NCc2ccc(F)cc2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 40066507 KYXWHKKMNDFMSS-IUXPMGMMSA-N 486.550 3.085 10 10 JGCE CCN(CC)C(=O)COc1c(Br)cc(/C=C2/SC(=S)NC2=O)cc1OC 40942112 IKQLFGVFNJIWDJ-MDWZMJQESA-N 459.387 3.194 10 10 JGCE CC(=O)N1CCC[C@@H](CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1 1524967555 AHYGAVNRUCPZSD-VUVCFOEZSA-N 451.639 3.104 10 10 JGCE 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466.513 3.265 10 10 JGCE CCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864012917 MCUHTSGEPPWHCJ-HXUWFJFHSA-N 463.538 3.242 10 10 JGCE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864013120 QKECPUSMVVHLMA-JOCHJYFZSA-N 498.543 3.037 10 10 JGCE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865035615 XNHXPXCRZKEPOY-OAQYLSRUSA-N 478.524 3.361 10 10 JGCE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)C(=O)N(Cc3ccc5c(c3)OCO5)C4=O)CC2)cc1 1866303579 CIPSJQXAFKFEAO-UHFFFAOYSA-N 499.523 3.183 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)[C@@H]3C[C@@H]3c3ccccc3)CC2)cc1 1868901841 FRGSEZHLZFLEEF-SMIHKQSGSA-N 467.635 3.385 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCc4ccncc4)[nH]c(=Nc4ccccc4C)[nH]3)CC2)cc1 1871480409 UJTRNWSRQURJSY-UHFFFAOYSA-N 482.592 3.110 10 10 JGCE COc1ccc(CNC(=O)c2cc3c(N4CCN(c5ccc(OC)cc5)CC4)ncnc3n2C)cc1 1873567367 LFMZTTCGDVJJHD-UHFFFAOYSA-N 486.576 3.242 10 10 JGCE CC(C)[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200953045 MNDAFILEWCXEQU-DLBZAZTESA-N 481.590 3.199 10 10 JGCE O=C(O)c1ccc(N2C(=O)C[C@H](N3C(=O)C(=CC=Cc4ccccc4)SC3=S)C2=O)cc1 2297460513 WEEACUNPOHWAFM-KRWDZBQOSA-N 464.524 3.474 10 10 JGCE COCCCN1C(=O)/C(=C\c2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC1=S 102477594 AZBJKLPJCRNAGG-HMMYKYKNSA-N 492.626 3.495 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)C[C@@H]3CCC[C@H]3NC(=O)OC(C)(C)C)cc2)CC1 1567591319 FEAOPCWTGVXQPX-RBBKRZOGSA-N 458.603 3.055 10 10 JGCE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864013271 URIBNANPBTXRKS-OAQYLSRUSA-N 487.516 3.235 10 10 JGCE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc(C(C)(C)C)cc2)N2CCCCC2)cc1 1867865416 COMPDZWSJFRLLH-CLJLJLNGSA-N 494.680 3.484 10 10 JGCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H]3CC(=O)N(c4n[nH]c5ccccc45)C3)cccc21 1874180820 SYQLEJVJAGGALF-AWEZNQCLSA-N 450.454 3.330 10 10 JGCE CC[C@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccccc3O)C2=O)c1)C(=O)O 2314926202 DELSAPAVNQZFRU-INIZCTEOSA-N 458.517 3.180 10 10 JGCE CC[C@@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3cccc(O)c3)C2=O)c1)C(=O)O 2314926344 GZCJRDAKXXNDNZ-MRXNPFEDSA-N 458.517 3.180 10 10 JGCE COc1ccc(N2CCN(C(=O)CCc3nc4ncccc4c(=O)n3Cc3ccccc3)CC2)cc1 9407568 NZSAUBYJGVZTQH-UHFFFAOYSA-N 483.572 3.130 10 10 JGCE CCCCCN1C(=O)/C(=C\c2c(N3CCC(C(N)=O)CC3)nc3c(C)cccn3c2=O)SC1=S 33350062 DGJVGSFKAHVSDD-NBVRZTHBSA-N 499.662 3.096 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(c4nc5ccccc5nc4OC)C3)CC2)cc1 86077215 MEJRYHLTPSCFCI-LJQANCHMSA-N 461.566 3.212 10 10 JGCE Cc1cccc(OCCN(c2cccc3c2C(=O)c2ccccc2C3=O)S(=O)(=O)N(C)C)c1 586233229 DICXXDNHOSUEMU-UHFFFAOYSA-N 464.543 3.462 10 10 JGCE CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(I)c1OCC 1084206978 ROXBPBHXOGBYAD-MDWZMJQESA-N 460.293 3.195 10 10 JGCE COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3CC(C)C)[C@H]2c2ccc(O)c(O)c2)cc1 1864009474 IEADXUUWMSKWQI-HSZRJFAPSA-N 492.576 3.321 10 10 JGCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N(CC)CCc1ccncc1)[C@@H]2c1ccc(O)c(O)c1 1865034928 HTVMLMBPRQNNJC-JOCHJYFZSA-N 491.592 3.448 10 10 JGCE COCCN1[C@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(C(C)C)n2)C[C@H]1C 1869092923 JVRNOMUWKORXRX-FGZHOGPDSA-N 482.673 3.481 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4C)cn3C[C@H](C)O)CC2)cc1 1870627969 NEWSKLRXUCWURY-QFIPXVFZSA-N 477.605 3.447 10 10 JGCE CC(C)Oc1ccc2nnc(CCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n2n1 1874180643 IQLOQUXHUIKTFI-UHFFFAOYSA-N 455.474 3.258 10 10 JGCE COC(=O)COc1ccc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC 2294244522 SYKBYTXZKVXDBX-UHFFFAOYSA-N 495.340 3.385 10 10 JGCE COc1ccc(C=C2SC(=S)N(N[C@H]3OC(=O)c4c3ccc(OC)c4OC)C2=O)c(OC)c1 2314600300 YXAODTOCZKWDBR-IBGZPJMESA-N 488.543 3.296 10 10 JGCE CSc1ccc(C=C2SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 2323840401 YGHNWVCUIOQNPI-UHFFFAOYSA-N 450.632 3.500 10 10 JGCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@H]3C=CC[C@H]32)ccc1O 14459101 HREIMUWMVARQNM-GLDPYIMESA-N 455.580 3.163 10 10 JGCE COc1cccc(C(=O)NN2C(=O)/C(=C\c3ccccc3OCCC(=O)O)SC2=S)c1 16911490 BVJFMAUBNUBMTD-SFQUDFHCSA-N 458.517 3.095 10 10 JGCE O=C1N=C(N2CCN(C3=NC(=O)/C(=C\c4ccccc4O)S3)CC2)S/C1=C/c1ccccc1O 34878467 PVZUSEVTCAIUJH-IWGRKNQJSA-N 492.582 3.356 10 10 JGCE COc1ccc(Br)cc1S(=O)(=O)Nc1nc(-c2cccc(-n3cnnn3)c2)cs1 727249346 VTDYPWLSZYHRAV-UHFFFAOYSA-N 493.368 3.358 10 10 JGCE CC(=O)N1CCCN(c2nnc([C@H]3CCCCO3)n2CCCSc2nccs2)CC1 1690821226 IFJPTLSIPIMSDG-QGZVFWFLSA-N 450.634 3.217 10 10 JGCE CCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1864011508 ISZBNIIDUGRUCN-FQEVSTJZSA-N 452.486 3.011 10 10 JGCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864013873 HWAVCZCNZJAHPK-OAQYLSRUSA-N 477.565 3.309 10 10 JGCE COc1ccc(N2CCN(c3cc(N4CCN(C(C)=O)CC4)nc(Cc4ccccc4)n3)CC2)cc1 1867943642 SOOBDTGLDRDIKF-UHFFFAOYSA-N 486.620 3.071 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3cc(C4CC4)on3)CC2)cc1 1868973611 HHTHIZRJHDUCCS-DEOSSOPVSA-N 492.551 3.390 10 10 JGCE CC1=NN(c2ccc(I)cc2)C(=O)C1=CNC(=O)Nc1ccc(C(=O)O)cc1 2297534429 ZEOHWAHIYODPFE-UHFFFAOYSA-N 490.257 3.418 10 10 JGCE NC(=O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S 2323813760 ZFFLFZDOSIBJJL-QGZVFWFLSA-N 456.545 3.186 10 10 JGCE CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)ccc1O[C@H](C)C(=O)O 2891866 JDPPOUXPLXOODT-CRRKTRLDSA-N 468.531 3.331 10 10 JGCE COc1ccc(N2CCN(c3ccnc(SCC(=O)NCCc4ccccc4)n3)CC2)cc1 33309959 SRFISJUIJWABNR-UHFFFAOYSA-N 463.607 3.263 10 10 JGCE NS(=O)(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(NC(=O)Cc4ccccc4)C3=O)o2)cc1 33568181 VQBJCWAUCMRIJG-UYRXBGFRSA-N 499.595 3.069 10 10 JGCE Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCc3ccc(N4CCNC(=O)C4)cc3)c12 107798040 FKADCVRHQOSDIM-UHFFFAOYSA-N 460.582 3.238 10 10 JGCE CCN(CC)CCN1C(=O)C(NCCCOC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165151 DXQAFQLIEYLWIA-UHFFFAOYSA-N 452.599 3.142 10 10 JGCE O=C(CCCNS(=O)(=O)c1ccc(F)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874178963 DLNPYWMPJWYGAU-UHFFFAOYSA-N 466.490 3.298 10 10 JGCE COC(=O)c1ccc(C=C2SC(=S)N(CCCC(=O)Nc3nnc(C)s3)C2=O)cc1 2297349766 YJXIFSJMQBGVTC-UHFFFAOYSA-N 462.578 3.253 10 10 JGCE Cc1ccc(C=C2SC(=S)N(CCC(=O)N3CCN(CCc4ccccn4)CC3)C2=O)cc1 2314627625 MIUDIVAAWVKUGX-UHFFFAOYSA-N 480.659 3.368 10 10 JGCE COc1cc(C=C2SC(=S)N([C@H](C)C(=O)Nc3ccc(O)cc3)C2=O)cc(OC)c1O 2314836538 GLZXCZGMYTYTDJ-LLVKDONJSA-N 460.533 3.343 10 10 JGCE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3cccc(OC)c3)c3ccco3)CC2)cc1 38598285 BJUYSNSSTVLBHY-QHCPKHFHSA-N 471.579 3.139 10 10 JGCE CCn1c(N2C[C@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O 39989791 ICGONOKQUGBNES-SDKMPEEESA-N 488.635 3.207 10 10 JGCE CC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCSc2nccs2)CC1 1540991012 RLGNHWKWYFDRQF-UHFFFAOYSA-N 478.594 3.455 10 10 JGCE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCc3ccc(O)c(O)c3)cc2)cc1 1631510480 QSXWQDBAKALBHU-UHFFFAOYSA-N 454.504 3.074 10 10 JGCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCc1ccccc1OC)[C@@H]2c1ccc(O)c(O)c1 1864010081 OUMHDMWRBWJPOC-OAQYLSRUSA-N 464.522 3.032 10 10 JGCE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@@H]1c1ccc(O)c(O)c1 1864010268 QYVPTMYYTNIWCR-FQEVSTJZSA-N 458.559 3.030 10 10 JGCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3cccc(Cl)c3)CC2)cc1 1865089893 IJVFIQBJLMXTPD-QFIPXVFZSA-N 493.995 3.434 10 10 JGCE Cc1nnc([C@@H](CC(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc2)o1 1868157055 PDOKBTRNNYYQNJ-NRFANRHFSA-N 494.507 3.430 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3nc(C4CC4)n4ccccc34)C(C)C)CC2)cc1 1868775954 YWHPCNFOPLTMMK-QHCPKHFHSA-N 475.593 3.324 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@H]3CCCO3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873166211 GWXVBRPLZWAQDT-HSZRJFAPSA-N 464.610 3.284 10 10 JGCE COCCN1C(=O)C(=Cc2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 2296706715 LHOFMWOBLOATAM-HUUCEWRRSA-N 458.609 3.024 10 10 JGCE COc1ccccc1C(=O)NN1C(=O)C(=Cc2cccc(O[C@@H](C)C(=O)O)c2)SC1=S 2314930736 ILTQRVPQEFIRDD-LBPRGKRZSA-N 458.517 3.093 10 10 JGCE COc1cc([C@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O 14468535 BIMZDKPLJPHIAK-WZOHSFFVSA-N 484.574 3.468 10 10 JGCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@@H]3C=CC[C@@H]32)cc1OC 14479366 FPVZVSWOERXIMH-RNHFSVANSA-N 469.607 3.466 10 10 JGCE Cc1cccc(C)c1OCCOc1ccc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1 20207719 JEFNHZPQRJCPSK-HORDIMCOSA-N 498.586 3.383 10 10 JGCE Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2c(C)nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)C1=O 1084032074 UBJYXWISGHDAFJ-BOPFTXTBSA-N 490.432 3.280 10 10 JGCE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)c(O)c([N+](=O)[O-])c1 1084332255 BRJRBHKDWOFZMQ-UITAMQMPSA-N 466.244 3.033 10 10 JGCE COc1ccc(N2CCN(C(=O)CNC(=O)[C@@H]3CCCN(Cc4ccccc4Cl)C3)CC2)cc1 1861994215 PKDXNLNIOANRMN-OAQYLSRUSA-N 485.028 3.026 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3cc4ccccc4n3C)CC2)cc1 1862075920 OWVAPJBEBRVVDC-QFIPXVFZSA-N 480.634 3.387 10 10 JGCE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864007999 ZKBDDMLGXQNYHQ-OAQYLSRUSA-N 458.474 3.196 10 10 JGCE Cc1ccc(CNC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3C)[C@H]2c2ccc(O)c(O)c2)cc1 1864015433 RCPIEBWTPQIGTF-MRXNPFEDSA-N 474.439 3.170 10 10 JGCE 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COc1ccc(/C=C2\SC(=S)N(CCC(=O)N[C@H](CO)Cc3ccccc3)C2=O)cc1 97575176 RXYGXRRRSVMUQS-HJHGFDQJSA-N 456.589 3.006 10 10 JGCE Cc1cc(CCNS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)c(C)n1-c1ccccc1 728291575 KEGYHINYXBRPLQ-UHFFFAOYSA-N 465.572 3.126 10 10 JGCE COc1ccc(N2CCN(CN3C(=O)N[C@@](C)(c4ccccc4Br)C3=O)CC2)cc1 915795616 DIPYKESQMKILHY-QFIPXVFZSA-N 473.371 3.004 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(F)c(Br)cc3F)cc2)CC1 1466883022 VYBSKDQCSPVRQY-UHFFFAOYSA-N 452.299 3.326 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 1861916485 SDIJRSGJOPLGPM-UHFFFAOYSA-N 460.918 3.114 10 10 JGCE CCc1nn(C)c2c1[C@@H](c1cccc(C)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865572059 QLFZPLAKPUJYGB-HSZRJFAPSA-N 487.604 3.343 10 10 JGCE O=C(C[C@H]1NC(=O)N(CCc2cccc(F)c2)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874016259 DLDXVFZHPMQVGB-OAQYLSRUSA-N 485.471 3.093 10 10 JGCE CN(C)c1ccc([C@H](CN)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)cc1 1881266953 RQQVAPDBDNZJQG-FQEVSTJZSA-N 465.639 3.104 10 10 JGCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCCC4)C3=O)c(N3CCN(C)CC3)nc12 2053493234 HOVQWWWEIFPSIZ-UHFFFAOYSA-N 483.663 3.289 10 10 JGCE CN(CCc1nc(=NCc2cc(Cl)cc(Br)c2O)[nH][nH]1)C(=O)OC(C)(C)C 2185283260 AGZNRTGDABTDAF-UHFFFAOYSA-N 460.760 3.370 10 10 JGCE CC(C)[C@H](CNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 2200953535 PLDVJPBPNIMAOX-IRXDYDNUSA-N 481.590 3.199 10 10 JGCE CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)c(OC)c3)C2=O)cc1 2220502 YMGAZZXHMLAKGP-BGARDKSCSA-N 452.463 3.339 10 10 JGCE COc1ccc(N2CCN(C(=O)c3csc(NS(=O)(=O)c4ccc(C)cc4)n3)CC2)cc1 12628388 HRTKUOMUZRWGAV-UHFFFAOYSA-N 472.592 3.223 10 10 JGCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(OC)cc1)C(=O)C1CCCC1 35963646 KBJGAWAJTYJPFP-XMMPIXPASA-N 466.582 3.377 10 10 JGCE CCNc1cc(N2CCC[C@H](CCC(=O)NCc3ccc(N4CCOCC4)cc3)C2)ncn1 65245120 LJIQVKXAYUKWBJ-OAQYLSRUSA-N 452.603 3.058 10 10 JGCE CN(C)c1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2C(=O)CN2C(=O)CSC2=O)cc1 72413323 UUDCZJNBDVULLA-IBGZPJMESA-N 467.507 3.034 10 10 JGCE CCN(CC)C(=O)COc1ccc(/C=C2\SC(=S)N(CCCC(=O)OC)C2=O)cc1 206862561 PXZXDVFLBZIKKE-LGMDPLHJSA-N 450.582 3.088 10 10 JGCE COc1ccc(N2CCN(C(=O)C[C@H]3CCOC4(CCN(C(=O)NC(C)C)CC4)C3)CC2)cc1 581786315 RHFBHSKTRSNSAI-OAQYLSRUSA-N 472.630 3.113 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)/C=C\c3ccc(C(=O)OC(C)(C)C)o3)cc2)CC1 1154275576 GXEWLSNYMMRKDZ-BENRWUELSA-N 453.539 3.233 10 10 JGCE CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)C)n3CCCSc3nccs3)C[C@@H]2C)CC1 1286886058 AKTMKNOKSBGMHV-PKOBYXMFSA-N 477.704 3.029 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3C[C@H](C)CCN3C(=O)OC(C)(C)C)cc2)CC1 1634074334 LYJHZHYJBZZOAJ-XMSQKQJNSA-N 458.603 3.007 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3cccc([N+](=O)[O-])c3C)CC2)cc1 1861911161 QWXLKDGNIZCGOF-OAQYLSRUSA-N 486.594 3.112 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3n[nH]c(C)c3-c3ccccc3)C(C)C)CC2)cc1 1869063344 OTGCFAYFCFVGAX-DEOSSOPVSA-N 475.593 3.497 10 10 JGCE Cc1nn(-c2ccccc2)c(C)c1C=CC(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 2040487358 BXLMKWXSRWCLLC-UHFFFAOYSA-N 450.564 3.342 10 10 JGCE CCOc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2293345719 KBGZYKXDXKOLSY-UHFFFAOYSA-N 488.499 3.499 10 10 JGCE CC[C@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3OC)C2=O)cc1)C(=O)O 2314929734 QXQNSTLXAMSPJE-INIZCTEOSA-N 472.544 3.483 10 10 JGCE Cc1c(N2C(=O)C(=Cc3cccc(OCC(=O)O)c3)SC2=S)c(=O)n(-c2ccccc2)n1C 2314930490 FAZOCRKVVJZVHA-UHFFFAOYSA-N 481.555 3.354 10 10 JGCE COc1ccc(N2CCN([C@@H](c3cccs3)[C@@H](C)NC(=O)C(=O)N3CCCCC3)CC2)cc1 9611883 UXPIKNOXRUWTBN-AUSIDOKSSA-N 470.639 3.137 10 10 JGCE CN(C)c1ccc(/C=C\CN2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)cc1 207938615 PFFNXXCXLLIERG-ARJAWSKDSA-N 462.573 3.027 10 10 JGCE COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(F)cc3)C2=O)c(C(=O)O)c1OC 210402846 HNAFBBJKCPSTSZ-ZROIWOOFSA-N 462.480 3.087 10 10 JGCE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@@H](C(=O)OC)C1 1705895405 FXGGIZIDRCACIP-HXUWFJFHSA-N 476.581 3.044 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)c3cc(C)[nH]n3)CC2)cc1 1868759839 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O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cc(Cl)cc(I)c1O 2313557594 HCACBWNVZRLOMN-UHFFFAOYSA-N 486.624 3.456 10 10 JGCE COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(N4CCCC4)o3)C(=O)NC2=S)cc1 1084192527 UPICPCRSQCSRMW-GDNBJRDFSA-N 476.352 3.482 10 10 JGCE O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCn2c3c(c4ccccc42)CCC[C@@H]31 1858183476 DGCLQAOCDFMKNP-QHCPKHFHSA-N 465.575 3.196 10 10 JGCE COC(=O)c1c(NC(=O)C(=O)Nc2ccc(C(N)=O)cc2)sc(C)c1-c1ccc(C)cc1 1860749253 ZWHLFZIMGAORJP-UHFFFAOYSA-N 451.504 3.495 10 10 JGCE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864008092 BMKLMIKAVSXTAB-NRFANRHFSA-N 498.967 3.481 10 10 JGCE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864009313 FAOJJOXJACMSRO-OAQYLSRUSA-N 489.557 3.102 10 10 JGCE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccco4)n(-c4ccc(C)cc4)[nH]3)CC2)cc1 1869970005 LPHJHQGXFBIURH-UHFFFAOYSA-N 458.522 3.178 10 10 JGCE CCN1C(=O)C(=Cc2nc3ccc(I)cc3c(=O)n2C)c2ccccc21 2296754849 IRRSMWWLUKUFJJ-UHFFFAOYSA-N 457.271 3.445 10 10 JGCE CCOC(=O)N1CCN(C(=O)CCCN2C(=O)C(=Cc3cccs3)SC2=S)CC1 2296881575 PHOKUZKXMOMPAA-UHFFFAOYSA-N 453.611 3.030 10 10 JGCE COc1ccc(C=C2SC(=S)N(CC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)cc1OC 2296885071 AJLBGRPAGSZHKW-UHFFFAOYSA-N 475.504 3.158 10 10 JGCE CC[C@H](C)[C@H](NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21)C(=O)O 2297718113 IMVWAJXNWCDNLY-GVHPLLPZSA-N 474.561 3.404 10 10 JGCE Cc1ccccc1N1C(=O)C(=C2C(=O)N(CN3CCOCC3)c3ccccc32)SC1=S 2313621425 KXOLKXCHVLHXJT-UHFFFAOYSA-N 451.573 3.407 10 10 JGCE Cc1ccccc1C=C1SC(=S)N(CCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O 2314831207 FXELNEDNFXGGOB-UHFFFAOYSA-N 475.617 3.263 10 10 JGCE CC(C)CCOC(=O)[C@@H](C)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326944855 RFIZTXRWTKMXDW-CYBMUJFWSA-N 476.576 3.057 10 10 JGCE COc1cc(/C=C2\SC(=S)N(CCCC(=O)NCCCCCC(=O)O)C2=O)cc(OC)c1O 15040476 PUZZVJPALWMGRN-LGMDPLHJSA-N 496.607 3.152 10 10 JGCE COc1ccc(N2CCN(C(=O)CCc3nnc(C(=O)Nc4ccccc4)s3)CC2)cc1 33061623 PDVOHIBUQOISCR-UHFFFAOYSA-N 451.552 3.080 10 10 JGCE COc1ccc(N2CCN(C(=O)CSc3nnc(CCc4nc5ccccc5[nH]4)o3)CC2)cc1 49448237 LNBUJZCQJRZFEC-UHFFFAOYSA-N 478.578 3.181 10 10 JGCE O=C(O)c1ccc(N2C(=O)C[C@@H](N3C(=O)/C(=C/c4ccc(F)cc4)SC3=S)C2=O)cc1 101974053 CZHJMOYBNJCFEJ-AVIKPIRVSA-N 456.476 3.057 10 10 JGCE COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCCC(=O)O)c(OC)c3)SC2=S)cc1 210446774 CKHYEZLAUKUZMP-PDGQHHTCSA-N 488.543 3.104 10 10 JGCE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864009969 HBCCYPWHZUPBCW-HXUWFJFHSA-N 498.967 3.347 10 10 JGCE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NC(C)C)[C@H]2c1ccc(O)c(O)c1 1864017098 FMGOJHFEFUYSKN-IBGZPJMESA-N 464.522 3.209 10 10 JGCE O=C(CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1865766924 WAKKRVYSYFJSGH-UHFFFAOYSA-N 483.436 3.385 10 10 JGCE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3ccccn3)CC2)n1 1867976484 KYKDUPOFPAEVBK-UHFFFAOYSA-N 473.625 3.486 10 10 JGCE O=C(CCCNC(=O)[C@@H]1COc2ccccc2O1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179169 RRQFEHDNRMJSTM-QFIPXVFZSA-N 470.481 3.137 10 10 JGCE CN(C(=O)OC(C)(C)C)C1(CNC(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)CC1 2200952749 VDILPGMVVYMRFS-INIZCTEOSA-N 479.574 3.049 10 10 JGCE COCCN1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2296541935 PXAZYCDKDNZZPM-IYBDPMFKSA-N 472.636 3.333 10 10 JGCE CCC[C@H](NC(=O)C=Cc1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328591388 NPGKVPMXEYSNGO-QHCPKHFHSA-N 466.538 3.250 10 10 JGCE O=C1/C(=C/c2c(N3CCOCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 33803765 RTUCOHPIMMSZBE-AQTBWJFISA-N 482.562 3.072 10 10 JGCE CN(C)c1ccc([C@@H]2N[C@](C(=O)O)(c3ccccc3)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)cc1 248026723 GYPKHLWJCWHIAJ-YIIHUHPWSA-N 469.541 3.178 10 10 JGCE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCC(C)CC2)cc1 1705884167 HZPLEKMEUYCKKB-QFIPXVFZSA-N 452.603 3.153 10 10 JGCE CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccc(N(C)C)cc3C)C[C@@H]2C)CC1 1760601780 FPUNBRIKMNWENZ-OFVILXPXSA-N 495.716 3.377 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3cc(Cl)c(OC)c(Cl)c3OC)CC2)cc1 1862058342 LNBDVAPMJWZCGY-CQSZACIVSA-N 496.391 3.486 10 10 JGCE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865025624 AUZZFLDRQJKDDD-NRFANRHFSA-N 464.497 3.107 10 10 JGCE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865026674 QWXAJNOXVWKSMW-NRFANRHFSA-N 464.497 3.107 10 10 JGCE COc1ncc[nH]c1=NS(=O)(=O)c1ccc(NC=C2C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1 2297321422 YRHFRYOGGFXTKK-UHFFFAOYSA-N 492.561 3.043 10 10 JGCE Cc1ccccc1NC(=O)[C@@H](C)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326941577 SKEQCDOVLAXWRH-CQSZACIVSA-N 495.582 3.415 10 10 JGCE CCOc1ccc(C(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1 10673610 ATTZXKSGVDIGRY-XDHOZWIPSA-N 456.545 3.445 10 10 JGCE Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c(C)n1-c1ccccc1 62694457 GSZRHBZZKCWHLO-UHFFFAOYSA-N 482.562 3.192 10 10 JGCE CN(C)c1ccc([C@@H]2N[C@](Cc3ccc(O)cc3)(C(=O)O)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]32)cc1 102482870 QGBKJUXWUGSMSC-IMBSWCNGSA-N 491.588 3.103 10 10 JGCE Cc1ccc(-c2cc(C(=O)NCc3ccc(N4CCNC(=O)C4)cc3)c3c(C)noc3n2)cc1 106186902 LKZFLYVQTFQPQC-UHFFFAOYSA-N 455.518 3.373 10 10 JGCE CCCn1ncc(N2CCC(C(=O)NCc3ccc(N4CCC(C)CC4)cc3)CC2)cc1=O 581778833 UUNWGABRWNXAEG-UHFFFAOYSA-N 451.615 3.422 10 10 JGCE C[C@H](NC(=O)Nc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1)C(=O)O 586611389 WSLYJIJSSBMTFW-ZDUSSCGKSA-N 457.442 3.309 10 10 JGCE CN(C)CCNC(=O)c1cccc(NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 586699469 RWXKHFOZOVVDRQ-UHFFFAOYSA-N 456.502 3.397 10 10 JGCE COc1cc(/C=C2\SC(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)=NC2=O)ccc1O 606629818 IZYUUVMFVUDCMC-UYRXBGFRSA-N 493.994 3.031 10 10 JGCE CN1C(=O)/C(=C/c2ccc(C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)cc2)SC1=S 606672207 YVNNYVRIAVJWHZ-LTUPMRBCSA-N 465.556 3.425 10 10 JGCE CC(C)[C@H](OC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)C(=O)N(C)C 729708099 XJHWZAKMPSDJJR-MBSJSRAVSA-N 485.425 3.306 10 10 JGCE CCOC(=O)COc1cccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 731131032 BLCKXOSKBZUQEW-UHFFFAOYSA-N 453.539 3.120 10 10 JGCE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1865027506 ILGZVAQUCICREW-HSZRJFAPSA-N 492.576 3.216 10 10 JGCE CC[C@@](C)(NC(=O)c1nc(C2CC2)n2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868777079 BCMOMWLNGOBDQY-HHHXNRCGSA-N 475.593 3.468 10 10 JGCE O=C(Nc1cc(Br)ccc1I)c1cc(O)c(O)c(O)c1 2188867493 BNTCEBASJGWZRG-UHFFFAOYSA-N 450.026 3.423 10 10 JGCE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NCc2ccc(S(N)(=O)=O)cc2)cc1 2313682849 MAHBQKSTAXGQAA-UHFFFAOYSA-N 494.548 3.296 10 10 JGCE CC[C@](C)(NC(=O)C=Cc1ccc(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328486421 UWUTXQJOMCQFIJ-MHZLTWQESA-N 481.593 3.359 10 10 JGCE Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c2C)c1C 20208068 WXOXPPJRNULFQE-WZBMNHFVSA-N 455.565 3.332 10 10 JGCE CC(=O)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCSc2nccs2)CC1 1705988098 QKIYCFQWXKZVPG-UHFFFAOYSA-N 496.460 3.343 10 10 JGCE CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CNCc1cc(Cl)ccc1O 1860721455 VLVOUBZBNNNDAO-UHFFFAOYSA-N 463.962 3.408 10 10 JGCE COCCc1nc(N2CCC(N3CCCCC3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1867953155 PMXVCSOOKNHMHZ-UHFFFAOYSA-N 494.684 3.455 10 10 JGCE Cc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)c(C)n1-c1ccccc1 2297345925 OEMDBADXHKSHHU-UHFFFAOYSA-N 455.565 3.494 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)CSc3nnc(C)n3-c3cc(C)ccc3C)CC2)cc1 742926768 ACELXPOIKGEZHQ-UHFFFAOYSA-N 494.665 3.232 10 10 JGCE CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N(C)C)c(F)c2)CC12CCCCC2 1540974486 ZGJLAASUHMFZLN-UHFFFAOYSA-N 499.635 3.041 10 10 JGCE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCc2cc(C)n(-c3ccccc3)c2C)c1 1631793877 JZKKFEWVFMOKTK-UHFFFAOYSA-N 453.564 3.282 10 10 JGCE Cc1sc(NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)nc1-c1ccc2c(c1)n(C)c(=O)n2C 1859573661 WBRVRSGQHXQHPO-UHFFFAOYSA-N 477.499 3.157 10 10 JGCE CCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864012916 MCUHTSGEPPWHCJ-FQEVSTJZSA-N 463.538 3.242 10 10 JGCE CCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 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3.274 10 10 JGCE COc1ccc(N2CCN(c3ncnc(Nc4cccc([N+](=O)[O-])c4)c3[N+](=O)[O-])CC2)cc1 40611198 CYNYWBYCVOIOOF-UHFFFAOYSA-N 451.443 3.372 10 10 JGCE CN(C)c1ccc([C@@H]2N[C@](Cc3ccccc3)(C(=O)O)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]23)cc1 107517694 UWDBRZVCTXSTJT-TVQWTUMOSA-N 475.589 3.397 10 10 JGCE COC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccccc1Cl 252671908 OOGWFYZIHAHLCZ-OAQYLSRUSA-N 467.978 3.128 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)CC2)cc1 742939427 DUDRHSPBWWSZRX-NHCUHLMSSA-N 499.631 3.069 10 10 JGCE CC[C@H](NC(=O)Cc1cc(-c2ccccc2)on1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868807626 YVTXKEFOQSKZGR-QHCPKHFHSA-N 462.550 3.136 10 10 JGCE CCC[C@@H](NC(=O)C[C@@H]1CC(=O)c2ccccc21)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869034257 XFAADTJXXPHEQO-YADARESESA-N 463.578 3.389 10 10 JGCE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(F)cc4)n(-c4ccccc4)[nH]3)CC2)cc1 1869970403 QGFAFDYSULGGEH-UHFFFAOYSA-N 472.524 3.416 10 10 JGCE COc1ccc(N2CCN(c3nc(NC(=O)c4cnccn4)n(-c4cccc(Cl)c4)n3)CC2)cc1 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1864011673 JUTWNXINQIGBOA-NRFANRHFSA-N 466.513 3.257 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864017114 FUSOQRKUFDINIG-GOSISDBHSA-N 454.914 3.330 10 10 JGCE COc1ccc(N2CCN(c3cc(N4CCC[C@H]4CO)nc(Cc4ccccc4)n3)CC2)cc1 1867947537 UEQLNLQPXNSRTC-QHCPKHFHSA-N 459.594 3.364 10 10 JGCE CCCCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCNC(C)=O)C1=O 1873170424 ZICORNUOHXFPBM-UHFFFAOYSA-N 480.609 3.107 10 10 JGCE COc1ccc(N2CCN(c3cnn(-c4ccc(OC)cc4)c(=O)c3Br)CC2)cc1 1873524821 MRZARHXMMHBLET-UHFFFAOYSA-N 471.355 3.339 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@@H](OCc2ccccc2)C1 2136253579 OAWNKWJQVCOZBF-UXHICEINSA-N 456.539 3.351 10 10 JGCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OC(=O)c4ccc(C)cc4)cc3)C(=O)N=C2S1 2297346083 BFJMJDWVCVGWJJ-UHFFFAOYSA-N 482.543 3.226 10 10 JGCE C[C@H]1[C@@H](N2C(=O)C(=Cc3cccc([N+](=O)[O-])c3)SC2=S)C(=O)N(c2ccccc2)N1C 2297449947 ZMNOZDDFSPGCQV-SCLBCKFNSA-N 454.533 3.447 10 10 JGCE 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NC(=O)COc1cn(CCCN2CCCC2=O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871115905 SSVPYZLUZZQBML-UHFFFAOYSA-N 489.576 3.081 10 10 JGCE O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 2269595312 JDZDGLWGASRWIT-JOCHJYFZSA-N 490.512 3.139 10 10 JGCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1O 2294095653 XUXBEDPJXYCIMP-UHFFFAOYSA-N 498.660 3.325 10 10 JGCE COCCCN1C(=O)C(=Cc2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)SC1=S 2296731198 CVRGFCXIJMSVAM-UHFFFAOYSA-N 490.651 3.468 10 10 JGCE NC(=O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 2314541145 GAVLKMKSXDZHSN-ZDUSSCGKSA-N 495.922 3.428 10 10 JGCE COCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(F)cc3)c3ccccc32)SC1=S 1824919 JHVCURFDVMVFQO-FMQUCBEESA-N 485.562 3.419 10 10 JGCE COc1cccc(C2=NN(C(=O)/C=C3\SC(=O)NC3=O)[C@@H](c3ccc(N(C)C)cc3)C2)c1 72413232 JIYIHDHQXHQJLQ-PQDCBLBRSA-N 450.520 3.306 10 10 JGCE Cc1cccc(OCCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)c1 96459831 QOAFUNZIVHHEPQ-IJFTXDGJSA-N 498.586 3.464 10 10 JGCE O=C(O)CCOc1cccc(/C=C2/SC(Nc3cc(C(=O)O)cc(C(=O)O)c3)=NC2=O)c1 210512975 FVUNLNCJHPDELH-FRKPEAEDSA-N 456.432 3.019 10 10 JGCE CC(=O)N1CC[C@H](CN(C)c2nnc(CC(C)C)n2Cc2ccc(N3CCSCC3)cc2)C1 1595992373 QOYRMWFRWKOOCC-JOCHJYFZSA-N 470.687 3.383 10 10 JGCE CCOc1cccc(C(=O)N[C@@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 1862049630 XGDLLHAOJMJVSP-QHCPKHFHSA-N 471.623 3.294 10 10 JGCE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865027608 ZSRKPGMRBNZGTP-JOCHJYFZSA-N 478.524 3.497 10 10 JGCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCCCC1)[C@@H]2c1ccc(O)c(O)c1 1865033763 HSXZRGJLFVYAKP-OAHLLOKOSA-N 466.460 3.430 10 10 JGCE CCc1nn(C)c2c1[C@H](c1cccc(F)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865552765 UJTDPUQNCILRDD-QFIPXVFZSA-N 491.567 3.174 10 10 JGCE CN(C)c1ccc([C@@H](NC(=O)c2cc(=O)c3c(Cl)ccc(O)c3[nH]2)c2nccn2C)cc1 1866553476 WNSCODPVUAEMKO-HXUWFJFHSA-N 451.914 3.206 10 10 JGCE CC[C@H](NC(=O)Cc1ccc2c(c1)OCCO2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866608890 SJNBMVAGAGSJOM-FQEVSTJZSA-N 484.508 3.309 10 10 JGCE Oc1c(Br)cc(Cl)cc1CNCCn1cc(I)cn1 1963623877 FRMIXKZYQSPBDP-UHFFFAOYSA-N 456.509 3.399 10 10 JGCE COC(=O)Cn1cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c2ccccc21 2294095466 RUTTWPHIRZXGIF-UHFFFAOYSA-N 482.290 3.243 10 10 JGCE CC(C)C[C@H](C(=O)O)N1C(=O)C(=C2C(=O)Nc3ccc(Br)cc32)SC1=S 2297315288 FMNMDSIAWIAMIN-LLVKDONJSA-N 455.355 3.472 10 10 JGCE COc1cc(C=C2C(=O)N(c3ccccc3)N=C2C)ccc1OC(=O)C[C@@H]1SC(=O)NC1=O 2314397320 ARBHXSWHQHSVQF-IBGZPJMESA-N 465.487 3.148 10 10 JGCE CCCCCN1C(=O)C(=Cc2c(N3CCOCC3)nc3c(C)cccn3c2=O)SC1=S 2314415017 UUJBBKGCEHPWDV-UHFFFAOYSA-N 458.609 3.231 10 10 JGCE COc1ccc(C=C2SC(=S)N(N[C@@H]3OC(=O)c4c3ccc(OC)c4OC)C2=O)cc1 2314600179 OZRCQZRCFIKXAW-GOSISDBHSA-N 458.517 3.287 10 10 JGCE CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)ccc1O[C@H](C)C(=O)O 2891938 DGTFBNPAADDCCX-GFQQVXNGSA-N 474.922 3.422 10 10 JGCE CCOc1cccc([C@H]2N[C@](CC(C)C)(C(=O)O)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)c1O 4126793 OJTGKXVLSPYBII-MAUQACMESA-N 466.534 3.106 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C(=N)N21 20206791 ADVOCLAREAFDCP-JMCWYTMQSA-N 455.565 3.414 10 10 JGCE CCS(=O)(=O)c1ccc(-c2cc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)no2)cc1 40325209 CWWMTXFKBMBBGO-JOCHJYFZSA-N 470.595 3.234 10 10 JGCE COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(N4CCCC4)o3)C2=O)cc1 59678649 GLSPKKIXDYFONU-GDNBJRDFSA-N 460.284 3.317 10 10 JGCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)NCCc1c[nH]c2ccc(OC)cc12 205945190 QFSCTGOZGBEFQT-BUVRLJJBSA-N 491.504 3.457 10 10 JGCE Cc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC(C)(C)C)=C(N)O2 1864008895 UTHYIZDVSCOOFI-OAQYLSRUSA-N 478.549 3.328 10 10 JGCE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCOc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864016328 MLOYMRWXSAPETQ-JOCHJYFZSA-N 498.539 3.388 10 10 JGCE CCc1nn(C)c2c1[C@H](c1ccccc1F)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865073075 QOVAXJKAGJWRSZ-QFIPXVFZSA-N 491.567 3.174 10 10 JGCE Cc1nc2ccc(C(=O)NCC(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2nc1C 1867681928 PKIUDRRZWIMCNE-SANMLTNESA-N 488.636 3.386 10 10 JGCE COCCn1c(C(=O)NCCC(C)C)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873590506 WEBAVVLVPZPSFK-UHFFFAOYSA-N 480.613 3.189 10 10 JGCE CCn1c(=O)c2cc(S(=O)(=O)Nc3nc(-c4ccc(F)cc4)cs3)ccc2n(CC)c1=O 1892215179 FOJRGJGBBFKHJW-UHFFFAOYSA-N 474.539 3.266 10 10 JGCE Cc1cc(Br)ccc1N1C(=O)C(=Cc2ccc(O[C@H](C)C(=O)O)cc2)C(=O)NC1=S 2313543559 MKSVUXMEKHXCFZ-GFCCVEGCSA-N 489.347 3.441 10 10 JGCE O=C(O)CCOc1ccccc1/C=C1/SC(=S)N(NS(=O)(=O)c2ccc(Cl)cc2)C1=O 16911544 JAASRFFQTUVBJS-LFIBNONCSA-N 498.991 3.288 10 10 JGCE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCCC(=O)O 16919705 IHTLQGURZVATJD-QGOAFFKASA-N 472.544 3.485 10 10 JGCE O=C(CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)N1CCN(c2ccccc2)CC1 33318014 JXVDAKICFWJHPT-RCCKNPSSSA-N 481.599 3.355 10 10 JGCE C[C@@H]1[C@H](N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)C(=O)N(c2ccccc2)N1C 34876064 ZMNOZDDFSPGCQV-MRLFETHQSA-N 454.533 3.447 10 10 JGCE NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C\c3ccco3)SC2=S)cc1 210748376 YYTIJMZEXGTEGX-GHRIWEEISA-N 479.605 3.327 10 10 JGCE CC1CCN(S(=O)(=O)c2cccc(C(=O)CNC[C@H](c3ccc(N(C)C)cc3)N(C)C)c2)CC1 257629354 FKSPMWZKHXLWCQ-RUZDIDTESA-N 486.682 3.248 10 10 JGCE Cc1ccc(CSC2=NC(=O)C3=c4ccccc4=N[C@H](c4ccc(N(C)C)cc4)N3N2)cc1 588226275 OAJIXANRYNJFQD-DEOSSOPVSA-N 455.587 3.137 10 10 JGCE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)C1 729306779 ZLFOBUJQDIXMAI-JOCHJYFZSA-N 483.638 3.194 10 10 JGCE CC(=O)c1oc2cc(C)ccc2c1CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1531993659 VPMODRGHKCIHHT-UHFFFAOYSA-N 454.548 3.038 10 10 JGCE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)CC1COC(C)(C)OC1 1705895695 PJRCQPJSZYDSFO-UHFFFAOYSA-N 492.624 3.490 10 10 JGCE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NC1CC1)[C@H]2c1ccc(O)c(O)c1 1864017968 ZLXAYMWVQLNQCV-FQEVSTJZSA-N 476.533 3.353 10 10 JGCE CCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1864018012 APMFOTOOYQCIQH-FQEVSTJZSA-N 466.513 3.265 10 10 JGCE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865025783 DRGRNAFYLZINOS-XMMPIXPASA-N 495.539 3.266 10 10 JGCE COc1ccc(N2CCN(c3cc(N4C[C@@H](C)O[C@H](C)C4)nc(-c4cccnc4)n3)CC2)cc1 1868002579 FPTLVPLKRFEEDM-WOJBJXKFSA-N 460.582 3.487 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N(Cc3ccccn3)C2=O)cc1 1873170651 KHFQDHDKDXLDKM-UHFFFAOYSA-N 469.589 3.453 10 10 JGCE CCN(CCc1ccncc1)c1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2C 1873543193 GMQMCCWHJXYGJV-UHFFFAOYSA-N 499.619 3.403 10 10 JGCE C[C@@H](Oc1ccccc1C=C1SC(=S)N(NS(=O)(=O)c2ccc(Cl)cc2)C1=O)C(=O)O 2314932639 XZJCNBRNIHEROS-LLVKDONJSA-N 498.991 3.287 10 10 JGCE O=C(O)c1ccc(N2C(=O)C[C@H](N3C(=O)/C(=C/c4ccc(F)cc4)SC3=S)C2=O)cc1 15050995 CZHJMOYBNJCFEJ-HVVQPJKBSA-N 456.476 3.057 10 10 JGCE O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 16384255 MMYHSSMNIWMEAA-ZROIWOOFSA-N 463.277 3.200 10 10 JGCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1cccs1 254611748 GFGFGQPNPQCFFK-JOCHJYFZSA-N 497.642 3.412 10 10 JGCE COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)c(C)c1 727244978 QBBSZMLQLZOIBS-UHFFFAOYSA-N 466.562 3.109 10 10 JGCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3ccc(C(=O)C(C)(C)C)cc3)cc2)CC1 1622026926 SCDLFFRXAVKCLI-UHFFFAOYSA-N 457.596 3.062 10 10 JGCE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccnc3)n2CCCSc2nccs2)C1 1722752572 RGYLUEGEWZYNJG-QGZVFWFLSA-N 457.629 3.284 10 10 JGCE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3ccccc3C(=O)OC)C2)sc2c1CCC2 1865924447 VFXAUGRBKRHWKD-ZDUSSCGKSA-N 456.520 3.192 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCOc3ccccc3)C(=O)N(CCN(C)C)C2=O)cc1 1873164848 VSNJOJVYLOYPRE-UHFFFAOYSA-N 472.589 3.404 10 10 JGCE CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200969360 HUFBKDIDYFXFKG-IRXDYDNUSA-N 479.574 3.049 10 10 JGCE COc1ccccc1C(=O)NN1C(=O)C(=Cc2ccc(O[C@H](C)C(=O)O)cc2)SC1=S 2314928893 DMWOXKZIAJLDCP-GFCCVEGCSA-N 458.517 3.093 10 10 JGCE CCOc1ccc(-c2ccc(=O)n([C@H](C)C(=O)N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 44392639 DZBDAHYTUXYQLU-LJQANCHMSA-N 462.550 3.227 10 10 JGCE CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)n2)c(F)c1 917870721 CTJCXGFIIIFPJV-UHFFFAOYSA-N 483.568 3.420 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)NCc4ccccc4F)n4ccccc34)CC2)cc1 1858223827 GQWOTQRWZZKPRF-UHFFFAOYSA-N 487.535 3.374 10 10 JGCE Cc1cccc(-n2nc(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)c(=O)cc2C)c1C 1866284209 SEGDGZKXBDESAA-DEOSSOPVSA-N 470.577 3.477 10 10 JGCE CCCCN(C)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CCOC 1873557173 KPGXTVHYXREPDX-UHFFFAOYSA-N 480.613 3.285 10 10 JGCE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCCn3ccnc3)ncnc21 1875201149 PLNADVQOCQAJQX-UHFFFAOYSA-N 488.596 3.121 10 10 JGCE CCOc1c(I)cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OC 2294093878 ZTFQVPWPPICQMI-UHFFFAOYSA-N 492.269 3.365 10 10 JGCE O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1 2297329095 QGBWVESLDVBJKO-UHFFFAOYSA-N 462.487 3.066 10 10 JGCE COC(=O)c1cccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)o2)c1C 2313556292 UVHVMWKQGDPAPM-UHFFFAOYSA-N 474.425 3.437 10 10 JGCE CCCCCCOC(=O)CN1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326944781 WZSOKZGWPXVMML-UHFFFAOYSA-N 476.576 3.203 10 10 JGCE O=C(O)CNC(=O)CCCCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 15044632 USIQEZMKXGIFGN-UVTDQMKNSA-N 471.398 3.412 10 10 JGCE O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCc1ccc(N2CCC(O)CC2)c(F)c1 71939593 FKJFMBVBXPROSY-UHFFFAOYSA-N 454.329 3.140 10 10 JGCE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864011142 ZYQQZMQEXDNQNJ-JOCHJYFZSA-N 478.549 3.149 10 10 JGCE CN(C)c1ccc([C@@H](NC(=O)c2c[nH]c3ccc(N4CCCC4)cc3c2=O)c2nccn2C)cc1 1866469727 XXTWRSCKUSAGHH-XMMPIXPASA-N 470.577 3.447 10 10 JGCE COc1ccc(N2CCN(c3cc(N4CCN(Cc5ccccc5)CC4)nc(C)n3)CC2)cc1 1867990066 DKJOQXUVYYZVFQ-UHFFFAOYSA-N 458.610 3.442 10 10 JGCE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(CC(=O)O)C2=O)c1 2314506222 CBAWWOLPDZNFCF-UHFFFAOYSA-N 467.528 3.389 10 10 JGCE CC[C@@H](Oc1ccccc1C=C1SC(=S)N([C@@H](CCSC)C(=O)O)C1=O)C(=O)O 2314927485 GIZIITARQXGKRJ-QWHCGFSZSA-N 455.579 3.336 10 10 JGCE COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)C2=O)c(OC)c1 96868664 OUCODUCKYQNGDX-WJDWOHSUSA-N 455.442 3.186 10 10 JGCE CC1=NN(c2ccc(C(N)=O)cc2)C(=O)/C1=C\c1ccc(-c2ccc(S(=O)(=O)O)cc2)o1 102411251 WURAXYSEYVFXBD-UNOMPAQXSA-N 451.460 3.098 10 10 JGCE C[C@@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 103040799 KHYXNTTUKDRWGZ-MDBUFAAASA-N 456.545 3.070 10 10 JGCE CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/NC(=O)Nc1ccc(C(=O)O)cc1 104979404 ZEOHWAHIYODPFE-MHWRWJLKSA-N 490.257 3.418 10 10 JGCE CC(=O)c1cccc(S(=O)(=O)NCC(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1 784678595 BJUGJWZTRBQDQE-UHFFFAOYSA-N 486.521 3.140 10 10 JGCE CCOCCOC(=O)COc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858845463 YQAFMUXMEQBRAK-UHFFFAOYSA-N 489.484 3.460 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)[C@H]3CCCN(Cc4ccccc4)C3)CC2)cc1 1862004705 STUHGEODNNXELN-RPLLCQBOSA-N 490.648 3.247 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)Cc3ccc(F)cc3)CC2)cc1 1862120147 GSMBTJQDDHWXNP-AREMUKBSSA-N 491.563 3.159 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)COc3cc(C)c(Cl)c(C)c3)CC2)cc1 1862174368 NTYDOLNQAKOXOE-GOSISDBHSA-N 459.974 3.198 10 10 JGCE COC(=O)C[C@H](N)C(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OC 1865966416 ZGDSORHVBYJSLK-LBPRGKRZSA-N 455.330 3.102 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(C)C)cn3C[C@@H]3CCCO3)CC2)cc1 1870435619 OESQWAOPIQLWTI-DEOSSOPVSA-N 455.599 3.393 10 10 JGCE CCCCOc1cn(CCCN2CCOCC2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870663541 JHMYJUDZBZVCJB-UHFFFAOYSA-N 498.668 3.080 10 10 JGCE CCCOc1ccc(Nc2nc(=NCCOC)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871724515 VBHHTXAEPPRFQF-UHFFFAOYSA-N 493.612 3.219 10 10 JGCE COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3CCCC3)ncnc21 1873559006 MYLBYYHPPGLSAM-UHFFFAOYSA-N 478.597 3.039 10 10 JGCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)O)o4)c(OC)c3)C2=O)cc1 2294284800 YVCZFYWKFTZISC-UHFFFAOYSA-N 492.440 3.240 10 10 JGCE COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@@H]3OC(C)(C)C 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O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)N1CCN(C(=O)C2CCC2)CC1 1860345053 PXOVVOBVNGUEKU-UHFFFAOYSA-N 495.583 3.045 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)CCCOc3ccccc3)CC2)cc1 1862223631 KAUQBJWMYKJGST-QHCPKHFHSA-N 469.607 3.105 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 1862291508 GMBQWCWZCYTRIZ-HXUWFJFHSA-N 490.969 3.121 10 10 JGCE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)C[C@@H](C)C1)=C(N)O2 1865028998 CXQDGRPQWIROIB-PZPWOCDFSA-N 454.571 3.458 10 10 JGCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H]3CC(=O)N(Cc4ccc5c(c4)OCO5)C3)cccc21 1874180053 XKLYOUWIONBEEK-MRXNPFEDSA-N 468.465 3.178 10 10 JGCE COCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2)C1=O 2053515590 BDQAXHPBUDYVKU-UHFFFAOYSA-N 466.588 3.463 10 10 JGCE CCN1C(=O)C(=Cc2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 2296052857 FPCKJCAXIUNSRH-MRXNPFEDSA-N 452.561 3.061 10 10 JGCE CCN(CC)CCOC(=O)c1ccc(NC=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1 2296945880 RKMHIVQVBASGHY-UHFFFAOYSA-N 480.590 3.237 10 10 JGCE C[C@H]1CCCCN1C(=O)Cn1cc(C=C2C(=O)NC(=S)N(Cc3ccco3)C2=O)c2ccccc21 2297365343 TUMNMLNZTZWKRJ-KRWDZBQOSA-N 490.585 3.462 10 10 JGCE O=C(CCN1CCCCC1)NN1C(=O)C(=Cc2c[nH]nc2-c2cccc([N+](=O)[O-])c2)SC1=S 2314487773 KADNDACLWWOGOK-UHFFFAOYSA-N 486.579 3.093 10 10 JGCE NC(=O)C1CCN(c2nc3ccccc3cc2C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)CC1 2314650427 GNOOCKADWSDYRE-GOSISDBHSA-N 482.631 3.317 10 10 JGCE C[C@@H](NC(=O)CCCCCN1C(=O)C(=Cc2cc(Cl)ccc2O)SC1=S)C(=O)O 2314837221 PRTRIRJVVPHEIS-LLVKDONJSA-N 456.973 3.397 10 10 JGCE COc1ccc(-c2nc(NS(=O)(=O)c3ccc4c(c3)OCCO4)sc2CCC(=O)O)cc1 1858034968 NIJZJWRGOHXPCX-UHFFFAOYSA-N 476.532 3.408 10 10 JGCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)/C=C/c3ccccc3)cc2)cc1 1858958268 AYSPYNBZKUWOIS-OVCLIPMQSA-N 451.504 3.076 10 10 JGCE CC[C@@](C)(NC(=O)c1ccc(Cl)nn1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867273038 WJUNYCFSYFYJQG-XMMPIXPASA-N 462.893 3.443 10 10 JGCE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccc5OC)CC4)nc(C)n3)CC2)cc1 1867987589 LGYIUQOGOHFKHT-UHFFFAOYSA-N 474.609 3.455 10 10 JGCE O=C1C(=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c2ccccc2N1Cc1ccc(F)cc1 2296545298 DZJQHJKGXTXINW-OAHLLOKOSA-N 488.587 3.131 10 10 JGCE Cc1ccccc1OCCCOc1ccc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1 2297345438 WRGNZRGOYMDQMH-UHFFFAOYSA-N 498.586 3.464 10 10 JGCE COc1ccc(/C=C2\SC(=S)N(CC(=O)OCC(=O)Nc3ccc(F)cc3F)C2=O)cc1 3263383 ZLUZNENFUMZKAM-IUXPMGMMSA-N 478.498 3.357 10 10 JGCE CC(=O)Oc1ccc(C(=O)N[C@H](C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867717835 FXOFMNIZWVIYCB-CLOONOSVSA-N 480.609 3.140 10 10 JGCE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccncc4)n(-c4ccc(Cl)cc4)[nH]3)CC2)cc1 1869971129 YMOBWGUCMFMRSS-UHFFFAOYSA-N 489.967 3.325 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cn(-c4ccc(F)c(Cl)c4)c(=O)cc3O)CC2)cc1 1870130789 PYGIUJMDYGFANB-UHFFFAOYSA-N 457.889 3.307 10 10 JGCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCCCCCO)c4ccccc34)[C@H]21 1873853848 AZNVMEPZELDCJT-SANMLTNESA-N 460.578 3.457 10 10 JGCE C[C@@H](c1ccccc1)N1C(=O)C(=Cc2c(NCCO)nc3ccccn3c2=O)SC1=S 2053494327 QEIUOMASCCBLGX-AWEZNQCLSA-N 452.561 3.061 10 10 JGCE Cc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1C 2326941517 BJQRKIHJJZSIJV-UHFFFAOYSA-N 495.582 3.335 10 10 JGCE Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 229971895 PUDYQXUHXZUBNS-SEYXRHQNSA-N 478.597 3.280 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(C)c4)cn3C[C@H](C)O)CC2)cc1 1870621818 DAZPONDHZNMWKE-QFIPXVFZSA-N 477.605 3.447 10 10 JGCE CO[C@H](c1cc(O)c(O)c(O)c1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952306369 LDHVJUURNOCROY-JTHBVZDNSA-N 465.458 3.483 10 10 JGCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3cc(C)n(-c4ccc(OC)cc4)c3C)C(=O)N=C2S1 2297346249 PLMWUZLBLKZCIT-UHFFFAOYSA-N 471.564 3.114 10 10 JGCE COc1cc(C=C2SC(=S)N([C@@H](C)C(=O)Nc3ccc(O)cc3)C2=O)cc(OC)c1O 2314836539 GLZXCZGMYTYTDJ-NSHDSACASA-N 460.533 3.343 10 10 JGCE Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OCC(=O)O)C2=O)c1 6768139 GPSLJTONNUCHHO-SXGWCWSVSA-N 473.279 3.196 10 10 JGCE COc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)Nc3ccc(C(=O)O)cc3)C2=O)ccc1O 15047194 NVIAZMGNKCQNLJ-VBYYMIJXSA-N 458.517 3.327 10 10 JGCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCc4ccc5c(c4)OCO5)cc3)C(=O)N=C2S1 20208542 FWHULZOVWJOXMG-GICBFTDPSA-N 498.542 3.006 10 10 JGCE COc1ccc2occ(CC(=O)N(Cc3ccc(N(C)C)cc3)[C@H]3CCS(=O)(=O)C3)c2c1 39883111 ZTZSZVGJDWIWSD-FQEVSTJZSA-N 456.564 3.266 10 10 JGCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCC(=O)NC(C)(C)C)CC1 1508234545 CGEIBJPQKAMCGY-UHFFFAOYSA-N 491.640 3.326 10 10 JGCE CC(=O)c1cc(Cl)cc(CN2CCC(N3C[C@H](C(=O)OC(C)(C)C)CC3=O)CC2)c1O 1654976560 XEXIEBLOATVUFK-MRXNPFEDSA-N 450.963 3.403 10 10 JGCE O=C(O)[C@@H](Cc1cnc[nH]1)N1C(=O)/C(=C\c2ccc(Br)cc2F)SC1=S 1858587244 RBZPUKMLNIOAHQ-RGCMJVQSSA-N 456.318 3.208 10 10 JGCE O=C(O)CCCN1C(=O)/C(=C\c2cn(CCN3CCOCC3)c3ccccc23)SC1=S 1860827097 RNHXKOKALDQYRC-XMHGGMMESA-N 459.593 3.040 10 10 JGCE CC[C@](C)(NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862283528 QILHFHNFULLKKZ-DEOSSOPVSA-N 499.524 3.067 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cc(C)ccc2C)[C@@H]1c1ccc(O)c(O)c1 1864018908 DBDBIGMPLSEOFA-NRFANRHFSA-N 462.550 3.353 10 10 JGCE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](O)c1ccc(Cl)cc1)=C(N)O2 1864021169 MGMCFFCGAPVLNJ-WOJBJXKFSA-N 498.967 3.074 10 10 JGCE CCCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCNC(C)=O)C1=O 1873168120 JQXRIIVXDPNZPF-UHFFFAOYSA-N 450.583 3.480 10 10 JGCE COc1ccc(N2CCN(CCCNC(=O)CCN3N=C(c4ccc(C)cc4)CCC3=O)CC2)cc1 20726317 JUICNDYOVGGYFK-UHFFFAOYSA-N 491.636 3.049 10 10 JGCE CCCn1c(N2CCCC2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O 39990005 USMALUJKAGXTNB-ATVHPVEESA-N 474.608 3.105 10 10 JGCE COc1ccc(N2CCN([C@@H](CNC(=O)COc3ccccc3F)c3ccco3)CC2)cc1 56943607 IYNXJHNMERPLJZ-QFIPXVFZSA-N 453.514 3.486 10 10 JGCE Cc1ccc(CN(C(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 207327069 BTTGMKMQAHYFLN-IREQLNLFSA-N 496.657 3.067 10 10 JGCE O=C(O)CCCNC(=O)CCCCCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S 214758842 LBUFFLVIDUWNIC-DTQAZKPQSA-N 465.553 3.337 10 10 JGCE CCN(CC)c1ccc(C=c2sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OC)=C(C)N=3)cc1 254795634 UXNMUZTUUUKWAU-NRFANRHFSA-N 467.616 3.316 10 10 JGCE CC(=O)[C@@H]1CC(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)=NN1c1ccccc1 1465951563 NLHAXBHMPSQSPN-UGKGYDQZSA-N 454.958 3.350 10 10 JGCE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCSc1nccs1 1705583281 UNSKQMSKHUJBBM-UHFFFAOYSA-N 478.651 3.164 10 10 JGCE CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3csc(C)n3)n2Cc2ccc(N(C)C)cc2C)C1 1705964578 MBMSJCVLCQVPOO-HXUWFJFHSA-N 481.670 3.361 10 10 JGCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)CCn3ccc4ccccc43)cc2)cc1 1858960517 HBZGKFMCMVJCIG-UHFFFAOYSA-N 492.557 3.407 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864012119 RPURITVKDYZANZ-LJQANCHMSA-N 454.914 3.135 10 10 JGCE COc1ccc(Cl)cc1C(=O)NCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867602229 PVEHJSVHIABURE-JOCHJYFZSA-N 473.017 3.488 10 10 JGCE CC[C@H](NC(=O)c1cc(C)n(-c2ccccc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868761067 XJYRHFRKQGFTCG-QHCPKHFHSA-N 461.566 3.047 10 10 JGCE CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@H]1CO 2178863484 IPUDQYFHLNOGGC-OXJNMPFZSA-N 476.618 3.274 10 10 JGCE O=C1NC(=O)N(c2cccc3ccccc23)C(=O)C1=Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 2313548569 YORIFEXVRNKUOF-UHFFFAOYSA-N 472.457 3.251 10 10 JGCE CCC[C@@H](NC(=O)C=Cc1cc(OC)ccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2331195378 RAJRTLPFFJJVBB-XMMPIXPASA-N 481.593 3.359 10 10 JGCE COC[C@H](O)CNc1cc(NC(C)=O)c(/N=N\c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC 31362185 AQXNELWSQUVQKO-ZCAQAUNWSA-N 462.419 3.305 10 10 JGCE CCN(CC)c1ccc(CN(C[C@@H](O)COc2ccc(C(C)=O)cc2)[C@H]2CCS(=O)(=O)C2)cc1 256038206 MJRPSWSHQQCSLX-LOSJGSFVSA-N 488.650 3.164 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)NCCc3cc(Br)ccc3F)CC2)cc1 726245190 HOCJXDNGWYONHD-UHFFFAOYSA-N 479.394 3.261 10 10 JGCE COc1ccc(N2CCCN(CN3C(=O)N[C@@](c4ccccc4)(C(F)(F)F)C3=O)CC2)cc1 728561434 PQNCOCNUUDJWAU-JOCHJYFZSA-N 462.472 3.174 10 10 JGCE COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)c3ccc(NS(C)(=O)=O)cc3)ccc21 728637695 DSXHYRIPMDLVRJ-UHFFFAOYSA-N 458.536 3.316 10 10 JGCE CC(=O)N1CC[C@@H](CN(C)C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 1435561436 DQWKUMFFGCVSPE-ZCQLHAAUSA-N 451.639 3.056 10 10 JGCE COCCCN1C(=O)c2ccc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1865887917 XPGWWNNBLGSNFU-RUZDIDTESA-N 492.620 3.342 10 10 JGCE Cc1ccccc1-n1nc(C(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)c(=O)cc1C 1866282800 JBKIAXQCWGVMIL-HSZRJFAPSA-N 456.550 3.168 10 10 JGCE CCC[C@@H](NC(=O)[C@H](c1cccnc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867274302 GCWSAJQOANISAT-VWNXMTODSA-N 484.556 3.383 10 10 JGCE CC(=O)NCCN1C(=O)C(Nc2ccc(NC(C)=O)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422063 DMWVMNKHKPMJSK-UHFFFAOYSA-N 499.571 3.381 10 10 JGCE Cc1ccc(C=CS(=O)(=O)NCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1 2297395886 HSOZFJDBINDOKI-DEOSSOPVSA-N 471.623 3.159 10 10 JGCE CCSc1nnc(NC(=O)CN2C(=O)C(=Cc3ccc(OC)cc3)SC2=S)s1 2314578315 KLIBQNLNCLAVAP-UHFFFAOYSA-N 452.608 3.499 10 10 JGCE C[C@@H](NC(=O)CCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)C(=O)O 15040757 GRADCJTUPPTAPQ-PEHNMLCRSA-N 457.371 3.020 10 10 JGCE COc1ccc(N2CCN([C@H](CNC(=O)C(=O)Nc3cccc(C)c3)c3ccco3)CC2)cc1 38619575 ULAJHPBASIEHBA-HSZRJFAPSA-N 462.550 3.215 10 10 JGCE NC(=O)c1ccccc1N1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S 39861574 SZDILMVWWJJCGM-YPKPFQOOSA-N 460.334 3.276 10 10 JGCE COc1ccc(N2CCN([C@@H](CNC(=O)[C@H]3COc4ccccc4O3)c3ccco3)CC2)cc1 106210063 DZOPICMMZPASOH-SQJMNOBHSA-N 463.534 3.108 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)c3nn(-c4ccc(F)c(F)c4)c4c3CCC4)CC2)cc1 742919346 GCFQXLGMUSXGIN-UHFFFAOYSA-N 481.547 3.200 10 10 JGCE COc1ccc(N2CCN(C(=O)CCN=c3nc(O)c(Cc4ccc(Cl)cc4)c(C)[nH]3)CC2)cc1 1858546144 NENSIRWQZIHQIQ-UHFFFAOYSA-N 496.011 3.316 10 10 JGCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC1CCCC1)[C@H]2c1ccc(O)c(O)c1 1864021794 GPPBNTIGTJVHTG-AWEZNQCLSA-N 452.433 3.086 10 10 JGCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC(C)C)[C@H]2c1ccc(O)c(O)c1 1864022592 PNVMXDAGPLJRGF-AWEZNQCLSA-N 454.449 3.188 10 10 JGCE CC[C@](C)(NC(=O)c1cccc(N2CCCC2=O)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868611418 BQXZMYNWWYNXRH-MHZLTWQESA-N 478.593 3.069 10 10 JGCE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2111799414 BOUUREBNWSZCRN-JKSUJKDBSA-N 462.591 3.026 10 10 JGCE COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(I)c1OC 2313549313 SPJMCQYRCGAPAP-UHFFFAOYSA-N 492.269 3.283 10 10 JGCE CC[C@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)c1)C(=O)O 2314930338 BHECMMIYGVAVLI-KRWDZBQOSA-N 472.544 3.483 10 10 JGCE COc1ccc(C(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)c(OC)c1 10673564 OMLMVGMGWKBTAL-VXLYETTFSA-N 472.544 3.064 10 10 JGCE C[C@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc(C(=O)O)cc4)n3)cc2N(C)C1=O 11857953 VQYNBPDKNGANJI-LLVKDONJSA-N 459.505 3.053 10 10 JGCE COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@H]3C=CC[C@@H]32)c1O 14459749 CSOVSSQGGNMRKH-IUKKYPGJSA-N 455.580 3.163 10 10 JGCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1cc(OC)ccc1OC)C(=O)NC(C)(C)C 35964004 DOWDKLHLCIBGOY-JOCHJYFZSA-N 499.612 3.177 10 10 JGCE C[N+](C)(C)CCCOc1ccc(/N=N/c2ccc(NC(=O)CN3C(=O)C=CC3=O)cc2)cc1 199734797 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COZKGGDKVBJWGS-ODLFYWEKSA-N 459.414 3.248 10 10 JGCE CCCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCCC(=O)O)C1=O 33480079 UEMHQNNTYKULEE-SQFISAMPSA-N 460.581 3.363 10 10 JGCE COc1ccccc1/C=C1/SC(=S)N(CCC(=O)N[C@H](CO)Cc2ccccc2)C1=O 103040650 OWXPKHGGQFIONK-OFBHVFLISA-N 456.589 3.006 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@]3(C(=O)OC(C)(C)C)C[C@H]4CC[C@H]3C4)cc2)CC1 1296399401 IESQZUNEJDZYFB-ISJBWFOZSA-N 455.599 3.119 10 10 JGCE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865027397 XMVFZPWFESTFMR-ZCCHDVMBSA-N 475.549 3.186 10 10 JGCE CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871033438 ATUGUKVFJADDHL-UHFFFAOYSA-N 462.550 3.462 10 10 JGCE COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3CCC[C@@H](C)C3)ncnc21 1873557582 SXJWQVTXMHALRA-HXUWFJFHSA-N 492.624 3.285 10 10 JGCE CN(C)c1cccc(C(=O)NCCN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)c1 2040496435 QKYANUITLGKEFM-UHFFFAOYSA-N 455.561 3.113 10 10 JGCE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)S(=O)(=O)CCOc1ccc(N)cc1 2044596449 UVAXUCYHXVEPSA-UHFFFAOYSA-N 463.600 3.394 10 10 JGCE COc1ccc(-c2ccc(C=C3SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1 2053513633 SFPAANQKBZDLSG-ZDUSSCGKSA-N 492.487 3.383 10 10 JGCE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2106842648 AJVJXLSNJILRGQ-ZIAGYGMSSA-N 456.509 3.455 10 10 JGCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C(C)C)C3=O)c(NCCCn3ccnc3)nc12 2296697742 GUWBSWDEVKEOLG-UHFFFAOYSA-N 468.608 3.311 10 10 JGCE COc1cc(C=C2SC(=S)N(CCC(=O)Nc3nnc(C)s3)C2=O)cc(OC)c1OC 2296880024 QSTDSPJXSJERDC-UHFFFAOYSA-N 480.593 3.102 10 10 JGCE COc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1cccc(C)c1 2297345857 IXMFUMMESNSUJO-UHFFFAOYSA-N 484.559 3.204 10 10 JGCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)ccc1OCC(=O)O 2314931280 DIWCZSABGYWJMM-UHFFFAOYSA-N 478.935 3.358 10 10 JGCE CC[C@](C)(NC(=O)C=Cc1ccc(C(=O)OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2331340362 WQBQQFUCGRJSJQ-MHZLTWQESA-N 479.577 3.129 10 10 JGCE Cc1ccc(CNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2cccc3nonc23)cc1 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CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cn(CCOc4ccccc4)c4ccccc34)C(=N)N21 2297345016 HSOCOYJYHSIEJA-UHFFFAOYSA-N 493.570 3.342 10 10 JGCE COc1ccc(/C=C2/SC(=S)N(NC(=O)C3CCCCC3)C2=O)c(C(=O)O)c1OC 16906310 YARGFICOYQIJDN-GXDHUFHOSA-N 450.538 3.215 10 10 JGCE CCOc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c1C 20356687 ZWAYOAQUACGLIB-NLPPSYTOSA-N 478.578 3.402 10 10 JGCE COc1cc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(F)cc32)cc(OC)c1OC 65096266 OLQAHGMPIBUZKR-UHFFFAOYSA-N 462.499 3.241 10 10 JGCE COC(=O)c1c(C)sc(-c2c(-c3ccc(C)c(C)c3)[nH]c3c2c(=O)n(C)c(=O)n3C)c1O 86076736 IPQZYEATYOWGAY-UHFFFAOYSA-N 453.520 3.378 10 10 JGCE CCc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@](Cc2ccc(O)cc2)(C(=O)O)N[C@H]3c2ccccc2O)cc1 252019603 XOUCHVBCSSFHIV-NLJXWPIHSA-N 486.524 3.176 10 10 JGCE CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Br 1084041500 RPIGHSTTZZTKND-QPEQYQDCSA-N 459.252 3.243 10 10 JGCE CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccncc3)n2CCCSc2nccs2)C1 1301660576 AFFOQMXSMXBABW-LJQANCHMSA-N 471.656 3.207 10 10 JGCE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(N3CCC(CO)CC3)cc2)CC1 1705762658 FHMIOIQRHWTCRF-OAQYLSRUSA-N 469.630 3.416 10 10 JGCE COc1ccc(-c2nc3cc(C(=O)NCC(=O)N4CCN(c5ccc(OC)cc5)CC4)ccc3[nH]2)cc1 1862086250 AQDPNNZIHQGHSP-UHFFFAOYSA-N 499.571 3.326 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)COc3ccc(Cl)cc3)CC2)cc1 1862242427 USTGPENAVBUBEW-JOCHJYFZSA-N 457.958 3.067 10 10 JGCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864022443 WSZLRBGHNAHPAN-QFIPXVFZSA-N 492.576 3.403 10 10 JGCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCCc3ccccc3)n4C)CC2)cc1 1873565051 KZYROOCWWYEOFI-UHFFFAOYSA-N 470.577 3.276 10 10 JGCE CC(C)(C)OC(=O)N1CCC(NCc2cc(Cl)cc(Br)c2O)(C(N)=O)CC1 1922658063 KXGWJSRNQRGYTL-UHFFFAOYSA-N 462.772 3.153 10 10 JGCE O=C(C=Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Nc1cccc(-c2nn3cnnc3s2)c1 2313806153 HSCBFULINRCCGN-UHFFFAOYSA-N 477.506 3.250 10 10 JGCE COc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)c2C)c1 20356694 KAAAZIWZXMBBAG-IEHORWCKSA-N 464.551 3.012 10 10 JGCE CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=N)N21 96460828 OUMQIPZUMBDFSZ-UWRFPUSRSA-N 473.492 3.255 10 10 JGCE COc1ccc2c(c1OC)C(=O)O[C@@H]2NN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 207329807 BEZWMXPPXIJOKT-KWJIGKFDSA-N 472.500 3.008 10 10 JGCE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@H]1CCOC2(CCN(S(C)(=O)=O)CC2)C1 575544433 VPXJQJBGARZGPN-JOCHJYFZSA-N 477.671 3.246 10 10 JGCE CCOC(=O)/C=C/c1ccc(NC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1 743294209 DPUOXJLFYLZONW-AWNIVKPZSA-N 452.555 3.215 10 10 JGCE COc1cc(C)c(S(=O)(=O)NC2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1C 1858044132 IAENUHAXWBDRIU-UHFFFAOYSA-N 464.584 3.285 10 10 JGCE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](C)C(=O)O)sc(C)c1-c1ccc(Br)cc1 1860757883 ACVAJIMVXQNYLY-VIFPVBQESA-N 483.340 3.191 10 10 JGCE COCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864008219 GCQROPSRNGRHPC-HXUWFJFHSA-N 484.940 3.093 10 10 JGCE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC)=C(N)O2 1864013320 VUQPXEBCZBHISA-FQEVSTJZSA-N 466.513 3.265 10 10 JGCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCNC(=O)[C@H]2c2ccc(F)cc2)n1 1869134432 DNFXLROBVJIYFM-AREMUKBSSA-N 490.583 3.191 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCC(=O)OCCC(C)C)cc3)CC2)cc1 1872724185 YBADUOXMLHWHOA-UHFFFAOYSA-N 476.595 3.174 10 10 JGCE COc1ccc(CN2C(=O)C(NCCNC(C)=O)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873167137 UHGLHODVRSGRSL-UHFFFAOYSA-N 486.572 3.109 10 10 JGCE CC(C)CN1C(=O)C(=CNc2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)C(=O)NC1=S 2040475320 FYUALVKNENRAAL-UHFFFAOYSA-N 493.010 3.336 10 10 JGCE Cc1cc(Br)ccc1N1C(=O)C(=Cc2ccc(N3CCOCC3)cc2)C(=O)NC1=S 2294244406 FLXSYQDXBOVYIA-UHFFFAOYSA-N 486.391 3.425 10 10 JGCE O=C1C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2296727605 QOAGSYVAUINEKY-NSHDSACASA-N 450.519 3.243 10 10 JGCE Cc1ccccc1OCCOc1ccc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1 2297345937 PCIFMNFFPUUFBV-UHFFFAOYSA-N 484.559 3.074 10 10 JGCE COc1cc(C=C2C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc(Br)c1OC 2313549070 MJXQZUCBBDQTFI-UHFFFAOYSA-N 459.296 3.171 10 10 JGCE C[C@@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc5c(c4)OCCO5)n3)cc2N(C)C1=O 11857713 DFPXKCDOTIHUNV-LBPRGKRZSA-N 473.532 3.126 10 10 JGCE CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@@H](C)O4)cs2)cc1 11857874 JFTXJARNCNALQQ-LLVKDONJSA-N 458.521 3.289 10 10 JGCE COc1ccc(N2CCN(C(=O)CCCn3c4ccccc4c4cnn(C)c(=O)c43)CC2)cc1 35372275 DVCAICVHQLUKGD-UHFFFAOYSA-N 459.550 3.026 10 10 JGCE CCCCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 39990434 KVNFNYMTTRFLAU-KPYNCUPYSA-N 488.635 3.351 10 10 JGCE Cc1occc1C(=O)NC1CCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 727476187 OVXBTXYYTUQMBC-IAGOWNOFSA-N 472.561 3.445 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864009346 FVCGFWCJUORXNR-IBGZPJMESA-N 472.904 3.274 10 10 JGCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2C)[C@H]1c1ccc(O)c(O)c1 1864022738 QEQHRAXHEPJYJP-BFUOFWGJSA-N 464.522 3.116 10 10 JGCE CCC[C@H](NC(=O)C[C@H]1CC(=O)c2ccccc21)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869034255 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CCOC(=O)[C@H]1CCCN(C(=O)c2cnn3c(O)c(Cc4cccc(Cl)c4)c(C)nc23)C1 20136947 HSEODMHDZQCQRS-INIZCTEOSA-N 456.930 3.403 10 10 JGCE Cc1cc(C(=O)NCCS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)n1-c1ccc(Br)cc1 29184487 ZZENRRHGBACCEV-HOTGVXAUSA-N 498.443 3.025 10 10 JGCE O=C(Cn1cc(/C=C2\C(=O)N(Cc3ccccc3)C(=O)N=C2O)c2ccccc21)N1CCOCC1 59109474 SFNNCSLTZYNOKC-STZFKDTASA-N 472.501 3.002 10 10 JGCE COCCN(C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H]1c1ccccc1OC)C(=O)COC 169679889 WMUJUZOPCDMJGR-DHLKQENFSA-N 469.626 3.098 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)Nc3cc(F)ccc3OC[C@@H]3CCCO3)CC2)cc1 730899300 BUHNWTJVCHMULA-QFIPXVFZSA-N 472.561 3.336 10 10 JGCE CCc1nc2ccc(C(=O)N[C@@H](CCSC)C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2[nH]1 1861892031 XTJJTROKGRVSCO-QFIPXVFZSA-N 495.649 3.334 10 10 JGCE CCCC1=NN(c2ccccn2)C(=O)/C1=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1865665630 DROYRJPPNORUNQ-LVZFUZTISA-N 450.539 3.388 10 10 JGCE CCN(CC)CCN1C(=O)C(NC2CCN(C)CC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170520 CTXLONMCBPHIAI-UHFFFAOYSA-N 477.653 3.200 10 10 JGCE CCOC(=O)COc1ccc(Br)cc1C=C1C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 2294094896 CLNPZYRUTULEDM-UHFFFAOYSA-N 487.306 3.366 10 10 JGCE CCN(CC)c1ccc(C=C2C(=O)NN(c3ccc(I)cc3)C2=O)c(O)c1 2294746040 QOVNZWROVBIKQY-UHFFFAOYSA-N 477.302 3.304 10 10 JGCE CCOc1cc(C=C2C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc(Br)c1OC 2297315333 ATGARLLTSONOLL-UHFFFAOYSA-N 494.367 3.310 10 10 JGCE CCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(OC)cc3)c3ccccc32)SC1=S 1243480 YWINZFBCTNIGOU-VHEBQXMUSA-N 453.545 3.272 10 10 JGCE CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@](CC1CCCCC1)(C(=O)O)N[C@H]2c1cccc(OC)c1O 248206733 BHPLYKVHYKOKPK-PBQROFAYSA-N 458.555 3.240 10 10 JGCE CC1CCN(c2ccc(CNS(=O)(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)CC1 731038091 DTFFCGJFRZSIEI-UHFFFAOYSA-N 477.652 3.186 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)COc3ccc(C)c(C)c3)CC2)cc1 1862194167 KWQPMCCBKPPBRF-XMMPIXPASA-N 485.650 3.278 10 10 JGCE CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864009110 ZMDJUVDREIGNKK-NRFANRHFSA-N 498.967 3.483 10 10 JGCE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864012832 KHYLDRBKTUIMPX-NRFANRHFSA-N 460.534 3.268 10 10 JGCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCCC1)[C@H]2c1ccc(O)c(O)c1 1865034338 UDOABLNACNYBLL-AWEZNQCLSA-N 452.433 3.040 10 10 JGCE COc1ccc(N2CCN(c3cc(N(Cc4ccccc4)C(=O)[C@@H]4CCCN4)nc(C)n3)CC2)cc1 1869287522 IQTJMSOXFRJBIZ-VWLOTQADSA-N 486.620 3.405 10 10 JGCE CCOC(=O)N1CCC(NC(=O)c2ccc(CN3CCN(c4ccc(OC)cc4)CC3)cc2)CC1 1872884541 XUWZGWLJQIGQDF-UHFFFAOYSA-N 480.609 3.368 10 10 JGCE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@@H]1C[C@@H](N)CCN1C(=O)OC(C)(C)C 1952401173 ISFQGJIBIJXQET-BBWFWOEESA-N 451.564 3.260 10 10 JGCE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)Cc3ccccc32)=C[C@H]1O 2201009826 YTLXPVSESIJAMB-WSTZPKSXSA-N 473.570 3.053 10 10 JGCE COCCN1C(=O)C(=Cc2c(N(C)Cc3ccccc3)nc3ccccn3c2=O)SC1=S 2296698771 PWAUTHUQVPXNDP-UHFFFAOYSA-N 466.588 3.179 10 10 JGCE Cc1nnc(NC(=O)CN2C(=O)C(=Cc3cccc(Br)c3)SC2=S)s1 2296881392 FDMVHCMSMLEZDG-UHFFFAOYSA-N 455.384 3.449 10 10 JGCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccncc4)c(OC)c3)C2=O)cc1 2297576824 DJFMMULECHIALG-UHFFFAOYSA-N 459.458 3.344 10 10 JGCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)C=Cc3cccc(F)c3)cc2)cc1 2330950643 MYYBPSCYNWFIJX-UHFFFAOYSA-N 483.521 3.257 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4[N+](=O)[O-])cc3)C(=N)N21 20206855 OXFHPFQMCRGBTK-HLLBZCHMSA-N 499.530 3.185 10 10 JGCE COc1ccc(N2CCN(CCCNC(=O)[C@@H]3CCCN(c4nc5cccnc5s4)C3)CC2)cc1 33045182 RNNRMDZNOZDRRA-HXUWFJFHSA-N 494.665 3.245 10 10 JGCE Cc1c(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)c(N2CCOCC2)n(C)c(=O)c1C#N 33390515 LSXXDDRFQBLSFY-RBYWHNRPSA-N 480.615 3.364 10 10 JGCE COc1ccc(N2CCN(C(=O)c3[nH]c(C)c(S(=O)(=O)N4CCCCCC4)c3C)CC2)cc1 85598280 USLTWTDHQYTDRV-UHFFFAOYSA-N 474.627 3.167 10 10 JGCE Cc1ccc2nc(N3CCN(C)CC3)c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 102682853 UQEQIEPXEJJOKI-XMHGGMMESA-N 483.663 3.289 10 10 JGCE Cc1ccccc1N1C(=O)/C(=C2\C(=O)N(CN3CCN(C)CC3)c3ccccc32)SC1=S 108649882 YIOSYHPXXMSFOU-QZQOTICOSA-N 464.616 3.323 10 10 JGCE COc1ccc(-n2c(C)cc(C(=O)O[C@H](C)C(=O)N[C@H](C)c3ccc(S(N)(=O)=O)cc3)c2C)cc1 857434522 GDRSXAUBVFSKQJ-SJLPKXTDSA-N 499.589 3.173 10 10 JGCE CC(=O)N1CC[C@@H](CN(C)c2nnc(CC(C)C)n2Cc2ccc(N3CCSCC3)cc2)C1 1595992378 QOYRMWFRWKOOCC-QFIPXVFZSA-N 470.687 3.383 10 10 JGCE CC(=O)N(C)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(N(C)C)cc2C)CC1 1722747770 JHOGRQNBUPFPME-QHCPKHFHSA-N 454.619 3.390 10 10 JGCE CCCC[C@@H](NC(=O)Cc1ccc(OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862302308 YOFMZZDFUQKIIU-XMMPIXPASA-N 453.583 3.270 10 10 JGCE Cc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccn3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864010104 PITQSIXCBKSOEL-DEOSSOPVSA-N 497.555 3.349 10 10 JGCE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2 1864012666 GCPVVCABIRWRDO-JOCHJYFZSA-N 492.576 3.142 10 10 JGCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864021306 ADVUWNXPSZUKPL-MEDUHNTESA-N 489.454 3.307 10 10 JGCE CCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(C)c(F)c2)[nH]1 1871577663 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3.458 10 10 JGCE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCN(C(=O)C3CC3)CC2)n1 1868480679 FZBQUBOOKAPULQ-UHFFFAOYSA-N 467.529 3.363 10 10 JGCE COc1ccc(N2CCN(c3ncnc4c3ccc(=O)n4-c3ccc(OC)c(OC)c3)CC2)cc1 1873533237 BOBCRQUHVFZKJG-UHFFFAOYSA-N 473.533 3.133 10 10 JGCE CC[C@H](C)N1C(=O)C(=Cc2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC1=S 2295979404 FCCZKXYOUQTQDB-HNNXBMFYSA-N 468.608 3.393 10 10 JGCE Cc1cccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)c1 2326941556 NKAPRXMAKDRPNC-UHFFFAOYSA-N 481.555 3.026 10 10 JGCE CCOC(=O)c1cccc(-c2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC)o2)c1 32961240 GJEOVAFUZMLYKE-OTLVRQKTSA-N 486.531 3.135 10 10 JGCE CCOC(=O)CN1C(=O)/C(=C2/SC(=S)N(c3ccccc3OC)C2=O)c2ccccc21 33788894 ISMREHTZVYQJBS-VHEBQXMUSA-N 454.529 3.381 10 10 JGCE Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCC(=O)O)C1=O 33928347 JFVDWGCNLORNCJ-FOWTUZBSSA-N 467.528 3.471 10 10 JGCE COCCN(C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H]1c1cccc(F)c1)C(=O)COC 169678940 QBERELCPNQIVAO-WIOPSUGQSA-N 457.590 3.229 10 10 JGCE CC(=O)NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(c3cccc(C)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526139859 NEEMOODBOIEVBG-HSZRJFAPSA-N 494.525 3.288 10 10 JGCE C[C@H]1CN(c2ccc(CNC(=O)CN3CCN(c4ccc(F)cc4)CC3)cc2F)C[C@H](C)O1 916977975 CMPUQPPVJSGLDP-OALUTQOASA-N 458.553 3.017 10 10 JGCE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCS(=O)(=O)CC=C 1705605988 UMIJOHCCJCNBGB-UHFFFAOYSA-N 451.596 3.413 10 10 JGCE O=C(O)CCN1C(=O)/C(=C2/C(=O)N([C@H](CCc3ccccc3)C(=O)O)c3ccccc32)SC1=S 1860827472 ZPEAWWMEKCSYMU-FTHOYRMOSA-N 496.566 3.165 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4F)cn3C[C@@H](C)O)CC2)cc1 1870342446 VBDFEAHKOYWURC-HXUWFJFHSA-N 481.568 3.278 10 10 JGCE CC(=O)NCCN1C(=O)C(Nc2cccc(N(C)C)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422279 ONBUVHOOKFMJKW-UHFFFAOYSA-N 485.588 3.488 10 10 JGCE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NC[C@H]3CCCO3)ncnc21 1875204056 XFZQMOZJDNCUNB-OAQYLSRUSA-N 478.597 3.403 10 10 JGCE CCOc1cc(C=C2SC(=S)N(CCC(=O)OC)C2=O)ccc1OCC(=O)N(CC)CC 2314767008 CMEKSCNCQBEWAB-UHFFFAOYSA-N 480.608 3.097 10 10 JGCE COc1ccccc1C(=O)NN1C(=O)C(=Cc2ccc(O[C@@H](C)C(=O)O)cc2)SC1=S 2314928894 DMWOXKZIAJLDCP-LBPRGKRZSA-N 458.517 3.093 10 10 JGCE CCOc1cc(C=C2SC(=S)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)ccc1OC 2323686602 UBADRXJPGOYOJZ-UHFFFAOYSA-N 464.590 3.143 10 10 JGCE CC1=NN(c2cc(Cl)ccc2[N+](=O)[O-])C(=O)/C1=C\c1cccn1-c1ccc(S(N)(=O)=O)cc1 16160998 XKINRQQOGAXULP-PDGQHHTCSA-N 485.909 3.492 10 10 JGCE COc1ccc(N2CCN(C(=O)CCS(=O)(=O)c3cc(-c4cc(C)no4)ccc3C)CC2)cc1 64866277 APJWOQFKZDWRTF-UHFFFAOYSA-N 483.590 3.480 10 10 JGCE CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 105487203 CJUFMDQVHKYPTQ-RJGXRXQPSA-N 480.476 3.340 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@]3(C)CC(c4ccccc4Cl)=NO3)cc2)CC1 1138228583 DUHPKWIOOMYVPE-DEOSSOPVSA-N 454.958 3.208 10 10 JGCE CC(=O)N1CCN([C@@H]2CN(c3nnc(CC(C)(C)C)n3Cc3ccc(N(C)C)c(F)c3)C[C@@H]2C)CC1 1359398994 JAMCPJFFZSHKMU-YADARESESA-N 499.679 3.109 10 10 JGCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)/C=C/c3ccc(F)cc3)cc2)cc1 1859004589 CMSUUBYQUDXDMB-LHHJGKSTSA-N 483.521 3.257 10 10 JGCE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864019309 IJQIISNMSAEXLD-QFIPXVFZSA-N 492.576 3.141 10 10 JGCE CCCN(CCC)c1cccc(C(=O)N[C@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)n1 1868605208 VVPMQYXOBMGBRM-HXUWFJFHSA-N 467.614 3.184 10 10 JGCE CCCOc1cn(CCCn2ccnc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870659313 YDYUJRWYAMXNEC-UHFFFAOYSA-N 465.598 3.255 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873170510 CEWWQFPHTJNDLH-QHCPKHFHSA-N 462.594 3.037 10 10 JGCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc1C2=O 1873901167 VCFRDUIEWYRPSJ-UHFFFAOYSA-N 488.408 3.473 10 10 JGCE CC[C@@H](C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)O)c(OC)c3)C2=O)cc1 2296398174 YMGAZZXHMLAKGP-CQSZACIVSA-N 452.463 3.339 10 10 JGCE Cc1ccc(CN2C(=O)C(=C3SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c3ccccc32)cc1 2296545546 YZIFITWPZASXRL-MRXNPFEDSA-N 484.624 3.300 10 10 JGCE COc1cccc(C(=O)NN2C(=O)C(=Cc3ccc(OCCC(=O)O)cc3)SC2=S)c1 2314930581 GHNXRTBAXOJWRK-UHFFFAOYSA-N 458.517 3.095 10 10 JGCE CC[C@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccccc2OC)C1=O)C(=O)O 2314933156 UKSSXQZCTPIPLK-HNNXBMFYSA-N 472.544 3.483 10 10 JGCE COc1ccc(N2CCN(c3nccc4ccc(C(=O)NCCCN5CCOCC5)cc34)CC2)cc1 65001990 VRPBJYLBOHLGTF-UHFFFAOYSA-N 489.620 3.022 10 10 JGCE CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(Br)cc3)C(=N)N21 96460692 CXNGBFNFQXIODM-WVFLBDEYSA-N 455.359 3.097 10 10 JGCE O=C(/C=C\c1ccc(N2CCOCC2)cc1)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 209940402 RLNXZLHLMIIOFP-JDPZSVLMSA-N 455.986 3.380 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)CS[C@@H](C)c3nc4ccccc4[nH]3)cc2)CC1 1632945336 OGHFVTVQJNVWRU-KRWDZBQOSA-N 451.596 3.342 10 10 JGCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NC[C@H]4CCCO4)c4ccccc34)[C@@H]21 1860345241 WKXZNXWFWMEELU-WXTAPIANSA-N 458.562 3.474 10 10 JGCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1864010646 AFVNJAIOJUNVHR-YEJXKQKISA-N 466.513 3.399 10 10 JGCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3ccc(C)cc3)CC2)cc1 1865183849 GFMJTMGJKYQJGD-QHCPKHFHSA-N 473.577 3.089 10 10 JGCE Cc1cc(C)cc(-n2nc(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)c(=O)cc2C)c1 1866288397 DEBSCHFTENUTTL-DEOSSOPVSA-N 470.577 3.477 10 10 JGCE CC[C@](C)(NC(=O)[C@@H](c1cccnc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867278913 CQEPQGPLUBFBHE-LXFBAYGMSA-N 484.556 3.383 10 10 JGCE C[C@H]1[C@H](NC(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 2200966785 JTLANEOOFDXMCG-UAGQMJEPSA-N 479.574 3.048 10 10 JGCE CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200969363 HUFBKDIDYFXFKG-SJORKVTESA-N 479.574 3.049 10 10 JGCE CC[C@H](C)[C@@H](NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21)C(=O)O 2297718112 IMVWAJXNWCDNLY-CDSRXRBVSA-N 474.561 3.404 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(c4ccc(-c5ccncc5)nn4)C3)CC2)cc1 22488245 SSNYIPNWGAAGEY-OAQYLSRUSA-N 458.566 3.112 10 10 JGCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c(NCC(C)C)nc12 33351672 MKSSGKDJULXSCW-XNTDXEJSSA-N 460.581 3.137 10 10 JGCE O=C(COc1ccccc1/C=C1\SC(=S)N(N2CCOCC2)C1=O)Nc1ccccc1 35519856 KQHFKJBWNDBLQB-RGEXLXHISA-N 455.561 3.153 10 10 JGCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 918309535 AHUXLVKXKATSAI-UHFFFAOYSA-N 451.523 3.162 10 10 JGCE CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CC1 1254716377 LOFUMUHJBDEPDP-VWLOTQADSA-N 455.647 3.151 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)C3(c4ccc(Br)cc4)CC3)cc2)CC1 1634075058 ZUDBNAFJFCMHSD-UHFFFAOYSA-N 456.384 3.466 10 10 JGCE CC(=O)N1CCCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(N(C)C)cc2C)CC1 1749835003 CQXHNHHFKSSQQT-UHFFFAOYSA-N 467.643 3.115 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)NCc4ccccc4OC)n4ccccc34)CC2)cc1 1858224455 XDVDUBRKMUYISK-UHFFFAOYSA-N 499.571 3.244 10 10 JGCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)CCc4ccccc4)cn3)CC2)cc1 1858435066 QPIIMDQPXLTMMS-UHFFFAOYSA-N 452.580 3.401 10 10 JGCE CCc1sc(NC(=O)C(=O)N[C@@H](C)C(=O)O)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763730 OGXMGFGSNLJMTI-VIFPVBQESA-N 483.340 3.054 10 10 JGCE CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)NC(C)C)c2C(=O)OC)cc1 1860764122 ZZBLWVUXDMHYJD-UHFFFAOYSA-N 489.594 3.220 10 10 JGCE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC)=C(N)O2 1864013227 TXABYZBTQMRVQF-OAQYLSRUSA-N 462.550 3.434 10 10 JGCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCCCC1)[C@H]2c1ccc(O)c(O)c1 1865034196 RGUBGJIVHRHRCK-AWEZNQCLSA-N 452.433 3.040 10 10 JGCE C[C@H](C(=O)Nc1ccccc1)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326941564 OSEMRMAMEDUHHP-CYBMUJFWSA-N 481.555 3.107 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C=Cc3ccc(Br)cc3)CC2)cc1 2328570218 LCQUZRLMMIPUAO-KRWDZBQOSA-N 472.383 3.324 10 10 JGCE O=C(O)CN1C(=O)/C(=C\c2c(Oc3ccccc3Cl)nc3ccccn3c2=O)SC1=S 102396462 IYMKOGFNHBDEKZ-NTEUORMPSA-N 473.919 3.426 10 10 JGCE COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(CCCNC(C)=O)cc3)cs2)cc1 747853776 WMLBLWHPXJBHNR-UHFFFAOYSA-N 473.576 3.466 10 10 JGCE COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C2=O)cc1 1084553906 UMITYVRTYLIAKH-QGOAFFKASA-N 450.451 3.260 10 10 JGCE C=CCS(=O)(=O)CCn1c(Nc2cnn(C)c2)nnc1-c1cc(C)n(-c2ccccc2)c1C 1705939461 XQUZBCNCZNRPRS-UHFFFAOYSA-N 465.583 3.431 10 10 JGCE CCc1nn(C)c2c1[C@H](c1ccc(F)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865523523 YRZZETNMYDVQRM-QFIPXVFZSA-N 491.567 3.174 10 10 JGCE CC(=O)Nc1cccc(C(=O)N[C@H](C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867636808 RILAMWIHWLCSPI-CLOONOSVSA-N 479.625 3.173 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)C[C@H]3CCCCO3)CC2)cc1 1869050093 VDFLCAGNBUZBQV-JWQCQUIFSA-N 483.584 3.170 10 10 JGCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1O 2297349878 WRAAQTQIBPEHMR-UHFFFAOYSA-N 476.239 3.128 10 10 JGCE COC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Cl 2313557687 JOUUOUKARIHUNK-UHFFFAOYSA-N 467.236 3.351 10 10 JGCE CCOc1ccc(C=CC(=O)N2CCC[C@@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 2330600082 YIFBHUZPEFTXNL-RUZDIDTESA-N 463.578 3.447 10 10 JGCE Cc1c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(N2CCCCCC2)n(C)c(=O)c1C#N 33812490 YYOQNNBBLMSVOJ-JJBLJPBOSA-N 472.636 3.326 10 10 JGCE O=C(CCC1CCN(c2cc(NC3CC3)ncn2)CC1)NCc1ccc(N2CCOCC2)cc1 65274301 JYGTZRLRJCJYLE-UHFFFAOYSA-N 464.614 3.201 10 10 JGCE CCc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c1C 96460147 VCXJAUGJVWIRSV-JUVBEIPNSA-N 455.565 3.278 10 10 JGCE COCCN1C(=O)/C(=C\c2c(Oc3ccccc3F)nc3ccccn3c2=O)SC1=S 102996556 XLKUSNZHJVNKNV-FOWTUZBSSA-N 457.508 3.474 10 10 JGCE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N)=NC2=O)c1 213225481 GGHPAICANBOEQV-XSFVSMFZSA-N 481.603 3.499 10 10 JGCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(NC(=O)N2CCNCC2)cc1 586664504 AHOHXROBOBSCAH-UHFFFAOYSA-N 454.486 3.151 10 10 JGCE CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3C[C@H]3c3cc4c(cc3OCC)C[C@@H](C)O4)nc12 730650911 HXCQMGIXCMVHSB-RPVQJOFSSA-N 481.505 3.181 10 10 JGCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)O 1084303277 XVMQDWNXVSUYOC-AUWJEWJLSA-N 462.817 3.008 10 10 JGCE CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 1687155212 IHRRJSMHKRRNII-VWLOTQADSA-N 456.631 3.360 10 10 JGCE CN(C)c1ccc([C@H](CNC(=O)C2CCN(C(=O)C(F)(F)F)CC2)N2CCCCC2)cc1 1858074361 HOXNGNXMADAKEF-FQEVSTJZSA-N 454.537 3.197 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3cccc([N+](=O)[O-])c3C)CC2)cc1 1861911160 QWXLKDGNIZCGOF-NRFANRHFSA-N 486.594 3.112 10 10 JGCE CC[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862217184 FWAVLSCDRNKSDA-HTAPYJJXSA-N 459.974 3.360 10 10 JGCE CO[C@@H]1c2cc3c(c(O)c2-c2c(cc4cc(C)[nH]c(=O)c4c2O)[C@@H]1O)C(=O)c1ccc(C)c(O)c1C3=O 15202983 AYAYSZMHAWZBCX-RPLLCQBOSA-N 499.475 3.439 10 10 JGCE biogenic O=C1NC(=S)S[C@H]1CNc1ccc(Oc2ccc(NC[C@@H]3SC(=S)NC3=O)cc2)cc1 33678192 VVHXHSXYOHZYOV-HOTGVXAUSA-N 490.657 3.336 10 10 JGCE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@H](C(=O)NCc4cccnc4)[C@@H]3C2)cc1 35871669 OQGIAXBFQHEMOR-AHWVRZQESA-N 458.562 3.283 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cc(OC)c(OC)cc3I)CC2)cc1 110090367 JYXLSYHCXKNHAH-UHFFFAOYSA-N 482.318 3.279 10 10 JGCE CCCCN1C(=O)C(=c2sc(=C3Sc4ccccc4N3C)c(=O)n2CC)SC1=S 254607970 YYBJOEIJPCXDBK-UHFFFAOYSA-N 463.675 3.006 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4)cn3CCN(C)C)CC2)cc1 1870470604 GHYKOUDBLCDNGM-UHFFFAOYSA-N 476.621 3.320 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(F)cc4)cn3CCN(C)C)CC2)cc1 1870624491 CQZNSVOWZBIOON-UHFFFAOYSA-N 494.611 3.459 10 10 JGCE COCCCN=c1nc(Nc2ccc(Cl)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871522536 NPQQJUPVHMYIRS-UHFFFAOYSA-N 484.004 3.474 10 10 JGCE COc1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)ccc1OCC(=O)N1CCCCC1 2314760874 MNOPUFNDLZGCLY-UHFFFAOYSA-N 478.592 3.153 10 10 JGCE CCCCN1C(=O)/C(=C2/SC(=S)N(NC(=O)c3ccccc3O)C2=O)c2ccccc21 33740165 HNBJEIGFAYWREY-ISLYRVAYSA-N 453.545 3.455 10 10 JGCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)c(N3CCOCC3)nc12 33803768 ABXMJIAOVGSGSL-CPNJWEJPSA-N 496.589 3.380 10 10 JGCE COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@@H](C(=O)NCCN(C)C)[C@@H]3C2)cc1 169679342 DDPOKFGJWDHBJP-GGAORHGYSA-N 476.543 3.259 10 10 JGCE O=C(C[C@@H]1CC(=O)c2ccccc21)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868165180 NLNRRNUKDILHRQ-HNNXBMFYSA-N 452.466 3.277 10 10 JGCE CC[C@H](NC(=O)c1cc(-c2ccc(F)c(F)c2)[nH]n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868934234 CYAHTTRIIPXADN-NRFANRHFSA-N 483.519 3.221 10 10 JGCE CC(C)(C)OC(=O)NCCN(C(=O)C1=C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 2136307527 HJWMBJCPEYBUTI-RBUKOAKNSA-N 461.559 3.129 10 10 JGCE Cc1ccc(C=CS(=O)(=O)NCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1 2297395887 HSOZFJDBINDOKI-XMMPIXPASA-N 471.623 3.159 10 10 JGCE CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3C(=O)/C(=C/c4ccc(OC)cc4)SC3=S)C2=O)cc1 15051176 DWDZSTRUSJOBIP-GEBKJHSDSA-N 496.566 3.405 10 10 JGCE COc1ccc(C2=NN(C3=NC(=O)[C@@H](CC(=O)O)S3)[C@H](c3ccc(N(C)C)cc3)C2)cc1 72413241 CBISAAGOMJFMKM-VQTJNVASSA-N 452.536 3.385 10 10 JGCE CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCCC(=O)O)C1=O 102988981 YJMBGEOJOSEOSC-JQIJEIRASA-N 474.608 3.387 10 10 JGCE COc1cccc(/C=C2/SC(=S)N(N[C@@H]3OC(=O)c4c3ccc(OC)c4OC)C2=O)c1 207329482 PFYKZPROGPHCEX-SPQRHKFCSA-N 458.517 3.287 10 10 JGCE CCN(CC)c1ccc(CN(C[C@H](O)COc2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)cc1 256037809 IHLQQTPTJFGCSK-GOTSBHOMSA-N 464.603 3.101 10 10 JGCE COc1ccc(N2CCN(c3cc(C(=O)NCCc4ccc(Cl)cc4)ncn3)CC2)cc1 1858249093 ZKKPQEBXIDOLAP-UHFFFAOYSA-N 451.958 3.438 10 10 JGCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)N1CCN(c2ccccn2)CC1 1860344486 YXGBSJNCRFYKRI-UHFFFAOYSA-N 490.567 3.318 10 10 JGCE CCN(CC)C(=O)COc1ccc(CNCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1860717319 HCKNQYIMJPSIJG-UHFFFAOYSA-N 499.567 3.438 10 10 JGCE Cc1cccc(OCCN2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)c1 1860827060 QDOQWKZHDJXOQA-VXPUYCOJSA-N 468.556 3.467 10 10 JGCE CC/C(=C\C(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(OC)cc1 1866688431 MEXDGUGIXSLLSO-BRGVFWSASA-N 498.535 3.380 10 10 JGCE O=C(C[C@@H](c1ccccc1)C1CC1)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866725993 AACPGWODJJFBSW-UPVQGACJSA-N 482.536 3.462 10 10 JGCE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(F)cc4)n(C(C)(C)C)[nH]3)CC2)cc1 1869970086 FATAFLMYBXYXTM-UHFFFAOYSA-N 452.534 3.182 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873167610 PHVPIUXRBIJBGE-UHFFFAOYSA-N 488.636 3.392 10 10 JGCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc([N+](=O)[O-])cc2)N3)CC1 14550815 IPOPEDBCTCTDJW-QTEQDKRBSA-N 454.552 3.357 10 10 JGCE O=C(Cn1cc(/C=C2/C(=O)N(Cc3ccco3)C(=S)N=C2O)c2ccccc21)NC[C@@H]1CCCO1 33458242 WDBFKIHNOOGUQN-PBGVMVHZSA-N 492.557 3.197 10 10 JGCE COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccccc3OCCC(=O)O)SC2=S)cc1 210439786 IDJAHOIQUQOSET-ATVHPVEESA-N 458.517 3.095 10 10 JGCE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCCC(=O)O 210465764 IHTLQGURZVATJD-AQTBWJFISA-N 472.544 3.485 10 10 JGCE C[C@@H]1CCCN(S(=O)(=O)c2cccc(C(=O)CNC[C@@H](c3ccc(N(C)C)cc3)N(C)C)c2)C1 257636891 MZTFHWMIHZDIET-NLFFAJNJSA-N 486.682 3.248 10 10 JGCE COc1ccc(N2CCN(CCNCc3cc(Br)c4c(c3)OCCO4)CC2)cc1 742700441 GSHWVUMCXRYJBN-UHFFFAOYSA-N 462.388 3.141 10 10 JGCE CCC[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861955794 NPGKVPMXEYSNGO-NWMLYGLHSA-N 466.538 3.250 10 10 JGCE CCC[C@H](NC(=O)/C=C/c1ccc2c(c1)OCCO2)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862153335 NKADWKSQEFXHFI-JHKHSNKQSA-N 479.577 3.113 10 10 JGCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1864010644 AFVNJAIOJUNVHR-LRTDBIEQSA-N 466.513 3.399 10 10 JGCE CCCN=c1nc(Nc2ccc(NC(C)=O)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871477120 WCHQBACXWKUAKM-UHFFFAOYSA-N 476.585 3.153 10 10 JGCE COCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(C)c(Cl)c2)[nH]1 1871488945 ZKFGKOJDBRRGFH-UHFFFAOYSA-N 498.031 3.204 10 10 JGCE CC(C)(C)OC(=O)N1CCOC[C@](F)(CNCc2cc(Br)cc(F)c2O)C1 2182447663 KGYMGQVLIQTYMI-SFHVURJKSA-N 451.308 3.359 10 10 JGCE CC(NCCCN1CCOCC1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 2296809662 YRYACSYHFANNIB-UHFFFAOYSA-N 453.490 3.147 10 10 JGCE COc1cc(NC(=S)NC(=O)c2cccc(Br)c2)c(N2CCOCC2)cc1OC 20496572 YQHWYAPMRCYZKN-UHFFFAOYSA-N 480.384 3.430 10 10 JGCE CN(C1=NC(=O)/C(=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)S1)c1ccc(O)cc1 33568197 JUJUXQLXTFMJLH-UNOMPAQXSA-N 455.517 3.406 10 10 JGCE CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)(C)C)n3CCCSc3nccs3)C[C@@H]2C)CC1 1541000955 IJTVIBDHLPVNPW-PKOBYXMFSA-N 491.731 3.203 10 10 JGCE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864008775 RUZUQAVBCSQIBM-QHCPKHFHSA-N 483.528 3.057 10 10 JGCE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@H](C)C1)=C(N)O2 1865035578 XBMOXKPGQYBAMS-WCJKSRRJSA-N 489.576 3.440 10 10 JGCE COc1ccc(N2CCN(c3cc(N4[C@H](C)COC[C@H]4C)nc(-c4cccnc4)n3)CC2)cc1 1869371793 KIYQDPNMUONLQY-WOJBJXKFSA-N 460.582 3.487 10 10 JGCE CCCN(CCC)c1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCOC)C1=O 2296547602 KCFATJNVOKRECL-UHFFFAOYSA-N 460.625 3.477 10 10 JGCE COc1ccc(C=C2SC(=S)N(CCCC(=O)N[C@@H](CO)Cc3ccccc3)C2=O)cc1 2296885258 LPKOVSBZYMACCU-LJQANCHMSA-N 470.616 3.396 10 10 JGCE CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2CC(=O)NC2CCCCC2)cc1 248058512 PBIPAMUOEKSWJT-TWJOJJKGSA-N 490.604 3.044 10 10 JGCE CC1CCN(S(=O)(=O)c2ccc(C(=O)CNC[C@@H](c3ccc(N(C)C)cc3)N(C)C)cc2)CC1 257642385 PNQYFEDMKSXGKH-VWLOTQADSA-N 486.682 3.248 10 10 JGCE CC(=O)c1cc(Cl)cc(CN2CCC(N3C[C@@H](C(=O)OC(C)(C)C)CC3=O)CC2)c1O 1654976559 XEXIEBLOATVUFK-INIZCTEOSA-N 450.963 3.403 10 10 JGCE CC(C)(NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866871425 DYLUNRCGHHODNT-KRWDZBQOSA-N 495.535 3.348 10 10 JGCE COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)SCC(=O)N2C2CC2)cc1 1891991052 QFVYZWSJFQXBCV-LOSJGSFVSA-N 481.618 3.200 10 10 JGCE COc1cc(Br)cc(C=C2C(=O)NN(c3cccc(Br)c3)C2=O)c1O 2293835817 ROCSAKAXVUYFDF-UHFFFAOYSA-N 468.101 3.387 10 10 JGCE CCOc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(C)C3=O)c3ccccc32)cc1 2296538227 GWDSNCOUNVOCNG-UHFFFAOYSA-N 453.545 3.272 10 10 JGCE COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)[C@@H](C)O4)cs2)c1 11857692 DXFAUGVVHKXDFS-GFCCVEGCSA-N 475.548 3.372 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1 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COc1ccc(O)c(CN2CCC3(CCCCOCCCNC(=O)[C@@H](CC(C)C)NC3=O)CC2)c1 1615109598 SOGGVABQHPFIBQ-HSZRJFAPSA-N 489.657 3.221 10 10 JGCE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1705707396 KNSGJKQYGOYESC-UHFFFAOYSA-N 466.630 3.174 10 10 JGCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@H](C)N(CCCOC)[C@@H](C)C2)n1 1869129276 CHGBNYSFADXKAS-VXKWHMMOSA-N 482.673 3.310 10 10 JGCE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3CCC(CO)CC3)ncnc21 1873548953 QVKLLWNABXUJMS-UHFFFAOYSA-N 492.624 3.021 10 10 JGCE CCOC(=O)Cn1cc(C=C2C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)c2ccccc21 2313543673 AOQNRIBYYVRAKU-UHFFFAOYSA-N 493.541 3.053 10 10 JGCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(NCC(C)C)nc12 33760188 AYMOISWALKDHTK-ZXMBATIKSA-N 458.609 3.451 10 10 JGCE CCCCN1C(=O)/C(=C/c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC1=S 34988009 OWWQAPHVLUYLER-ICFOKQHNSA-N 486.619 3.039 10 10 JGCE COc1ccc(N2CCN(C(=O)Cn3nc(-c4ccc(Cl)cc4)c4c(C)onc4c3=O)CC2)cc1 64842098 UTWPMKCADLJVBI-UHFFFAOYSA-N 493.951 3.371 10 10 JGCE COc1cccc(C2=NN(C3=NC(=O)[C@H](CC(=O)O)S3)[C@@H](c3ccc(N(C)C)cc3)C2)c1 72413206 SUKSZGZGBKGSJT-UXHICEINSA-N 452.536 3.385 10 10 JGCE CC1=C(C(=O)OC(C)C)[C@H](c2cccs2)n2c(sc(=Cc3ccc(N(C)C)cc3)c2=O)=N1 254477915 ZIZYMASSPIYEST-NRFANRHFSA-N 467.616 3.314 10 10 JGCE O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 606672038 LIFQEMWGPSQWLQ-BRMCRPDNSA-N 471.585 3.243 10 10 JGCE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1705734444 PHZNHVTXBKXHOD-UHFFFAOYSA-N 452.534 3.407 10 10 JGCE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCN(c3nnc(C)n3C)CC2)n1 1868481184 LYGXSYWNVNHKMD-UHFFFAOYSA-N 494.559 3.068 10 10 JGCE COCCN1C(=O)C(NCCCCN2CCCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167672 RMZQEBTXMKTKQX-UHFFFAOYSA-N 464.610 3.286 10 10 JGCE CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@H]1N=Nc1ccc(S(N)(=O)=O)cc1 2297734915 MWENYTVKNHPHHR-KRWDZBQOSA-N 485.507 3.241 10 10 JGCE COc1cc(C=CC(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)cc(OC)c1OC 2325318575 GWWGWRQUQFMKII-HSZRJFAPSA-N 450.539 3.431 10 10 JGCE CCOC(=O)COc1ccc(/C=C2\C(=O)N(c3ccc(OC)cc3)C(=S)N=C2O)cc1OC 34201516 BPOAKGZGRJKDBQ-BOPFTXTBSA-N 470.503 3.317 10 10 JGCE COCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccc(OC)cc2)SC1=S 40066636 NELKVWJOSKTZII-NDENLUEZSA-N 498.630 3.424 10 10 JGCE CC(C)C[C@H](C(=O)O)N1C(=O)C[C@H](N2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)C1=O 504124942 WVLJUXXGVUCSBV-HRXNMFMWSA-N 458.561 3.071 10 10 JGCE CC(=O)N1CCc2ccc(S(=O)(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cc2CC1 1309025670 WFDRLKDMDOEUEO-UHFFFAOYSA-N 455.624 3.445 10 10 JGCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4ccc(NC(C)=O)cc4)cn3)CC2)cc1 1858432689 PYLMXEAKKKMQMA-UHFFFAOYSA-N 481.578 3.176 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)Cc3ccccc3F)CC2)cc1 1862249901 HOBFLXLWZAMXSD-SANMLTNESA-N 475.564 3.453 10 10 JGCE CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)ccc1O[C@H](C)C(=O)O 2895320 AHDPRHTVVRYTSC-CLXYIWAZSA-N 468.531 3.385 10 10 JGCE COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3F)C2=O)c(C(=O)O)c1OC 210402950 IQVOHVFWPOWFOW-ZROIWOOFSA-N 462.480 3.087 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)c3nc(C)n(-c4c(Cl)cccc4Cl)n3)CC2)cc1 728270332 ICJPIHASKKGFEJ-UHFFFAOYSA-N 489.407 3.443 10 10 JGCE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1705537984 AMRFNUOAMTVDNI-UHFFFAOYSA-N 478.622 3.156 10 10 JGCE COC(=O)c1ccc(O)c(-c2csc(NS(=O)(=O)c3ccc(OC)cc3OC)n2)c1 1858074456 XSWCWWQULFOTAL-UHFFFAOYSA-N 450.494 3.120 10 10 JGCE CCN(CC)c1ccc(CNCCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 1860708941 BDLGZKXWEGKCRZ-UHFFFAOYSA-N 482.610 3.242 10 10 JGCE CC[C@@H](C)N1C(=O)c2ccc(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)cc2C1=O 1865894473 UUVCIRCGSJFVRY-ZHRRBRCNSA-N 459.550 3.400 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(C)c4)cn3C[C@@H](C)O)CC2)cc1 1870621817 DAZPONDHZNMWKE-JOCHJYFZSA-N 477.605 3.447 10 10 JGCE COc1ccc(Nc2nc(=NCc3ccncc3)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871560848 JFPDVEYNJUTQRC-UHFFFAOYSA-N 498.591 3.388 10 10 JGCE CO[C@H](c1cc(O)nc(O)c1)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952774096 DDJAIAHMDCJVDW-FGZHOGPDSA-N 450.447 3.172 10 10 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492.620 3.236 10 10 JGCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCC(C)C)C3=O)c(N3CCN(C)CC3)nc12 2040498791 PQEBMOWXEIDOEP-UHFFFAOYSA-N 471.652 3.002 10 10 JGCE O=C(O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 2295879972 AAYFBVCMIGADEC-CYBMUJFWSA-N 462.461 3.374 10 10 JGCE N=C1C(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N=C2SC(N3CCOCC3)=NN12 2297352557 AQPIQYSSTVICKT-UHFFFAOYSA-N 492.517 3.083 10 10 JGCE COCCN1C(=O)C(=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)C(C(=O)OC)=C1C 2297453986 UMZWQSBSWXSTNN-UHFFFAOYSA-N 468.481 3.162 10 10 JGCE COc1cccc(C=C2SC(=S)N(CCNC(=O)COc3cccc(OC)c3)C2=O)c1 2320656186 STAWQOLQLPNKEC-UHFFFAOYSA-N 458.561 3.100 10 10 JGCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4ccco4)c(Cl)c3)C(=O)N=C2S1 20208534 NWRSAYGMVMJGBN-PZRDSRLZSA-N 492.922 3.164 10 10 JGCE CC[C@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccco2)C1=O 97464712 WTZWKTGJIHIPON-NGWPFTMJSA-N 470.576 3.180 10 10 JGCE O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)N3CCN(C/C=C\c4ccccc4)CC3)ccc21 97601917 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10 10 JGCE O=C(O)CN1C(=O)/C(=C2\C(O)=Nc3c(Br)cc(Br)cc32)SC1=S 38183004 TZRBEACCKCGPQK-CSKARUKUSA-N 478.143 3.469 10 10 JGCE CCOc1cc(C=O)ccc1OC[C@H](O)CN(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 40320309 AMSLRKZJUNHUGP-RPWUZVMVSA-N 456.583 3.385 10 10 JGCE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)c1 728876505 DHXIBOVRMIXAIR-UHFFFAOYSA-N 473.533 3.348 10 10 JGCE CCc1sc(NC(=O)C(=O)N[C@H](CC)CO)c(C(=O)OC)c1-c1ccc(Br)cc1 1860764101 ZJCWOJVBBJJHMN-CYBMUJFWSA-N 483.384 3.352 10 10 JGCE CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2cccs2)C1=O 1873166699 FHSKRGWAXHVFOS-UHFFFAOYSA-N 462.575 3.161 10 10 JGCE COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)C2=O)cc1 1874016242 DDLDRLZTRQIKPM-QFIPXVFZSA-N 497.507 3.310 10 10 JGCE COc1ccc(NS(=O)(=O)c2ccc(NC=C3C(=O)NC(=O)N(c4ccccc4)C3=O)cc2)cc1 2297511328 BUOKURPEUWRCIY-UHFFFAOYSA-N 492.513 3.075 10 10 JGCE Cc1cc(Br)c(N2C(=O)NC(=O)C(=CNc3ccc4nc(O)[nH]c4c3)C2=O)cc1C 2297534381 RGPGHDZRFGLUCN-UHFFFAOYSA-N 470.283 3.227 10 10 JGCE 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CCc1nn(C)c2c1[C@@H](c1cccc(F)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865552764 UJTDPUQNCILRDD-JOCHJYFZSA-N 491.567 3.174 10 10 JGCE O=C(NCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)c1ccc(Br)o1 2040489325 ADTFEBNZZVJKMG-UHFFFAOYSA-N 481.349 3.402 10 10 JGCE CC1=NN(c2ccccc2)C(=O)[C@H]1C=C1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O 2296592311 LHBFCERPQKIWCE-INIZCTEOSA-N 483.347 3.162 10 10 JGCE Cc1ccc(OCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)cc1 2297345158 XVYDUJCOELLASM-UHFFFAOYSA-N 484.559 3.074 10 10 JGCE C[C@@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc5c(c4)OCO5)n3)cc2N(C)C1=O 11857702 MFRJBBRBONQXHN-NSHDSACASA-N 459.505 3.083 10 10 JGCE COC(=O)c1c(OC[C@H]2CCCCO2)cc(=O)n2c1CCN(Cc1ccc(N3CCCC3)cc1)CC2 14888362 CLMYMJJIRNLNAS-HSZRJFAPSA-N 495.620 3.241 10 10 JGCE COc1cc(/C=C2\C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)ccc1OCc1ccccc1 20356626 DCRABJWBLVHODN-MRKXPFMVSA-N 477.546 3.183 10 10 JGCE COCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N(C)Cc2ccccc2)SC1=S 33454535 BMKQQKJUMCSXAO-DEDYPNTBSA-N 482.631 3.440 10 10 JGCE COc1ccc(N2CCN([C@H](CNC(=O)C(=O)Nc3ccccc3C)c3ccco3)CC2)cc1 38619579 JFQWWMMCGVDSGT-HSZRJFAPSA-N 462.550 3.215 10 10 JGCE CCC(=O)N1N=C(c2c(O)[nH]c(=O)n(-c3ccc(Cl)cc3)c2=O)C[C@@H]1c1ccc(N(C)C)cc1 101765315 XNUQMCUTJTUBAD-LJQANCHMSA-N 481.940 3.039 10 10 JGCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(\C)NCCCN2CCOCC2)cc1 101966751 CFZZBOILTRZFEH-LYBHJNIJSA-N 464.566 3.041 10 10 JGCE CCN1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2C)C1=O 1084496483 FUFGVYPCHDPIMA-UYRXBGFRSA-N 465.510 3.474 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cccc([N+](=O)[O-])c3)c3ccccc3)CC2)cc1 1861918541 WSZWIUCQQRCWQW-XMMPIXPASA-N 474.517 3.423 10 10 JGCE CCn1nc(C)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccc(OC)cc1)[C@@H]2c1ccc(O)c(O)c1 1864010995 XVTZCYYZHZQSGC-YEJXKQKISA-N 464.522 3.203 10 10 JGCE COCCN1[C@@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(C(C)C)n2)C[C@@H]1C 1869092925 JVRNOMUWKORXRX-VXKWHMMOSA-N 482.673 3.481 10 10 JGCE CCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(C)c(F)c2)[nH]1 1871576945 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3.081 10 10 JGCE O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(I)o1 2053498914 UZLQMTQEYWGCCO-UHFFFAOYSA-N 458.664 3.369 10 10 JGCE CN(C)c1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2C(=O)C=C2SC(=O)NC2=O)cc1 2293228104 HOIPYHOWNYOFAH-SFHVURJKSA-N 465.491 3.205 10 10 JGCE CC(C)N1C(=O)C(=C2C(=O)N(CC(=O)NCc3ccccc3)c3ccccc32)SC1=S 2296716210 IXRCMAIGNNYBPK-UHFFFAOYSA-N 451.573 3.329 10 10 JGCE COC(=O)Cn1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc21 2313574263 WPBSWYMPYJXJAQ-UHFFFAOYSA-N 498.358 3.408 10 10 JGCE O=C(O)CCCCCN1C(=O)C(=Cc2c(N3CCCC3)nc3ccccn3c2=O)SC1=S 2314401005 UOGUQJADLWKQTM-UHFFFAOYSA-N 472.592 3.141 10 10 JGCE CCOC(=O)N1CCC(N2C(=O)C(=Cc3cc(OC)c(O)c([N+](=O)[O-])c3)SC2=S)CC1 2323858177 NQMCTKLLFXNOOS-UHFFFAOYSA-N 467.525 3.131 10 10 JGCE COc1cc(C(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc(OC)c1C 12947556 KYNFBIRRHQRZFL-AWQFTUOYSA-N 486.571 3.372 10 10 JGCE O=C(CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1cc(C(=O)O)ccc1C(=O)O 16922234 YXEFUSQKAPBANG-CHHVJCJISA-N 460.464 3.062 10 10 JGCE COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(\C)NCc2ccc(S(N)(=O)=O)cc2)cc1 20288657 OMLBWOPEMQDNAF-HAVVHWLPSA-N 476.558 3.157 10 10 JGCE CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1 38619713 NKBIJDOQKMQZBL-DEOSSOPVSA-N 492.576 3.305 10 10 JGCE CC(=O)N[C@@H]1CCOc2ccc(-c3csc(NS(=O)(=O)c4ccc5[nH]c(=O)oc5c4)n3)cc21 170549520 BVWNMKVCMUPXMF-OAHLLOKOSA-N 486.531 3.005 10 10 JGCE O=C(/C=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Nc1cccc(-c2nn3cnnc3s2)c1 207416043 HSCBFULINRCCGN-ALCCZGGFSA-N 477.506 3.250 10 10 JGCE COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)ccc1OCCC(=O)O 210446626 XQVGOOCSCPEJKB-PDGQHHTCSA-N 472.544 3.403 10 10 JGCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N(CC)CC)[C@@H]2c1ccc(O)c(O)c1 1865033465 AJZQKSZIJRZMJR-CQSZACIVSA-N 454.449 3.286 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3nc(C(C)(C)C)n4ccccc34)CC2)cc1 1868786173 ZULRXWQYTHNSDN-UHFFFAOYSA-N 477.609 3.498 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cn(Cc4ccccc4Cl)c(=O)cc3O)CC2)cc1 1870119914 MUCVRIJVQIAYSV-UHFFFAOYSA-N 453.926 3.227 10 10 JGCE CCCCn1cc(OCCC(=O)OCC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870451219 XHGIPSDIFRCHJS-UHFFFAOYSA-N 471.598 3.311 10 10 JGCE COc1ccc(N2CCN(c3nc(N4CCOCC4)c4cnn(-c5ccc(F)cc5)c4n3)CC2)cc1 1873485907 GQSWNDNRQJWHEK-UHFFFAOYSA-N 489.555 3.126 10 10 JGCE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCCN(C)C)ncnc21 1875204956 DOMLUHZXTNELCE-UHFFFAOYSA-N 479.629 3.176 10 10 JGCE C[C@@H](c1ccccc1)N1C(=O)C(=Cc2c(NCCOCCO)nc3ccccn3c2=O)SC1=S 2040470336 UJZNFWZNNDMHAA-INIZCTEOSA-N 496.614 3.078 10 10 JGCE Cc1ccc2nc(N3CCN(C)CC3)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 2053497684 BLNFZSSIYVEVCO-UHFFFAOYSA-N 491.642 3.156 10 10 JGCE C[C@@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S 2296885235 KHYXNTTUKDRWGZ-ZDUSSCGKSA-N 456.545 3.070 10 10 JGCE CNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccc(OC)cc2)C1=O 33342566 LHYIHLDEMZENFN-QGOAFFKASA-N 466.588 3.497 10 10 JGCE CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H]2c4ccccc4O[C@@](C)(N=3)[C@H]2C(C)=O)cc1 39826528 GFMIYTDRYBVXHA-PVYALZIUSA-N 461.587 3.121 10 10 JGCE COc1ccc(N2CCN(c3ncnc(NC4CC(C)(C)NC(C)(C)C4)c3[N+](=O)[O-])CC2)cc1 40611174 JRILVJGJWHYJQK-UHFFFAOYSA-N 469.590 3.441 10 10 JGCE C#CCN(c1nnc(-c2ccccc2F)n1CCCSc1nccs1)[C@H]1CCS(=O)(=O)C1 1705563759 DUTMLNTXPUWNTK-INIZCTEOSA-N 491.639 3.350 10 10 JGCE CCc1cccc(OCC(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)c1 1858958472 QFOQFMPUONJEMB-UHFFFAOYSA-N 483.546 3.004 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc(Br)cc3)CC2)cc1 1862040830 QZLYYFHZCFNXRT-OAQYLSRUSA-N 472.383 3.411 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)COc3ccc(C)c(C)c3)CC2)cc1 1862194491 SXPHOFWDAQYYIS-XMMPIXPASA-N 451.567 3.031 10 10 JGCE COC(=O)COc1cn(Cc2cccc(C)c2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870447543 VONIBKQWSVKOQK-UHFFFAOYSA-N 491.588 3.088 10 10 JGCE COC(=O)COc1cn(CCN2CCOCC2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870870249 BTMZFXKUWBQBEN-UHFFFAOYSA-N 492.576 3.088 10 10 JGCE COCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccco2)C1=O 2040500506 HNEPHWAFKVNEMJ-UHFFFAOYSA-N 470.576 3.446 10 10 JGCE Cc1ccc2nc(NCc3ccco3)c(C=C3SC(=S)N(CCCC(=O)O)C3=O)c(=O)n2c1 2296712164 FTRRQJMEYJBFBT-UHFFFAOYSA-N 484.559 3.274 10 10 JGCE CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)N2CCOCC2)cc1 2296733616 GXKPQPKZHAAGFT-UHFFFAOYSA-N 460.943 3.079 10 10 JGCE CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc(-c4ccc5c(c4)NC(=O)[C@H](C)O5)cs3)ccc21 11857983 SPWNMQMFUYAEOV-LBPRGKRZSA-N 484.559 3.239 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(Cn4cc(Cl)cn4)s3)cc2)CC1 1556199337 IGVWAOGAJOKPNW-UHFFFAOYSA-N 457.987 3.245 10 10 JGCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)N[C@H](CO)c1ccccc1 1860345283 ZTYLGIUEHJZDGH-HSZRJFAPSA-N 464.525 3.424 10 10 JGCE O=C(O)CCN1C(=O)/C(=C2/C(=O)N(CC(=O)c3ccc(F)cc3)c3ccccc32)SC1=S 1860827045 PCZBGIFYWOIDEV-HNENSFHCSA-N 470.503 3.101 10 10 JGCE CCC[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861957173 ANJUOXXYBOCWES-UBLKFNIESA-N 466.538 3.250 10 10 JGCE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864013532 XWRPOXCYXDGEDG-NRFANRHFSA-N 475.549 3.384 10 10 JGCE COc1ccc(N2CCN(c3cc(N4CC(O)C4)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1867982890 HNXZRGXQCMISDK-UHFFFAOYSA-N 451.958 3.313 10 10 JGCE Cc1ccc(N2C(=O)NC(=O)C(=CNc3nc(Br)ccc3Br)C2=O)cc1 2297511540 HZVKWEAIGCOSPB-UHFFFAOYSA-N 480.116 3.494 10 10 JGCE NC(=O)C[C@H](C(=O)O)N1C(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2)SC1=S 2314541566 NYJLHPYMRHWLNZ-OAHLLOKOSA-N 476.963 3.449 10 10 JGCE COc1ccccc1C(=O)NN1C(=O)C(=Cc2ccc(OCCC(=O)O)cc2)SC1=S 2314930985 KKZDRGSZGCONKW-UHFFFAOYSA-N 458.517 3.095 10 10 JGCE CCOc1ccc(C=CC(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)cc1 2330193235 JWPCWVLCEDBLRM-UHFFFAOYSA-N 495.557 3.474 10 10 JGCE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CC(=O)O)C1=O 39836147 HRSRPTGGJFSXEH-MHWRWJLKSA-N 467.528 3.389 10 10 JGCE CCCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861918604 YPJRGNSTHSICBL-JOCHJYFZSA-N 454.527 3.241 10 10 JGCE CCOCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC)[C@H]1c1ccc(O)c(O)c1 1864015687 CXEJMVVBPWRVEN-HXUWFJFHSA-N 478.549 3.219 10 10 JGCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCc1ccncc1)=C(N)O2 1865030101 CGWZMVZQDFKHLH-QFIPXVFZSA-N 491.592 3.448 10 10 JGCE COC(=O)C[C@@H](N)C(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OC 1865966415 ZGDSORHVBYJSLK-GFCCVEGCSA-N 455.330 3.102 10 10 JGCE CCCCCOc1cn(CCN2CCOCC2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870677888 YKZPPXYAFNTECW-UHFFFAOYSA-N 498.668 3.080 10 10 JGCE CCOCCCN1C(=O)C(=Cc2c(NC[C@H]3CCCO3)nc3c(C)cccn3c2=O)SC1=S 2040466639 HRTNUQQPVLQELX-MRXNPFEDSA-N 488.635 3.222 10 10 JGCE Cc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1 2297346279 RNYVXFCOOQGECV-UHFFFAOYSA-N 461.956 3.369 10 10 JGCE C[C@H](C(=O)NCCCCCC(=O)O)N1C(=O)C(=Cc2cc(Cl)ccc2O)SC1=S 2314837713 VXEQKHCYJVXVFW-LLVKDONJSA-N 456.973 3.397 10 10 JGCE COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(F)cc3)C2=O)ccc1OCCC(=O)O 16912034 AYZNCUWSYACEHW-GZTJUZNOSA-N 476.507 3.234 10 10 JGCE Cc1ccc(OCCCOc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)cc1 20207801 XUACOGOEIPQEMQ-IJFTXDGJSA-N 498.586 3.464 10 10 JGCE CCOC(=O)CCCN1C(=O)/C(=C2/C(=O)N(C)c3ccc(Br)cc32)SC1=S 40938723 GYHHZLFEDABGRY-PFONDFGASA-N 469.382 3.340 10 10 JGCE COCCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccc(OC)cc3)C[C@@H]12 169679217 UMHRFNBXMQIODM-UNMCSNQZSA-N 463.500 3.344 10 10 JGCE CN(C)CCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(F)cc1 586203332 OTLIOFFXZBBUAB-UHFFFAOYSA-N 452.507 3.358 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)C3)CC2)cc1 1858402443 SMZXZWOKWNKPLB-INIZCTEOSA-N 498.432 3.361 10 10 JGCE Cn1c(=O)n(C)c2cc(-c3csc(NS(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)n3)ccc21 1859572805 JCPMFTNHBFAKFB-UHFFFAOYSA-N 479.927 3.363 10 10 JGCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCOC(C)C)[C@H]3c2ccc(O)c(O)c2)cc1 1864008021 AAQXMOHRKSVLBH-QFIPXVFZSA-N 478.549 3.136 10 10 JGCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864013977 KHPGAADPYKGIJE-HXUWFJFHSA-N 466.513 3.417 10 10 JGCE Cc1ccc(-n2nc(C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)c(=O)cc2C)c(C)c1 1866287268 GFTYJSOHVMTFSK-XMMPIXPASA-N 470.577 3.477 10 10 JGCE C[C@H](NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867200089 VMEFRNLUMWPCSR-HNNXBMFYSA-N 495.535 3.473 10 10 JGCE COc1cccc(OC)c1C(=O)N[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867362355 RSRHSAZNGKKMLQ-KNQAVFIVSA-N 482.625 3.232 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CCc3ccco3)CC2)cc1 1868588970 PTPMVFFGZLLXBV-VWLOTQADSA-N 477.561 3.003 10 10 JGCE CCC[C@@H](NC(=O)c1cc(C)n(-c2ccccc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868760159 HUQQOVKTXSCALB-XMMPIXPASA-N 475.593 3.437 10 10 JGCE CC[C@H](NC(=O)C[C@@H](c1ccccc1)c1nnc(C)o1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868888282 DRDDSEXHULUEPU-ZEQRLZLVSA-N 491.592 3.152 10 10 JGCE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccc(F)cc1 2295170782 ZJQBOSSKPNSZID-UHFFFAOYSA-N 468.462 3.063 10 10 JGCE CC(=O)NCCc1c(C=C2C(=O)NC(=O)N(c3ccccc3Cl)C2=O)[nH]c2ccccc12 2296937109 QSBFVGRRPSLMHD-UHFFFAOYSA-N 450.882 3.166 10 10 JGCE CCN(CC)CCOC(=O)c1ccc(NC=C2C(=O)NC(=S)N(C3CCCCC3)C2=O)cc1 2296946578 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PSUUUUBEIDBISD-UHFFFAOYSA-N 450.026 3.423 10 10 JGCE CN1CCc2cc([C@H](CN)N3CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC3)ccc21 2194839788 VCNSZRVVTJYNIL-NRFANRHFSA-N 475.634 3.384 10 10 JGCE Cc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c(C)n1-c1ccccc1Cl 2297345224 DEVHNQUPTUDCNF-UHFFFAOYSA-N 461.956 3.369 10 10 JGCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1OCC(=O)O 2314932502 NBLTVHRQTXWIMA-UHFFFAOYSA-N 488.543 3.104 10 10 JGCE O=C(CN1C(=O)C(=CC=Cc2ccccc2)SC1=S)Nc1cc(C(=O)O)cc(C(=O)O)c1 2314936478 YGPYDWZQFVZAMK-UHFFFAOYSA-N 468.512 3.479 10 10 JGCE C[C@@H](C(=O)OC1CCCCC1)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326944837 MVCDILFTTVHMHA-ZDUSSCGKSA-N 488.587 3.344 10 10 JGCE CCS(=O)(=O)c1ccc(-c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)no2)cc1 40324784 COEJKLSSOLBPMD-UHFFFAOYSA-N 455.536 3.106 10 10 JGCE COCCNC(=O)c1cc2ccc(OC(=O)c3ccc(C(=O)C(=O)c4ccccc4)cc3)cc2oc1=O 40892719 ZNZVEMDZGILMRC-UHFFFAOYSA-N 499.475 3.454 10 10 JGCE Cc1c(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)sc2nc(CN(C)C)[nH]c(=O)c12 169866017 JRJYSYVFXNLKIZ-UHFFFAOYSA-N 472.526 3.382 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(c4ccc(Br)cc4C)C3=O)CC2)cc1 1858110187 KISFHZXRYZSJSI-FQEVSTJZSA-N 472.383 3.468 10 10 JGCE Cc1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)cc1C 1859004417 TZILXOSHHBQNQQ-UHFFFAOYSA-N 467.547 3.335 10 10 JGCE CC[C@@H](C(=O)OCC(C)C)N1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860827238 VLRNIDULPQNUBT-DNZUHHBVSA-N 476.576 3.057 10 10 JGCE COc1ccc(N2CCN(c3cc(N4CCN(C)CC4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1867993855 DKQVEXQWZMZPQF-UHFFFAOYSA-N 474.609 3.239 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3n[nH]c4c3CCCC4)c3ccccc3)CC2)cc1 1868769649 GLCFPJSLRGHIOW-DEOSSOPVSA-N 473.577 3.117 10 10 JGCE O=C(Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21)NCc1cccs1 2313656682 XTKMPGOACKAPTA-UHFFFAOYSA-N 488.525 3.274 10 10 JGCE COc1cc(C=C2SC(=S)N([C@H](CCC(N)=O)C(=O)O)C2=O)ccc1OCc1ccccc1 2323813701 UAWTVQJIBWRLST-MRXNPFEDSA-N 486.571 3.194 10 10 JGCE Cc1cccc(C)c1-n1c(C)cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c1C 20207913 DQAOTRIFIACOTD-WZBMNHFVSA-N 455.565 3.332 10 10 JGCE Cc1cccc(COc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)c1 96459783 NTSJFEAOXNGMIG-WBIXSPHCSA-N 454.533 3.195 10 10 JGCE COc1ccccc1C(=O)NN1C(=O)/C(=C/c2cccc(OCCC(=O)O)c2)SC1=S 210421756 FTWUWQXHGYHYJS-ATVHPVEESA-N 458.517 3.095 10 10 JGCE C[C@@H](Oc1cccc(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)c1)C(=O)O 1614234153 DLOZRVAIDILSRH-FDQPYJBLSA-N 457.529 3.436 10 10 JGCE O=C(CCNCc1cc(Cl)ccc1O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 1860715294 RXBPVMOWHDVDII-UHFFFAOYSA-N 496.376 3.408 10 10 JGCE C[C@H](C(=O)Nc1ccccc1)N1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860827035 OSEMRMAMEDUHHP-LTFJSZEESA-N 481.555 3.107 10 10 JGCE CCc1nc2ccc(C(=O)N3CCC[C@@H]3C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2[nH]1 1861891826 VEUHTEBRNAZZLA-HSZRJFAPSA-N 461.566 3.087 10 10 JGCE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864011023 CWEFRCGJDZEUJA-HXUWFJFHSA-N 466.925 3.278 10 10 JGCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCO)=C(N)O2 1865032997 PKZUIXOAHSRBMU-HXUWFJFHSA-N 498.967 3.035 10 10 JGCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3cccc(C)c3)CC2)cc1 1865559298 SUZGFGLOTNCOOJ-HSZRJFAPSA-N 473.577 3.089 10 10 JGCE COc1cccc([C@@H](C)CC(=O)N[C@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 1867110527 JAKFOXRXJIMJBH-QMHKHESXSA-N 486.524 3.080 10 10 JGCE CCOC(=O)CN(C)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccccc2)n1 1867973076 IKONYPIHFLYFMK-UHFFFAOYSA-N 461.566 3.478 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccccn3)CC2)cc1 1874642726 LTSHZPZBVSBQPZ-SANMLTNESA-N 483.572 3.261 10 10 JGCE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCCCCO)ncnc21 1875205646 RYJSIZZRHDGSQO-UHFFFAOYSA-N 480.613 3.387 10 10 JGCE COc1cc(C=C2C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OC(C)=O 2297310576 HIAHMCRLZOBVJB-UHFFFAOYSA-N 459.296 3.461 10 10 JGCE C[C@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc5c(c4)OCCO5)n3)cc2N(C)C1=O 11857714 DFPXKCDOTIHUNV-GFCCVEGCSA-N 473.532 3.126 10 10 JGCE COc1ccc(/C=C2\SC(N3CCN(C(=O)c4ccccc4[N+](=O)[O-])CC3)=NC2=O)cc1 33597871 AGXLLPVJFKDAEJ-RGEXLXHISA-N 452.492 3.032 10 10 JGCE COc1ccc(/C=C2\SC(=S)N([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)C2=O)cc1OC 101974259 BIMZNTIAKHWWQI-PACYTGELSA-N 472.519 3.376 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)c3cnc4c(cnn4Cc4ccccc4)c3)CC2)cc1 742919651 BOYAUOHLQWYGMH-UHFFFAOYSA-N 470.577 3.040 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccccc3COc3ccccc3)CC2)cc1 743431994 COKCZWIETNGOLW-UHFFFAOYSA-N 488.588 3.151 10 10 JGCE COc1cc(N2CCC(NS(=O)(=O)c3ccc(Br)cc3)CC2)cc(OC)c1OC 1858044492 WTEGLXVJEWPPDQ-UHFFFAOYSA-N 485.400 3.422 10 10 JGCE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864009260 CYPYOWWTXZQHRW-JOCHJYFZSA-N 493.564 3.005 10 10 JGCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1864012266 WHSNZELQSVXZKI-ASSNKEHSSA-N 466.513 3.399 10 10 JGCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)C[C@@H](C)C1)=C(N)O2 1865030299 HMXROZKMPDRMID-SXGZJXTBSA-N 454.571 3.466 10 10 JGCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC[C@H]1CO)[C@@H]2c1ccc(O)c(O)c1 1865031270 CYYOYNYFQZBHNJ-GHTZIAJQSA-N 490.560 3.049 10 10 JGCE CC[C@@H](NC(=O)c1cc(-c2cc(F)ccc2F)n(C)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868943491 ZMOBILNSFNYKLS-JOCHJYFZSA-N 497.546 3.231 10 10 JGCE COc1cc(OC)c([N+](=O)[O-])cc1C=C1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O 2313560961 NMFGJVXSGPOGHB-UHFFFAOYSA-N 492.307 3.206 10 10 JGCE COCCOC(=O)[C@@H](C)n1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945444 VPMBGBREOJNBKA-CQSZACIVSA-N 476.576 3.458 10 10 JGCE O=C(O)CCNC(=O)CN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 15036502 OBXVRXMKJUGQMQ-PDGQHHTCSA-N 456.545 3.058 10 10 JGCE CC(C)N1C[C@@H](NC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)CC1=O 1860347496 RRHPUNYKKQMGRT-HMILPKGGSA-N 499.615 3.304 10 10 JGCE CCC[C@@H](NC(=O)C(=O)Nc1sc(C)c(-c2ccc(F)cc2)c1C(=O)OCC)C(=O)O 1860758731 LLKXTYDXPLEGHV-CQSZACIVSA-N 450.488 3.347 10 10 JGCE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865028999 CXQDGRPQWIROIB-ZSDSOXJFSA-N 454.571 3.458 10 10 JGCE CC(C)(C)N(CCO)C(=O)CN1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2053496781 KZLXJWHKKKGGPY-UHFFFAOYSA-N 457.415 3.270 10 10 JGCE Cc1cc(N2CCOCC2)ccc1C=C1NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 2297316255 KNLVCXLHTGGNGC-UHFFFAOYSA-N 454.914 3.016 10 10 JGCE O=C(NN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S)c1cc(O)nc2ccccc12 2297497698 HVXDHASVPRKLPJ-UHFFFAOYSA-N 452.473 3.395 10 10 JGCE CCOC(=O)c1c(-n2c(C)cc(C=C3C(=O)NC(=O)N(C)C3=O)c2C)sc2c1CCCC2 2297550932 OPNMUCMNGIQRPP-UHFFFAOYSA-N 455.536 3.303 10 10 JGCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(OC)c([N+](=O)[O-])c3)C2=O)c1 2313557085 SSKCBNIGYPTLAA-UHFFFAOYSA-N 455.423 3.067 10 10 JGCE CC[C@H](C)N1C(=O)C(=Cc2c(N3C[C@H](C)O[C@H](C)C3)nc3ccccn3c2=O)SC1=S 2314400395 LRKLJLTYHJXQEF-SOUVJXGZSA-N 458.609 3.308 10 10 JGCE CCOCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCCOCC)C1=O 2314414400 XWMPTAZJDUBXKJ-UHFFFAOYSA-N 476.624 3.161 10 10 JGCE Cc1ccc2nc(NC[C@@H]3CCCO3)c(C=C3SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 2314414923 QYAONWZAEFHSQP-HNNXBMFYSA-N 458.609 3.451 10 10 JGCE COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@@H]3C=CC[C@H]32)c1O 14459750 CSOVSSQGGNMRKH-PMAPCBKXSA-N 455.580 3.163 10 10 JGCE CCN(CC)c1ccc([C@H]2CC(c3c(O)[nH]c(=O)n(-c4cccc(Cl)c4)c3=O)=NN2C(C)=O)cc1 101456242 LACDMPVDBMJEMO-OAQYLSRUSA-N 495.967 3.429 10 10 JGCE CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)N=c3sc(=Cc4ccc(OC)cc4)c(=O)n32)cc1 254740660 FOTWPPKKRIDJSP-DEOSSOPVSA-N 491.613 3.263 10 10 JGCE CCN(CC)c1ccc(CN(C[C@@H](O)COc2ccccc2C)[C@H]2CCS(=O)(=O)C2)cc1 256037651 GVUBRUVJROQXIU-BJKOFHAPSA-N 460.640 3.270 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)Nc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)CC2)cc1 742927985 FAGGLUNLOADPCT-BGYRXZFFSA-N 485.604 3.392 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc(N(C)C)cc3)CC2)cc1 1862295337 RHPRAAXTZKKSKO-MHZLTWQESA-N 486.616 3.451 10 10 JGCE COc1ccc(C(=O)N[C@@H](C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867314435 IIYJBLKYSZSWGH-CYFREDJKSA-N 452.599 3.223 10 10 JGCE CCC[C@H](NC(=O)c1nc(C2CC2)n2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868778988 ZUDUWDBZAFCYFS-QFIPXVFZSA-N 475.593 3.468 10 10 JGCE CCOc1ccc(Nc2nc(=NCCCOC)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871530581 HZGGAWXKLONAME-UHFFFAOYSA-N 493.612 3.219 10 10 JGCE CCN(CC)CCOC(=O)c1ccc(NC=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1 2296936236 IZWUYZUGNHLWIF-UHFFFAOYSA-N 484.553 3.068 10 10 JGCE CC(=O)Oc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccc(O)cc4C(=O)O)cc3C2=O)cc1 33794396 OQUYJSHLUVNZJV-UHFFFAOYSA-N 460.398 3.069 10 10 JGCE COc1ccc(OC)c(N2C(=O)/C(=C3/C(=O)N([C@@H](C)C(=O)O)c4ccccc43)SC2=S)c1 38204241 XDKMMDKVCYHKCC-FJTVPBJSSA-N 470.528 3.300 10 10 JGCE COCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2NCc2ccco2)SC1=S 208270370 XUPWTQAWPMMWAW-LICLKQGHSA-N 458.565 3.008 10 10 JGCE Cc1cc(CCNC(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c(C)n1-c1ccccc1 726234006 LJLWTZRZMFDJKY-SANMLTNESA-N 459.550 3.191 10 10 JGCE COC(=O)c1ccnc(NC(=O)CCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 1858762551 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O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccccc1NC(=O)C(F)(F)F 16450223 HVZVFLIUQOEIIK-FMIVXFBMSA-N 452.776 3.420 10 10 JGCE CN(C)c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCSCC3)ccc2Cl)cc1 33131502 ALYHHHOOXVQZLH-UHFFFAOYSA-N 454.017 3.074 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)CC2)cc1 743431995 CPCADZRYFLXQKR-UHFFFAOYSA-N 494.592 3.004 10 10 JGCE COc1ccc(N2CCN(C(=O)Cc3csc(NC(=O)Cc4ccc(F)cc4)n3)CC2)cc1 1858114910 ZHCIUMLQUXDXNJ-UHFFFAOYSA-N 468.554 3.363 10 10 JGCE CN(C)c1ccc(CNCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 1860708656 RKBABDKRYBMANC-UHFFFAOYSA-N 453.568 3.067 10 10 JGCE CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1864021895 HTZGWFAOEUIGAP-AWEZNQCLSA-N 454.449 3.190 10 10 JGCE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCc3ccccc3C1)[C@H]2c1ccc(O)c(O)c1 1865026283 LSKKUBNVWVVAIR-QFIPXVFZSA-N 460.534 3.292 10 10 JGCE COc1ccc(C(=O)N=c2nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]n2C(C)(C)C)cc1 1869970018 CNTFSJZKZAUXMA-UHFFFAOYSA-N 464.570 3.051 10 10 JGCE CCCCCCOc1cn(CCOCCO)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870674191 ISTDSHUOZKRJAL-UHFFFAOYSA-N 487.641 3.147 10 10 JGCE CC1=C(C(=O)OC(C)C)[C@@H](c2cccs2)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N1 630931 ZIZYMASSPIYEST-CNSVBDKNSA-N 467.616 3.314 10 10 JGCE CCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc5c(c4)OCCO5)n3)cc21 11857708 FQBMTXDQKMTSHJ-UHFFFAOYSA-N 473.532 3.127 10 10 JGCE COc1ccc(N2CCN(C(=O)CCC[C@@H]3[C@H]4CCCN5CCC[C@@H](CN3C)[C@@H]45)CC2)cc1 257197178 ZPDGMILAAKERHA-BAGOZOHOSA-N 454.659 3.319 10 10 JGCE CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCNC(=O)C(C)C)CC1 1301693183 SWDIAWGAQBYNNS-UHFFFAOYSA-N 491.640 3.183 10 10 JGCE CC(=O)N1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCSCC3)cc2)[C@@H](C)C1 1690852788 MLCXCTQLAONPGO-IBGZPJMESA-N 456.660 3.135 10 10 JGCE CCCn1cccc(C(=O)N[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)c1=O 1862019226 NCFFCYUIOMFCLY-RUZDIDTESA-N 488.588 3.087 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)C(C)C)CC2)cc1 1862300203 OTZULMSQPLSEAD-QHCPKHFHSA-N 455.624 3.418 10 10 JGCE CN(C)c1ccc([C@H](CNC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2O)N2CCCCC2)cc1 1866269114 YXDOUANPXMWULK-QFIPXVFZSA-N 479.556 3.100 10 10 JGCE COc1ccc(C=C2SC(=S)N(CC(=O)Nc3ccccc3C(=O)O)C2=O)cc1OC 2296885253 LMCMGXGPHMJPPZ-UHFFFAOYSA-N 458.517 3.242 10 10 JGCE COC(=O)c1ccc(N2NC(=O)C(=Cc3ccc(OC(=O)c4ccccc4)c(OC)c3)C2=O)cc1 2297307445 VMFZCQTZPJEGPZ-UHFFFAOYSA-N 472.453 3.162 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)c3cc(Cl)ccc3Cl)CC2)cc1 11796503 ZQVLXEHHCVQCSK-UHFFFAOYSA-N 486.421 3.274 10 10 JGCE COc1ccc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2)cc1 101350152 BUOKURPEUWRCIY-RCCKNPSSSA-N 492.513 3.075 10 10 JGCE CC(=O)N[C@H](C(=O)NCc1cccc(Br)c1O)c1cccc(Br)c1 1297439744 IZJMHBVFAATXDJ-HNNXBMFYSA-N 456.134 3.411 10 10 JGCE CCN(CC)c1ccc(C=c2sc3n(c2=O)[C@H]2c4ccccc4O[C@@](C)(N=3)[C@H]2C(C)=O)cc1 1772725303 GFMIYTDRYBVXHA-JCYRPKCISA-N 461.587 3.121 10 10 JGCE CCCCN1C(=O)C[C@H](C(=O)NCCc2ccc(O)c(O)c2)[C@@H]1c1cccc(OC)c1OC 1860319055 IQABNYNQCKWWJR-MBSDFSHPSA-N 456.539 3.164 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)cc1 1862110178 MKVQOYOSYOZMNA-KRWDZBQOSA-N 459.974 3.360 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@@H](C)Oc3ccccc3C(C)C)CC2)cc1 1862208786 JXURECXDTZXRTH-VQTJNVASSA-N 453.583 3.439 10 10 JGCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864013657 FALGDRAYTXJSCC-HXUWFJFHSA-N 472.586 3.283 10 10 JGCE CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(C(F)(F)F)c2)[nH]1 1871497958 MHIZDWXSGABHOK-UHFFFAOYSA-N 473.503 3.245 10 10 JGCE COc1ccc(N2CCN(c3nc(=NC[C@H]4CCCO4)[nH]c(=Nc4cccc(Cl)c4)[nH]3)CC2)cc1 1871646602 LFBLNCWCMZAMPY-JOCHJYFZSA-N 496.015 3.039 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nonc3OCc3cc(=O)oc4ccc(C)cc34)CC2)cc1 1872678036 QMBZTUJOOAEQQO-UHFFFAOYSA-N 476.489 3.034 10 10 JGCE CC(=O)NCCN1C(=O)C(Nc2cccc(NC(C)=O)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422419 WPUXUKVGUSJRIO-UHFFFAOYSA-N 499.571 3.381 10 10 JGCE O=C1N=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)SC1=Cc1ccc(O)c([N+](=O)[O-])c1 2053504862 LETJXKGJEHKCNH-UHFFFAOYSA-N 455.452 3.001 10 10 JGCE COC(=O)Cn1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c2ccccc21 2294124689 YXJTWAQSDLMDRK-UHFFFAOYSA-N 451.866 3.443 10 10 JGCE COc1cc2c(cc1C=C1C(=O)NC(=S)N(c3ccc(Br)cc3C)C1=O)OCO2 2294229009 DEAIGZXOYJZMJD-UHFFFAOYSA-N 475.320 3.326 10 10 JGCE C[C@H](Oc1ccccc1C=C1SC(=S)N([C@@H](Cc2ccccc2)C(=O)O)C1=O)C(=O)O 2314926220 DJFYIMHVZQHGDD-BBRMVZONSA-N 457.529 3.436 10 10 JGCE COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(F)cc3)C2=O)c(C(=O)O)c1OC 16906221 HNAFBBJKCPSTSZ-NTEUORMPSA-N 462.480 3.087 10 10 JGCE Cc1c(N2C(=O)/C(=C\c3cccc(OCC(=O)O)c3)SC2=S)c(=O)n(-c2ccccc2)n1C 16909710 FAZOCRKVVJZVHA-LDADJPATSA-N 481.555 3.354 10 10 JGCE CCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2C[C@H](C)O[C@H](C)C2)SC1=S 33451603 GHFCHLGUNHWHMC-BGETUVHESA-N 460.625 3.180 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)/C=C/c3ccc(C(=O)OC(C)(C)C)o3)cc2)CC1 1154275577 GXEWLSNYMMRKDZ-ZRDIBKRKSA-N 453.539 3.233 10 10 JGCE C#CCN(c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 1705559777 BHHBVBJCKWIIGP-HSZRJFAPSA-N 495.649 3.406 10 10 JGCE COc1cc(N2CCC(NS(=O)(=O)Cc3ccc(Cl)cc3)CC2)cc(OC)c1OC 1858044438 UOKCXMFYWQBPMB-UHFFFAOYSA-N 454.976 3.454 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3cccc(OC)c3)CC2)cc1 1862046464 VLQDMGRTAWZJHS-AREMUKBSSA-N 489.572 3.099 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)COc3cc(Cl)ccc3Cl)CC2)cc1 1862196085 KEMZALCPNPRXTH-OAHLLOKOSA-N 466.365 3.234 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)COc3c(C)ccc(C)c3C)CC2)cc1 1862200191 OEKBBVQMQQREKP-HSZRJFAPSA-N 483.634 3.250 10 10 JGCE CC[C@](C)(NC(=O)/C=C/c1ccc(C(=O)OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862261920 WQBQQFUCGRJSJQ-HJTIZKHNSA-N 479.577 3.129 10 10 JGCE COc1ccc(N2CCN(C(=O)CNC(=O)CCc3nc(-c4ccc(F)cc4)cs3)CC2)cc1 1868911205 AEGCIRKUQZOPRG-UHFFFAOYSA-N 482.581 3.355 10 10 JGCE COCCn1c(C(=O)N2CCCCC2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873557839 ZMDRXDCXJMJIGH-UHFFFAOYSA-N 478.597 3.039 10 10 JGCE Cc1cc(-n2c(C)cc(C=CC(=O)N3C[C@H](C(=O)N4CCOCC4)Oc4ccccc43)c2C)no1 2040484048 RTHAJDGQKQRHRP-HSZRJFAPSA-N 476.533 3.057 10 10 JGCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1O 2296775430 BJOZHLNEJINALC-UHFFFAOYSA-N 461.268 3.147 10 10 JGCE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)C1=Cc1ccc(-c2ccccc2C(=O)O)o1 2297309345 MFAUPOYGLDVFKL-UHFFFAOYSA-N 451.460 3.098 10 10 JGCE CC[C@@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)c1)C(=O)O 2314930999 KOWLDWFUTGYYBN-MRXNPFEDSA-N 487.515 3.383 10 10 JGCE CCOc1ccc(C=CC(=O)N2CSC[C@@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 2330592455 HDRHNRPSFOEQQU-XMMPIXPASA-N 481.618 3.357 10 10 JGCE CC1=NN(c2ccc(C(=O)OC(C)C)cc2)C(=O)/C1=C/c1cccn1-c1ccc(S(N)(=O)=O)cc1 670163 HTTLFCIXRYLGOB-HZHRSRAPSA-N 492.557 3.496 10 10 JGCE CCOc1ccc(N2C(=O)/C(=C/c3ccc(O[C@H](C)C(=O)O)c(OCC)c3)C(=O)NC2=S)cc1 2882761 VNXULTMADYZUBU-CRRKTRLDSA-N 484.530 3.167 10 10 JGCE COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@@H](C)O4)cs2)c(OC)c1 11857679 FLXGPSCHXYWMHQ-LLVKDONJSA-N 461.521 3.348 10 10 JGCE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCC(=O)NCCCN2CCOCC2)C1=O 33932669 ZXOGONLHNSWSJF-OPMCAQPSSA-N 459.637 3.063 10 10 JGCE CN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc2c(c1)OCO2)C(=O)c1cccc(F)c1 35962827 UBNFQUSASYYJTL-NRFANRHFSA-N 462.481 3.343 10 10 JGCE CCOC(=O)c1c(C)n(C)c2ccc(OC)c(N/C=C3/C(=O)N=C(S)N([C@@H](C)CC)C3=O)c12 102715122 ZLRYZNDIQDNQTL-PBBNAPBQSA-N 472.567 3.421 10 10 JGCE CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)[C@@H]1/N=N/c1cc(C)c(Cl)cc1S(=O)(=O)O 111851431 MYFSKIUNYLWHHC-ZBBYCGENSA-N 486.915 3.017 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)N[C@H](c3nc4ccccc4[nH]3)C(C)C)CC2)cc1 743362628 GKDAKEZZZLTSPD-QHCPKHFHSA-N 450.587 3.390 10 10 JGCE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 1524702591 CGXMTEQSUXAVPZ-OAHLLOKOSA-N 451.011 3.002 10 10 JGCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)/C=C/c3ccc(F)cc3)cc2)cc1 1858958890 WADGVTFVHSHNME-LHHJGKSTSA-N 469.494 3.215 10 10 JGCE COc1ccc(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)n(C)c(=O)n3C)c(C)s1 1859572443 IDSLFSWUXQCDPU-UHFFFAOYSA-N 458.565 3.427 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3ccc(-n4cccc4)cc3)CC2)cc1 1862263902 DHSHUNQJAPTOPE-XMMPIXPASA-N 476.602 3.350 10 10 JGCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC1CCCCC1)[C@H]2c1ccc(O)c(O)c1 1864022390 MYYLNFYTAZXVRL-HNNXBMFYSA-N 466.460 3.477 10 10 JGCE CC(=O)NCCN1C(=O)C(NCCc2ccc(F)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162075 FHVDDKFMMAQSCO-UHFFFAOYSA-N 488.563 3.282 10 10 JGCE CCN1CCN(c2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N(Cc3ccco3)C2=O)CC1 2053466608 RUPISZZYYKGEMC-UHFFFAOYSA-N 495.630 3.139 10 10 JGCE Cc1cc(C=C2C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 2294095305 PCELANAUQFZJOQ-UHFFFAOYSA-N 461.434 3.281 10 10 JGCE O=C(O)CCN1C(=O)C(=Cc2c(Oc3ccccc3F)nc3ccccn3c2=O)SC1=S 2296851501 JJGCGZURZFKZHN-UHFFFAOYSA-N 471.491 3.302 10 10 JGCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)N=C2S1 20208471 IAYDQGZRVOZYHD-WBIXSPHCSA-N 455.565 3.414 10 10 JGCE COCCCN1C(=O)/C(=C\c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 33546169 NAKOYDQGKQOCOF-XWALVKJWSA-N 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CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2 1864019165 HJJZKLYMFOVZLJ-QFIPXVFZSA-N 492.576 3.061 10 10 JGCE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNCc2cc3c(cc2O)OCO3)C1 2140604395 VBJIIMSZPZZIDC-HXUWFJFHSA-N 455.555 3.332 10 10 JGCE CC(C)(C)OC(=O)N1CCc2c(N3CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C3)ccc(N)c2C1 2162987679 MRWGAFDLINQBIZ-KRWDZBQOSA-N 476.618 3.370 10 10 JGCE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200964468 QBGOIHQINAYZKO-RDJZCZTQSA-N 479.574 3.001 10 10 JGCE CCN(CCO)C(=O)CCCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2296755516 HRLIMDJGFYDLBS-UHFFFAOYSA-N 457.415 3.271 10 10 JGCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=CNN1CCCC[C@@H]1c1cccnc1 2297638879 BBHOMUNUAXFZEW-GOSISDBHSA-N 470.327 3.043 10 10 JGCE CCCCN1C(=O)C(=Cc2c(N3C[C@H](C)O[C@H](C)C3)nc3ccccn3c2=O)SC1=S 2314399651 AXCXOYWGVNTPTI-GASCZTMLSA-N 458.609 3.309 10 10 JGCE Cc1ccc(CN(C(=O)CN2C(=O)C(=Cc3ccccc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 2314600216 RYQXNZZKSXAPOM-QGZVFWFLSA-N 490.628 3.005 10 10 JGCE C[C@@H](NC(=O)CCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)C(=O)O 15040744 DXKGSQJTCIROED-PEHNMLCRSA-N 457.371 3.020 10 10 JGCE O=C(C1=CN(c2cccc(C(F)(F)F)c2)c2cc(F)ccc2S1(=O)=O)N1CCOCC1 65096351 JGHCYOONEZGGKC-UHFFFAOYSA-N 456.417 3.470 10 10 JGCE COCCNc1ccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc1[N+](=O)[O-] 108898669 TURWYDFEEHCJEG-UHFFFAOYSA-N 453.543 3.437 10 10 JGCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)Nc1cccc(OC)c1OC 205949339 TTZOHIWXUSPDOF-DEDYPNTBSA-N 454.439 3.264 10 10 JGCE COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(\C)NCCc2ccc(S(N)(=O)=O)cc2)cc1 205962806 CCSSXFAPGBFEQZ-HKOYGPOVSA-N 490.585 3.200 10 10 JGCE CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 727476749 DSALMZZAJHONBA-UHFFFAOYSA-N 453.631 3.111 10 10 JGCE CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)cc21 1213978184 GNWHSDBGLMVPSA-MZNJEOGPSA-N 458.628 3.194 10 10 JGCE O=C(Nc1ccc(Br)cn1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1860752247 OSQNDQBKEIPKBY-UHFFFAOYSA-N 450.248 3.197 10 10 JGCE CCOC(=O)c1c(NC(=O)CNCC(=O)O)sc(C)c1-c1ccc(Br)cc1 1866109686 PTZXXHZUKQMSHS-UHFFFAOYSA-N 455.330 3.275 10 10 JGCE COc1ccc(N2CCN(C(=O)CNC(=O)Cc3nc(-c4cccc(Cl)c4)oc3C)CC2)cc1 1868647068 FQJGLUNXFAMNHF-UHFFFAOYSA-N 482.968 3.320 10 10 JGCE O=C(NC1CC1)c1nn(Cc2cccc(F)c2O)c(C(F)(F)F)c1I 2079260837 PKUFZWAJQDUPAM-UHFFFAOYSA-N 469.176 3.292 10 10 JGCE CCOC(=O)CSCCOc1ccc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OC 2293456955 OUQFMVUPZDFKPN-UHFFFAOYSA-N 498.557 3.345 10 10 JGCE C[C@@H](Oc1ccccc1C=C1SC(=S)N(c2cc(C(=O)O)cc(C(=O)O)c2)C1=O)C(=O)O 2314926464 JWGFWKXLXBJRNU-SNVBAGLBSA-N 473.484 3.341 10 10 JGCE O=C1/C(=C\c2c(NCCCO)nc3ccccn3c2=O)SC(=S)N1CCCc1ccccc1 33513523 WBDKMRPRLDOAJP-KNTRCKAVSA-N 480.615 3.323 10 10 JGCE CCCCn1c(N2CCCC2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O 39990370 ZLZPMAYUHYMFAP-AQTBWJFISA-N 488.635 3.495 10 10 JGCE COc1ccc(N2CCN([C@@H](CNC(=O)c3ccc4c(c3)OCO4)c3cccnc3)CC2)cc1 56896163 RAZVKIFESPAAHQ-QHCPKHFHSA-N 460.534 3.112 10 10 JGCE C[C@@H](C(=O)OC1CCCCC1)N1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860826787 MVCDILFTTVHMHA-UNQMGURYSA-N 488.587 3.344 10 10 JGCE Cc1ccc(C(=O)CCC(=O)N[C@@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(C)c1 1867089864 DJKMEDMLMHBCJA-QHCPKHFHSA-N 498.535 3.158 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)CCc3ccco3)CC2)cc1 1868589427 XLQNIYNBTBEQJN-VWLOTQADSA-N 479.552 3.436 10 10 JGCE CC[C@](C)(NC(=O)[C@H]1CCCN1Cc1ccccc1F)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868821786 PDCLFRGKBFERHO-NAKRPHOHSA-N 496.627 3.432 10 10 JGCE NC(=O)C1(NCc2cc(Cl)cc(Br)c2O)CCN(Cc2ccccc2)CC1 2154497508 IBTDHNIFKJDZPG-UHFFFAOYSA-N 452.780 3.418 10 10 JGCE Cc1cc(C(=O)CN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)ccc1F 2326945134 UFCDEWNHTFFBHB-UHFFFAOYSA-N 484.530 3.410 10 10 JGCE COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3C)C2=O)c(C(=O)O)c1OC 16906216 OROSENJNPZFJIA-XNTDXEJSSA-N 458.517 3.257 10 10 JGCE Cc1ccccc1/C=C1\SC(=S)N(CC(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)C1=O 16921575 YRPYZXHJJPFWNH-SXGWCWSVSA-N 456.501 3.231 10 10 JGCE CCCCCN1C(=O)/C(=C\c2c(N3CCOCC3)nc3c(C)cccn3c2=O)SC1=S 33467421 UUJBBKGCEHPWDV-SAPNQHFASA-N 458.609 3.231 10 10 JGCE Cc1nc(-c2cc(S(=O)(=O)NCc3ccc(N(C)C)cc3)cn2C)sc1C(=O)N1CCCC1 65137463 SPFDSJVVITWMBE-UHFFFAOYSA-N 487.651 3.238 10 10 JGCE COc1cc(/C=C/C(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)cc(OC)c1OC 1865911394 GWWGWRQUQFMKII-LZMFZKJZSA-N 450.539 3.431 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCC3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873165538 NGBRPCSUMBQJHZ-UHFFFAOYSA-N 476.621 3.429 10 10 JGCE COc1ccc(N2CCN(c3ncnc4c3ccc(=O)n4-c3ccc(N(C)C)cc3)CC2)cc1 1873536599 JLSYHCAGSBUZLQ-UHFFFAOYSA-N 456.550 3.182 10 10 JGCE COc1ccc(C=C2SC(=S)N(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 2053467604 DMTPQCHEVNWDRM-UHFFFAOYSA-N 494.598 3.333 10 10 JGCE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200971965 PDQIKDRNDLKEQE-XIRDDKMYSA-N 479.574 3.048 10 10 JGCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OC)c(OC)c3)C2=O)cc1 2294094868 BBSRGVSHUJSZNW-UHFFFAOYSA-N 461.268 3.141 10 10 JGCE C[C@H](Oc1cccc(C=C2SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)c1)C(=O)O 2314926229 DLOZRVAIDILSRH-SUMWQHHRSA-N 457.529 3.436 10 10 JGCE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2cccc(OC)c2)C1=O)C(=O)O 2314931487 GAXVHJRNNLZBNR-MRXNPFEDSA-N 472.544 3.483 10 10 JGCE COc1ccc(N2N=C(C)C(=Cc3ccc(OCCN4CCOCC4)c(OC)c3)C2=O)cc1 2332105259 MUWIWYBZXSOFQQ-UHFFFAOYSA-N 451.523 3.221 10 10 JGCE COc1ccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O 2772824 KUOBXOWTGPATGZ-KGENOOAVSA-N 496.479 3.070 10 10 JGCE CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)cc1 10958881 MGBMZYAVLQDKEB-AWEZNQCLSA-N 456.454 3.431 10 10 JGCE CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3cccc4nsnc34)cc2s1 33299034 YTQUDTSQXUUDBZ-UHFFFAOYSA-N 454.580 3.286 10 10 JGCE CCC(CC)NC(=O)CN1O[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]1c1ccc(N(C)C)cc1 248085482 WJXMZXPAUDTKBE-SMIHKQSGSA-N 470.614 3.032 10 10 JGCE Cc1cc(CCNC(=O)NCc2cccc(C(=O)NCCN(C)C)c2)c(C)n1-c1ccccc1 727479653 KWPZWKHBRUDQRC-UHFFFAOYSA-N 461.610 3.427 10 10 JGCE 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CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)c2ccc(O)c(O)c2)CC1 2227922703 SXGSOWKTQMHJDK-UHFFFAOYSA-N 465.547 3.028 10 10 JGCE CCCOC(=O)CN1C(=O)/C(=C2\C(=O)N(CC)c3ccc(Br)cc32)SC1=S 1809483 WBAAHEULSWHMON-CCEZHUSRSA-N 469.382 3.340 10 10 JGCE COc1ccc(N2CCN(C(=O)C3CCN(CC(=O)Nc4ccc(C)cc4C)CC3)CC2)cc1 9071317 AVLHCQCIMDIIMG-UHFFFAOYSA-N 464.610 3.311 10 10 JGCE CCN(CC)c1ccc(CN(C[C@@H](O)COc2ccc(C(C)=O)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 40319060 MJRPSWSHQQCSLX-JWQCQUIFSA-N 488.650 3.164 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)c3cccn4c(=O)c5ccc(Cl)cc5nc34)CC2)cc1 61943424 WYJOEXAPQQPJIK-UHFFFAOYSA-N 491.979 3.062 10 10 JGCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOCC(F)F)CC1 1286870340 AVCUANWDNNGHNE-UHFFFAOYSA-N 472.540 3.303 10 10 JGCE COc1ccc(N2CCN(C(=O)C3CCN(c4nc(O)cc(-c5cccs5)n4)CC3)CC2)cc1 1858551740 CBEGZDLGXXUXON-UHFFFAOYSA-N 479.606 3.485 10 10 JGCE Cc1ccccc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc(N)cc2)cc1 1859003307 HQUKTZBKXVDSEO-UHFFFAOYSA-N 453.520 3.027 10 10 JGCE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2 1864008955 VUOXEEFAQXKOHZ-OAQYLSRUSA-N 498.967 3.219 10 10 JGCE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1cc(C)cc(C)c1)=C(N)O2 1864022782 YEDKPGBJNJKYSI-QFIPXVFZSA-N 492.576 3.383 10 10 JGCE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](CO)NC(=O)c2cccc3ccccc23)N2CCCCC2)cc1 1867672450 WJRFKHOXKCWDQA-KAYWLYCHSA-N 488.632 3.340 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCCCCCO)nc(Nc4ccc(F)cc4)[nH]3)CC2)cc1 1871515777 GUOMLFRXLDQSSA-UHFFFAOYSA-N 481.576 3.086 10 10 JGCE C[C@H]1CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccco3)C2=O)C[C@@H](C)O1 2040498591 NGBRNIWBBPBCIW-GASCZTMLSA-N 482.587 3.303 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2200952030 GKIHEYWYJLKNAU-HKBOAZHASA-N 467.566 3.019 10 10 JGCE COc1cccc(O)c1CNC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2259376721 CTNBYIOXOOUQHK-UHFFFAOYSA-N 451.564 3.347 10 10 JGCE NC(=O)C1CCN(C=C2SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)CC1 2296595285 LFJBUJBQZIMXAM-UHFFFAOYSA-N 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COCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOc2ccccc2)C1=O 1873165594 QLGRWXRUNUOPKU-UHFFFAOYSA-N 459.546 3.489 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873170757 OZILANSSJVYSOK-UHFFFAOYSA-N 477.653 3.200 10 10 JGCE COc1ccc(C=C2SC(=S)N(CCC(=O)N(C)CC(=O)c3ccc(O)c(O)c3)C2=O)cc1 2296885408 SYOMLFMANBAABJ-UHFFFAOYSA-N 486.571 3.039 10 10 JGCE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 2297330234 UQVNJTDTMRKZBM-UHFFFAOYSA-N 452.448 3.308 10 10 JGCE COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1cc(OC)c(OC)cc1C(=O)OC 2313682555 FYYPAIWLVNHABN-UHFFFAOYSA-N 485.468 3.281 10 10 JGCE CCC[C@H](NC(=O)C=Cc1ccc(OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328507705 WIYGJJBLOPMJBP-DEOSSOPVSA-N 451.567 3.351 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccc(C)cc4)cc3)C(=N)N21 20206803 VLZAVRXXEZCCMP-YOUSBUAYSA-N 482.543 3.226 10 10 JGCE CC[C@H](C)N1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2C[C@H](C)O[C@H](C)C2)SC1=S 33451600 MYPDOHISVITWAJ-GXOOVROJSA-N 460.625 3.179 10 10 JGCE COc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1ccccc1 34688489 SZAPOJRZRVFDIL-LDADJPATSA-N 472.544 3.389 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)N3CCO[C@H](c4ccc(F)c(Cl)c4)C3)CC2)cc1 727476823 GCFHLSWILZFVJY-QHCPKHFHSA-N 476.980 3.393 10 10 JGCE C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)c1ccc(N2CCOCC2)cc1 731401307 LQBQWENDYSFEEU-XMSQKQJNSA-N 473.595 3.359 10 10 JGCE C#CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCS(=O)(=O)CC1 1705510819 ZEIMDALLDGFETR-UHFFFAOYSA-N 451.596 3.391 10 10 JGCE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865029690 TUMBGYKLPFPGRP-JOCHJYFZSA-N 476.533 3.379 10 10 JGCE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCc1ccncc1)=C(N)O2 1865035410 STYMYPKVNDNDFK-NRFANRHFSA-N 477.565 3.057 10 10 JGCE COc1ccc(N2CCN(c3nc(NC(=O)c4cccc(Br)c4)n(C)n3)CC2)cc1 1869969862 WJZOSECWTWWZFZ-UHFFFAOYSA-N 471.359 3.165 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCO)cn3CCC3=CCCCC3)CC2)cc1 1870369141 KYMMPJRMLFIVNJ-UHFFFAOYSA-N 467.610 3.441 10 10 JGCE CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(C[C@@H]2CCCO2)C1=O 33684816 WAQPVZZUTIETAM-HZGBGQKMSA-N 488.635 3.222 10 10 JGCE CC(=O)N1C(=O)/C(=C2\SC(=S)N([C@@H](C(=O)O)C(C)C)C2=O)c2cc(Br)ccc21 35575705 KOAJGTMPRSPOJA-NXXVSJRMSA-N 483.365 3.023 10 10 JGCE CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3Cl)C(=N)N21 96462715 ZLCJLNISAHJWSO-IVZSBRTFSA-N 468.347 3.405 10 10 JGCE Cc1cc(F)ccc1S(=O)(=O)Nc1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)cs1 727248255 LMWNNTFZECLBMP-UHFFFAOYSA-N 455.558 3.309 10 10 JGCE COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CN3CCC[C@H](c4cc[nH]n4)C3)c2C)c1 728913931 DDERJUHQJLDSLB-SFHVURJKSA-N 478.549 3.453 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)NCCc3ccc(N4CCCCC4)cc3)CC2)cc1 742939214 BNVMKNOGGYUAIB-UHFFFAOYSA-N 465.642 3.349 10 10 JGCE CC(=O)c1ccc(S(=O)(=O)CC(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1F 1638269274 RVQFQUZWZFSOEP-UHFFFAOYSA-N 452.467 3.150 10 10 JGCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCCc1cn(C)c3ccccc13)[C@@H]2c1ccc(O)c(O)c1 1864009412 GWSXZHQXVJMAKM-HSZRJFAPSA-N 487.560 3.168 10 10 JGCE COCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864011530 JECAYPCRGKTCOE-NRFANRHFSA-N 498.967 3.152 10 10 JGCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCCCN(CC)CC)[C@@H]2c1ccc(O)c(O)c1 1864022121 UEILBSZQSZGLPY-OAQYLSRUSA-N 485.629 3.200 10 10 JGCE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865029372 LTKXBBANQCJEAY-FQEVSTJZSA-N 498.967 3.035 10 10 JGCE COc1ccc(C(=O)N[C@H](C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867314436 IIYJBLKYSZSWGH-DVECYGJZSA-N 452.599 3.223 10 10 JGCE COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n2)c(F)c1 1874017260 MIQROVABOCBVJT-UHFFFAOYSA-N 483.455 3.472 10 10 JGCE CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3CC)C2=O)ccc1O[C@@H](C)C(=O)O 2891807 JSXMJFPMOCAMOT-IQGJIOQQSA-N 468.531 3.331 10 10 JGCE COc1ccc(N2CCN(C(=O)CCc3c(C)nn(-c4ccc(N5CCCC5)nn4)c3C)CC2)cc1 8605550 NRRLRTXYAWXOFX-UHFFFAOYSA-N 489.624 3.169 10 10 JGCE C[C@@H](C(=O)NCCC(=O)O)N1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 15047901 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452.423 3.033 10 10 JGCE CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)cc1 10958886 MGBMZYAVLQDKEB-CQSZACIVSA-N 456.454 3.431 10 10 JGCE COc1cccc(C2=NN(C3=NC(=O)[C@H](CC(=O)O)S3)[C@H](c3ccc(N(C)C)cc3)C2)c1 72413205 SUKSZGZGBKGSJT-PMACEKPBSA-N 452.536 3.385 10 10 JGCE CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3ON2CC(=O)NCc2ccccc2)cc1 248048276 MYFXMEQDKXQALA-TWJOJJKGSA-N 490.604 3.044 10 10 JGCE CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC(N(C)C(=O)OC(C)(C)C)CC2)c1 730563407 DENSXSMVEMFNHA-UHFFFAOYSA-N 461.603 3.258 10 10 JGCE O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccccc1O 757348990 JCWIKJDZEIBIBU-QFIPXVFZSA-N 460.486 3.390 10 10 JGCE COc1ccccc1NCCC(=O)N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866888389 NWQCXVHZRBPWRL-INIZCTEOSA-N 471.513 3.416 10 10 JGCE O=C(CCN1C(=O)C(=CC(Cl)=Cc2ccc([N+](=O)[O-])cc2)SC1=S)N1CCOCC1 2059864882 LGMGOJJDHDESTA-UHFFFAOYSA-N 467.956 3.168 10 10 JGCE CC(C)[C@@H](NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21)C(=O)O 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1864009943 GENDWFBQQPFBAI-QFIPXVFZSA-N 492.576 3.209 10 10 JGCE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2 1865032717 JCWSHQBRNLXIRA-MCFFVMPBSA-N 490.560 3.176 10 10 JGCE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865033065 RAEZTGIXFFBGQY-OAQYLSRUSA-N 460.534 3.222 10 10 JGCE CN1C(=O)NC(=O)C(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 2294093722 IGYOXBSKJDFQLM-UHFFFAOYSA-N 460.240 3.028 10 10 JGCE COc1ccccc1C(=O)NN1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)SC1=S 2296052356 XAJVBBOFBBUCEH-UHFFFAOYSA-N 460.533 3.267 10 10 JGCE COc1ccc(CCN2C(=O)NC(=O)C(=CNc3cccc(-c4ccc(CO)o4)c3)C2=O)cc1OC 2296607426 FRGZWCMVEYXFBB-UHFFFAOYSA-N 491.500 3.073 10 10 JGCE COCCN1C(=O)C(=Cc2c(N3CCc4ccccc4C3)nc3ccc(C)cn3c2=O)SC1=S 2296849758 NUVUYFKZIPENRR-UHFFFAOYSA-N 492.626 3.413 10 10 JGCE O=C(O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Br)C2=O)cc1 16906491 BDYFUNQPPDGGRF-OQLLNIDSSA-N 493.360 3.459 10 10 JGCE 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1868004556 GASDMPZGOPKSPX-UHFFFAOYSA-N 473.625 3.406 10 10 JGCE COc1ccc(N2CCN(c3nc(Nc4ccc5c(c4)OCO5)ncc3[N+](=O)[O-])CC2)cc1 1871303546 GEOVCMPMJWBZPB-UHFFFAOYSA-N 450.455 3.192 10 10 JGCE COc1cc(C=C2C(=O)NC(=S)N(c3ccc(C(C)(C)C)cc3)C2=O)ccc1OCC(=O)O 2294235414 MVPSIEZLMATENJ-UHFFFAOYSA-N 468.531 3.287 10 10 JGCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)N=C2S1 2297346153 IAYDQGZRVOZYHD-UHFFFAOYSA-N 455.565 3.414 10 10 JGCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)N=C2S1 2297346176 JQUSUHKJWRFNFE-UHFFFAOYSA-N 459.528 3.245 10 10 JGCE COC(=O)c1c(NC=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)sc2c1CCCC2 2297357783 GZBYOZOFGWBMNM-UHFFFAOYSA-N 459.524 3.296 10 10 JGCE CCCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 33812597 PPPDVTXUYFQIIM-UNOMPAQXSA-N 473.668 3.047 10 10 JGCE CCOc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)N1CCCCC1 40937797 KJYSRHXZALBVHU-QGOAFFKASA-N 478.592 3.153 10 10 JGCE COc1cccc(/C=C2/SC(=S)N(CCNC(=O)COc3ccccc3OC)C2=O)c1 62050409 IBWNKINEWKJQAC-CPNJWEJPSA-N 458.561 3.100 10 10 JGCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc4ccccc4n3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 1084497037 LXRWTVPRMOYHTE-VWLOTQADSA-N 498.608 3.413 10 10 JGCE O=C1c2ccccc2C(=O)c2cc(NC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)ccc21 1858623757 HAANQKSXGMQXDD-UHFFFAOYSA-N 475.526 3.000 10 10 JGCE CC(C)C[C@@H](CO)NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1860347410 OHIXXZXZIDTJQB-QYBDOPJKSA-N 460.578 3.311 10 10 JGCE COc1ccc(N2CCN(c3nc(Nc4cccc(NC(C)=O)c4)ncc3[N+](=O)[O-])CC2)cc1 1871303701 OACCNSYWZMQMDF-UHFFFAOYSA-N 463.498 3.422 10 10 JGCE CCOC(=O)COc1ccc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1 2294095478 STFYRZFAWMPFLO-UHFFFAOYSA-N 473.279 3.057 10 10 JGCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1O[C@@H](C)C(=O)O 2314933051 RTUPSRKWIZSFBZ-LBPRGKRZSA-N 458.517 3.093 10 10 JGCE COC[C@@H](C)OC(=O)Cn1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945391 HKTSQDTZPJVVBO-CQSZACIVSA-N 476.576 3.285 10 10 JGCE Cc1ccc2nc(NCC(C)C)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 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CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(NCCc4ccccn4)cc3)cc2)CC1 1634075049 ZNFPZZXJVZOHRE-UHFFFAOYSA-N 457.578 3.335 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCN(C(=O)c4ccccc4Br)C3)CC2)cc1 1858362308 XCNWTMRXQATTOA-KRWDZBQOSA-N 472.383 3.269 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864011312 GLDLJLVHLKESAB-IBGZPJMESA-N 454.914 3.135 10 10 JGCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCCC[C@H]1C)[C@@H]2c1ccc(O)c(O)c1 1865034541 YVAVVXKOHBAKHI-IAQYHMDHSA-N 466.460 3.429 10 10 JGCE O=C(NC1CC1)c1nn(Cc2c(O)cccc2F)c(C(F)(F)F)c1I 2079250313 DWAPYDADVUGXBB-UHFFFAOYSA-N 469.176 3.292 10 10 JGCE CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 2200962015 GKHZQAKJTGQXFS-IRXDYDNUSA-N 479.574 3.001 10 10 JGCE CCN1C(=O)/C(=C/c2nc3ccc(I)cc3c(=O)n2C)c2ccccc21 33432340 IRRSMWWLUKUFJJ-SDNWHVSQSA-N 457.271 3.445 10 10 JGCE COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OC(=O)/C=C1\SC(=O)NC1=O 33724019 UAFSCLLKCJJBSE-IPPSOLTLSA-N 463.471 3.274 10 10 JGCE COc1ccccc1/C=C1/N=C(c2ccccc2)N(c2cc(S(=O)(=O)O)ccc2C(=O)O)C1=O 33763017 KNZXHFXJZPJFFB-CPNJWEJPSA-N 478.482 3.475 10 10 JGCE CCCOC(=O)CCN1C(=O)/C(=C\c2ccc(OCC(=O)N(CC)CC)cc2)SC1=S 40938316 WECHSKDLKNYAMH-NBVRZTHBSA-N 464.609 3.478 10 10 JGCE CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2CC(=O)NC2CCCCC2)cc1 248058503 PBIPAMUOEKSWJT-CYXNTTPDSA-N 490.604 3.044 10 10 JGCE O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 731400577 FVVQWTUPDBMKFK-FQEVSTJZSA-N 491.585 3.061 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)CCc3ccc(Br)cc3F)CC2)cc1 745108720 IAEYYBWNJNUEPS-UHFFFAOYSA-N 464.379 3.468 10 10 JGCE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865034745 CUZXRQVJSYSFSP-OAQYLSRUSA-N 478.524 3.361 10 10 JGCE COCCCn1cc(OCc2c(C)noc2C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870564468 QAVCROXGUGCYGK-UHFFFAOYSA-N 496.608 3.399 10 10 JGCE CCn1cc(OCC(=O)Nc2ccc(F)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870732576 MZJSZHHSWLLLEZ-UHFFFAOYSA-N 494.567 3.356 10 10 JGCE CC(C)(CCNC(=O)OC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200960078 ATPUTOHDABVWKN-INIZCTEOSA-N 481.590 3.343 10 10 JGCE CCOc1cc(C=C2SC(=S)N(NC(=O)Cc3ccccc3)C2=O)ccc1O[C@H](C)C(=O)O 2314934764 JMWNAFZSXQVLLM-CQSZACIVSA-N 486.571 3.412 10 10 JGCE COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)[C@@H](C)O4)cs2)c(OC)c1 11857681 ZBBFHYDDBRYYEK-GFCCVEGCSA-N 475.548 3.372 10 10 JGCE CCOCCCN1C(=O)/C(=C/c2c(NC[C@H]3CCCO3)nc3ccc(C)cn3c2=O)SC1=S 33533264 XWFFCDHJECRLSR-UWCCDQBKSA-N 488.635 3.222 10 10 JGCE COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccc(F)cc1 34859563 ZJQBOSSKPNSZID-UYRXBGFRSA-N 468.462 3.063 10 10 JGCE COc1ccc(N2CCN([C@H](CNS(=O)(=O)Cc3ccc(F)cc3)c3ccco3)CC2)cc1 38607248 CVFKZMDKOZAXRN-HSZRJFAPSA-N 473.570 3.410 10 10 JGCE CCn1c(=O)c(C2=NNC(=O)/C2=C(/C)c2c(O)c3ccccc3n(CC)c2=O)c(O)c2ccccc21 101630348 XCEJNTAJTYUVET-RGEXLXHISA-N 484.512 3.075 10 10 JGCE COCCN(Cc1c(O)ccc2c(C)c(CC(=O)OC)c(=O)oc12)C[C@H]1CCCN2CCCC[C@H]12 1614472558 RRGTYDJGKFXSCL-AUSIDOKSSA-N 486.609 3.235 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(C(=O)c4ccccc4Br)C3)CC2)cc1 1858362311 XCNWTMRXQATTOA-QGZVFWFLSA-N 472.383 3.269 10 10 JGCE COC(=O)c1ccccc1N1C[C@@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1=O 1859466299 NUXOYFFJKSJCBS-HNNXBMFYSA-N 468.465 3.240 10 10 JGCE COc1ccc(-c2nc(=O)cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)[nH]2)cc1 1859706793 BAWHWQUPJBVSHM-UHFFFAOYSA-N 451.438 3.473 10 10 JGCE CC[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862042601 OVHDHRCKOMUKIH-HXUWFJFHSA-N 460.372 3.315 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)/C=C/c3ccc(OC)cc3OC)CC2)cc1 1862149528 YJZGBOYCYJEFLK-DEZWEULXSA-N 479.577 3.065 10 10 JGCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2 1864022801 YGUGRRJULMLYTG-QFIPXVFZSA-N 497.640 3.200 10 10 JGCE COC(=O)c1c(NC(=O)[C@@H](N)CCC(=O)O)sc(C)c1-c1ccc(Br)cc1 1866019956 GGFBPPQVBQDPED-LBPRGKRZSA-N 455.330 3.403 10 10 JGCE COc1ccc(N2C[C@H](C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)CC2=O)cc1 1866041098 WTCOHMNIEXJFCK-PXDATVDWSA-N 464.610 3.458 10 10 JGCE CC(C)(C)OC(=O)N1CCc2c(N3CCOC4(CN(C(=O)OC(C)(C)C)C4)C3)ccc(N)c2C1 2288479667 YTXIYOVMHHHNGB-UHFFFAOYSA-N 474.602 3.388 10 10 JGCE Cc1cccc(-n2c(C)cc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c2C)c1C 2297346336 WXOXPPJRNULFQE-UHFFFAOYSA-N 455.565 3.332 10 10 JGCE Cc1cc(C=C2C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccccc1F 2297352562 BCHLMDHIQDTZOH-UHFFFAOYSA-N 452.515 3.142 10 10 JGCE Cc1ccc(CNCC(F)(F)C2(O)CN(C(=O)OC(C)(C)C)C2)c(O)c1Br 2381130947 HAONRDYHKAISQW-UHFFFAOYSA-N 451.308 3.170 10 10 JGCE CCN1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C3CCCCC3)C2=O)CC1 33436779 AOSHVNYNQBQZKC-KNTRCKAVSA-N 483.663 3.370 10 10 JGCE CN(C)c1ccc(CNC(=O)CN2C(=O)CN(C(=O)Nc3ccccc3)c3ccccc32)cc1 64971414 HRHKAEDLWFZAAC-UHFFFAOYSA-N 457.534 3.454 10 10 JGCE Cc1ccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526312405 ALNVPNKBDHAHKL-OAQYLSRUSA-N 452.488 3.111 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)CCc3ccc(C)cc3)CC2)cc1 1861943344 XIZOYRZITQDVFU-HSZRJFAPSA-N 453.608 3.187 10 10 JGCE CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1864012134 RXLQNFXEDOTKKW-NRFANRHFSA-N 466.513 3.401 10 10 JGCE CCC[C@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1F)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868820588 GEVROEQEOKMBKR-UIOOFZCWSA-N 496.627 3.432 10 10 JGCE CCC[C@H](NC(=O)c1cc(C2CC2)n2nc(C)cc2n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868985481 NLKQOMIZJRTVPJ-QFIPXVFZSA-N 490.608 3.171 10 10 JGCE COc1cc2c(cc1OC)CN(C(=O)OC(C)(C)C)[C@H](C(=O)NCCc1ccc(O)c(O)c1)C2 2068899862 GQLNYRJOMVQLFO-SFHVURJKSA-N 472.538 3.136 10 10 JGCE COc1ccc(N2N=C(c3ccccc3)C(=C(C)NCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 2313683112 RYJDPHKMVHOGRI-UHFFFAOYSA-N 476.558 3.157 10 10 JGCE CSCC[C@H](C(=O)O)N1C(=O)/C(=C2\C(=O)Nc3ccc(Br)cc32)SC1=S 1750298 NRNVVHFJHOAZGF-PJSNMCHCSA-N 473.395 3.179 10 10 JGCE COc1ccccc1C(=O)NN1C(=O)/C(=C\c2ccc(OCCC(=O)O)cc2)SC1=S 16907896 KKZDRGSZGCONKW-SFQUDFHCSA-N 458.517 3.095 10 10 JGCE COc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2ccc(N3CCCCC3)cc2F)C1=O 33422212 AUKCHRHBVMSUBB-MOSHPQCFSA-N 452.486 3.356 10 10 JGCE CCCOC(=O)CCN1C(=O)/C(=C\c2ccc(OCC(=O)N(CC)CC)c(OC)c2)SC1=S 40938234 PPEGIDNAZWRWLI-XMHGGMMESA-N 494.635 3.487 10 10 JGCE O=C(C1=CN(c2ccc(Br)cc2)c2cc(F)ccc2S1(=O)=O)N1CCOCC1 65096348 AGRJDIIAAAVCHO-UHFFFAOYSA-N 467.316 3.214 10 10 JGCE CC(C)c1ccc(OC[C@@H](O)CN(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 256037528 FMGYDRXVRLKJHI-ZEQRLZLVSA-N 460.640 3.305 10 10 JGCE O=C(O)CCNC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 586629714 UZRSEHCBIBLSHK-UHFFFAOYSA-N 457.442 3.311 10 10 JGCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCC(=O)N(C)C)[C@@H](C)C1 1705987937 OTDCOGPCNJLJMD-FQEVSTJZSA-N 491.640 3.278 10 10 JGCE CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H](C)N(C)C)CC1 1722769337 JIMVKGULSBZOIX-HXUWFJFHSA-N 463.630 3.361 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)NCc4ccccc4)n4ccccc34)CC2)cc1 1858223775 FEAVYTFOQLYBMP-UHFFFAOYSA-N 469.545 3.235 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864018059 BSAOQSCXFGJXRC-LJQANCHMSA-N 468.941 3.389 10 10 JGCE Cc1cc(C=C2C(=O)NC(=O)N(c3ccccc3F)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 2294093765 NFHIRQXILAMCRO-UHFFFAOYSA-N 491.431 3.296 10 10 JGCE COc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)ccc1O[C@H](C)C(=O)O 2294199364 WWUJZDXFMPDQNS-LLVKDONJSA-N 460.895 3.032 10 10 JGCE O=C1NC(=S)N(c2ccccc2Cl)C(=O)C1=CNC1CCN(Cc2ccccc2)CC1 2296135828 CJBVUQFYHDHPGW-UHFFFAOYSA-N 454.983 3.226 10 10 JGCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCC(=O)O)C3=O)c(N3C[C@H](C)C[C@@H](C)C3)nc12 2314400968 SJSXLOZJWJRATR-ZIAGYGMSSA-N 486.619 3.161 10 10 JGCE C[C@H](Oc1ccccc1C=C1SC(=S)N([C@H](Cc2ccccc2)C(=O)O)C1=O)C(=O)O 2314926223 DJFYIMHVZQHGDD-XJKSGUPXSA-N 457.529 3.436 10 10 JGCE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3OC)C2=O)ccc1OCC(=O)O 16915799 SLKHQPJHWDFCTF-WOJGMQOQSA-N 488.543 3.104 10 10 JGCE Nc1ccc(CNC(=O)c2cc(I)cc(I)c2O)cc1 700704115 ZRLORNLJYPHKGG-UHFFFAOYSA-N 494.070 3.114 10 10 JGCE CC(=O)c1cc(Cl)cc(CN2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)c1O 1190642812 HWBMJLMERLTCFH-HNNXBMFYSA-N 453.967 3.101 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)/C=C/c3cc(OC)ccc3OC)CC2)cc1 1862241388 WYMQOXVRKGZREY-FCHBTLIASA-N 479.577 3.065 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)/C=C/c3ccco3)CC2)cc1 1862270281 SWFVVVKOUJAWPB-ZOGNMOHXSA-N 475.545 3.083 10 10 JGCE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1864010474 UDQVIVODRLHINY-NRFANRHFSA-N 472.586 3.276 10 10 JGCE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865035579 XBMOXKPGQYBAMS-ZMPRRUGASA-N 489.576 3.440 10 10 JGCE CCOC(=O)c1ccc(N2NC(=O)C(=Cc3cc(Cl)cc(Br)c3O)C2=O)cc1 2297321495 XAVLFTXWTXEZPS-UHFFFAOYSA-N 465.687 3.446 10 10 JGCE O=C1NC(=S)SC1=Cc1cc(I)cc(I)c1O 2297531766 MTXFHQBVVNDUTF-UHFFFAOYSA-N 489.097 3.090 10 10 JGCE C[C@@H](Oc1ccc(C=C2SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)cc1)C(=O)O 2314926672 PBDAWEHNDTWJOR-SNVBAGLBSA-N 473.484 3.341 10 10 JGCE CC[C@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccccc2O)C1=O)C(=O)O 2314926744 QTAVJHFAHBRTAL-HNNXBMFYSA-N 458.517 3.180 10 10 JGCE CCC1(C)COC2(OC1)C(=O)N(CN1CCN(c3ccc(OC)cc3)CC1)c1ccccc12 20428339 ZGRSXDPQWNRUFM-UHFFFAOYSA-N 451.567 3.437 10 10 JGCE COc1ccc(N2CCN(c3ccc(N4C(=O)[C@@H]5[C@H]6C=C[C@@H](C6)[C@H]5C4=O)cc3[N+](=O)[O-])CC2)cc1 104798574 SUCAZVVEPOLVMW-HHLQZUTDSA-N 474.517 3.242 10 10 JGCE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 1537679122 FXTPMIDEOPNRIO-SBUREZEXSA-N 457.596 3.376 10 10 JGCE CC[C@H](C(=O)OCC(C)C)N1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860827241 VLRNIDULPQNUBT-MGPWXQLLSA-N 476.576 3.057 10 10 JGCE O=C(CNC(=O)[C@@H]1CCCN1Cc1ccccc1F)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868146552 HGTMPVUZFGLCKV-QHCPKHFHSA-N 485.515 3.320 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN3CCCC3)C(=O)N(CCN(C)C)C2=O)cc1 1873167467 ISYDCTWSUOHPSS-UHFFFAOYSA-N 477.653 3.201 10 10 JGCE CC(C)(C)OC(=O)NC1(CO)CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC1 2162985788 FPGFXMDSJMUUMW-UHFFFAOYSA-N 476.618 3.418 10 10 JGCE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2163127690 PAHWNXRKINBXEW-RUZDIDTESA-N 476.618 3.418 10 10 JGCE COc1cccc(C=C2SC(=S)N(N[C@@H]3OC(=O)c4c3ccc(OC)c4OC)C2=O)c1 2314600182 PFYKZPROGPHCEX-GOSISDBHSA-N 458.517 3.287 10 10 JGCE Cc1c(N2C(=O)C(=Cc3ccc(N4CCOCC4)o3)SC2=S)c(=O)n(-c2ccccc2)n1C 2314646527 ALLCHNHBGQQANE-UHFFFAOYSA-N 482.587 3.320 10 10 JGCE COc1cc(/C=C2\SC(=S)N(CCCC(=O)Nc3nccs3)C2=O)cc(OC)c1O 15040887 KXIVLNRORWEKPA-UVTDQMKNSA-N 465.578 3.486 10 10 JGCE Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3)C2=O)cc1 103255499 VQUGJZHFIMDBHS-CJLVFECKSA-N 490.541 3.052 10 10 JGCE CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc(OC3CCCC3)cc2)N2CCOCC2)cc1 1858075019 ZKADHKZYIPKHRO-VWLOTQADSA-N 473.639 3.426 10 10 JGCE CC[C@H](NC(=O)c1cc(-c2ccc(F)cc2)n(C)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861884724 JPUSUFDMXLBDEK-QFIPXVFZSA-N 479.556 3.092 10 10 JGCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NC2CCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864007656 ROIWXCXEBGOHGE-JOCHJYFZSA-N 476.533 3.354 10 10 JGCE CCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(O)c2)[nH]1 1871715962 WOTJUQXDJBBTLP-UHFFFAOYSA-N 463.586 3.102 10 10 JGCE COCCCN1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 2296716239 OUGQPSJGAFKNAQ-IYBDPMFKSA-N 472.636 3.415 10 10 JGCE COc1cccc(C=C2SC(=S)N(CC(=O)NCCc3ccc(OC)c(OC)c3)C2=O)c1 2297500678 RGIRWQINISOSEG-UHFFFAOYSA-N 472.588 3.273 10 10 JGCE COc1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2cccc3nonc23)cc1OC 8595543 XKLCDTQTCWTWNH-UHFFFAOYSA-N 482.518 3.382 10 10 JGCE COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)Nc3ccccc3F)c3ccco3)CC2)cc1 38619581 SHLSPWQFQKUIAC-QFIPXVFZSA-N 466.513 3.046 10 10 JGCE CC[C@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(C2CCCC2)C1=O 102909491 NLCNGTPQVSWNSO-SWEABUAFSA-N 458.609 3.330 10 10 JGCE CCOC(=O)c1ccc(Br)c(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)c1 728506062 YDWJZOMOQXXTFK-UHFFFAOYSA-N 469.357 3.263 10 10 JGCE CC(=O)N1CCN([C@H]2CN(c3nnc(CC(C)(C)C)n3Cc3ccc(N(C)C)c(F)c3)C[C@H]2C)CC1 1359398992 JAMCPJFFZSHKMU-DVECYGJZSA-N 499.679 3.109 10 10 JGCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)N[C@H](CO)Cc1ccccc1 1860345064 QWGBMHJCQLHQHH-FQEVSTJZSA-N 478.552 3.294 10 10 JGCE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2 1864017711 SIMNLLVETMNMAQ-QFIPXVFZSA-N 492.576 3.128 10 10 JGCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864023315 XZSHUXRQNIAKSA-MRXNPFEDSA-N 474.439 3.344 10 10 JGCE COc1ccc(Cl)cc1N1C[C@@H](C(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)CC1=O 1865924386 SSVFEPAIDXQWFE-GAJHUEQPSA-N 481.984 3.407 10 10 JGCE CN(C)c1ccc([C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(N4CCCC4)cc3)C2)c2nccn2C)cc1 1866279497 XGJMTZNPDVFYBF-RLWLMLJZSA-N 486.620 3.345 10 10 JGCE Cc1cc(C(=O)N[C@@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)ccc1[N+](=O)[O-] 1867871121 JXUIHNNLEKECAD-YADARESESA-N 481.597 3.431 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCCN(C)C)nc(Nc4ccc(C(C)C)cc4)[nH]3)CC2)cc1 1871507026 NDNFLUJTINEEDO-UHFFFAOYSA-N 490.656 3.469 10 10 JGCE C[C@H](CCNC(=O)OC(C)(C)C)N(C)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200951378 AQGJHKDXSLMRHF-WBVHZDCISA-N 481.590 3.295 10 10 JGCE COc1cccc(C2=NN(C(=O)C=C3SC(=O)NC3=O)[C@H](c3ccc(N(C)C)cc3)C2)c1 2293228123 JIYIHDHQXHQJLQ-IBGZPJMESA-N 450.520 3.306 10 10 JGCE N=C1/C(=C\c2ccc(OCCCOc3ccccc3)cc2)C(=O)N=C2SC(N3CCOCC3)=NN12 20356645 LKGXGLSWAPFFGX-ZRAMOQLOSA-N 491.573 3.443 10 10 JGCE CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3Cc3ccc(N(C)C)cc3C)C[C@H]2C)CC1 1722776071 XRGQRKMIPYVSSK-PXDATVDWSA-N 481.689 3.203 10 10 JGCE Cc1ccc(C(=O)CCC(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)cc1 1858959172 GALCCUJOEBSKST-UHFFFAOYSA-N 495.557 3.334 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nonc3OCCCOc3cccc(C)c3)CC2)cc1 1872677002 HKCBMGXPCWLGNQ-UHFFFAOYSA-N 452.511 3.197 10 10 JGCE COc1ccc(C=C2C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1CN1C(=O)c2ccccc2C1=O 2295880069 PEAXRAADWHSNCY-UHFFFAOYSA-N 499.454 3.297 10 10 JGCE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)O)c(Br)c3)C2=O)c1 2297556020 UPQZRXSKUFGOBH-UHFFFAOYSA-N 473.279 3.196 10 10 JGCE COc1ccc(N2CCN(C(=O)c3sc(NS(=O)(=O)c4ccccc4)nc3C)CC2)cc1 8977590 DJAVNIKTKRDXNT-UHFFFAOYSA-N 472.592 3.223 10 10 JGCE CCOC(=O)N1CCN(c2cc(NCCOC)c3c4c(onc24)-c2ccccc2C3=O)CC1 9642226 IHZKHDCJSOUBFY-UHFFFAOYSA-N 450.495 3.376 10 10 JGCE Cc1c(/C=C2/SC(=S)N(Cc3ccco3)C2=O)c(N2C[C@H](C)O[C@H](C)C2)n(C)c(=O)c1C#N 33452534 YSXSULDGACOMMM-POGSWGSBSA-N 484.603 3.173 10 10 JGCE COC(=O)c1ccc(N2NC(=O)/C(=C\c3ccc(OC(=O)c4ccccc4)c(OC)c3)C2=O)cc1 34690940 VMFZCQTZPJEGPZ-XSFVSMFZSA-N 472.453 3.162 10 10 JGCE CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 59418534 IHFGZLISJRTMHT-FOOJEKODSA-N 491.613 3.263 10 10 JGCE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 731405876 JBSRHMVSXPILMZ-HSZRJFAPSA-N 499.633 3.227 10 10 JGCE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864017979 ZSQADCFICBOYCQ-SZNDQCEHSA-N 478.549 3.464 10 10 JGCE COc1ccc(N2CCN(c3nc(NC(=O)/C=C4\CCc5ccc(OC)cc54)n(C)n3)CC2)cc1 1869969034 BESKBDSDFKZCHC-KNTRCKAVSA-N 474.565 3.127 10 10 JGCE COc1ccc(Br)c(CN[C@H]2COCCN(C(=O)OCc3ccccc3)C2)c1O 2227748097 JTZXPWVGBWZTPN-MRXNPFEDSA-N 465.344 3.291 10 10 JGCE COc1ccc(N2CCN(C(=O)c3ccc(Nc4nc5ccccc5n5nnnc45)cc3)CC2)cc1 8609575 GZZMJRAAJWWVJG-UHFFFAOYSA-N 480.532 3.387 10 10 JGCE CCCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O 39990086 SVCGLKVTHGSLLW-DZBQEORWSA-N 488.635 3.351 10 10 JGCE CC(C)SC1=NSC2=NC(=O)/C(=C/c3ccc(OS(C)(=O)=O)c(Cl)c3)C(=N)N21 96450457 SWSCTWCGTPTSDE-RTKKHHDGSA-N 458.974 3.397 10 10 JGCE COc1cc(/C=C2/SC(=S)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1O 214753417 MEBLVJYMDSQTIY-CXUHLZMHSA-N 475.504 3.158 10 10 JGCE CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccsc3)n2Cc2ccc(N(C)C)c(F)c2)C1 1741020444 BSCPJOQUTYDIKU-FQEVSTJZSA-N 470.618 3.488 10 10 JGCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cccs1 1865321326 GMLYSXKHUFYSEG-NRFANRHFSA-N 479.606 3.325 10 10 JGCE CCC[C@H](NC(=O)[C@H]1CCCN1Cc1ccccc1F)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868820587 GEVROEQEOKMBKR-IZZNHLLZSA-N 496.627 3.432 10 10 JGCE CCCCN(C)C(=O)COc1cn(CC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870512920 GABGSRIISNSMJO-UHFFFAOYSA-N 498.668 3.472 10 10 JGCE O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCCC3)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 1890560444 FFQIRARMRMBKJJ-IHPCNDPISA-N 450.608 3.464 10 10 JGCE COCCN1C(=O)C(=Cc2c(NCc3ccc(OC)cc3)nc3ccc(C)cn3c2=O)SC1=S 2296705060 LIHQFEOTPKPANO-UHFFFAOYSA-N 496.614 3.471 10 10 JGCE COc1ccc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1CN1C(=O)c2ccccc2C1=O 2296927200 YFWBXEATEVJJMR-UHFFFAOYSA-N 495.491 3.466 10 10 JGCE Cc1cc(C=C2SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 2297466332 XIFOOENLWHLDSP-UHFFFAOYSA-N 468.579 3.055 10 10 JGCE O=C(O)[C@H](Cc1cnc[nH]1)N1C(=O)C(=Cc2ccc(F)c(Br)c2)SC1=S 2323717038 OBNJXGZLECBDLM-LBPRGKRZSA-N 456.318 3.208 10 10 JGCE CC(C)n1ncc2c(C(=O)NCc3ccc(N4CCNC(=O)C4)cc3)cc(-c3ccco3)nc21 106187108 HNRNKFPKSBUFDD-UHFFFAOYSA-N 458.522 3.138 10 10 JGCE C[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)C=[N+]=N 642887494 SUWBMPNRMSQAHJ-SSOJOUAXSA-O 499.547 3.226 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3ccc(F)c(F)c3F)CC2)cc1 1862271825 SJDSXSZEHLVMRF-LJQANCHMSA-N 481.540 3.313 10 10 JGCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCOC(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008958 VUUVQPNKSPCUAV-HSZRJFAPSA-N 492.576 3.195 10 10 JGCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1864012267 WHSNZELQSVXZKI-LRTDBIEQSA-N 466.513 3.399 10 10 JGCE Cc1ccc(-n2nc(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)c(=O)cc2C)c(C)c1 1866287267 GFTYJSOHVMTFSK-DEOSSOPVSA-N 470.577 3.477 10 10 JGCE COCCOC(=O)COc1cn(CCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870906635 GQAJDNIOFBNHOU-UHFFFAOYSA-N 494.592 3.334 10 10 JGCE CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CCN(C(=O)OCC)CC2)C1=O 1873170390 XSYNFTRXQFLORM-UHFFFAOYSA-N 464.566 3.404 10 10 JGCE COC(=O)[C@H](CCNCc1cc(Cl)cc(Br)c1O)NC(=O)OC(C)(C)C 2088544015 XGHSFSLGZQGIGE-ZDUSSCGKSA-N 451.745 3.354 10 10 JGCE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(CC(=O)O)C2=O)c1 2296849517 HEANAZWSUBZIMN-UHFFFAOYSA-N 453.501 3.081 10 10 JGCE Cc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cc(C(=O)O)ccc3C(=O)O)C2=O)cc1 16921768 MKHUKLSPXWOQBT-PXNMLYILSA-N 456.501 3.231 10 10 JGCE CCn1c(N2CCCC2)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O 33813445 DHYGSFQVGAWWJL-AQTBWJFISA-N 488.635 3.495 10 10 JGCE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4cccnc4c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 59447099 NKEZMNKBFOSCJW-ZMIGGIFCSA-N 498.608 3.413 10 10 JGCE COc1ccc(OCCN(c2cccc3c2C(=O)c2ccccc2C3=O)S(C)(=O)=O)cc1 586186088 NNSKVFYQBIMRAK-UHFFFAOYSA-N 451.500 3.316 10 10 JGCE CC[C@H](C)[C@H](NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21)C(=O)OC 1616127598 VRLFAWYUUNPJPR-CNBSGPCYSA-N 488.588 3.492 10 10 JGCE O=C(O)CCc1sc(NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)nc1-c1cccs1 1858070272 LSWSCVKONQJTKR-UHFFFAOYSA-N 450.523 3.272 10 10 JGCE O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)NCCc1ccc(O)c(O)c1 1860169523 SJYKOFMMTDTUMF-RUZDIDTESA-N 471.513 3.352 10 10 JGCE CC(C)NC(=O)COc1cn(CCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870943845 KTRXATMJTVZXJH-UHFFFAOYSA-N 464.566 3.490 10 10 JGCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3ccc4nc[nH]c4c3)cc1C2=O 1873890949 YEUXDYNFFWXXBT-UHFFFAOYSA-N 483.436 3.441 10 10 JGCE O=C1c2ccccc2C(=O)c2c(NC(=O)C3(NC(=O)N4CCOCC4)CCCCC3)cccc21 1874179664 JZZGRSQONLJNBD-UHFFFAOYSA-N 461.518 3.145 10 10 JGCE Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)c1 1892091133 BRSYCMBUWGTHQP-SSPYTLHUSA-N 453.608 3.453 10 10 JGCE COCCN1C(=O)C(=Cc2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC1=S 2296851549 YEISINIGMJJEJC-UHFFFAOYSA-N 457.508 3.474 10 10 JGCE O=C1/C(=C\c2c(NC[C@@H]3CCCO3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 12796842 OFWHLUBQVWPLIV-MPMPPSQCSA-N 468.560 3.280 10 10 JGCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4OC)c3C)C(=O)N=C2S1 20208464 DQLLTUCMPSHWBZ-AZAZKDLZSA-N 471.564 3.114 10 10 JGCE COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c1C 96460154 VHJQPQODGFZRBF-FRYOISGKSA-N 491.982 3.377 10 10 JGCE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1859466115 IAPZHUJWIISXEB-UHFFFAOYSA-N 476.510 3.398 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4n[nH]c5cc(Br)ccc45)C3)CC2)cc1 1860193308 MWTQBUSROOOJAE-HNNXBMFYSA-N 498.381 3.036 10 10 JGCE CC[C@H](NC(=O)COc1c(C)ccc(C)c1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862199830 KOGFKUTWXJTCDV-QHCPKHFHSA-N 453.583 3.243 10 10 JGCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864014194 PEUQFNBLHSKVGY-GOSISDBHSA-N 454.552 3.339 10 10 JGCE Cc1ccccc1-n1nc(C(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)c(=O)cc1C 1866282801 JBKIAXQCWGVMIL-QHCPKHFHSA-N 456.550 3.168 10 10 JGCE CC(=O)Nc1ccc(N2C[C@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2=O)cc1 1874179140 PGGWUAUPPUKATB-MRXNPFEDSA-N 467.481 3.412 10 10 JGCE Cn1nc(CC(=O)NN2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)c2ccccc2c1=O 2293858475 JNILRTPPJKTNQU-UHFFFAOYSA-N 470.963 3.062 10 10 JGCE COc1ccc(CN2C(=O)NC(=O)C(=CNCCC3CCN(Cc4ccccc4)CC3)C2=O)cc1 2296602872 BRVLPZVTDIJKEM-UHFFFAOYSA-N 476.577 3.049 10 10 JGCE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(O)c(O)cc2C1 2341195751 JBNYJDLNXVSADX-OPAMFIHVSA-N 456.539 3.481 10 10 JGCE 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3.359 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cn(-c4cccc(Br)c4)c(=O)cc3O)CC2)cc1 1870130198 JBNUXJMUHWRURG-UHFFFAOYSA-N 484.350 3.277 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCC(C)C)[nH]c(=Nc4cccc(F)c4)[nH]3)CC2)cc1 1871543443 SDUOXRAVNZGUCQ-UHFFFAOYSA-N 451.550 3.001 10 10 JGCE C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200952924 LWHVHBXOLPBZBZ-NQIIRXRSSA-N 469.582 3.267 10 10 JGCE COc1ncc[nH]c1=NS(=O)(=O)c1ccc(NC=C2C(=O)N(c3cccc(Cl)c3)N=C2C)cc1 2297512353 CPBYLMDGISPMTG-UHFFFAOYSA-N 498.952 3.080 10 10 JGCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(N3CCSCC3)nc12 2326032 OOAYQVKVWIVIBT-LFIBNONCSA-N 460.650 3.413 10 10 JGCE CN(C)c1ccc(CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 38648069 YYDNNMRPBURIAP-KRWDZBQOSA-N 451.932 3.144 10 10 JGCE Cc1cc(-n2c(C)cc(/C=C\C(=O)N3C[C@@H](C(=O)N4CCOCC4)Oc4ccccc43)c2C)no1 96920887 RTHAJDGQKQRHRP-AXKGWLQCSA-N 476.533 3.057 10 10 JGCE CCOc1cc(N2CCOCC2)c(OCC)cc1/N=N/N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 1860484403 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JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)COc3c(C)ccc(C)c3C)CC2)cc1 1862200677 TXHMMCTVVKSGAU-DEOSSOPVSA-N 465.594 3.339 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1864017059 DMRNOYKYNMESEP-HXUWFJFHSA-N 478.549 3.457 10 10 JGCE CC[C@@H](NC(=O)CCCc1ccc2c(c1)OCCO2)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868730074 CXSOPWILQUJWHQ-HSZRJFAPSA-N 481.593 3.033 10 10 JGCE COc1ccc(N2CCN(c3nc(NC(=O)c4cnccn4)n(-c4ccc(Cl)cc4)n3)CC2)cc1 1869970089 FBJNIHWBHAPNOP-UHFFFAOYSA-N 490.955 3.298 10 10 JGCE O=C1N=C(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)SC1=Cc1ccc(O)cc1 2318436441 HZWRCUBZWGXYRO-UHFFFAOYSA-N 463.968 3.022 10 10 JGCE CCC[C@@H](NC(=O)C=Cc1ccc(OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328507706 WIYGJJBLOPMJBP-XMMPIXPASA-N 451.567 3.351 10 10 JGCE CCC(CC)NC(=O)CN1O[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2[C@H]1c1ccc(N(C)C)cc1 248085485 WJXMZXPAUDTKBE-VXNXHJTFSA-N 470.614 3.032 10 10 JGCE CC(C)CN1C(=O)c2ccc(C(=O)Nc3ccc(I)cc3C(=O)O)cc2C1=O 1859464488 YANDLMXFPFTSPZ-UHFFFAOYSA-N 492.269 3.494 10 10 JGCE COc1ccc(N2CCN(C(=O)CNC(=O)[C@H]3CCCN(Cc4ccccc4Cl)C3)CC2)cc1 1861994213 PKDXNLNIOANRMN-NRFANRHFSA-N 485.028 3.026 10 10 JGCE CCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864010281 RFBRGQWNJLLXJW-OAQYLSRUSA-N 463.538 3.378 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864015108 JTHYODDFCZFFKS-INIZCTEOSA-N 474.439 3.441 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)COc3ccccc3)CC2)cc1 1892171517 LKANNTIWKMLLJI-AREMUKBSSA-N 473.573 3.150 10 10 JGCE CCOC(=O)c1cnn(Cc2cc(Br)ccc2O)c1I 2070368857 KEVNVZLHFDFEQP-UHFFFAOYSA-N 451.058 3.181 10 10 JGCE CC(C)(C)OC(=O)N(CCC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O)Cc1ccccc1 2123787928 OVIZKAJDQAYKSS-SFHVURJKSA-N 458.511 3.037 10 10 JGCE O=C(CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)Nc1ccc(C(=O)O)cc1 2296881657 UQYPEJMTAKTZIV-UHFFFAOYSA-N 456.501 3.344 10 10 JGCE COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1cccc(C)c1 2297345230 DWDFWKALNMKHMF-UHFFFAOYSA-N 484.559 3.204 10 10 JGCE CN(CCO)c1cc(N2CCN(c3ccccn3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 20857907 VQSBRGVLBSVEGE-UHFFFAOYSA-N 455.518 3.189 10 10 JGCE Cc1c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(N2CCCC2)n(C)c(=O)c1C#N 33811883 OBDZKVAPNNQAFT-ATVHPVEESA-N 474.608 3.012 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)[C@H]3CCCN(Cc4cccc(Cl)c4)C3)CC2)cc1 1862003949 KTFAKDNSCQCLCQ-IRLDBZIGSA-N 499.055 3.414 10 10 JGCE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864010050 OAQBLKOMSOSGNM-JOCHJYFZSA-N 487.491 3.137 10 10 JGCE COc1ccc(N2CCN(c3cc(N4CCC[C@H]4C(=O)NCc4ccccc4)nc(C)n3)CC2)cc1 1869287675 NFTNVWIVEILFIS-VWLOTQADSA-N 486.620 3.405 10 10 JGCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCCOc4ccccc4)cc3)C(=O)N=C2S1 2297346244 PAKDZQGGLVWLCL-UHFFFAOYSA-N 484.559 3.156 10 10 JGCE CCOC(=O)c1ccc(NC(C)=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2CC(=O)OC)cc1 2313682989 PEKVIHDZSSAPCP-UHFFFAOYSA-N 466.450 3.423 10 10 JGCE COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NCCCCCC(=O)O)C2=O)cc1OC 15040437 UFNFQYZCUZXQAJ-JXAWBTAJSA-N 480.608 3.446 10 10 JGCE Cc1cc(CCNC(=O)NCCOc2ccc(S(C)(=O)=O)cc2)c(C)n1-c1ccccc1 730671122 XAAVMUFOFRLQOA-UHFFFAOYSA-N 455.580 3.418 10 10 JGCE COc1ccc(N2CCC(NC(=O)Nc3ccc(S(=O)(=O)C[C@H]4CCCO4)cc3)CC2)cc1 731401285 LFPGGLONINHTTC-JOCHJYFZSA-N 473.595 3.438 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@]3(C)CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1 1616251830 KBTXSCXMLXZMPI-VWLOTQADSA-N 458.603 3.009 10 10 JGCE CCOC(=O)c1c(NC(=O)C(=O)NC(C)(C)CO)sc(C)c1-c1ccc(Br)cc1 1860759100 TULSTQHRFQRWSN-UHFFFAOYSA-N 483.384 3.488 10 10 JGCE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2 1864019739 PWQKLUNFDMDFSI-SFHVURJKSA-N 454.914 3.058 10 10 JGCE COc1ccc(N2CCN(c3cc(N4CCN(c5ccc(OC)cc5)CC4)nc(C)n3)CC2)cc1 1867990920 ZAQWVHQHZJECEP-UHFFFAOYSA-N 474.609 3.455 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@H]3CCCCO3)c3ccccc3)CC2)cc1 1869049961 SNQZVEGGMKHEFT-NOZRDPDXSA-N 451.567 3.161 10 10 JGCE CCN(CC)CCCN1C(=O)C(NCCCN(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166022 YXEJUUSMWKHTTP-UHFFFAOYSA-N 479.669 3.447 10 10 JGCE COC(=O)c1sc(NC(=O)CCN2C(=O)C(=Cc3ccc(OC)cc3)SC2=S)nc1C 2042455644 IUXLDDQEYZKKTA-UHFFFAOYSA-N 477.589 3.477 10 10 JGCE O=C1C(=Cc2c(N3CCSCC3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 2296001940 HCJSFCOSLFZCEM-UHFFFAOYSA-N 458.634 3.392 10 10 JGCE COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)ccc1OCC(=O)O 16915166 AJIVZVZBQAGPNR-LZYBPNLTSA-N 478.935 3.358 10 10 JGCE O=C1N=C(O)/C(=C/c2ccc(I)o2)C(=O)N1c1ccc2c(c1)OCO2 32694298 DPPWRHMRFVOYFV-POHAHGRESA-N 452.160 3.120 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)N(Cc3ccccc3)C[C@H]3CCCO3)CC2)cc1 743362639 GRCLEZBTHNCMHF-RUZDIDTESA-N 452.599 3.208 10 10 JGCE CC(=O)N1CCC[C@H](CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 1524967553 AHYGAVNRUCPZSD-QJISPJEISA-N 451.639 3.104 10 10 JGCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NC[C@H](O)c1ccc(Cl)cc1)[C@H]2c1ccc(O)c(O)c1 1864009697 KOYMQUPQZWQNEZ-FPOVZHCZSA-N 498.967 3.211 10 10 JGCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864012849 KTCDNFCHAVSKDH-OAQYLSRUSA-N 478.524 3.407 10 10 JGCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC[C@H](C)C1)[C@H]2c1ccc(O)c(O)c1 1865034268 SICOXKUNFWDTPJ-NHYWBVRUSA-N 466.460 3.286 10 10 JGCE COc1ccc(N2CCN(c3nc(NC(=O)C(C)C)n(-c4ccc(OC)cc4)n3)CC2)cc1 1869969346 ATSNGPRBXJAACL-UHFFFAOYSA-N 450.543 3.206 10 10 JGCE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@@H](C(=O)NCc4ccncc4)[C@@H]3C2)cc1 169680432 NTPFUOMZVIWFPI-RSXGOPAZSA-N 458.562 3.283 10 10 JGCE CC[C@H](C)[C@]1(C(=O)O)N[C@H](c2cc(Br)ccc2O)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]21 248272048 ZWNGVNCVXITKIE-QKKGDZPZSA-N 467.360 3.068 10 10 JGCE CCN(CC)c1ccc(CN(C[C@H](O)COc2ccccc2C)[C@H]2CCS(=O)(=O)C2)cc1 256037652 GVUBRUVJROQXIU-ZEQRLZLVSA-N 460.640 3.270 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)NCc4ccccc4OC)c4ccccn34)CC2)cc1 1858223717 BSUJKUCLCINTJQ-UHFFFAOYSA-N 499.571 3.244 10 10 JGCE CCOc1ccccc1OCC(=O)N[C@@](C)(CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862176443 LAYXNCCDNMGBIR-SANMLTNESA-N 469.582 3.106 10 10 JGCE CCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1 1864017474 NDBSTDZZHSFQIY-FQEVSTJZSA-N 464.522 3.075 10 10 JGCE CC(C)C[C@H](C(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C)N1C(=O)c2ccccc2C1=O 1865897523 MVUVJMRTJMBRGL-PKTZIBPZSA-N 473.577 3.403 10 10 JGCE CCc1sc(NC(=O)[C@@H](N)CC(=O)O)c(C(=O)OC)c1-c1ccc(Br)cc1 1865999485 MTVJJHMFZHDUAX-NSHDSACASA-N 455.330 3.267 10 10 JGCE NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(Cc2ccc(N)cc2)cc1 1866120566 CAEAFDNTVGVDNK-HSZRJFAPSA-N 460.534 3.359 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccn3)C(=O)N(CCCN(C)C)C2=O)cc1 1873164076 KWKLTUFHIBLBKD-UHFFFAOYSA-N 457.578 3.311 10 10 JGCE COCCNC(=O)Cn1cc(C=C2C(=O)NC(=O)N(c3ccc4ccccc4c3)C2=O)c2ccccc21 2294581504 UIQNHGUHGBNHLE-UHFFFAOYSA-N 496.523 3.224 10 10 JGCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=CNc1ccc(N2CCOCC2)c(Br)c1 2297358324 ZBBMMIXXTCBLAN-UHFFFAOYSA-N 489.301 3.004 10 10 JGCE O=C(CN1C(=O)C(=Cc2cccc(F)c2)SC1=S)Nc1cc(C(=O)O)ccc1C(=O)O 2314935686 QNUYSBZIXHCJHU-UHFFFAOYSA-N 460.464 3.062 10 10 JGCE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@@H](C(=O)NCCc4ccccn4)[C@H]3C2)cc1 104917170 DGAYLVOMRTUMPR-XNMGPUDCSA-N 472.589 3.325 10 10 JGCE CN(C)c1ccc([C@@H](CNCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)N(C)C)cc1 257630818 GTZIGQCBVTXWAU-XMMPIXPASA-N 472.655 3.002 10 10 JGCE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 727483827 PSOLSPWHXYESFT-UHFFFAOYSA-N 482.600 3.367 10 10 JGCE Cc1cc(CCNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)c(C)n1-c1ccccc1 790467367 DQCNDWRJJPHKPN-UHFFFAOYSA-N 473.620 3.149 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cn(C)nc3-c3ccccc3Cl)cc2)CC1 1616252088 NSQWJSWHNHNIKO-UHFFFAOYSA-N 451.958 3.339 10 10 JGCE CCOc1cc(C)c(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1C 1858074859 URPSJUNKCKPDOC-JOCHJYFZSA-N 461.628 3.120 10 10 JGCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCc4nnc5ccccn45)c4ccccc34)[C@H]21 1860347364 LONMCQWMRIOZNK-MHZLTWQESA-N 491.555 3.147 10 10 JGCE CCC[C@@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861935616 MXMUZXQVZVBHIH-QKIKOGAMSA-N 481.593 3.359 10 10 JGCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1c[nH]c3ccccc13)=C(N)O2 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3.245 10 10 JGCE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CC(=O)O)C2=O)c1 102997270 XJZDYWPAYIFEPA-MHWRWJLKSA-N 467.528 3.389 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(S(=O)(=O)c4ccc(C)c(Cl)c4)C3)CC2)cc1 1858409217 NRDXFBFOTCYZBZ-GOSISDBHSA-N 478.014 3.016 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864009347 FVCGFWCJUORXNR-LJQANCHMSA-N 472.904 3.274 10 10 JGCE N=C1C(=Cc2ccc(-c3ccccc3Cl)o2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12 2297468943 CVBGNFGSAKNRHX-UHFFFAOYSA-N 483.937 3.468 10 10 JGCE COC(=O)c1ccc(CN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 2326944746 KYIWAPMMCFXRGF-UHFFFAOYSA-N 482.539 3.066 10 10 JGCE Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C\Nc3cc([N+](=O)[O-])ccc3O)C2=O)cc1C 105898184 RATXMTFIGGYUPG-XYOKQWHBSA-N 475.255 3.259 10 10 JGCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(C)cc1 254305534 LOBRYWLEAXZXRY-QHCPKHFHSA-N 461.587 3.173 10 10 JGCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(C)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 254703492 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3.291 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)N[C@H](c3ccc(F)cc3)[C@H]3CCCO3)CC2)cc1 742927941 AICBKZFJCAICSC-DNQXCXABSA-N 456.562 3.176 10 10 JGCE C[C@H]1CN(c2ccc(CNC(=O)NCc3ccc(OCCN(C)C)cc3)cc2F)C[C@@H](C)O1 918204981 DVEWXDYKVBLZBV-KDURUIRLSA-N 458.578 3.379 10 10 JGCE Cc1cccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)c1 1860826973 NKAPRXMAKDRPNC-VXPUYCOJSA-N 481.555 3.026 10 10 JGCE COc1cccc2c1C(=O)N(CCC(=O)Nc1ccc3c(c1)C(=O)c1ccccc1C3=O)C2=O 1865832171 NUQQCSIAKVDUDD-UHFFFAOYSA-N 454.438 3.095 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C[C@H]3CCCCO3)c3ccccc3)CC2)cc1 1869049960 SNQZVEGGMKHEFT-ILBGXUMGSA-N 451.567 3.161 10 10 JGCE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)=C[C@@H]1O 2136311958 OZZIKXANPUJHDD-APWZRJJASA-N 459.543 3.359 10 10 JGCE COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC(C)(C)C 8445524 DRLBNQUCORYKEW-MQNRADLISA-N 454.475 3.004 10 10 JGCE CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(CC)C3=O)c3ccccc32)cc1 39983084 MWVLGNMUVUZMIO-FMQUCBEESA-N 495.582 3.440 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(C)cc4)n([C@H]4CCS(=O)(=O)C4)n3)CC2)cc1 1858102698 LOVYCAQMUSCMGS-QFIPXVFZSA-N 494.617 3.189 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)CCCOc3ccc(C)cc3)CC2)cc1 1862214849 LXBQXANNLCUXRV-XMMPIXPASA-N 483.634 3.413 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)/C=C/c3ccco3)CC2)cc1 1862272450 CYXFLVDFIRKJER-AAJFVQQISA-N 459.546 3.378 10 10 JGCE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864012698 HBBBCKXWBPCOAV-VLIAUNLRSA-N 463.538 3.240 10 10 JGCE CCN(CC)CCCCn1cc(OC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870553714 GLJLKPVVXLLJMS-UHFFFAOYSA-N 456.631 3.310 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC=C(C)C)cn3CCCN(C)C)CC2)cc1 1870612202 QROYCSCSTCJHRS-UHFFFAOYSA-N 468.642 3.476 10 10 JGCE CCOCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(C)c(F)c2)[nH]1 1871577223 KEBYBJBWYFHQSB-UHFFFAOYSA-N 495.603 3.080 10 10 JGCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(F)cc3)C2=O)ccc1OCCC(=O)O 2314930916 AYZNCUWSYACEHW-UHFFFAOYSA-N 476.507 3.234 10 10 JGCE CCn1nc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)c1C 95920439 JXZLOSGIGLMVHJ-UHFFFAOYSA-N 469.611 3.074 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)Nc3nc(CN4CCC[C@@H](C)C4)cs3)CC2)cc1 742927937 AGKRJIYMMFTUDS-LJQANCHMSA-N 472.659 3.327 10 10 JGCE CCOC(=O)c1c(NC(=O)C(=O)NC[C@@H](C)O)sc(C)c1-c1ccc(Br)cc1 1860759127 VGZYCPRTRDTBJA-SNVBAGLBSA-N 469.357 3.098 10 10 JGCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2ccncc2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864007772 UWVVUHQKXMYFFW-HSZRJFAPSA-N 499.527 3.007 10 10 JGCE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864017076 DWCBFIIYGKHCEO-JOCHJYFZSA-N 483.528 3.252 10 10 JGCE CN(C)c1ccc([C@H](CNC(=O)CCCN2C(=O)Cc3ccccc3C2=O)N2CCCCC2)cc1 1866216499 CFMDIJWHMHKZPE-VWLOTQADSA-N 476.621 3.401 10 10 JGCE COc1ccc(N2CCN(c3cc(N4CCC[C@@H]4CO)nc(Cc4ccccc4)n3)CC2)cc1 1867947534 UEQLNLQPXNSRTC-HSZRJFAPSA-N 459.594 3.364 10 10 JGCE COc1ccc(N2CCN(c3nc(NC(=O)COc4cc(C)c(Cl)c(C)c4)n(C)n3)CC2)cc1 1869969263 KNZDLDGLADXXNR-UHFFFAOYSA-N 484.988 3.438 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(C)C)cn3C[C@H]3CCCO3)CC2)cc1 1870435620 OESQWAOPIQLWTI-XMMPIXPASA-N 455.599 3.393 10 10 JGCE CCCCn1c(C(=O)NCCCN(C)C)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873581417 LKKKSYDOZFORAH-UHFFFAOYSA-N 493.656 3.248 10 10 JGCE CCN1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(C3CCCCC3)C2=O)CC1 2053497221 AOSHVNYNQBQZKC-UHFFFAOYSA-N 483.663 3.370 10 10 JGCE CCOC(=O)C1=C(C)N=c2sc(=CC=Cc3ccco3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 2313515188 WTKNFDGISGJXMU-QFIPXVFZSA-N 463.559 3.122 10 10 JGCE COc1cccc(C(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)c1OC 10673558 YBPMCHHSFFZSHI-WOJGMQOQSA-N 472.544 3.064 10 10 JGCE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1 11085356 GDUAJYBCQMPFJK-UHFFFAOYSA-N 482.606 3.080 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)CCCOc3cccc4c3OC(C)(C)C4)CC2)cc1 13521315 XISOPCPLZINMLD-UHFFFAOYSA-N 460.596 3.330 10 10 JGCE CCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 33812549 UBRZJXSNGNUNHT-UYRXBGFRSA-N 473.668 3.190 10 10 JGCE Cc1ccc2nc(N3CCC(C)CC3)c(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)c(=O)n2c1 35520386 HSTCBXVYAQSURN-ATVHPVEESA-N 486.619 3.305 10 10 JGCE COc1ccc(N2CCN([C@H](CNC(=O)c3ccccc3[N+](=O)[O-])c3ccco3)CC2)cc1 38598130 KFBCNGWJOVZFLP-JOCHJYFZSA-N 450.495 3.490 10 10 JGCE CCn1c(N2CCC[C@@H](C)C2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O 39989715 DRGKTTKGCYRPHK-JVVDOCDTSA-N 488.635 3.351 10 10 JGCE O=C(CC[C@H]1CCCN(c2cc(NC3CC3)ncn2)C1)NCc1ccc(N2CCOCC2)cc1 65245355 FWAYDJAJDCFJDM-OAQYLSRUSA-N 464.614 3.201 10 10 JGCE CCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861909794 JOSJKJTUUNHLNF-OAQYLSRUSA-N 454.527 3.159 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)[C@@H]3CCCN(Cc4ccccc4Cl)C3)CC2)cc1 1861992070 GLUORXZQIIOPBQ-IFMALSPDSA-N 499.055 3.414 10 10 JGCE CCCCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1ccc(O)c(O)c1 1864014729 AWZKCNDRXGGBFC-CQSZACIVSA-N 454.449 3.241 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nn(-c4ccc(C)c(Cl)c4)c(C)cc3=O)CC2)cc1 1866405921 MHOZMXWNFKPBOA-UHFFFAOYSA-N 452.942 3.474 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C[C@@H](C)c3cccc(OC)c3)CC2)cc1 1868943082 RMLCTAXJXXDBQI-LJQANCHMSA-N 453.583 3.441 10 10 JGCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3OC)C2=O)ccc1OCCC(=O)O 2314932705 OORMXIXFVBEKLI-UHFFFAOYSA-N 488.543 3.104 10 10 JGCE COc1ccc(N2CCN(C(=O)Cn3ncc4c(C)n(Cc5ccccc5)c(C)c4c3=O)CC2)cc1 9824453 ZQDQEOKGSFZDIU-UHFFFAOYSA-N 485.588 3.221 10 10 JGCE Cc1cc(/C=C2\C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1 20356637 UXIIHQVFBAKUSZ-YFGLPBLDSA-N 452.515 3.142 10 10 JGCE COc1cccc(C2=NN(C(=O)/C=C3\SC(=O)NC3=O)[C@H](c3ccc(N(C)C)cc3)C2)c1 72413231 JIYIHDHQXHQJLQ-KYYPIKSYSA-N 450.520 3.306 10 10 JGCE CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OC(=O)c4ccccc4Cl)cc3)C(=N)N21 96459965 VDUHDTLPVTULLI-GPYXVNPCSA-N 488.934 3.180 10 10 JGCE COc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)NCCCC(=O)O)C2=O)cc1OC 210753949 PSDDHUQFIMXAOB-NBVRZTHBSA-N 480.608 3.446 10 10 JGCE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1705595646 AHNZDBQBDRXNEY-UHFFFAOYSA-N 468.605 3.368 10 10 JGCE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865026783 RVTTZQWSYYMKJP-QKKBWIMNSA-N 461.522 3.083 10 10 JGCE COc1ccc(N2CCN(C(=O)COc3cccc4c3C(=O)N(C3CCCCC3)C4=O)CC2)cc1 1865852329 SPAZLEFXRMQIFU-UHFFFAOYSA-N 477.561 3.352 10 10 JGCE CCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc3cc[nH]c3c2)[nH]1 1871586416 SJVBVAHCZBAQHD-UHFFFAOYSA-N 472.597 3.488 10 10 JGCE COc1cccc(C(=O)NN2C(=O)C(=Cc3ccc(O[C@@H](C)C(=O)O)cc3)SC2=S)c1 2314929933 UVDAPJXVPZCLAR-LBPRGKRZSA-N 458.517 3.093 10 10 JGCE COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N3C(=O)C(=O)c4cc(OC)cc2c43)S1 58978491 PEEMWUXROIXPTL-UHFFFAOYSA-N 491.568 3.093 10 10 JGCE CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cn(CCOc4ccccc4)c4ccccc34)C(=N)N21 96459530 HSOCOYJYHSIEJA-HORDIMCOSA-N 493.570 3.342 10 10 JGCE C[C@@H](NC(=O)c1cccc(NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1)C(=O)O 586698073 DZXOUNLUGZDAHL-CYBMUJFWSA-N 457.442 3.309 10 10 JGCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCCc1cccs1)[C@@H]2c1ccc(O)c(O)c1 1864009183 BNDCXOXIKCODIA-LJQANCHMSA-N 454.552 3.128 10 10 JGCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCCc1c[nH]c3ccccc13)[C@@H]2c1ccc(O)c(O)c1 1864009414 HADVBLSJHWQUER-JOCHJYFZSA-N 473.533 3.157 10 10 JGCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2 1865030365 IKGYDWNHWDNFNH-UWJYYQICSA-N 484.597 3.115 10 10 JGCE Cc1cc(C(=O)N[C@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)ccc1[N+](=O)[O-] 1867871120 JXUIHNNLEKECAD-NTKDMRAZSA-N 481.597 3.431 10 10 JGCE CCOC(=O)CN(C)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(Cc2ccccc2)n1 1867945106 ZYVWFUAHCPJVQV-UHFFFAOYSA-N 475.593 3.402 10 10 JGCE CN(C)CCN(CCNC(=O)OC(C)(C)C)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 2280538157 FIJDMVPDDIYRET-UHFFFAOYSA-N 477.650 3.455 10 10 JGCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc(OC)c1O 2297330150 RBMFEERXXVNTNP-UHFFFAOYSA-N 461.268 3.147 10 10 JGCE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1cc(OC)c(OC)cc1C(=O)OC 2313683052 QMAYDKJBHXPUIM-UHFFFAOYSA-N 497.504 3.151 10 10 JGCE COc1cc(C=C2SC(=S)N(CCCC(=O)Nc3nccs3)C2=O)cc(OC)c1O 2314831436 KXIVLNRORWEKPA-UHFFFAOYSA-N 465.578 3.486 10 10 JGCE O=C(O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1 16906493 KKTOKYLLFDBHGD-OQLLNIDSSA-N 493.360 3.459 10 10 JGCE COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1OC 20058716 UPEJWJJQCMNMRX-UHFFFAOYSA-N 451.500 3.000 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4ccc(C)cc4)cc3)C(=N)N21 96460204 DNOYJAOPEXQHOQ-IJFTXDGJSA-N 498.586 3.464 10 10 JGCE COc1ccc(N2CCC(NC(=O)Nc3ccc(S(=O)(=O)C[C@@H]4CCCO4)cc3)CC2)cc1 731401286 LFPGGLONINHTTC-QFIPXVFZSA-N 473.595 3.438 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)CCCOc3ccccc3)CC2)cc1 1862221646 QHJTZLBVOJLZSC-DEOSSOPVSA-N 451.567 3.194 10 10 JGCE CCCn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870443567 SXBBPKKLLRZNFC-UHFFFAOYSA-N 471.598 3.310 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873167630 QEOQTZXVGBSQAL-UHFFFAOYSA-N 483.576 3.016 10 10 JGCE CN1CCC(NC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)CC1 1873863863 LBBRQSLONYGTOW-MHZLTWQESA-N 471.605 3.389 10 10 JGCE COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n2)cc1OC 1874016526 FLJXXCNUWKAEIC-UHFFFAOYSA-N 495.491 3.342 10 10 JGCE COc1cc(OC)c([N+](=O)[O-])cc1C=C1C(=O)NC(=S)N(c2cccc(Br)c2)C1=O 2294235509 ZTVCNWIXNRLIGJ-UHFFFAOYSA-N 492.307 3.206 10 10 JGCE CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(S(=O)(=O)N2CCOCC2)cc1 2297511385 GTCQFQFJVXAYGW-UHFFFAOYSA-N 460.943 3.079 10 10 JGCE CCOc1cc(C=C2SC(=S)N(CCCC(=O)OC)C2=O)ccc1OCC(=O)N(CC)CC 2314761636 VSRWIEOUIGYVQN-UHFFFAOYSA-N 494.635 3.487 10 10 JGCE COc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1ccccc1C 20207772 JWFKTYNENPTZCD-ONVPTEKUSA-N 484.559 3.204 10 10 JGCE O=C(CN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1cc(C(=O)O)cc(C(=O)O)c1 210488929 UJIYNNBWXSMTTR-OVCLIPMQSA-N 460.464 3.062 10 10 JGCE CC(=O)N(C)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(N(C)C)cc2C)CC1 1705956763 BSHBUBDQZSRMJY-UHFFFAOYSA-N 461.614 3.134 10 10 JGCE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864008246 GOVYGLYGEXWOBZ-IBGZPJMESA-N 454.914 3.465 10 10 JGCE COc1ccc(N2CCN(c3nc(NC(=O)c4cnccn4)n(-c4ccccc4Cl)n3)CC2)cc1 1869969137 GKIWHFSBLWCPQW-UHFFFAOYSA-N 490.955 3.298 10 10 JGCE CCNC(=O)c1nn(Cc2cccc(C)c2O)c(C(F)(F)F)c1I 2079215819 PZDWNIZPWHNSKZ-UHFFFAOYSA-N 453.202 3.319 10 10 JGCE COc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1O 2294094888 CDLDUGHRSNFQKV-UHFFFAOYSA-N 492.269 3.289 10 10 JGCE COc1cc(C=C2C(=N)N3N=C(c4cccc(C)c4)SC3=NC2=O)ccc1OS(C)(=O)=O 2297357788 LFNVVVUWVCCPKJ-UHFFFAOYSA-N 470.532 3.009 10 10 JGCE CN1CCN(c2ccc(C=C3C(=O)NN(c4ccc(Cl)c(Cl)c4)C3=O)cc2[N+](=O)[O-])CC1 2297531800 NSVCONIWOCPXJD-UHFFFAOYSA-N 476.320 3.115 10 10 JGCE CC[C@H](Oc1ccccc1C=C1SC(=S)N(NS(=O)(=O)c2ccccc2)C1=O)C(=O)O 2314933078 SHVXBIPVASVBDQ-HNNXBMFYSA-N 478.573 3.023 10 10 JGCE CCN(CC)c1ccc(CN(C(=O)COc2ccccc2OC)[C@H]2CCS(=O)(=O)C2)cc1 54421754 XXRSYSMDPJVLBF-NRFANRHFSA-N 460.596 3.136 10 10 JGCE COc1ccc(N2CCN(c3ncnc(N4CCN(Cc5ccccc5)CC4)c3[N+](=O)[O-])CC2)cc1 54491306 ULTKDSIFVCYJCM-UHFFFAOYSA-N 489.580 3.042 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)Nc3cc(Cl)ccc3OC)CC2)cc1 585203486 VZANYEVPSORDNB-UHFFFAOYSA-N 497.017 3.021 10 10 JGCE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](O)c1ccc(Cl)cc1)=C(N)O2 1864021167 MGMCFFCGAPVLNJ-UXHICEINSA-N 498.967 3.074 10 10 JGCE CN(C)c1ccc([C@@H](NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)c2nccn2C)cc1 1865883753 IUUBARLOOICLSJ-XMMPIXPASA-N 494.555 3.197 10 10 JGCE COc1ccc(N2CCN(C(=O)c3ccc4nc(CNC(=O)c5ccccc5)[nH]c4c3)CC2)cc1 1872798026 FFNDQHOQWZNKIW-UHFFFAOYSA-N 469.545 3.464 10 10 JGCE CCCn1c(C(=O)NC[C@@H]2CCCO2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873572739 MUOYBNUHPICUSM-NRFANRHFSA-N 478.597 3.085 10 10 JGCE CCCCOCCCNC(=O)c1cc(OC(C)=O)c2c(c1)C(=O)c1cccc(OC(C)=O)c1C2=O 1873887530 UXILUNUUFVCHTF-UHFFFAOYSA-N 481.501 3.249 10 10 JGCE COc1ccc(N2C(=O)C(=Cc3ccc(-c4ccccc4C(=O)O)o3)C(=O)NC2=S)c(OC)c1 2313541684 UIUWYNDSYMROOC-UHFFFAOYSA-N 478.482 3.493 10 10 JGCE CC[C@@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1)C(=O)O 2314930795 JHYKMFRGDKLJDL-MRXNPFEDSA-N 487.515 3.383 10 10 JGCE CCOc1ccc(N(CC)S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(N(C)C)cc3)C2)cc1 36146154 TUZZAUPZNXJNJJ-NRFANRHFSA-N 488.654 3.251 10 10 JGCE COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCc1ccc(N2CCNC(=O)C2)cc1 46718203 HXRNTHOXVPKYHB-UHFFFAOYSA-N 481.556 3.414 10 10 JGCE Cc1ccc(N2C(=O)C[C@H](N3C(=O)/C(=C\c4cccc([N+](=O)[O-])c4)SC3=S)C2=O)cc1 103440004 ANUFPEQPXORHSO-KFXAOSDLSA-N 453.501 3.437 10 10 JGCE CN(C)c1ccc([C@@H]2N[C@](Cc3ccccc3)(C(=O)O)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]32)cc1 248079162 UWDBRZVCTXSTJT-IMBSWCNGSA-N 475.589 3.397 10 10 JGCE Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1cccc(C(=O)O)c1 1083996753 PHBNFLJQSUVVNH-GRSHGNNSSA-N 473.441 3.187 10 10 JGCE O=C1c2ccccc2C(=O)c2c(NC(=S)NS(=O)(=O)c3ccccc3[N+](=O)[O-])cccc21 1858612124 QLDUOXNHHHMDJS-UHFFFAOYSA-N 467.484 3.046 10 10 JGCE CC[C@@H](NC(=O)c1cc(-c2ccc(F)c(F)c2)[nH]n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868934235 CYAHTTRIIPXADN-OAQYLSRUSA-N 483.519 3.221 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)[C@@H]1CNCCCN1C(=O)OC(C)(C)C 1952690973 IYTWQNNKGCBLDC-IRXDYDNUSA-N 451.564 3.133 10 10 JGCE COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)[C@H](C)O4)cs2)cc1OC 11857669 NXMLFYCZIJXGTA-LBPRGKRZSA-N 475.548 3.372 10 10 JGCE O=C(NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)c1cccc2c1C(=O)c1ccccc1C2=O 25053261 NZKPZOLDUQZGSC-MOSHPQCFSA-N 483.505 3.323 10 10 JGCE Cc1ccc2nc(N3CCCC3)c(/C=C3\SC(=S)N(CCCCCC(=O)O)C3=O)c(=O)n2c1 33451859 FPDZQRPJABAAQV-LGMDPLHJSA-N 486.619 3.449 10 10 JGCE COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)o1 100288805 CGADCMLKCJIHSO-XDHOZWIPSA-N 482.474 3.317 10 10 JGCE COc1cc(/C=C2\SC(=S)N(Nc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)O 210452962 UGQQJXKIJLFXIA-SXGWCWSVSA-N 461.477 3.295 10 10 JGCE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(NC(=O)Cc4cccnc4)cc3)c2)CC1 1585113485 CCVVHPLLQTYXND-UHFFFAOYSA-N 457.534 3.184 10 10 JGCE COc1ccc(C)cc1S(=O)(=O)NC(=S)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858607622 OTWKFTUTXXZTBO-UHFFFAOYSA-N 466.540 3.454 10 10 JGCE Cc1nc(NS(=O)(=O)c2ccc(Cl)cc2)sc1C(=O)NCCc1ccc(O)c(O)c1 1860357155 ZSSQDZPDVUMZIH-UHFFFAOYSA-N 467.956 3.289 10 10 JGCE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864018665 QIKSNLLNXGGAOK-HXUWFJFHSA-N 466.513 3.263 10 10 JGCE CC[C@H](Oc1cccc(C=C2SC(=S)N([C@@H](CCSC)C(=O)O)C2=O)c1)C(=O)O 2314928209 RGRRGNMCRMTIAX-KBPBESRZSA-N 455.579 3.336 10 10 JGCE CN(C)c1ccc(C=c2sc3nc(-c4ccc(I)cc4)nn3c2=O)cc1 2326238662 LGLZKKGEXSQQCW-UHFFFAOYSA-N 474.327 3.036 10 10 JGCE COc1ccc(/C=C2\SC(=S)N([C@@H]3CC(=O)N(c4ccccc4)C3=O)C2=O)cc1OC 15051236 JCOIOEBKNVFJCV-JQFNYASXSA-N 454.529 3.237 10 10 JGCE C[C@@H](OC(=O)Cn1ncc2ccccc21)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 730638313 KDCCDMMTLZQOAJ-OAHLLOKOSA-N 453.454 3.382 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)Nc3ccc(CCC(=O)N4CCCC4)cc3)CC2)cc1 743313846 GLQYMTWPBOBQBY-UHFFFAOYSA-N 479.625 3.194 10 10 JGCE CCOCCOC(=O)Cn1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860827291 WCTDCWBBVKHCSL-LDADJPATSA-N 476.576 3.287 10 10 JGCE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864019518 KYDCOSWUJAHQEQ-HSZRJFAPSA-N 497.555 3.311 10 10 JGCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864021304 ADVUWNXPSZUKPL-BDJLRTHQSA-N 489.454 3.307 10 10 JGCE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccco1 1865305153 LJKJFMQPGPIRTH-QFIPXVFZSA-N 477.565 3.247 10 10 JGCE CN(C)c1ccc([C@@H](CN)N2CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC2)cc1 1881276837 CIVBGXVGOJOCOR-HXUWFJFHSA-N 463.623 3.457 10 10 JGCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C)C3=O)c(N3CCN(Cc4ccccc4)CC3)nc12 2296704173 QSEUIJMQUGZEAD-UHFFFAOYSA-N 491.642 3.156 10 10 JGCE COc1cc(C=C2C(=O)N(Cc3ccccc3F)N=C2C)ccc1OCCN1CCOCC1 2332105208 ILPKSVATTKXZLX-UHFFFAOYSA-N 453.514 3.347 10 10 JGCE Cc1ccccc1N1C(=O)/C(=C2/C(=O)N(CN3CCN(C)CC3)c3ccccc32)SC1=S 38204250 YIOSYHPXXMSFOU-MRCUWXFGSA-N 464.616 3.323 10 10 JGCE CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\NCCN/C=C1/C(=O)N(c2ccc(C)cc2)N=C1C 101350417 IWWFICQZXNZIKO-REPVBDINSA-N 456.550 3.396 10 10 JGCE O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1cn(CC(=O)N2CCCCC2)c2ccccc12 103555646 SMQNJMQXTBABNN-RGEXLXHISA-N 474.492 3.459 10 10 JGCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccoc3)c(=O)n2[C@@H]1c1ccc(N(CC)CC)cc1 254821112 DUMKCFDBAZZOLG-JOCHJYFZSA-N 465.575 3.238 10 10 JGCE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1ccc2c(c1)CCCN2C 1705630364 QPVKFSFHIIRUNM-UHFFFAOYSA-N 450.612 3.151 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)NCc4ccccc4F)c4ccccn34)CC2)cc1 1858224523 XTVXXYFUQUJBNM-UHFFFAOYSA-N 487.535 3.374 10 10 JGCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)CCC(=O)c3ccccc3)cc2)cc1 1858959782 VGIPCDPOCQJPKS-UHFFFAOYSA-N 481.530 3.025 10 10 JGCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCc1ccccc1OC)[C@H]2c1ccc(O)c(O)c1 1864022482 XSCSKYABZRYOQR-NRFANRHFSA-N 478.549 3.286 10 10 JGCE CCCCn1cc(OCC(=O)N(CC)CC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870628772 JGBXDMQPRAKROH-UHFFFAOYSA-N 484.641 3.226 10 10 JGCE COCCCNC(=O)c1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)sc2c1CCCC2 1871343018 XOWSDQBEMGKKFS-UHFFFAOYSA-N 453.542 3.102 10 10 JGCE O=C(CCN1CCCCC1)NN1C(=O)C(=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)SC1=S 2314488203 MGTKPZAPVJHAKT-UHFFFAOYSA-N 485.591 3.494 10 10 JGCE Cc1ccc(COc2ccc(C=C3SC(=S)N([C@@H](CCC(N)=O)C(=O)O)C3=O)cc2)cc1 2314541217 HOHNDDSYDWQUFV-SFHVURJKSA-N 470.572 3.494 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cc(C)n(-c4ccccc4OC)c3C)C(=N)N21 20206780 SEOWHKABOJSJKH-AXPJIBDUSA-N 471.564 3.114 10 10 JGCE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3c(F)cccc3F)c3ccco3)CC2)cc1 38619229 MPXZDDKPBYMLIG-OAQYLSRUSA-N 477.533 3.408 10 10 JGCE CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 59415933 CJUFMDQVHKYPTQ-XPWALMASSA-N 480.476 3.340 10 10 JGCE CCCCN1C(=O)C(=c2sc(=C3Sc4ccc(OC)cc4N3C)c(=O)n2CC)SC1=S 254291129 NFJJURNKJAGYEK-UHFFFAOYSA-N 493.701 3.015 10 10 JGCE O=C(O)CCNC(=O)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 586628884 LVJHZWCEPXLUMU-UHFFFAOYSA-N 457.442 3.311 10 10 JGCE O=C(Nc1ccc(C(=O)N2CCNCC2)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 586707929 JUFQXNYTFHDEEQ-UHFFFAOYSA-N 454.486 3.151 10 10 JGCE CC(=O)N1C[C@@H]2CCCN3CCC[C@H]([C@H]23)[C@@H]1CCCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 1614605405 ZNOJUSHPVBDRBW-CXXWFMJBSA-N 496.696 3.373 10 10 JGCE Cc1ccc(CCC(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)cc1 1858958090 IGUGBLPAIYZNKI-UHFFFAOYSA-N 467.547 3.304 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@H](C)Oc3ccccc3C(C)C)CC2)cc1 1862208780 JXURECXDTZXRTH-PMACEKPBSA-N 453.583 3.439 10 10 JGCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865032897 NNFRZVDOGMUCGG-HXUWFJFHSA-N 496.951 3.053 10 10 JGCE CCc1ccc(N2C(=O)C(=Cc3ccc(OCC(=O)O)c(Br)c3)C(=O)NC2=S)cc1 2294229023 FSKQIVCGNJSIHC-UHFFFAOYSA-N 489.347 3.306 10 10 JGCE COc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1ccccc1F 2297345849 IAYZBYYUKAGGHY-UHFFFAOYSA-N 488.522 3.035 10 10 JGCE CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/c3ccc(O)cc3O)SC2=S)cc1 15036023 PBHFZSLVXNWZJP-MFOYZWKCSA-N 458.517 3.114 10 10 JGCE O=C(O)CNC(=O)CCCCCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S 15044655 IXMMJUNYHOHKDC-ZROIWOOFSA-N 487.397 3.117 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@H]3CCCN(Cc4ccc(F)cc4)C3)CC2)cc1 1861996105 FORRGFRJMWJSFP-QFIPXVFZSA-N 496.627 3.290 10 10 JGCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccncc1)[C@@H]2c1ccc(O)c(O)c1 1864021303 ABXJDUHLESGTLX-MRXNPFEDSA-N 489.454 3.129 10 10 JGCE CCOC(=O)N1CCC(N2C(=O)C(NCCOC)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873165797 VQMSYWDRWNGUNY-UHFFFAOYSA-N 494.592 3.031 10 10 JGCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCc4ccccc4)C3=O)c(N3CCOCC3)nc12 2053498503 ZAVLRZYHRXGPAG-UHFFFAOYSA-N 492.626 3.283 10 10 JGCE CS(=O)(=O)C1=NN2C(=N)C(=Cc3c(-c4ccc(Cl)cc4)nc4sccn34)C(=O)N=C2S1 2296400210 DXJNZXHHVCOOLF-UHFFFAOYSA-N 490.979 3.337 10 10 JGCE CCOC(=O)COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC 2297311002 JGQRJTSOVVHPFX-UHFFFAOYSA-N 474.922 3.122 10 10 JGCE COc1cccc(CN2CCc3nc(N4CCN(C)CC4)nc(Oc4ccc(F)cc4)c3C2)c1O 34755787 XXBYXUBPOYTJDT-UHFFFAOYSA-N 479.556 3.432 10 10 JGCE CN(C)c1ccc([C@@H]2N[C@](C(=O)O)(c3ccccc3)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]23)cc1 248085445 WJLXKQHXXRFTDG-RNLGNXJRSA-N 461.562 3.311 10 10 JGCE CC(=O)N1C[C@@H]2CCCN3CCC[C@@H]([C@H]23)[C@H]1CCCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 257178232 ZNOJUSHPVBDRBW-JGOFXRRVSA-N 496.696 3.373 10 10 JGCE CC(=O)N(C)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cn1 1526018276 UCURASSFNNIINR-BOPFTXTBSA-N 458.540 3.433 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)Cc3ccccc3C(=O)OC(C)(C)C)cc2)CC1 1634073686 CDOZWNKEARTJDY-UHFFFAOYSA-N 451.567 3.169 10 10 JGCE COc1ccc(S(=O)(=O)NC2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1Cl 1858044592 YLEPLXROKNIHBX-UHFFFAOYSA-N 470.975 3.322 10 10 JGCE COc1ccc(N2CCN(C(=O)CN=c3nc(O)c(-c4cccc(Cl)c4)c(C)[nH]3)CC2)cc1 1858529124 XRUNQTLTSVCDTD-UHFFFAOYSA-N 467.957 3.002 10 10 JGCE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NC(C)C)[C@@H]2c1ccc(O)c(O)c1 1864017099 FMGOJHFEFUYSKN-LJQANCHMSA-N 464.522 3.209 10 10 JGCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccccn1)[C@@H]2c1ccc(O)c(O)c1 1864023013 UFKKMDLCYFLAER-MRXNPFEDSA-N 489.454 3.129 10 10 JGCE COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)SCC(=O)N2C(C)C)cc1 1891961824 DOESKLWXHWQLOV-JWQCQUIFSA-N 483.634 3.446 10 10 JGCE COCCN1C(=O)C(=Cc2c(NCc3ccco3)nc3ccc(C)cn3c2=O)SC1=S 2296711402 WXDXFPWLMMCWMM-UHFFFAOYSA-N 456.549 3.056 10 10 JGCE CCC(=O)NCCc1c(C=C2C(=O)NC(=S)N(c3ccccc3OC)C2=O)[nH]c2ccccc12 2297638899 FIVBXYXCARQNKW-UHFFFAOYSA-N 476.558 3.077 10 10 JGCE O=C1C(=Cc2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 2314432746 FQDQHMKAQWMMEZ-UHFFFAOYSA-N 498.630 3.182 10 10 JGCE Cc1cc(CCNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)n1-c1ccccc1 11085458 HSAMMUWLKANAKK-UHFFFAOYSA-N 467.591 3.088 10 10 JGCE N=C1/C(=C\c2ccc(OCc3ccccc3F)cc2)C(=O)N=C2SC(N3CCOCC3)=NN12 20356628 RUKUKEVSEWDTMC-RBRHTRMMSA-N 465.510 3.314 10 10 JGCE COC(=O)CCCN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCCCC3)cc2)SC1=S 40938650 PEJWGBCHUMCNJP-NBVRZTHBSA-N 462.593 3.232 10 10 JGCE O=C1/C(=C2/SC(=S)N(c3ccc(F)cc3)C2=O)c2ccccc2N1CN1CCOCC1 108885603 SFNWUQYVRVIVNP-VHEBQXMUSA-N 455.536 3.238 10 10 JGCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(C)(C)O)[C@@H](C)C1 1722780667 NKTZKRMTFGTBNH-SFHVURJKSA-N 450.587 3.181 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)Cc3cc(OC)ccc3Cl)CC2)cc1 1861899235 LXYQVMDGJIIWJM-UHFFFAOYSA-N 459.974 3.143 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCCC(C)C)[nH]c(=Nc4cccc(F)c4)[nH]3)CC2)cc1 1871547341 GKQKOWVWGNZWTB-UHFFFAOYSA-N 465.577 3.391 10 10 JGCE CCOCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CC 1875199905 BOTASIGWDJLBDN-UHFFFAOYSA-N 466.586 3.261 10 10 JGCE COc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)ccc1O[C@@H](C)C(=O)O 2294199365 WWUJZDXFMPDQNS-NSHDSACASA-N 460.895 3.032 10 10 JGCE C[C@H](C(=O)NCCCC(=O)O)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 15048288 LTGUMERXKQHPCU-PEHNMLCRSA-N 457.371 3.020 10 10 JGCE CO[C@H]1c2cc3c(c(O)c2-c2c(cc4cc(C)[nH]c(=O)c4c2O)[C@@H]1O)C(=O)c1ccc(C)c(O)c1C3=O 15202981 AYAYSZMHAWZBCX-IGKIAQTJSA-N 499.475 3.439 10 10 JGCE biogenic,in-vitro N=C1/C(=C\c2ccc(OCc3ccccc3[N+](=O)[O-])cc2)C(=O)N=C2SC(N3CCOCC3)=NN12 20356672 SXDILZFHVDLRIH-HORDIMCOSA-N 492.517 3.083 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)Oc3cc(C(F)(F)F)c4c(C)nn(C)c4n3)CC2)cc1 45992689 RBCAOCKGFSQPAE-HNNXBMFYSA-N 477.487 3.420 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)C(=C3CCCC3)C(=O)N4)CC2)cc1 46053996 YFIAZIVPPGXZAV-UHFFFAOYSA-N 453.564 3.486 10 10 JGCE COC(=O)c1c(N/C=C2/C(=O)NC(=S)N(c3cccc(C)c3)C2=O)sc2c1CCCC2 254513763 IXGVBVYIBOSPAG-PTNGSMBKSA-N 455.561 3.466 10 10 JGCE COC(CNC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1)OC 586693644 VVYAVVFLBYYLQM-UHFFFAOYSA-N 473.485 3.455 10 10 JGCE COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4C(=O)O)o3)C(=O)NC2=S)c(OC)c1 1084430747 UIUWYNDSYMROOC-BOPFTXTBSA-N 478.482 3.493 10 10 JGCE CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)NCc3cccc(Br)c3O)cc21 1561537347 YSWCKRJLTOSANJ-LBPRGKRZSA-N 453.358 3.493 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1864021541 CMHZWSCGCFTPIX-MRXNPFEDSA-N 492.429 3.331 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nonc3OCc3ccc(C(=O)OC(C)C)cc3)CC2)cc1 1872678648 FWXJVQPUANRNNE-UHFFFAOYSA-N 480.521 3.185 10 10 JGCE CC[C@H](Oc1ccc(C=C2SC(=S)N([C@H](CCSC)C(=O)O)C2=O)cc1)C(=O)O 2314927435 FNITYGMILTXBII-KGLIPLIRSA-N 455.579 3.336 10 10 JGCE C[C@@H](C(=O)Nc1ccccc1)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326941565 OSEMRMAMEDUHHP-ZDUSSCGKSA-N 481.555 3.107 10 10 JGCE Cc1cc(C(=O)NCCS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c(C)n1-c1ccc(Br)cc1 29184485 ZZENRRHGBACCEV-HZPDHXFCSA-N 498.443 3.025 10 10 JGCE COc1ccc(N2N=C(c3ccccc3)/C(=C(/C)NCCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 205951982 MNQGCNSNTNBLJL-HKOYGPOVSA-N 490.585 3.200 10 10 JGCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)CC1 226789625 IPOPEDBCTCTDJW-ZRCGQRJVSA-N 454.552 3.357 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCN(C(=O)c4cccc(Br)c4)C3)CC2)cc1 1858361797 RURLHQNDQWDXKJ-SFHVURJKSA-N 472.383 3.269 10 10 JGCE CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862005968 XSFIWWGBRDNYLB-ZEQKJWHPSA-N 478.637 3.151 10 10 JGCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864014288 RDVFFOVENQMXGC-FQEVSTJZSA-N 472.586 3.139 10 10 JGCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)[C@H]2c1ccc(O)c(O)c1 1865035374 RWFABTUBAUERLB-MDOVXXIYSA-N 454.571 3.466 10 10 JGCE CCc1sc(NC(=O)[C@@H]2C[C@H](O)CN2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866041973 KTFWLUFHIWSANA-STQMWFEESA-N 453.358 3.188 10 10 JGCE C[C@H](NC(=O)[C@H](c1ccccc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866693272 DRXTWSQDQAVVGF-HJPURHCSSA-N 455.514 3.208 10 10 JGCE CC(=O)NCCN1C(=O)C(N[C@@H]2CCCC[C@@H]2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170248 SFGASONTTDHYPW-GAJHUEQPSA-N 462.594 3.478 10 10 JGCE COC(=O)COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Br 2294093717 HYRDDIBVLOBLEB-UHFFFAOYSA-N 487.306 3.284 10 10 JGCE CCN1C(=CC=c2sc(=C3SC(=S)N(C)C3=O)n(CC)c2=O)Sc2ccc(Cl)cc21 2297550099 TWGUAIFZBGSTDN-UHFFFAOYSA-N 496.104 3.436 10 10 JGCE Cc1ccc(COc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)cc1 20207759 KGVJFQCJDPKLGU-WBIXSPHCSA-N 454.533 3.195 10 10 JGCE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CC(=O)O)C2=O)c1C 39835798 IQCYZTSQIQNKEK-MHWRWJLKSA-N 467.528 3.389 10 10 JGCE CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@@](Cc1c[nH]c3ccccc13)(C(=O)O)N[C@H]2c1ccc(N(C)C)cc1 248034192 IYOOOPCLSPKKSZ-IMBSWCNGSA-N 488.588 3.346 10 10 JGCE CCN(CC)c1ccc(CN(C[C@@H](O)COc2ccccc2F)[C@H]2CCS(=O)(=O)C2)cc1 256037947 JNWAAQZNMUSFRE-FCHUYYIVSA-N 464.603 3.101 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1 1861958582 MQNBHQMFKMKDDA-CGIBVWHJSA-N 498.605 3.203 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N(CCCC(=O)O)Cc1ccccc1 2180242484 PLMVXPUDUMJOSB-IBGZPJMESA-N 472.538 3.427 10 10 JGCE C[C@@H](CCN(C)C(=O)OC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200970508 JOLPGORCZJNNQV-RDJZCZTQSA-N 481.590 3.295 10 10 JGCE COc1ccc(Br)c(CN[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)c1O 2227750836 LWUFERLKCSFZES-ROUUACIJSA-N 465.344 3.337 10 10 JGCE Cc1ccc(C)c(OCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)c1 2297345019 IHMQOHMPPZEDPM-UHFFFAOYSA-N 498.586 3.383 10 10 JGCE COc1cc(/C=C2\C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OC(C)=O 33333426 HIAHMCRLZOBVJB-LZYBPNLTSA-N 459.296 3.461 10 10 JGCE Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)cc1 59858364 SFQVZPTZELRSIQ-UNOMPAQXSA-N 460.450 3.285 10 10 JGCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)Nc1ccccc1C(=O)OC 205948928 NRLBBQWDTFGXHO-DEDYPNTBSA-N 452.423 3.033 10 10 JGCE NS(=O)(=O)c1ccc(CCN2C(=O)/C(=C\c3cc(Cl)ccc3O)SC2=S)cc1 1858590704 FOEOBIHQWCGPNZ-MHWRWJLKSA-N 454.982 3.137 10 10 JGCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864021189 MQAJFJHLEIOFIA-OAQYLSRUSA-N 462.550 3.320 10 10 JGCE C[C@H](NC(=O)CCc1ncc2ccccn12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866892919 MPEOZPBJESEJSV-INIZCTEOSA-N 466.497 3.186 10 10 JGCE COc1ccc(N2CCN(c3cc(N4CCC(CO)CC4)nc(-c4cccnc4)n3)CC2)cc1 1868004237 PVCPKUBDBQUOJD-UHFFFAOYSA-N 460.582 3.083 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccccn3)CC2)cc1 1874642725 LTSHZPZBVSBQPZ-AREMUKBSSA-N 483.572 3.261 10 10 JGCE O=C(O)CN1C(=O)C(=Cc2cc(Br)cc(Br)c2O)SC1=S 2293467645 ZEQADERYHZQEIW-UHFFFAOYSA-N 453.133 3.203 10 10 JGCE O=C1C(=Cc2ccc3c(c2)OCO3)SC(=S)N1CCCC(=O)N(CCO)c1ccccc1 2297349528 UOWNLIFLLZTHNZ-UHFFFAOYSA-N 470.572 3.422 10 10 JGCE CCCS(=O)(=O)c1ccc(-c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)no2)cc1 40324829 KGFFJWXBIBZINN-UHFFFAOYSA-N 469.563 3.496 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)c3cccn4c(=O)c5cc(Cl)ccc5nc34)CC2)cc1 63709772 UUHPUSGRHCLTLV-UHFFFAOYSA-N 491.979 3.062 10 10 JGCE CN(C)c1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CN2C(=O)CNC2=O)cc1 72413701 NQYAQBDAYLDTBR-QHCPKHFHSA-N 455.518 3.135 10 10 JGCE COc1ccc(N2C(=O)/C(=C\c3ccc(Br)s3)C(=O)NC2=S)c(OC)c1 1084459897 GHLMNTKUBPBESN-FLIBITNWSA-N 453.339 3.359 10 10 JGCE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2c(Cl)ccc3nonc23)cc1 1128606860 KYBYTSXOJQIQOR-UHFFFAOYSA-N 450.904 3.118 10 10 JGCE CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2CCCSc2nccs2)[C@H](C)C1 1540985400 CARJOGYWISLTMS-MRXNPFEDSA-N 457.629 3.344 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)N(C)CCc4ccncc4)c4ccccn34)CC2)cc1 1858224265 SJGIYZUAJFAXKO-UHFFFAOYSA-N 498.587 3.015 10 10 JGCE COc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c1OCC(=O)O 2294289119 OIEAPTDACYAOGP-UHFFFAOYSA-N 478.935 3.358 10 10 JGCE COc1ccc(N2CCN(C(=O)c3ccc(CN4C(=O)CCn5nc(C)cc54)cc3)CC2)cc1 20938481 FACHQJLBKYLORE-UHFFFAOYSA-N 459.550 3.099 10 10 JGCE CN(Cc1ccccc1)c1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCCC(=O)O)C1=O 33925174 FHFODKVUAKSIEG-NBVRZTHBSA-N 494.598 3.397 10 10 JGCE O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)N1CCN(CCc2ccccn2)CC1 38645414 FEEXNHVYDPGZDT-QOCHGBHMSA-N 480.659 3.450 10 10 JGCE CCCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O 39990227 VELVBTSMSPZHDO-GBBOCIJVSA-N 460.625 3.273 10 10 JGCE COc1ccc(N2CCN(C(=O)/C=C\c3ccc(S(=O)(=O)NCc4ccco4)cc3)CC2)cc1 97990384 GVVORBIXDYZBNN-MLPAPPSSSA-N 481.574 3.129 10 10 JGCE CCN1C(=O)/C(=C/c2cc(C)n(C3CC3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 101378159 CAKZDYRGKGQKHE-HYARGMPZSA-N 455.580 3.368 10 10 JGCE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1705946010 XAGAXUNPJUCPKS-FQEVSTJZSA-N 475.684 3.336 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3cccc(Br)c3)CC2)cc1 1862038701 DDWDVALRYFSFGK-UHFFFAOYSA-N 460.372 3.315 10 10 JGCE CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867757680 GVSUSSVOKJXMFV-QFIPXVFZSA-N 487.988 3.387 10 10 JGCE COc1ccc(N2CCN(c3cc(N4CCN(C)CC4)nc(Cc4ccccc4)n3)CC2)cc1 1867948235 JFLOOHYOPKNSFH-UHFFFAOYSA-N 458.610 3.154 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)Cc3ccc(C)c(Br)c3)CC2)cc1 1869029234 IZNWOXMQBVBNEF-QGZVFWFLSA-N 474.399 3.162 10 10 JGCE CC(C)[C@]1(C)NC(c2ncccc2C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)=NC1=O 1874179973 UFRMPZMXTPSCAL-MHZLTWQESA-N 466.497 3.400 10 10 JGCE COc1cc(C=C2SC(=S)N(CCN3CCOCC3)C2=O)cc(Cl)c1OC(F)F 2040496001 NEUNGDLXZLDREL-UHFFFAOYSA-N 464.943 3.483 10 10 JGCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OC 2294093784 PHEYBQCCNMGQON-UHFFFAOYSA-N 475.295 3.450 10 10 JGCE CCOC(=O)COc1ccccc1C=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 2313560764 GCIUOXFDWRYGBX-UHFFFAOYSA-N 473.279 3.057 10 10 JGCE COC(=O)[C@@H](c1ccccc1)N1C(=O)C(=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)SC1=S 2314766716 BKPYSFKZWAVUCK-OAHLLOKOSA-N 455.473 3.033 10 10 JGCE CC1CCC(OC(=O)CN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)CC1 2326944758 OMCXJXWMYNKEAH-UHFFFAOYSA-N 488.587 3.201 10 10 JGCE CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\c1ccc2c(c1)n(C)c(=O)n2C 16694592 GKRQBRHVEUOKNT-YBEGLDIGSA-N 472.286 3.288 10 10 JGCE O=C(O)COc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccccc2Br)C1=O 16909890 LKDFHFCDXDORMP-OQLLNIDSSA-N 493.360 3.459 10 10 JGCE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3cc(C)ccc3OC)c3ccco3)CC2)cc1 38619262 WXORFCRHEJUOPV-QFIPXVFZSA-N 485.606 3.447 10 10 JGCE CCOC(=O)CCCN1C(=O)/C(=C\c2ccc(OCC(=O)N(CC)CC)cc2)SC1=S 40938828 CPMNRWJIGROBDK-NBVRZTHBSA-N 464.609 3.478 10 10 JGCE CC[C@](C)(NC(=O)CCCOc1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862221400 JHMVVAIOQPZEKU-SANMLTNESA-N 453.583 3.488 10 10 JGCE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864009991 HOYLBJIHTAUGSP-HXUWFJFHSA-N 498.967 3.347 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(Cc3cccnc3)C2=O)cc1 1873168850 MIGQCVMQKDXFDM-UHFFFAOYSA-N 466.545 3.325 10 10 JGCE O=C(O)CN1C(=O)C(=Cc2cc(Br)c(O)c(Br)c2)SC1=S 2297297239 VALFODVLNARNTJ-UHFFFAOYSA-N 453.133 3.203 10 10 JGCE C[C@H](C(=O)NCCCC(=O)O)N1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2314837411 RZXCSLKEGUDONB-SNVBAGLBSA-N 457.371 3.020 10 10 JGCE Cc1ccc(C)c(NC(=O)CN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)c1 2326941570 QWAVKZDDKGFSQD-UHFFFAOYSA-N 495.582 3.335 10 10 JGCE CCN(CC)c1ccc(CN(C[C@@H](O)COc2cccc(C(C)=O)c2)[C@@H]2CCS(=O)(=O)C2)cc1 40319346 DFXDPDBYZYNZQE-JWQCQUIFSA-N 488.650 3.164 10 10 JGCE COC(CNC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1)OC 586630336 VGZXKPCFFIPEJG-UHFFFAOYSA-N 473.485 3.455 10 10 JGCE COc1ccc(CN2C(=O)c3ccc(C(=O)Nc4cccc(C(=O)O)c4C(=O)O)cc3C2=O)cc1 1859473650 ONHLBDHPSBCNDP-UHFFFAOYSA-N 474.425 3.140 10 10 JGCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1864010648 AFVNJAIOJUNVHR-ZSEKCTLFSA-N 466.513 3.399 10 10 JGCE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864018592 OSPQJKFYLNFZFC-FQEVSTJZSA-N 489.557 3.313 10 10 JGCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CCC)CC1)=C(N)O2 1865030034 AUBBAHSJOUZHDF-JOCHJYFZSA-N 497.640 3.152 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)Cc3sc(C)nc3C)CC2)cc1 1868582673 POLYYLZQUHRUQD-XMMPIXPASA-N 492.645 3.387 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4)cn3CCCO)CC2)cc1 1870468715 QATGBUHQYMISAB-UHFFFAOYSA-N 463.578 3.141 10 10 JGCE CCOc1ccc(C(=O)NCCN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)cc1 2040494948 ATTZXKSGVDIGRY-UHFFFAOYSA-N 456.545 3.445 10 10 JGCE COC(=O)c1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc1 2294229392 PJXKDGZHTOIVGT-UHFFFAOYSA-N 459.321 3.375 10 10 JGCE CCCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(CCC)C2=O)c(C)c(C#N)c1=O 39990289 CZRISZJETMLCKR-AQTBWJFISA-N 460.625 3.276 10 10 JGCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCC(=O)O)C3=O)c(N(C)Cc3ccccc3)nc12 102835537 WMRUGSVSYCIXGB-QGOAFFKASA-N 494.598 3.315 10 10 JGCE CC(=O)N1CC[C@@H](CN(C)c2nnc(C(C)(C)C)n2Cc2ccc(N3CCC(CO)CC3)cc2)C1 1508182292 FRPCQINZDRYSAW-QHCPKHFHSA-N 482.673 3.137 10 10 JGCE Cc1ccc(OCCN2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 1860827419 XLTAFVNFUYSFNQ-VXPUYCOJSA-N 468.556 3.467 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)Cc3ccc(Cl)cc3)CC2)cc1 1861959417 LNNUWZOQJGQNHT-QFIPXVFZSA-N 476.042 3.478 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@H]3CCCN(Cc4ccccc4)C3)CC2)cc1 1861999663 GSFJEAIPHRJFDF-QHCPKHFHSA-N 478.637 3.151 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3cc4ccccc4n3C)CC2)cc1 1862078834 HNIVNYUJPWXCGX-HSZRJFAPSA-N 464.591 3.051 10 10 JGCE CCc1ccc(OCCCC(=O)N[C@@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862229004 DJMBWBGAFUUSNS-FQEVSTJZSA-N 453.583 3.270 10 10 JGCE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865035501 VQMVYMUSMOKXQP-OAQYLSRUSA-N 475.549 3.194 10 10 JGCE CCc1ccc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3C)cc1 1865494741 FWOVGHIDDIIEKC-XMMPIXPASA-N 487.604 3.343 10 10 JGCE CCOc1ccc(-n2nc(C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)c(=O)cc2C)cc1 1866286385 KXILSJVREVKGIA-XMMPIXPASA-N 486.576 3.259 10 10 JGCE COCCCNC(=O)c1c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)sc2c1CCCC2 1871343060 ZXGNNEUZMPGURF-UHFFFAOYSA-N 465.597 3.152 10 10 JGCE O=C(CCCCCN1C(=O)c2nccnc2C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179808 QLYQHWRAGSLVKQ-UHFFFAOYSA-N 468.469 3.047 10 10 JGCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OC 2293250212 PDIIXVCQNUVZMY-UHFFFAOYSA-N 461.268 3.141 10 10 JGCE COCCCN1C(=O)C(=Cc2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 2296851519 NAKOYDQGKQOCOF-SFHVURJKSA-N 496.614 3.078 10 10 JGCE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)[C@H](C)O)cc1C 8760984 WOHMVBUWSLHCMV-NBGIEHNGSA-N 498.601 3.165 10 10 JGCE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccc(C(C)=O)cc3)c3ccco3)CC2)cc1 38619240 QMKVNAKEMGZCLP-XMMPIXPASA-N 483.590 3.333 10 10 JGCE CCN(C(=O)CCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)SC1=S)[C@H]1CCS(=O)(=O)C1 97595325 IQFBPFWEHWQWCE-DYGKOUCMSA-N 480.677 3.437 10 10 JGCE CC(=O)N1CC[C@@H](CN(C)c2nnc([C@H]3CCCO3)n2CCCSc2nccs2)C1 1540947334 HZSUCZYWRDRESP-DLBZAZTESA-N 450.634 3.073 10 10 JGCE COc1ccc(N2CCN(C(=O)CCN=c3nc(O)c4ccc5ccccc5c4[nH]3)CC2)cc1 1858536872 KOBWSAZBKSYXIM-UHFFFAOYSA-N 457.534 3.070 10 10 JGCE CC[C@@H](C)[C@@H](CO)NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1860347456 QGUDVNUGAKWEDG-HIIGZGGBSA-N 460.578 3.311 10 10 JGCE CC[C@@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861976480 IEYAKWMYLJHTLS-AREMUKBSSA-N 496.627 3.290 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3cccc(Br)c3)CC2)cc1 1862039336 ONHBZHYOUQZLIF-NRFANRHFSA-N 472.383 3.411 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccc(OC)c3)CC2)cc1 1862047288 RLRNQOUPPXEZSW-AREMUKBSSA-N 473.573 3.394 10 10 JGCE CCCC[C@@H](NC(=O)COc1ccccc1OCC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862175823 FFIATHRLPSQTKP-HSZRJFAPSA-N 483.609 3.497 10 10 JGCE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864010702 VUFULHWZQKFXFB-NRFANRHFSA-N 466.513 3.409 10 10 JGCE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2 1864011577 VMLZKYNHWXTJPJ-XMMPIXPASA-N 499.571 3.118 10 10 JGCE CCOC(=O)COc1cn(CCNC(C)=O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871149750 YKXTWTWHQBUIRC-UHFFFAOYSA-N 478.549 3.282 10 10 JGCE COc1cc(OC)cc(N2C[C@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2=O)c1 1874178996 GPJCKQUZNMAHET-OAHLLOKOSA-N 470.481 3.471 10 10 JGCE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)c1cc2c(cc1N)NC(=O)CC2 2106816617 PXSKHEFHLOPURX-UHFFFAOYSA-N 463.579 3.009 10 10 JGCE CCOC(=O)c1ccc(N2C(=O)N=C(O)/C(=C\c3cc(OC)c(OC)c(OC)c3)C2=O)cc1 2299619 VPRVLYYDHRHPLE-MHWRWJLKSA-N 454.435 3.396 10 10 JGCE COc1ccc(N2CCN(C3=NCCN3S(=O)(=O)c3ccc(CC(C)C)cc3)CC2)cc1 64929781 FGIOMVUKVVHZTH-UHFFFAOYSA-N 456.612 3.076 10 10 JGCE COc1ccc(N2CCN(C(=O)CCc3csc(NS(=O)(=O)c4ccccc4)n3)CC2)cc1 106206599 HRCHBAPWJZXRCQ-UHFFFAOYSA-N 486.619 3.234 10 10 JGCE CCC[C@H](NC(=O)CCc1ccc(OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861938587 ONFYKTKLYUYEQB-DEOSSOPVSA-N 453.583 3.270 10 10 JGCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2 1864007016 DCADRNYQJRSGCM-NRFANRHFSA-N 497.983 3.008 10 10 JGCE CCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864007938 XUFQWIADCBNFJX-IBGZPJMESA-N 454.914 3.466 10 10 JGCE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2 1864008203 FNDZSWQIBUHCMF-YCRPNKLZSA-N 496.951 3.235 10 10 JGCE Cc1ccc2nc(N3CCN(C)CC3)c(C=C3SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 2053512165 UQEQIEPXEJJOKI-UHFFFAOYSA-N 483.663 3.289 10 10 JGCE C[C@@H](NC(=O)CCN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S)C(=O)O 15038704 LGSYAPOMXGDIJX-JPVKTXQWSA-N 470.572 3.446 10 10 JGCE COc1ccc2c(c1OC)C(=O)O[C@@H]2NN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S 207329070 SVJCBNJKSIQOFD-ZGUWOUCSSA-N 473.488 3.187 10 10 JGCE COc1ccc(/C=C2/SC(=S)N(N[C@@H]3OC(=O)c4c3ccc(OC)c4OC)C2=O)c(OC)c1 207330042 YXAODTOCZKWDBR-SCFJZMLDSA-N 488.543 3.296 10 10 JGCE Cc1ccccc1/C=C1/SC(=S)N(CC(=O)Nc2cc(C(=O)O)ccc2C(=O)O)C1=O 210484565 NGOWNIISTDDIOH-CXUHLZMHSA-N 456.501 3.231 10 10 JGCE CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@@](C(=O)O)([C@@H](C)CC)N[C@H]2c1cc(Br)ccc1O 248194012 NMSILPWHTDGTDE-NRULZZDXSA-N 467.360 3.070 10 10 JGCE C[C@@H](NC(=O)Nc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1)C(=O)O 586611387 WSLYJIJSSBMTFW-CYBMUJFWSA-N 457.442 3.309 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 1861919480 XJUCKDYKQITOPK-VWLOTQADSA-N 488.544 3.293 10 10 JGCE O=C(CNC(=O)c1cc(-c2ccccc2)on1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868145168 IRLJCXAPCGMOJE-UHFFFAOYSA-N 451.438 3.486 10 10 JGCE COc1ccc(N2CCN(c3nc(=NC(=O)c4cccc(Cl)n4)n(-c4ccccc4)[nH]3)CC2)cc1 1869969950 BCUXPVRDSUWOIX-UHFFFAOYSA-N 489.967 3.325 10 10 JGCE COc1ccc([C@H](C2CC2)n2nc(C(C)C)c(C(N)=O)c2I)c(O)c1 2079999132 VHWUCWFVESCJSU-INIZCTEOSA-N 455.296 3.424 10 10 JGCE Cc1cc(C=C2NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 2297454404 AKIFOEWWTVEWED-UHFFFAOYSA-N 470.938 3.492 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(c4ncnc5c4nc4n5CCCCC4)C3)CC2)cc1 9153365 YCINYZUJHRGYPX-FQEVSTJZSA-N 489.624 3.127 10 10 JGCE Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(N4CCOCC4)c(Br)c3)C2=O)c1 104796228 INPWMJASPLSBJN-LGMDPLHJSA-N 485.338 3.173 10 10 JGCE CC1(C)C[C@H](O)C[C@](C)(CN/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)C1 198274785 SRTNTYUGBUHPJO-XLAHTPCYSA-N 464.360 3.083 10 10 JGCE CC[C@H](C)N1C(=O)/C(=C\c2c(N3C[C@H](C)O[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 261366758 LRKLJLTYHJXQEF-LFQMREPZSA-N 458.609 3.308 10 10 JGCE CC(=O)N(C)c1ccc(CNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1 1587572715 NLIPKRGPZUZWOM-UHFFFAOYSA-N 457.442 3.283 10 10 JGCE C[C@@H]1Oc2ccc(C(=O)COc3cccnc3NC(=O)Oc3ccc(N)cc3)cc2N(C)C1=O 1858695849 YXWIDPUWOCQYSV-AWEZNQCLSA-N 462.462 3.280 10 10 JGCE CCCC[C@@H](NC(=O)c1ccc(N(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862296123 ZJGSQIYWAIEWJK-XMMPIXPASA-N 452.599 3.399 10 10 JGCE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864017670 RINUQVOFXLPKHA-JOCHJYFZSA-N 492.576 3.472 10 10 JGCE COc1ccc(N2CCN(c3nc(NC(=O)c4cccc(OCC(C)C)c4)n(C)n3)CC2)cc1 1869969093 DGXWWUCILIBYIX-UHFFFAOYSA-N 464.570 3.437 10 10 JGCE CSc1ccc(C=C2SC(=O)N(CCNC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)C2=O)cc1 2040437183 LZLQTRLKFQIALK-BTYIYWSLSA-N 477.633 3.015 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1csnc1Br 2180926049 RDFKLSLPFQZNSD-JTQLQIEISA-N 458.334 3.391 10 10 JGCE C[C@H](CCCNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 2200953149 WUKHYHMSJFFPHR-WBVHZDCISA-N 481.590 3.343 10 10 JGCE Cc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)c(C)c1 2296714409 XAACMYKBVOUVNS-UHFFFAOYSA-N 495.582 3.335 10 10 JGCE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 2297460020 IZLXWJMVJSWTPL-UHFFFAOYSA-N 457.486 3.483 10 10 JGCE COc1cc(C=C2SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)cc(OC)c1O 2314539294 PIYUYSKXGLDHBM-UHFFFAOYSA-N 461.473 3.212 10 10 JGCE COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(C(=O)O)c(O)c3)C2=O)cc1OC 28115783 WDJZIUOLNKYCCU-VCHYOVAHSA-N 488.543 3.338 10 10 JGCE Cc1c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(N2CCCCCC2)n(C)c(=O)c1C#N 33812492 YYOQNNBBLMSVOJ-BKAYVGFPSA-N 472.636 3.326 10 10 JGCE CCn1c(N2CCCC2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 39989653 PXQLEWWGGWKFHN-GZQZNAIASA-N 458.609 3.029 10 10 JGCE Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)C1=O 59678868 XGCPOBOUYVGIPU-NDENLUEZSA-N 487.468 3.465 10 10 JGCE NS(=O)(=O)c1ccc(CN2C(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1 1858588489 IQWJTBPDDFLPDZ-OVCLIPMQSA-N 469.953 3.297 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C3CCN(Cc4ccc(F)cc4)CC3)CC2)cc1 1861975828 SKAHHDCYLUVCJF-UHFFFAOYSA-N 496.627 3.290 10 10 JGCE CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861997854 WIXGXUWSRZAQKF-ATIYNZHBSA-N 496.627 3.290 10 10 JGCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCCCO)[C@@H]2c1ccc(O)c(O)c1 1864016555 SFUDXYIWDFWMQV-OAQYLSRUSA-N 492.576 3.345 10 10 JGCE CC[C@H](C)[C@H](C(=O)N[C@H](c1ccc(N(C)C)cc1)c1nccn1C)N1C(=O)c2ccccc2C1=O 1865979059 XNRNYHLUJJRVHC-JJEOQYAHSA-N 473.577 3.403 10 10 JGCE CC(C)(C)OC(=O)NCc1cn(CCNCc2cc(Cl)cc(Br)c2O)nn1 2287097767 ZMAHSRVYZYQQOJ-UHFFFAOYSA-N 460.760 3.214 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cc(C)n(-c4cccc(C)c4)c3C)C(=N)N21 2297345538 GBIANUNADQOBLL-UHFFFAOYSA-N 455.565 3.414 10 10 JGCE Cc1ccc(COc2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)cc1 2297345882 KGVJFQCJDPKLGU-UHFFFAOYSA-N 454.533 3.195 10 10 JGCE COc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)c(C(=O)O)c1OC 2314930248 ZVXXQNIQVRGESC-UHFFFAOYSA-N 458.517 3.257 10 10 JGCE COc1ccc(C(=O)NN2C(=O)C(=Cc3ccc(O[C@H](C)C(=O)O)c(OC)c3)SC2=S)cc1 2314931880 ISZSNLAXXGYHIY-GFCCVEGCSA-N 488.543 3.102 10 10 JGCE CCCOc1cccc(C(=O)NC(=S)Nc2cc(OC)c(OC)cc2N2CCOCC2)c1 20496606 TWMLBMPVRGJHJU-UHFFFAOYSA-N 459.568 3.456 10 10 JGCE COc1ccc(C2=NN(C(=O)/C=C3\SC(=O)NC3=O)[C@H](c3ccc(N(C)C)cc3)C2)cc1 72413265 AZYPBEQUSWESEJ-KYYPIKSYSA-N 450.520 3.306 10 10 JGCE CC(C)[C@@H](NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21)C(=O)O 1616137950 FPUSHPYGACITLB-NOZRDPDXSA-N 474.561 3.404 10 10 JGCE CCCCN1C(=O)C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)[C@H]1c1cccc(OC)c1OC 1860319058 IQABNYNQCKWWJR-WZONZLPQSA-N 456.539 3.164 10 10 JGCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC)=C(N)O2 1864012822 KBSDDSJDMUBGCN-FQEVSTJZSA-N 466.513 3.265 10 10 JGCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864013974 KGFPQKQGDWPERP-NRFANRHFSA-N 477.565 3.309 10 10 JGCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3cccc(Cl)c3)CC2)cc1 1865089892 IJVFIQBJLMXTPD-JOCHJYFZSA-N 493.995 3.434 10 10 JGCE CC(C)(NC(=O)C(=O)Nc1ccc(F)c(F)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866855397 JNYDGDQKDNSADQ-UHFFFAOYSA-N 491.450 3.212 10 10 JGCE CCOCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cc(C)ccc2C)[nH]1 1871671099 YXHGSJQRBIDNEV-UHFFFAOYSA-N 491.640 3.250 10 10 JGCE CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N([C@H]2CCCC[C@H]2C)C1=O 1873167174 VICJQHIPVFOMAN-HXOBKFHXSA-N 462.594 3.478 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N(CCCN(C)C)C2=O)cc1 1873167883 BOEDSBKSEMJLMD-UHFFFAOYSA-N 474.609 3.002 10 10 JGCE CCCc1nn2c(=O)cc(COc3ccc(/C=C4\C(=N)N5N=C(C)SC5=NC4=O)cc3)nc2s1 20332021 XFZUGHLSGFLWDY-GICBFTDPSA-N 493.574 3.322 10 10 JGCE Cc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c(C)n1-c1ccccc1F 25837160 JILCYHCXPMBGDT-UHFFFAOYSA-N 477.583 3.246 10 10 JGCE COCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3OC)cc2)C(C(=O)OC)=C1C 33525936 UEWWVVKRVOVORT-HMMYKYKNSA-N 480.517 3.032 10 10 JGCE C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2c(NCCCO)nc3ccccn3c2=O)SC1=S 33933443 NCQDDYGWEYDIIA-JZBMNUFDSA-N 466.588 3.451 10 10 JGCE COc1ccc(N2CCN(C(=O)CN3CC=C(c4cnn(-c5ccc(F)cc5)c4)CC3)CC2)cc1 35404589 ANAFUKGTRLEXDQ-UHFFFAOYSA-N 475.568 3.458 10 10 JGCE CCC(=O)N1N=C(c2c(O)[nH]c(=O)n(Cc3ccccc3)c2=O)C[C@@H]1c1ccc(N(CC)CC)cc1 101765140 FWKVQVZBSXKJLN-JOCHJYFZSA-N 489.576 3.224 10 10 JGCE COc1ccc(N2CCN([C@H](CNC(=O)[C@@H]3COc4ccccc4O3)c3ccco3)CC2)cc1 106210060 DZOPICMMZPASOH-BWKNWUBXSA-N 463.534 3.108 10 10 JGCE O=C(O)[C@H](Cc1cnc[nH]1)N1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S 1858587125 OBNJXGZLECBDLM-XUKLUBCTSA-N 456.318 3.208 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864015845 WYVQBGANXVBMLC-OAHLLOKOSA-N 460.412 3.133 10 10 JGCE CCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1865034297 STHVIVWLQYIRIQ-MRXNPFEDSA-N 489.454 3.260 10 10 JGCE CN(C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C1CC(NC(=O)OC(C)(C)C)C1 2200961287 JDXDQWCPDPNXJM-JCYILVPMSA-N 479.574 3.048 10 10 JGCE Cc1cccc(N2C(=O)C(=C3C(=O)N(CN4CCN(C)CC4)c4ccccc43)SC2=S)c1 2297616194 JSRLRSSBENJWTQ-UHFFFAOYSA-N 464.616 3.323 10 10 JGCE Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC[C@H](C(=O)NCc4ccc(N(C)C)cc4)C3)c2)no1 21718067 ZZXYSJMPJCHGQB-NRFANRHFSA-N 497.621 3.137 10 10 JGCE CCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCN(c3ccccc3F)CC2)SC1=S 33458885 UHFUBBJMAGPBCB-DEDYPNTBSA-N 497.621 3.252 10 10 JGCE CCCn1c(N2CCCCC2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O 39989971 QZVIMPSOHQWSAG-AQTBWJFISA-N 488.635 3.495 10 10 JGCE Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c2C)c1 103592320 JXWLPJWLMWGQSG-ZQCYNNBZSA-N 490.589 3.271 10 10 JGCE CC[C@H](C)[C@]1(C(=O)O)N[C@H](c2cc(Br)ccc2O)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]21 248272050 ZWNGVNCVXITKIE-ZLULBZKSSA-N 467.360 3.068 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(C)n(-c4ccc(Cl)cc4)n3)cc2)CC1 1632945563 OYEQJSZAGDCWIS-UHFFFAOYSA-N 451.958 3.433 10 10 JGCE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NCc2c(O)ccc3ccccc23)cc1 1635965101 MFMPFYLAQGQBIM-UHFFFAOYSA-N 454.548 3.465 10 10 JGCE C[C@@H](O)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864014544 XUVJNNPAZFTZHK-OPAMFIHVSA-N 498.539 3.142 10 10 JGCE 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COc1ccc(N2CCC(NC(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)CC2)cc1 726561563 DZPOHVGBDBFGPF-FQEVSTJZSA-N 463.625 3.085 10 10 JGCE CC(=O)N1CCC[C@H](Cn2c(N(C)Cc3ccc(N4CCOCC4)cc3)nnc2C(C)(C)C)C1 1722768535 SWRZTTQNZBSPNI-QFIPXVFZSA-N 468.646 3.307 10 10 JGCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864013387 WPPJHTORECCNLO-OAQYLSRUSA-N 478.524 3.407 10 10 JGCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2 1865030796 RFHWACMGUSZKQZ-JOCHJYFZSA-N 497.640 3.150 10 10 JGCE CCOC(=O)c1c(NC(=O)[C@H](N)CC(=O)OC)sc(C)c1-c1ccc(Br)cc1 1865965648 IAZGPLFXHAXQRY-CYBMUJFWSA-N 469.357 3.492 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cc(-c4ccncc4)[nH]n3)c3ccccc3)CC2)cc1 1868981051 ROCAEZRXHTUWMD-SANMLTNESA-N 496.571 3.300 10 10 JGCE COCCn1c(C(=O)N2CCC[C@@H](C)C2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873557592 TXLCTSQMPPUOCP-HXUWFJFHSA-N 492.624 3.285 10 10 JGCE CN(C[C@H]1CCN1C(=O)OC(C)(C)C)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200974051 ZCPORIUEFKQVMG-SJORKVTESA-N 479.574 3.001 10 10 JGCE Cc1c(C(=O)O)cccc1-n1c(C)cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1C 2294095119 KBBKLRWVHBMSDT-UHFFFAOYSA-N 487.468 3.496 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)C=Cc3ccc(F)cc3)CC2)cc1 2328574124 OKGLCAWXIFXBKV-JOCHJYFZSA-N 455.555 3.098 10 10 JGCE O=C1[C@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 59383072 WJHWBWAJIUWKAC-QHAWAJNXSA-N 468.421 3.290 10 10 JGCE CCNc1cc(N2CCC(CCC(=O)N3CCN(c4ccc(OC)cc4)CC3)CC2)ncn1 65274270 HSXXBMBPMIBIRC-UHFFFAOYSA-N 452.603 3.262 10 10 JGCE Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cccc4c3C(=O)[C@@H]3C=CC=C[C@@H]3C4=O)C2=O)cc1 101350827 AZMOJJDYAQZQGS-IQXDWNFHSA-N 453.454 3.311 10 10 JGCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCc1ccc2c(c1)OCO2 101771581 XVIBEVAJBUNABY-FYJGNVAPSA-N 464.503 3.355 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)Nc3ccc(OC[C@@H]4CCCO4)cc3)CC2)cc1 743298605 AGJUWCZSGAMHHZ-DEOSSOPVSA-N 454.571 3.197 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CCCN(c4ncccc4C(F)(F)F)C3)cc2)CC1 857494483 PEXUBKSPHTUTDL-FQEVSTJZSA-N 489.542 3.302 10 10 JGCE C#CCSCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1705659455 WQWIVPDONXEEAF-UHFFFAOYSA-N 462.623 3.488 10 10 JGCE O=C(O)[C@@H](Cc1cnc[nH]1)N1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S 1858587123 OBNJXGZLECBDLM-NASADATOSA-N 456.318 3.208 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@@H]3CCCN(Cc4ccccc4F)C3)CC2)cc1 1861993740 NRRUNFVYQRMACS-JOCHJYFZSA-N 496.627 3.290 10 10 JGCE CCC[C@H](NC(=O)COc1ccccc1OCC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862175675 CIBIJYYJQYAWCS-QFIPXVFZSA-N 469.582 3.106 10 10 JGCE CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862287115 HHUXZCFKAOBRLP-OAQYLSRUSA-N 454.527 3.159 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)c3ccccn3)CC2)cc1 1862291017 GAMKFYWWLKPVKA-RUZDIDTESA-N 490.629 3.471 10 10 JGCE CC(C)[C@H](C(=O)N[C@H](c1ccc(N(C)C)cc1)c1nccn1C)N1C(=O)c2ccccc2C1=O 1865901351 AGPBOFJMTJGZJX-FGZHOGPDSA-N 459.550 3.013 10 10 JGCE CC(C)[C@H](C(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)cc1 1866969348 PJAUQILADYUGBI-GOTSBHOMSA-N 488.515 3.457 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCCCCCCO)nc(Nc4ccc(F)cc4)[nH]3)CC2)cc1 1871516741 HQLCVCVZPZMNIV-UHFFFAOYSA-N 495.603 3.476 10 10 JGCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3ccc5nc[nH]c5c3)n4C)CC2)cc1 1873650840 YIYWRFJNORCVOV-UHFFFAOYSA-N 482.548 3.432 10 10 JGCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OC(=O)c4cccc(C)c4)cc3)C(=O)N=C2S1 2297346295 SLHSFVBXJYUPSO-UHFFFAOYSA-N 482.543 3.226 10 10 JGCE COC(=O)c1cccc(-c2ccc(/C=C3/C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C)o2)c1 100278512 SXTCWAHGVQZRGL-DEDYPNTBSA-N 465.487 3.187 10 10 JGCE COc1ccc(/C=C2\SC(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)=NC2=O)cc1OC 103121053 VVHWCDNVWNSNAF-ZHZULCJRSA-N 454.508 3.405 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCN(C(=O)C45CC6CC(CC(C6)C4)C5)C3)CC2)cc1 1858387715 WNELMJRZEPMLLN-IARNNAAMSA-N 451.611 3.409 10 10 JGCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 1860384852 FUWKVROHEMYMAZ-QAQDUYKDSA-N 466.987 3.195 10 10 JGCE CCN(CC)CCNC(=O)c1ccc(NC(=O)CNCc2ccc(N(CC)CC)cc2)cc1 1860715860 CAYVSEJMBILFIK-UHFFFAOYSA-N 453.631 3.333 10 10 JGCE CCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1864012096 QZRBXIYJMPWSDG-FQEVSTJZSA-N 452.486 3.011 10 10 JGCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCc1cccs1)[C@@H]2c1ccc(O)c(O)c1 1864021264 OHKXHFJKIOPCJH-GOSISDBHSA-N 454.552 3.339 10 10 JGCE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865034757 DBGHGPICIYMHRK-QVKFZJNVSA-N 475.549 3.194 10 10 JGCE CCOc1ccc(CCC(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2C)cc1OC 1869969130 GCGTZFKALVOHIZ-UHFFFAOYSA-N 494.596 3.129 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCCCn4ccnc4)nc(Nc4ccc(C)cc4)[nH]3)CC2)cc1 1871476744 DEXABYUUHRHXSV-UHFFFAOYSA-N 499.623 3.379 10 10 JGCE COc1ccc(C=C2C(=O)NC(=O)N(C(C)(C)C)C2=O)cc1COc1ccc(NC(C)=O)cc1 2295934212 HEPXOMCAVRBEGE-UHFFFAOYSA-N 465.506 3.493 10 10 JGCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc(OC)c1OC 2296764717 BXNZCJJHEYRUFA-UHFFFAOYSA-N 475.504 3.167 10 10 JGCE Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccc(N(C)C)cc4)C3)c2)no1 21718065 ZZXYSJMPJCHGQB-OAQYLSRUSA-N 497.621 3.137 10 10 JGCE CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)C(=N)N21 96459670 GCXGMBUREAPAEB-HSJXSQSUSA-N 458.496 3.026 10 10 JGCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/NCCc1c[nH]c2ccccc12 103890333 ZRLVXELLJVASOQ-SFQUDFHCSA-N 453.296 3.229 10 10 JGCE COc1ccc(N2CCN(C(=O)C[S@@](=O)Cc3ccc(Br)s3)CC2)cc1 729873546 VVOAQUPLISWOSP-SANMLTNESA-N 457.415 3.117 10 10 JGCE CC(=O)N1CCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C(C)(C)C1 1520714668 VBKNFTQRJOTONK-FOWTUZBSSA-N 451.639 3.199 10 10 JGCE CC(C)(NC(=O)c1n[nH]c2c1CCCC2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866851514 JLTYWYYTUYAFOS-UHFFFAOYSA-N 456.502 3.211 10 10 JGCE COCC(=O)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nn1-c1ccc(Cl)c(Cl)c1 1869969538 PULIDDQCMVVZCG-UHFFFAOYSA-N 491.379 3.494 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N(CCOC(C)C)C2=O)cc1 1873166776 YNUKTUUNICOMFZ-QFIPXVFZSA-N 451.567 3.368 10 10 JGCE COC(=O)c1ccccc1N1C[C@@H](C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)CC1=O 1873765708 UUPYDQSWXANGNF-ZDUSSCGKSA-N 456.520 3.192 10 10 JGCE O=C1N=C(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)SC1=Cc1cccc([N+](=O)[O-])c1 2297576272 CSVBRGXWZWYVSX-UHFFFAOYSA-N 492.966 3.225 10 10 JGCE COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1 11085639 OISSXNLXKGYDGY-SFHVURJKSA-N 455.580 3.128 10 10 JGCE C[C@H]1CCCN(S(=O)(=O)c2cccc(C(=O)CNC[C@@H](c3ccc(N(C)C)cc3)N(C)C)c2)C1 257636889 MZTFHWMIHZDIET-CPJSRVTESA-N 486.682 3.248 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)Nc3ccc(C)c(C(=O)NC(C)C)c3)CC2)cc1 731281279 DSTAEXGWMQQGKD-UHFFFAOYSA-N 453.587 3.086 10 10 JGCE CC[C@](C)(NC(=O)/C=C/c1ccc2c(c1)OCCO2)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862150963 MVTNYYLIMFCQBG-WVUPHUCASA-N 479.577 3.113 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)COc3ccc(C)c(C)c3)CC2)cc1 1862194166 KWQPMCCBKPPBRF-DEOSSOPVSA-N 485.650 3.278 10 10 JGCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCOC(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008020 AAQXMOHRKSVLBH-JOCHJYFZSA-N 478.549 3.136 10 10 JGCE CCCCn1c(N)c(N(C)C(=O)C=Cc2c(C)nn(-c3ccc(F)cc3)c2Cl)c(O)nc1=O 2040438422 HOZBNDLENRFVJK-UHFFFAOYSA-N 474.924 3.294 10 10 JGCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OC 2294093726 ITTFHKUHKZJXBN-UHFFFAOYSA-N 489.278 3.252 10 10 JGCE Cc1ccc2nc(NC[C@H]3CCCO3)c(C=C3SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 2314414924 QYAONWZAEFHSQP-OAHLLOKOSA-N 458.609 3.451 10 10 JGCE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(O)c(O)cc2C1 2341195748 JBNYJDLNXVSADX-KSFYIVLOSA-N 456.539 3.481 10 10 JGCE CCCCC1=NN2C(=N)/C(=C\c3cc(Cl)c(OS(C)(=O)=O)c(OC)c3)C(=O)N=C2S1 33424276 SCAXYSWSDIWKPG-VOHCISGHSA-N 470.960 3.496 10 10 JGCE CCCC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1cc(Cl)c(OCC(N)=O)c(OC)c1 101571687 RSKIRGHJEPCZFJ-SXGWCWSVSA-N 471.897 3.497 10 10 JGCE C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@H]3Cc4ccccc4S3)cc2F)C[C@@H](C)O1 918933237 BTVKYTSCMNUKOV-XCGNWRKASA-N 458.555 3.316 10 10 JGCE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864009968 HBCCYPWHZUPBCW-FQEVSTJZSA-N 498.967 3.347 10 10 JGCE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864016908 ACSOSOLSUJJNQL-NRFANRHFSA-N 478.549 3.082 10 10 JGCE CN(C)CCCN1C(=O)c2ccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2C1=O 1868164988 GGIPAIQBWAPIIY-UHFFFAOYSA-N 481.508 3.262 10 10 JGCE CC(=O)NCCn1cc(OCC(=O)NC(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870946752 WVAFMANGQXZBRK-UHFFFAOYSA-N 491.592 3.244 10 10 JGCE CC(=O)NCCN1C(=O)C(NCc2ccc(C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166534 RLLBQCZRXKNLRP-UHFFFAOYSA-N 470.573 3.408 10 10 JGCE CCOC(=O)c1c(-n2c(C)cc(C=C3C(=O)NC(=S)N(C)C3=O)c2C)sc2c1CCCC2 2294199269 KLJSOFSABVNDIP-UHFFFAOYSA-N 471.604 3.468 10 10 JGCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C)C3=O)c(NCc3ccc4c(c3)OCO4)nc12 2296713527 GZDRTZOTZCYWRH-UHFFFAOYSA-N 466.544 3.175 10 10 JGCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(N2CCOCC2)c(Cl)c1 2296938617 AMBBGASHZYWFSU-UHFFFAOYSA-N 461.305 3.409 10 10 JGCE CCCc1nn2c(=O)cc(COc3ccc(C=C4C(=O)NN(c5ccccc5)C4=O)cc3)nc2s1 2297350744 LOLDKOWNBDOOJW-UHFFFAOYSA-N 487.541 3.144 10 10 JGCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cc(I)c(O)cc1O 2313510255 DYTFCRPTEFHBNP-UHFFFAOYSA-N 484.633 3.022 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)[C@@H]3CCCN(C(=O)c4cc(C)cc(C)c4)C3)CC2)cc1 742919354 GFMXXGQJQNJQEC-HSZRJFAPSA-N 478.637 3.103 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc(NC(=O)OC(C)(C)C)n3)cc2)CC1 1625193110 OFSOCDLKQIVLOB-UHFFFAOYSA-N 453.543 3.027 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)NCc4ccc(F)cc4)c4ccccn34)CC2)cc1 1858224189 OSIMGUJYZXYGBQ-UHFFFAOYSA-N 487.535 3.374 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cc(N4CCc5cc(OC)c(OC)cc5C4)ncn3)CC2)cc1 1858252646 DQDZNXDVBXBPET-UHFFFAOYSA-N 489.576 3.028 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1 1861958583 MQNBHQMFKMKDDA-JNKLARPZSA-N 498.605 3.203 10 10 JGCE CC(C)[C@@H](C(=O)N[C@H](c1ccc(N(C)C)cc1)c1nccn1C)N1C(=O)c2ccccc2C1=O 1865901353 AGPBOFJMTJGZJX-YADHBBJMSA-N 459.550 3.013 10 10 JGCE CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)cc1 731406473 MFSQOPXLUBQXKW-JOCHJYFZSA-N 487.622 3.083 10 10 JGCE CCOC(=O)c1ccnc(NC(=O)CCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 1858762229 IPOYGUNKKXLLJI-UHFFFAOYSA-N 471.469 3.391 10 10 JGCE COC(=O)c1cccc(NC(=O)CCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 1858762371 PSJWSXVLWBALSG-UHFFFAOYSA-N 457.442 3.001 10 10 JGCE CCOc1ccc(/C=C/C(=O)N[C@H](CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1OC 1862160994 QTXWUKILTUXQEE-QKIKOGAMSA-N 481.593 3.359 10 10 JGCE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865026931 TWPKJNMWDQRVOB-QHCPKHFHSA-N 483.528 3.340 10 10 JGCE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)C[C@@H](C)C1)=C(N)O2 1865027395 XMVFZPWFESTFMR-HLFMIMNKSA-N 475.549 3.186 10 10 JGCE CCN1CCc2c(sc(NC(=O)CCN3C(=O)CSC3=S)c2C(=O)OC(C)(C)C)C1 1865768301 PDIUHXNZNJORFK-UHFFFAOYSA-N 469.654 3.270 10 10 JGCE CCOCCCN=c1nc(Nc2ccc(F)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871515101 JLGZHGMRHQFKOW-UHFFFAOYSA-N 481.576 3.350 10 10 JGCE CCOC(=O)N1CCC(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC)C2=O)CC1 1873162257 NASYMXBPYMHBNU-UHFFFAOYSA-N 494.592 3.031 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2200950973 GBFUXSRMSHPMPR-IRXDYDNUSA-N 479.574 3.049 10 10 JGCE COc1cccc(CNC2CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C2)c1O 2259379150 FFJWELIIJFDVBR-UHFFFAOYSA-N 451.564 3.347 10 10 JGCE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(N4CCOCC4)o3)C2=O)c1 2294093775 NYIISRPAHNPUTM-UHFFFAOYSA-N 474.311 3.162 10 10 JGCE COc1ccc(-c2ccc(C=C3C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C)o2)c([N+](=O)[O-])c1 2297302774 JHONHRZCUKNGDY-UHFFFAOYSA-N 482.474 3.317 10 10 JGCE O=C(CCN1C(=O)C(=Cc2cccs2)SC1=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2297679924 NXLKSHPSVGTPRB-CABCVRRESA-N 471.629 3.147 10 10 JGCE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCC(=O)O 2313559539 ZPXLWRVMILMQHL-UHFFFAOYSA-N 478.885 3.173 10 10 JGCE O=C(O)CCOc1cccc(/C=C2\SC(Nc3cc(C(=O)O)cc(C(=O)O)c3)=NC2=O)c1 16928495 FVUNLNCJHPDELH-APSNUPSMSA-N 456.432 3.019 10 10 JGCE CCCCCN1C(=O)/C(=C/c2c(N3CCOCC3)nc3ccc(C)cn3c2=O)SC1=S 33467423 IQHZSRMEUMFHAI-LGMDPLHJSA-N 458.609 3.231 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)C3(c4cccc(Cl)c4)CCOCC3)CC2)cc1 742916127 CVOYNVUTBRWYRI-UHFFFAOYSA-N 458.002 3.335 10 10 JGCE COc1ccc(N2CCN(C(=O)C3CCN(c4nc(O)c5cc(C)ccc5n4)CC3)CC2)cc1 1858549272 SPOGNUQNYWYMNW-UHFFFAOYSA-N 461.566 3.218 10 10 JGCE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864020407 YGOYEMBHQWEHHZ-SFHVURJKSA-N 454.914 3.058 10 10 JGCE COC(=O)c1ccc(C(=O)NC[C@@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1 38598155 RFUGNGJIDZUESA-QHCPKHFHSA-N 463.534 3.368 10 10 JGCE CCOC(=O)C1=C(C)N=c2s/c(=C\C=C\c3ccco3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 59447105 WTKNFDGISGJXMU-WCNTUZKWSA-N 463.559 3.122 10 10 JGCE CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)C(=N)N21 96459667 VPGCOVIZOKJMPQ-QEEMYTIHSA-N 481.534 3.450 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc(Br)cc3)CC2)cc1 1862040829 QZLYYFHZCFNXRT-NRFANRHFSA-N 472.383 3.411 10 10 JGCE CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864008072 BAOYADBEBIDZCP-JOCHJYFZSA-N 478.549 3.138 10 10 JGCE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864011711 KHFKSKTYRFUUOM-HXUWFJFHSA-N 452.486 3.009 10 10 JGCE CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1868167584 PBTUVAIGRPJNNH-UHFFFAOYSA-N 476.510 3.223 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccnc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873164400 ZYJSAIFNYABOKO-UHFFFAOYSA-N 499.615 3.081 10 10 JGCE C[C@@H](Oc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1)C(=O)O 2314928860 CTIAQGGZYIILIK-LLVKDONJSA-N 498.991 3.287 10 10 JGCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c(N3CCOCC3)nc12 33803767 ABXMJIAOVGSGSL-UYRXBGFRSA-N 496.589 3.380 10 10 JGCE COC(=O)c1ccc(Oc2coc3c(CN4CCC[C@H](C(=O)O)C4)c(O)ccc3c2=O)cc1 94993361 BOGPWBLUTKQZLG-HNNXBMFYSA-N 453.447 3.374 10 10 JGCE Nc1c(N(Cc2ccccc2)C(=O)/C=C\c2ccccc2[N+](=O)[O-])c(=O)[nH]c(=O)n1Cc1ccccc1 229810715 MBXLFOMFJSYZOI-NXVVXOECSA-N 497.511 3.322 10 10 JGCE C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1)C(=O)O 586622882 LZAGUKLQHCJRHA-CYBMUJFWSA-N 457.442 3.309 10 10 JGCE CCN(CC)c1ccc(CNCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 1860716037 NBHJQJPQMZNJPC-UHFFFAOYSA-N 467.595 3.457 10 10 JGCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2cccnc2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864007392 LVYXJDHZJBRBQU-HSZRJFAPSA-N 499.527 3.007 10 10 JGCE CCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CCC)[C@H]1c1ccc(O)c(O)c1 1864023245 WIIMOWWLDBKOQR-CQSZACIVSA-N 454.449 3.334 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)C[C@@H]3CCCCO3)CC2)cc1 1869044118 NXFPZDKJHQTEJK-LOSJGSFVSA-N 465.594 3.031 10 10 JGCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN[C@@H](c3ccc(F)cc3)C2=O)n1 1869135947 VIGOCGQTBIISTH-SANMLTNESA-N 490.583 3.191 10 10 JGCE CCOCCCN=c1nc(Nc2ccc(OC)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871562209 TWNBIRUJENTEKM-UHFFFAOYSA-N 493.612 3.219 10 10 JGCE CCCN=c1nc(Nc2ccc(N(C)C)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871692113 BCUVOCBTAHOBJY-UHFFFAOYSA-N 462.602 3.260 10 10 JGCE CN(C(=O)C1=C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(CNC(=O)OC(C)(C)C)cc1 2136295461 ZONHNHJNBOMGHC-MOPGFXCFSA-N 461.559 3.258 10 10 JGCE Cc1cccc(C)c1NC(=O)CN1C(=O)/C(=C2/SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2533761 FNXMESCNNDLUFG-XUTLUUPISA-N 495.582 3.335 10 10 JGCE COC(=O)c1ccccc1NC1=NC(=O)/C(=C\c2ccc(OCCC(=O)O)c(OC)c2)S1 16912319 OSIINMQHYANSKM-LDADJPATSA-N 456.476 3.418 10 10 JGCE COCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(F)cc2)C1=O 33803850 XIPQFTJWYQQNAG-ATVHPVEESA-N 470.551 3.293 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)c3cc(C(=O)N4CCC(C)CC4)cs3)CC2)cc1 35405301 XBOQWJVSRFIJLP-UHFFFAOYSA-N 463.625 3.140 10 10 JGCE CCn1c(N2CCCC2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 39989654 PXQLEWWGGWKFHN-JQFNYASXSA-N 458.609 3.029 10 10 JGCE N=[N+]=CC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 642887439 DQBSMKYUAMEYBZ-DNQXCXABSA-O 471.537 3.131 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cc(=NCCc4c[nH]c5ccccc45)[nH]cn3)CC2)cc1 1858247829 YHFDIJYICXBHKL-UHFFFAOYSA-N 456.550 3.005 10 10 JGCE CCOC(=O)c1c(NC(=O)C(=O)N2CCC[C@@H]2C(=O)O)sc(C)c1-c1ccc(OCC)cc1 1860762385 FADQBYGQKLIVCQ-MRXNPFEDSA-N 474.535 3.313 10 10 JGCE Cc1ccccc1NC(=O)[C@H](C)N1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860827113 SKEQCDOVLAXWRH-SXZOAGKDSA-N 495.582 3.415 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)CCCOc3ccccc3C)CC2)cc1 1862228448 WUGJYKHQULOGGK-UHFFFAOYSA-N 453.583 3.406 10 10 JGCE COc1ccc(N2CCN(c3cc(N4CCC(O)CC4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1867991910 HUOPOPRKIALGLX-UHFFFAOYSA-N 475.593 3.449 10 10 JGCE O=C(CNC(=O)[C@H]1CCCN1Cc1ccccc1F)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868146551 HGTMPVUZFGLCKV-HSZRJFAPSA-N 485.515 3.320 10 10 JGCE CCC[C@H](NC(=O)CCNc1ccccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868797141 YEKRHGPLFFPAFZ-QHCPKHFHSA-N 468.598 3.140 10 10 JGCE COc1ccc(N2CCN(Cc3ccc(C(=O)NC4CCC5(CC4)OCCO5)cc3)CC2)cc1 1872884334 RSDIDXVFFWYDPV-UHFFFAOYSA-N 465.594 3.433 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cc4c(N5C[C@@H](C)C[C@@H](C)C5)ncnc4n3C)CC2)cc1 1873543312 KWECJAPGOAWWHT-KDURUIRLSA-N 462.598 3.422 10 10 JGCE COc1ccc(N2CCN(C(=O)C3CCN(c4ccc(Br)cn4)CC3)CC2)cc1 1890336507 FMHYJCZHRXZDSX-UHFFFAOYSA-N 459.388 3.418 10 10 JGCE CCn1c(=O)c2cc(S(=O)(=O)Nc3nc(-c4ccc(F)cc4F)cs3)ccc2n(CC)c1=O 1892223364 DYFCQFPRKRMBFZ-UHFFFAOYSA-N 492.529 3.406 10 10 JGCE Cc1cccc(OCCCOc2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c1 2297345816 FQPRCAZVDFLGQO-UHFFFAOYSA-N 498.586 3.464 10 10 JGCE C[C@@H](C(=O)NCCCC(=O)O)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 15048284 LTGUMERXKQHPCU-AVMBBCFPSA-N 457.371 3.020 10 10 JGCE COc1ccc(N2CCN(C(=O)CCc3nnc4c5cc(-c6ccccc6)nn5ccn34)CC2)cc1 33262347 KVLSELAWOUUWGW-UHFFFAOYSA-N 481.560 3.334 10 10 JGCE COc1ccc(OC)c([C@@H]2CC(c3cccn3C)=NN2C(=O)CN(C)C(=O)NC(C)(C)C)c1 35964015 URXKZHSFGNLBLL-FQEVSTJZSA-N 455.559 3.160 10 10 JGCE CC[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 169864303 KJTVMCHHLDSTKK-LJQANCHMSA-N 466.490 3.297 10 10 JGCE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865035711 ZRTWICQHPYSMEY-QVKFZJNVSA-N 475.549 3.337 10 10 JGCE COc1ccc(N2CCN(c3nc(=NC[C@@H]4CCCO4)[nH]c(=Nc4cccc(Cl)c4)[nH]3)CC2)cc1 1871646603 LFBLNCWCMZAMPY-QFIPXVFZSA-N 496.015 3.039 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cc(-c4cc(OC)c(OC)c(OC)c4)on3)CC2)cc1 1891705158 RWGVPHDJAPMAOH-UHFFFAOYSA-N 453.495 3.338 10 10 JGCE CC[C@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3cccc(O)c3)C2=O)cc1)C(=O)O 2314927093 ZGCUDOMMEVGRAP-INIZCTEOSA-N 458.517 3.180 10 10 JGCE COCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccccc3C)c3ccccc32)SC1=S 2533297 YSKOFZYICHXANX-FMQUCBEESA-N 467.572 3.198 10 10 JGCE O=C(O)COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)c1 16909616 KYQFSXHUOCGRAC-OQLLNIDSSA-N 493.360 3.459 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)C(=N)N21 96460322 GNLPRPFBZDUMSJ-ACUDIFQKSA-N 454.533 3.277 10 10 JGCE O=C1N[C@H](c2cc(I)cc(I)c2O)[C@H](C2CC2)O1 575258962 ANVIPYFPGDMTIW-KOLCDFICSA-N 471.032 3.161 10 10 JGCE COc1ccc(N2CCN(c3ccc(NC(=O)C4CCN(C(=O)C(F)(F)F)CC4)cn3)CC2)cc1 1858431079 UKZUZNHEZSLRPW-UHFFFAOYSA-N 491.514 3.156 10 10 JGCE CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)NCCc2ccc(O)c(O)c2)cn3C2CC2)CC1 1860353562 BCBMHHRBQXLLEU-UHFFFAOYSA-N 494.567 3.001 10 10 JGCE CCN1C(=O)c2cccc(OCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c2C1=O 1865836586 UZPZJYZMJGCUCU-UHFFFAOYSA-N 454.438 3.095 10 10 JGCE CCN(CC)CCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CC 1875201670 VSKWBFSEMWUWJB-UHFFFAOYSA-N 479.629 3.176 10 10 JGCE Cc1ccc(N2C(=O)C(=Cc3cc(Br)c(N4CCOCC4)o3)C(=O)NC2=S)c(C)c1 2297336429 AAVBPWDVBYWZHI-UHFFFAOYSA-N 490.379 3.327 10 10 JGCE COc1cc(C=C2SC(=S)N(CCCC(=O)NCCCCCC(=O)O)C2=O)cc(OC)c1O 2314831681 PUZZVJPALWMGRN-UHFFFAOYSA-N 496.607 3.152 10 10 JGCE C[C@H](C(=O)Nc1ccc(F)cc1)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326941547 LWUQTCCEOCSBSG-GFCCVEGCSA-N 499.545 3.246 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccc(C)cc4)cc3)C(=N)N21 20206459 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CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4ccccc4)cc3)C(=N)N21 2297345405 TXQINTZXVNRRLN-UHFFFAOYSA-N 484.559 3.156 10 10 JGCE O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1ccccc1OS(=O)(=O)c1ccccc1 2297578759 HHYKUPZGPDUILC-UHFFFAOYSA-N 493.453 3.029 10 10 JGCE CC[C@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccoc3C)C2=O)cc1OC)C(=O)O 2314932955 QOPAJURUSLFWMJ-AWEZNQCLSA-N 476.532 3.385 10 10 JGCE CCCN1C(=O)/C(=C\c2c(NCCCn3ccnc3)nc3c(C)cccn3c2=O)SC1=S 102436994 GOZKDJNQBQDVAN-GHRIWEEISA-N 468.608 3.313 10 10 JGCE C[C@@H]1CCCN(S(=O)(=O)c2cccc(C(=O)CNC[C@H](c3ccc(N(C)C)cc3)N(C)C)c2)C1 257636888 MZTFHWMIHZDIET-CJFMBICVSA-N 486.682 3.248 10 10 JGCE CCCC[C@H](NC(=O)c1cc(-c2cccnc2)[nH]n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868978355 DIQXQBCPTIHEJA-QFIPXVFZSA-N 476.581 3.118 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4C)cn3CCCO)CC2)cc1 1870627964 NBIVPEZRIPVABQ-UHFFFAOYSA-N 477.605 3.449 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCCCOC(C)C)[nH]c(=Nc4cccc(C)c4)[nH]3)CC2)cc1 1871650748 JMLCGWXYNXAUKV-UHFFFAOYSA-N 491.640 3.330 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CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1 1864015431 RCCPPFDJEGJETJ-MRXNPFEDSA-N 490.438 3.142 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(O)c(O)c1 1864018759 CDDVVENTCMCUIR-SFHVURJKSA-N 499.365 3.439 10 10 JGCE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865034758 DBGHGPICIYMHRK-VFNWGFHPSA-N 475.549 3.194 10 10 JGCE CC(=O)Nc1cccc(C(=O)N[C@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867636810 RILAMWIHWLCSPI-KBMIEXCESA-N 479.625 3.173 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3cc(C)n(-c4ccccc4)n3)CC2)cc1 1868761165 IJYXLQFNFRZUSJ-UHFFFAOYSA-N 461.566 3.047 10 10 JGCE CC[C@](C)(NC(=O)[C@@H]1CCCN1Cc1ccccc1F)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868821785 PDCLFRGKBFERHO-LSYYVWMOSA-N 496.627 3.432 10 10 JGCE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CCN(C)CC2)C1=O 1873169875 GXGPWJHBWDXRLR-UHFFFAOYSA-N 464.610 3.284 10 10 JGCE CC(=O)Nc1cccc(C(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)c1 10674432 PBMZZGNLZYLAHV-VXLYETTFSA-N 469.544 3.005 10 10 JGCE COc1ccc(N2CCN(c3ncnc4c3cnn4CCNC(=O)CCCc3ccccc3)CC2)cc1 38483575 SMOVIAMWVPPDRY-UHFFFAOYSA-N 499.619 3.301 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)N[C@H](c3ccc(F)cc3)[C@@H]3CCCO3)CC2)cc1 742927940 AICBKZFJCAICSC-BJKOFHAPSA-N 456.562 3.176 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)NCCc3ccc(Br)s3)CC2)cc1 742947318 AVLJDIIQZOBJGV-UHFFFAOYSA-N 467.433 3.183 10 10 JGCE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1705792182 ORNXYBLIJKDNME-GOSISDBHSA-N 491.633 3.257 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)CCCOc3ccc(C)cc3)CC2)cc1 1862214609 MYDLKWBUXBZYGU-UHFFFAOYSA-N 453.583 3.406 10 10 JGCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2ccco2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864007500 OFLUZDZFVHTOGS-JOCHJYFZSA-N 488.500 3.205 10 10 JGCE CCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1864010730 BCWHHNJBXUUTIC-HXUWFJFHSA-N 452.486 3.011 10 10 JGCE CN1CCN(c2ccc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2[N+](=O)[O-])CC1 1866056167 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OUUVTUFZUFJQAJ-YVLHZVERSA-N 470.528 3.076 10 10 JGCE Cc1cc(C(=O)NCCCN2CCCS2(=O)=O)c(C)n1-c1ccccc1Br 725758750 GWMGBDPTLXMXDP-UHFFFAOYSA-N 454.390 3.012 10 10 JGCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCC(=O)NC(C)C)[C@H](C)C1 1540977905 NNSFHWMXEIACGA-HXUWFJFHSA-N 491.640 3.324 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)Cc3ccccc3)CC2)cc1 1861961829 CKARBVRRAPOALJ-SANMLTNESA-N 457.574 3.314 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)COc3ccc(Cl)c(C)c3)CC2)cc1 1862191139 HFICZQICAMVOOB-HSZRJFAPSA-N 471.985 3.376 10 10 JGCE COc1cccc(C(=O)N[C@@H](C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867379924 XUAIAQLIVPLSLT-CYFREDJKSA-N 452.599 3.223 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N(Cc1ccccc1)C(C)(C)CO 2124090275 QZALGFUFRVVBSF-IBGZPJMESA-N 458.555 3.333 10 10 JGCE CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(N)cc2)CCN(C(=O)OC(C)(C)C)CC1 2227917132 ABVWNWZKEOLTIW-UHFFFAOYSA-N 462.591 3.128 10 10 JGCE CC[C@H](CO)Nc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(F)cc2)C1=O 2296720875 LAQYWVLWSCVCTM-MRXNPFEDSA-N 484.578 3.418 10 10 JGCE CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccc(F)cc4)cc3)C(=N)N21 2297345006 GCXGMBUREAPAEB-UHFFFAOYSA-N 458.496 3.026 10 10 JGCE COc1ccc(/C=C2\SC(=S)N([C@@H]3CC(=O)N(c4ccc(OC)cc4)C3=O)C2=O)cc1 15051188 BQSREZIIDDNLCO-LVSMMTLPSA-N 454.529 3.237 10 10 JGCE COc1cc(/C=C2/N=C(c3ccccc3)N(c3ccc(S(=O)(=O)O)cc3)C2=O)ccc1O 15220294 KBGKVUJGHYTLDD-CPNJWEJPSA-N 450.472 3.482 10 10 JGCE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3c(F)cccc3F)c3ccco3)CC2)cc1 38619227 MPXZDDKPBYMLIG-NRFANRHFSA-N 477.533 3.408 10 10 JGCE COc1ccc(S(=O)(=O)NC(=S)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1OC 1858612412 VYSQQJUCVIXTOT-UHFFFAOYSA-N 482.539 3.155 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864012118 RPURITVKDYZANZ-IBGZPJMESA-N 454.914 3.135 10 10 JGCE C[C@H](O)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864014542 XUVJNNPAZFTZHK-AOMKIAJQSA-N 498.539 3.142 10 10 JGCE CCCCN(CCO)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2cccnc2)n1 1868004582 HMWYLSFDEYLDBN-UHFFFAOYSA-N 462.598 3.473 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)C[C@@H]3CC(=O)c4ccccc43)CC2)cc1 1869033794 SUPSSTCXPCQHFT-CYFREDJKSA-N 495.645 3.342 10 10 JGCE CCCn1cc(OCCCC(=O)OCC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870370301 TUFQYXVLMYIILF-UHFFFAOYSA-N 471.598 3.311 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCCc4cnc[nH]4)nc(Nc4ccc(C)c(C)c4)[nH]3)CC2)cc1 1871526135 GAJYZSRXNLCHRG-UHFFFAOYSA-N 499.623 3.367 10 10 JGCE CCc1ccc(OCCCOc2nonc2CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1872638733 GGWOINVVEGPBIM-UHFFFAOYSA-N 480.565 3.380 10 10 JGCE COc1ccc(CC2=NN3C(=N)C(=Cc4ccc5c(c4)OCO5)C(=O)N=C3S2)cc1OC 2296400376 YFIOUVYNTGPHKA-UHFFFAOYSA-N 450.476 3.294 10 10 JGCE CCc1ccc(-n2c(C)cc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2C)cc1 2297345000 FOECCIOKDSROIK-UHFFFAOYSA-N 455.565 3.278 10 10 JGCE O=C1C(=Cc2c(NCc3ccco3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1 2297736574 KKPXFBIRBBVHIA-OAHLLOKOSA-N 468.560 3.280 10 10 JGCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(N4CCCC4)o3)C2=O)cc1 2313545798 GLSPKKIXDYFONU-UHFFFAOYSA-N 460.284 3.317 10 10 JGCE COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 2313682539 FPLIEPQWZXFUOS-UHFFFAOYSA-N 483.452 3.051 10 10 JGCE CCOC(=O)CCCN1C(=O)C(=Cc2ccc(OCC(=O)N(CC)CC)cc2)SC1=S 2314759372 CPMNRWJIGROBDK-UHFFFAOYSA-N 464.609 3.478 10 10 JGCE CCc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)OC)c(OC)c3)C(O)=NC2=S)cc1 34201515 DHGMHVHSFNSNTI-BOPFTXTBSA-N 454.504 3.481 10 10 JGCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526310761 SUYASGZGJVWWEW-QFIPXVFZSA-N 482.514 3.201 10 10 JGCE COc1ccc(N2CCN(C(=O)CN=c3nc(O)c4cc(-c5ccccc5)ccc4[nH]3)CC2)cc1 1858523048 WSAVFRZXZBDGMQ-UHFFFAOYSA-N 469.545 3.194 10 10 JGCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2 1864012878 LJPPUVRTMASAOY-NRFANRHFSA-N 462.550 3.146 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)Cc3cc(-c4ccccc4)on3)C(C)C)CC2)cc1 1868808995 DESMXDHWZQLDBH-AREMUKBSSA-N 476.577 3.382 10 10 JGCE COc1ccc(C(=O)N=c2nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]n2-c2ccccc2)cc1 1869970881 ZSFYPUQKJBWXDZ-UHFFFAOYSA-N 484.560 3.285 10 10 JGCE CC[C@@H](C)N1C(=O)C(=Cc2c(N3CCN(CC)CC3)nc3c(C)cccn3c2=O)SC1=S 2053511782 ITUXBLXIVPAVIP-MRXNPFEDSA-N 471.652 3.145 10 10 JGCE CCN1C(=O)C(=Cc2cc(C)n(C[C@@H]3CCCO3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297509099 VUXBPMFJSVGRAJ-NRFANRHFSA-N 499.633 3.212 10 10 JGCE CCCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCC(=O)O)C1=O 2314399978 GLCQMRYLFNIWLI-UHFFFAOYSA-N 460.581 3.281 10 10 JGCE COc1ccc(N2CCN(CCNS(=O)(=O)c3cc(C)c(Cl)cc3Cl)CC2)cc1 38598333 DDBJEHQGYWUQOF-UHFFFAOYSA-N 458.411 3.411 10 10 JGCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@H](CN4CCCCCC4)C3)cc2)C1 728746640 FTOLLZDTHLHTKO-DHIUTWEWSA-N 455.647 3.186 10 10 JGCE CC(=O)N1CCCN(c2nnc(Cc3csc(C)n3)n2CCCSc2nccs2)CC1 1508223875 BMUUVHOYTRLHMO-UHFFFAOYSA-N 477.685 3.331 10 10 JGCE COCCOC(=O)[C@H](C)n1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860827259 VPMBGBREOJNBKA-QCUKBLKESA-N 476.576 3.458 10 10 JGCE CCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1865034296 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RWIUMWJMMZHZBY-UHFFFAOYSA-N 468.272 3.114 10 10 JGCE CC[C@@H](Oc1ccc(C=C2SC(=S)N([C@H](CCSC)C(=O)O)C2=O)cc1)C(=O)O 2314927437 FNITYGMILTXBII-ZIAGYGMSSA-N 455.579 3.336 10 10 JGCE COc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2ccc(-c3cccc(C(=O)O)c3C)o2)C1=O 33392607 AZLGVDSYYSAWHL-UNOMPAQXSA-N 475.457 3.493 10 10 JGCE CCN1C(=O)/C(=C/c2cn(CCOC)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 33592447 ZPVFYDFGSHTULK-XQNSMLJCSA-N 495.601 3.216 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3ccc4nc(C)[nH]c4c3)CC2)cc1 1862104431 HIPWJGQJKKRHMO-JOCHJYFZSA-N 481.622 3.080 10 10 JGCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1cccs1)[C@H]2c1ccc(O)c(O)c1 1864023528 ZWGLMWULUZLJJC-HNNXBMFYSA-N 494.495 3.448 10 10 JGCE CCN(CCO)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2cccc(OC)c2)n1 1867990723 UQBMTIFNWHOKED-UHFFFAOYSA-N 463.582 3.306 10 10 JGCE CC[C@H](NC(=O)C[C@H](c1ccccc1)c1nnc(C)o1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868888278 DRDDSEXHULUEPU-RPWUZVMVSA-N 491.592 3.152 10 10 JGCE CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N([C@@H]2CCCC[C@H]2C)C1=O 1873167176 VICJQHIPVFOMAN-UZUQRXQVSA-N 462.594 3.478 10 10 JGCE CC(C)(C)OC(=O)NCCNC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1873941217 BTKPEUSYGYBIKG-UHFFFAOYSA-N 487.560 3.215 10 10 JGCE COCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(C)cc2)C1=O 2296730178 DCGBPDFQLJVBTE-UHFFFAOYSA-N 466.588 3.463 10 10 JGCE O=C(O)COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 2297363385 MOPPNANBUKOPCZ-UHFFFAOYSA-N 472.453 3.395 10 10 JGCE CCCCN1C(=O)C(=Cc2c(N3C[C@H](C)O[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 2314399654 AXCXOYWGVNTPTI-GJZGRUSLSA-N 458.609 3.309 10 10 JGCE CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)NCc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCCN21 35445750 PYGXGRFJMCWAQE-DEOSSOPVSA-N 491.636 3.257 10 10 JGCE O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCN(CCc2ccccn2)CC1 38645408 QZABIYUQBLMUBI-MNDPQUGUSA-N 472.661 3.121 10 10 JGCE O=C(O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl 59678628 NXXUHRRQOFPJDJ-QPEQYQDCSA-N 479.670 3.232 10 10 JGCE CCn1c(=C2C(=O)N(c3ccccc3)N=C2C)sc(=C2N(C)c3ccccc3C2(C)C)c1=O 254738267 PQYLBVYMZLBINI-UHFFFAOYSA-N 458.587 3.039 10 10 JGCE Cc1cc(CCNC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c(C)n1-c1ccccc1 789918257 QRLNYPUNMVIECS-UHFFFAOYSA-N 490.633 3.233 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cc(=NCCc4ccc(Cl)cc4)[nH]cn3)CC2)cc1 1858248134 IKKGZZPKGOFMKC-UHFFFAOYSA-N 451.958 3.178 10 10 JGCE CCOc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)c1 1859006558 WJJZPMKSHRAVSP-UHFFFAOYSA-N 483.546 3.117 10 10 JGCE COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864010636 VGVMFKRQEXCVFO-HSZRJFAPSA-N 499.527 3.007 10 10 JGCE O=c1cc(CNc2ccc(Nc3ccccc3)cc2)n(CCN2CCOCC2)cc1OCCCO 1871263706 LSVXCDUFCUEIBC-UHFFFAOYSA-N 478.593 3.297 10 10 JGCE COC(=O)[C@@H](CC(C)C)NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 2068913553 IBLDDAYUQJEIED-RLWLMLJZSA-N 488.588 3.492 10 10 JGCE CC(C)(C)OC(=O)N1CCN(CCOc2ccc(N)cc2)CCN(C(=O)OC(C)(C)C)CC1 2227923756 XMUJGYNFKVRMDL-UHFFFAOYSA-N 464.607 3.437 10 10 JGCE O=C1C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 2296657785 TTWRZZPAKUKQGA-CYBMUJFWSA-N 450.519 3.243 10 10 JGCE COc1cc(C=C2C(=O)N(c3ccc(S(=O)(=O)O)cc3)N=C2C)cc(Br)c1O 2297592816 UGBTVECEZMILAV-UHFFFAOYSA-N 467.297 3.216 10 10 JGCE CC(=O)NCCc1c(C=C2C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)[nH]c2ccccc12 2297639010 QFMYNYBIAPWLCY-UHFFFAOYSA-N 460.559 3.295 10 10 JGCE COc1cc(/C=C2/SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)cc(OC)c1OC 35400912 SHJZBGWNHRNWNL-GZTJUZNOSA-N 480.589 3.116 10 10 JGCE O=C1[C@@H]2[C@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 104896103 XNJSGUASGXONHK-ACRUOGEOSA-N 486.411 3.429 10 10 JGCE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCC(C)CC2)cc1 1705884166 HZPLEKMEUYCKKB-JOCHJYFZSA-N 452.603 3.153 10 10 JGCE COc1cc(/C=C2/SC(=S)N([C@H](CCC(N)=O)C(=O)O)C2=O)ccc1OCc1ccccc1 1858592659 UAWTVQJIBWRLST-PUMYGXPMSA-N 486.571 3.194 10 10 JGCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3ccc4cc[nH]c4c3)cc2)cc1 1858960141 IRSYLLHERAAUIX-UHFFFAOYSA-N 464.503 3.157 10 10 JGCE CCC[C@@H](NC(=O)/C=C/c1ccc2c(c1)OCCO2)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862153234 NKADWKSQEFXHFI-ACMCKPEYSA-N 479.577 3.113 10 10 JGCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCCCCc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864009683 KHKQPPBQLMUSGE-QFIPXVFZSA-N 462.550 3.456 10 10 JGCE CCOC(=O)c1c(NC(=O)CCN2C(=O)CSC2=S)sc(C(=O)OCC(C)C)c1C 1865768264 OODXHHGCHBMOCF-UHFFFAOYSA-N 472.610 3.235 10 10 JGCE Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 2313624587 WEYANAYUNSIKQI-UHFFFAOYSA-N 474.517 3.186 10 10 JGCE NC(=O)C[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 2314541800 QINROWMGGANMFY-GFCCVEGCSA-N 481.895 3.038 10 10 JGCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3C)C2=O)ccc1OCC(=O)O 2314931096 CEIKWSPDHBUDHT-UHFFFAOYSA-N 458.517 3.013 10 10 JGCE CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3s/c(=C\c4ccc(OC)cc4)c(=O)n32)cc1 20608657 FOTWPPKKRIDJSP-FVIVVMBBSA-N 491.613 3.263 10 10 JGCE CCCn1c(N2C[C@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 39990146 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COc1ccc(N2C(=O)/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C(=O)NC2=S)c(OC)c1 6396718 SZPGIFHLKISQAN-PDGQHHTCSA-N 478.486 3.234 10 10 JGCE CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(N4CCC(C(N)=O)CC4)=NC3=O)o2)cc1 34982751 KYOAKFQWSYGJCJ-UYRXBGFRSA-N 453.520 3.291 10 10 JGCE COc1ccc(Cc2nc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc(=O)[nH]2)cc1 170554857 PUMCXOXXPGBADK-UHFFFAOYSA-N 465.465 3.397 10 10 JGCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3cccc4c(Cl)ccnc34)cc2)CC1 1561468505 GBQNYPVPBZPVGU-UHFFFAOYSA-N 458.971 3.035 10 10 JGCE CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1864009366 GDSNVGOZWYPBKX-JOCHJYFZSA-N 496.539 3.028 10 10 JGCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864013647 FAHUKFYSOQOOIA-IBGZPJMESA-N 452.511 3.261 10 10 JGCE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2 1864017430 MFGORGZSGUESPL-PGRDOPGGSA-N 490.560 3.144 10 10 JGCE CN1CCC(NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)CC1 1873863674 CYDFKIDZSKATML-UHFFFAOYSA-N 455.562 3.175 10 10 JGCE CN(Cc1ccccc1)[C@H]1CCN(C(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)C1 2200973306 VHWUCGHJZWKRGG-SFTDATJTSA-N 469.582 3.267 10 10 JGCE CCOc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)cc1OC 2297468403 WMTGFTUSLWUTEV-UHFFFAOYSA-N 464.590 3.497 10 10 JGCE COc1cc(Br)c(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OC 2313559429 YIGKRYWPCSCYDE-UHFFFAOYSA-N 465.300 3.437 10 10 JGCE CN1CCCc2cc(CN3CCc4c(c(C(=O)N5CCOCC5)nn4Cc4ccccc4)C3)ccc21 14742188 VGAWABNJCWQEMX-UHFFFAOYSA-N 485.632 3.345 10 10 JGCE C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 15047589 NVIACMDINILCIZ-FFCYNSPCSA-N 482.008 3.216 10 10 JGCE COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OC(=O)C[C@H]1SC(=O)NC1=O 33724015 ARBHXSWHQHSVQF-NXIIHZOPSA-N 465.487 3.148 10 10 JGCE CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C/c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 101673497 NUJVRSZZQHABEQ-XQNSMLJCSA-N 494.544 3.422 10 10 JGCE COc1ccc(N2CCN(CCNCc3csc(-c4ccc5c(c4)OCO5)n3)CC2)cc1 728594848 FYZRIILKHRLNGY-UHFFFAOYSA-N 452.580 3.459 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)C3(Cc4ccc(F)cc4)CCOCC3)cc2)CC1 1616251909 LZZQYJPJLXIWMM-UHFFFAOYSA-N 453.558 3.150 10 10 JGCE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1705688946 WCWJGDXKEUPCEJ-SFHVURJKSA-N 462.392 3.164 10 10 JGCE Nc1ccc(N(CCc2c[nH]c3ccccc23)S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc1 1857992450 SPPYRCWAQVGCES-UHFFFAOYSA-N 488.569 3.425 10 10 JGCE CCc1cc(C(=O)N[C@H](CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1Cc1ccccc1 1861905593 SZSJKQSCHQLXRO-RUZDIDTESA-N 489.620 3.360 10 10 JGCE CC[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862005965 XSFIWWGBRDNYLB-BVAGGSTKSA-N 478.637 3.151 10 10 JGCE C[C@@H]1CCCC[C@H]1NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864015049 IQRIIEANXDZRMI-HCKVZZMMSA-N 466.460 3.240 10 10 JGCE C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874016632 HUTGWVJKRDYBEU-HOTGVXAUSA-N 499.498 3.097 10 10 JGCE COCCCN1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccccn3c2=O)SC1=S 2296716237 OUGQPSJGAFKNAQ-HOTGVXAUSA-N 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CCCc1nc2ccc(C(=O)N[C@@H](CC)C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2[nH]1 1862108897 HKYDTWFPMCSUJJ-NRFANRHFSA-N 463.582 3.381 10 10 JGCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC[C@@H]1CO)[C@H]2c1ccc(O)c(O)c1 1865031271 CYYOYNYFQZBHNJ-NQIIRXRSSA-N 490.560 3.049 10 10 JGCE Cc1cc(C(=O)N[C@H](C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)ccc1[N+](=O)[O-] 1867871119 JXUIHNNLEKECAD-DVECYGJZSA-N 481.597 3.431 10 10 JGCE CC[C@@H](NC(=O)CCCc1ccc(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868725535 BRBLXLBXTGPLPQ-HSZRJFAPSA-N 483.609 3.279 10 10 JGCE CC[C@@H](C)NC(=O)COc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870961643 JGSHVMSHQQCSOW-LJQANCHMSA-N 464.566 3.490 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nonc3OCCCOc3ccc(C)cc3)CC2)cc1 1872677273 SFLUNYYHTDOKFY-UHFFFAOYSA-N 452.511 3.197 10 10 JGCE CCn1c(C(=O)NCCCOC(C)C)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873571082 WTKDRROUAOSFSR-UHFFFAOYSA-N 480.613 3.331 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 1892114796 KSQFEGHFGGGMOB-OAQYLSRUSA-N 497.539 3.216 10 10 JGCE CC(C)(C)OC(=O)NCCN(CCCOc1ccc(N)cc1)CCNC(=O)OC(C)(C)C 2044681948 SBUWAQAQLIXFKF-UHFFFAOYSA-N 452.596 3.389 10 10 JGCE C[C@H]1CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(C3CCCC3)C2=O)C[C@H](C)O1 2314400519 OJQSCXWYECBZSW-GJZGRUSLSA-N 470.620 3.452 10 10 JGCE C[C@H](C(=O)OCc1ccccc1)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326944805 FRUOIBHVANGKCQ-CQSZACIVSA-N 496.566 3.211 10 10 JGCE CO[C@@H](CNC(=O)OC(C)(C)C)[C@@H](CN)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 2380170307 YVPUPVLVTXMGCK-RTWAWAEBSA-N 478.634 3.331 10 10 JGCE Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(/C=C3/SC(=S)N(C)C3=O)c(=O)n2c1 33330178 JYCRCEHTVNFVRL-XSFVSMFZSA-N 491.642 3.156 10 10 JGCE COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)NCc1ccc(N(C)C)cc1 64866706 DPJPTFUEZGGUAC-UHFFFAOYSA-N 457.552 3.205 10 10 JGCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCNC(=O)C(C)(C)C)CC1 1749845988 CSCGTFXCWLFLRI-UHFFFAOYSA-N 491.640 3.183 10 10 JGCE CC[C@](C)(NC(=O)COc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862244542 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Cc1ccc2nc(N3CCC(C)CC3)c(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c(=O)n2c1 35520388 HSTCBXVYAQSURN-SFQUDFHCSA-N 486.619 3.305 10 10 JGCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@@H]3C=CC[C@@H]32)ccc1OC(C)=O 226694307 PFIVCFVWHYGMQR-SWYRRKHMSA-N 497.617 3.383 10 10 JGCE CCc1cc(C(=O)N[C@@H](CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1Cc1ccccc1 1861905594 SZSJKQSCHQLXRO-VWLOTQADSA-N 489.620 3.360 10 10 JGCE COCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864008877 UHGHHBXCJAWDGJ-HXUWFJFHSA-N 484.940 3.093 10 10 JGCE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2 1864017710 SIMNLLVETMNMAQ-JOCHJYFZSA-N 492.576 3.128 10 10 JGCE COc1ccc(N2CCN(c3nc(=NC[C@@H](C)O)nc(Nc4ccc(Cl)c(C)c4)[nH]3)CC2)cc1 1871663914 SCMPLJUDYFWBDD-QGZVFWFLSA-N 484.004 3.127 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCN3CCOCC3)C(=O)N(Cc3ccccc3)C2=O)cc1 1873170096 OADSUORKBZYXQV-UHFFFAOYSA-N 484.600 3.296 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccco3)CC2)cc1 1874642528 HDKJWWSESZLOHB-DEOSSOPVSA-N 472.545 3.459 10 10 JGCE CC(C)(C)OC(=O)N1CC(O)(CN(CCCC(=O)Nc2ccc(N)cc2)Cc2ccccc2)C1 2163026856 OVFQRYZZFYMXMU-UHFFFAOYSA-N 468.598 3.472 10 10 JGCE O=C1NC(=S)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cccn1-c1ccc([N+](=O)[O-])cc1 2297362034 HHUBEINAWFHWOQ-UHFFFAOYSA-N 450.451 3.352 10 10 JGCE COc1cccc(C=C2SC(=S)N(CCNC(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)c1 2320656178 NZZZOONTYLCPOG-UHFFFAOYSA-N 488.587 3.352 10 10 JGCE CCn1c(N2CCC(C)CC2)c(/C=C2/SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 33470209 VLKBNZBYIGPPNX-LDADJPATSA-N 460.625 3.132 10 10 JGCE COc1ccc(OC)c([C@H]2CC(c3cccn3C)=NN2C(=O)CN(C)C(=O)NC(C)(C)C)c1 35964017 URXKZHSFGNLBLL-HXUWFJFHSA-N 455.559 3.160 10 10 JGCE COc1ccc(N2CCN(CC(=O)N3c4ccccc4S(=O)(=O)c4ccccc43)CC2)cc1 72470985 ODHMJPGTYNHYPN-UHFFFAOYSA-N 463.559 3.328 10 10 JGCE CCOc1ccc(Br)cc1/C=C1/C(=O)N(c2ccc(S(N)(=O)=O)cc2)N=C1C 103698409 LNRFGCIEMPUNDC-GZTJUZNOSA-N 464.341 3.301 10 10 JGCE CN1CCN(C(=O)c2ccc(NC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2)CC1 586707980 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CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864009990 HOYLBJIHTAUGSP-FQEVSTJZSA-N 498.967 3.347 10 10 JGCE CCn1nc(C)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccc(OC)cc1)[C@H]2c1ccc(O)c(O)c1 1864010993 XVTZCYYZHZQSGC-ASSNKEHSSA-N 464.522 3.203 10 10 JGCE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865029691 TUMBGYKLPFPGRP-QFIPXVFZSA-N 476.533 3.379 10 10 JGCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCCC[C@@H]1C)[C@@H]2c1ccc(O)c(O)c1 1865034543 YVAVVXKOHBAKHI-XHDPSFHLSA-N 466.460 3.429 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCc4ccc(C)cc4)[nH]c(=Nc4cccc(O)c4)[nH]3)CC2)cc1 1871714793 BHVVWHXBUCHMGH-UHFFFAOYSA-N 497.603 3.420 10 10 JGCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)NCc3nc4ccccc4[nH]3)cc1C2=O 1873911295 LBZUGHOGFSYYLS-UHFFFAOYSA-N 497.463 3.119 10 10 JGCE O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874180618 HOAMWUYLUJYOKQ-NRFANRHFSA-N 467.481 3.301 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3cccnc3)CC2)cc1 1874642477 FVEIRXXMAPFTIT-AREMUKBSSA-N 483.572 3.261 10 10 JGCE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 2123373033 PDHQQWQJTDCXLN-QRQCRPRQSA-N 490.512 3.137 10 10 JGCE COc1ccccc1NS(=O)(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 2297329720 UVZVSIQAWMULNM-UHFFFAOYSA-N 492.513 3.075 10 10 JGCE CCOCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(CCCOC)C1=O 2314414819 NMPAPOCTXJBYAP-UHFFFAOYSA-N 476.624 3.079 10 10 JGCE Cc1cccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)c1C 2326941539 JSLSDZIYVBTOPD-UHFFFAOYSA-N 495.582 3.335 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(OC)c3)C(=N)N21 20206603 NMQWRKJCLIKFIP-GJXXPDGXSA-N 484.559 3.286 10 10 JGCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OC 40939832 IUYJURCWJAJSRS-XSFVSMFZSA-N 499.614 3.489 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cc(N4CCN(c5cccc(Cl)c5)CC4)ncn3)CC2)cc1 1858251881 ITADOWHGJQBSIS-UHFFFAOYSA-N 493.011 3.428 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Cc3ccc(F)cc3)CC2)cc1 1862120148 GSMBTJQDDHWXNP-SANMLTNESA-N 491.563 3.159 10 10 JGCE CC(C)[C@@H](C(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)cc1 1866969350 PJAUQILADYUGBI-XZOQPEGZSA-N 488.515 3.457 10 10 JGCE COc1ccc(N2CCN(c3nc(NC(=O)c4cnc(C)cn4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869970880 ZQYVCZXYYCWLIH-UHFFFAOYSA-N 484.564 3.262 10 10 JGCE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc(OC)c1OC 2294094864 AVHUCFLYXMYETH-UHFFFAOYSA-N 461.268 3.141 10 10 JGCE Cc1cccc(OCCOc2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c1 2297345968 SASKCSVZXIIOPC-UHFFFAOYSA-N 484.559 3.074 10 10 JGCE COc1ccc(N2CCN(C(=O)CNc3cc(C(=O)NCC(F)(F)F)cc(F)c3C)CC2)cc1 110177783 FLCFDEOZAJTYOE-UHFFFAOYSA-N 482.478 3.196 10 10 JGCE Cc1cc(N(CCO)CCO)ccc1N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)C(F)(F)F 886010655 CPSFPTIFZXHAOZ-UHFFFAOYSA-N 476.433 3.403 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)N4CCC(C)CC4)n4ccccc34)CC2)cc1 1858223709 BKMPKGTVWUHDDD-UHFFFAOYSA-N 461.566 3.177 10 10 JGCE CC[C@@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861973172 XTCWUXSDYKCTBG-AREMUKBSSA-N 496.627 3.290 10 10 JGCE CCCc1nc2ccc(C(=O)N3CCC[C@@H]3C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2[nH]1 1862109646 ZTXYKSGHOVGTHB-XMMPIXPASA-N 475.593 3.477 10 10 JGCE COc1ccc(CC(=O)N[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)cc1 1862302693 HYVFZIYKIGZZDE-MHZLTWQESA-N 473.573 3.453 10 10 JGCE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864012187 UBXNTXMEEBBRNR-QFIPXVFZSA-N 496.539 3.026 10 10 JGCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC(C)CC1)[C@H]2c1ccc(O)c(O)c1 1865034040 NVLLHRAWTCNRNH-HNNXBMFYSA-N 466.460 3.286 10 10 JGCE CSc1ccc(C=C2SC(=O)N(CCNC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)C2=O)cc1 2040437184 LZLQTRLKFQIALK-VFNWGFHPSA-N 477.633 3.015 10 10 JGCE CC(C)S(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=N)N21 2297345701 TWKHLSWEIUPOQG-UHFFFAOYSA-N 473.492 3.255 10 10 JGCE C[C@H](NC(=O)CCCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)C(=O)O 2314831253 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CC(=O)N1CC[C@H](CN(C)c2nnc(CC(C)C)n2Cc2ccc(N3CCC(CO)CC3)cc2)C1 1301663165 INTARXOKHVGQNF-XMMPIXPASA-N 482.673 3.038 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(Br)cnc3C3CC3)cc2)CC1 1638586876 DBNLFUQCGUJNKN-UHFFFAOYSA-N 457.372 3.320 10 10 JGCE COc1ccc(N2CCN(c3nc(NC(=O)c4cc(Cl)ccc4OC)n(C)n3)CC2)cc1 1869969344 LTYJDYXCPPZHOX-UHFFFAOYSA-N 456.934 3.065 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3CCc3ccc(OC)c(OC)c3)CC2)cc1 1870553321 ONYALTPREOAQOL-UHFFFAOYSA-N 493.604 3.448 10 10 JGCE Cc1ccc(C)c(-n2c(C)cc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2C)c1 2297345374 QQOQLCJJYGGNNA-UHFFFAOYSA-N 455.565 3.332 10 10 JGCE CCc1nn2c(=O)cc(COc3ccc(C=C4C(=N)N5C=CSC5=NC4=O)cc3)nc2s1 2297350762 PODQLDYNCJWQBK-UHFFFAOYSA-N 464.532 3.069 10 10 JGCE COc1ccc([N+](=O)[O-])cc1NC=C1C(=O)N(CCc2ccccc2)C(=O)N(C(C)C)C1=O 2297454723 FTDVCOQSRIBPPQ-UHFFFAOYSA-N 452.467 3.341 10 10 JGCE Cc1ccc(N2C(=O)NC(=O)C(=CNc3cccc4c3C(=O)[C@@H]3C=CC=C[C@H]3C4=O)C2=O)cc1 2297511143 AZMOJJDYAQZQGS-IAGOWNOFSA-N 453.454 3.311 10 10 JGCE 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10 10 JGCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccccn1)[C@H]2c1ccc(O)c(O)c1 1864015706 DDIGNUVPJVYMNU-NRFANRHFSA-N 483.528 3.387 10 10 JGCE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc(OC)cc1)=C(N)O2 1864021890 RLHLIZDWYORBPO-LHSJRXKWSA-N 478.549 3.457 10 10 JGCE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865028193 RNASFTUIMBSDRU-QFIPXVFZSA-N 460.534 3.358 10 10 JGCE CCOC(=O)c1cnn(Cc2cccc(Br)c2O)c1I 2070368992 KWMOAFIRAUDMSY-UHFFFAOYSA-N 451.058 3.181 10 10 JGCE CN(C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2200964952 SKUVVMSZYJBIGQ-IRXDYDNUSA-N 479.574 3.001 10 10 JGCE COc1ccc2c(c1OC)C(=O)O[C@@H]2NN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S 2314600068 BEZWMXPPXIJOKT-SFHVURJKSA-N 472.500 3.008 10 10 JGCE CC[C@H](Oc1ccccc1C=C1SC(=S)N([C@H](CCSC)C(=O)O)C1=O)C(=O)O 2314927484 GIZIITARQXGKRJ-OLZOCXBDSA-N 455.579 3.336 10 10 JGCE Cc1nc2scc(C)n2c1C=C1SC(=S)N(CCc2ccc(S(N)(=O)=O)cc2)C1=O 2323840392 XIEDHSARUZAGCA-UHFFFAOYSA-N 478.646 3.104 10 10 JGCE COC(=O)c1c(OCc2ccccn2)cc(=O)n2c1CCN(Cc1ccc(N3CCCC3)cc1)CC2 20998094 MHVNTLKXEWCCMH-UHFFFAOYSA-N 488.588 3.267 10 10 JGCE COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 33932115 HAHRBZRIYDLWMY-ZZAWEDPDSA-N 494.519 3.377 10 10 JGCE CCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)O)C2=O)c2cc(Br)ccc21 40938383 SHUAJNAZHVFQDL-YPKPFQOOSA-N 455.355 3.252 10 10 JGCE CN(C)c1ccc([C@@H]2N[C@](Cc3ccccc3)(C(=O)O)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]23)cc1 43210608 UWDBRZVCTXSTJT-DELVEFKNSA-N 475.589 3.397 10 10 JGCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc(OC)c1O 1084289680 KXHPDQSIBNMIKL-QPEQYQDCSA-N 475.295 3.455 10 10 JGCE COc1ccc(N2CCN(C(=O)C3CCN(c4nc(O)c5cc(F)ccc5n4)CC3)CC2)cc1 1858548818 GDVPTVXLAPPWOS-UHFFFAOYSA-N 465.529 3.048 10 10 JGCE C[C@@H](C(=O)Nc1ccc(F)cc1)N1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860826758 LWUQTCCEOCSBSG-OUIWWDRTSA-N 499.545 3.246 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3cccs3)CC2)cc1 1862036259 ATKCIHYYVXIBQH-JOCHJYFZSA-N 465.575 3.152 10 10 JGCE O=C1c2ccccc2C(=O)c2c(NC(=O)c3c[nH]c4cc5c(cc4c3=O)OCCO5)cccc21 1866068410 SPEJSLHQYWWUIZ-UHFFFAOYSA-N 452.422 3.327 10 10 JGCE CC[C@@H](NC(=O)c1n[nH]c2c1CCCC2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866853695 QGKHEXUBJUAUME-GOSISDBHSA-N 456.502 3.211 10 10 JGCE COc1ccc(Nc2nc(=NCC(C)C)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871560372 NQIVOOJPRMPSGX-UHFFFAOYSA-N 463.586 3.449 10 10 JGCE C[C@H](c1ccccc1)N1C(=O)C(=Cc2c(NCCOCCO)nc3ccccn3c2=O)SC1=S 2040470337 UJZNFWZNNDMHAA-MRXNPFEDSA-N 496.614 3.078 10 10 JGCE O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCCN1CCOCC1 33622952 ZBNMVKMVYUMSFC-VLGSPTGOSA-N 467.682 3.348 10 10 JGCE Cc1ccc(S(=O)(=O)N2CCCN(C(=O)CN3CCCCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1 59074277 BSAWMNUOTDHFBW-SANMLTNESA-N 484.666 3.469 10 10 JGCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2ccccn2)[C@H]3c2ccc(O)c(O)c2)cc1 1864007475 NSCWELDBDWXBAO-QHCPKHFHSA-N 499.527 3.007 10 10 JGCE CC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 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CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864017262 IWBBPXLPFIZYDS-JOCHJYFZSA-N 483.528 3.252 10 10 JGCE CCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2C)[C@@H]1c1ccc(O)c(O)c1 1865034550 ZEDFUOWEZJSKSO-IBGZPJMESA-N 464.522 3.070 10 10 JGCE C[C@@H](NC(=O)c1cc(-c2ccco2)n(C)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867239106 CMIINQRZMAIOHJ-CQSZACIVSA-N 468.469 3.213 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4F)cn3CCCO)CC2)cc1 1870344804 PRGLVUYNVQCYAD-UHFFFAOYSA-N 481.568 3.280 10 10 JGCE COc1ccc(CN=c2nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]c(=Nc3ccccc3)[nH]2)cc1 1871600471 GXTBJKLGPXQFDF-UHFFFAOYSA-N 497.603 3.415 10 10 JGCE COc1ccc(CN2C(=O)N[C@H](CCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)C2=O)cc1 1874016240 DDLDRLZTRQIKPM-JOCHJYFZSA-N 497.507 3.310 10 10 JGCE Cc1ccc2nc(N3CCCCC3)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 2053515858 NFEYOISISMLBIF-MRXNPFEDSA-N 470.620 3.373 10 10 JGCE O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(CC(=O)N2CCCCC2)c2ccccc12 2293221781 GQQMDKFFPFYOSB-UHFFFAOYSA-N 470.529 3.316 10 10 JGCE COc1ccc(N2CCN(C(=O)C3CCN(C(=O)c4cc5sccc5n4C)CC3)CC2)cc1 9847849 JOCXNYSQAUZKQJ-UHFFFAOYSA-N 466.607 3.449 10 10 JGCE CCN(CC)S(=O)(=O)c1ccc(N/C=C2/C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)cc1 103250464 MUPSJOGBXWURCL-XMHGGMMESA-N 456.524 3.445 10 10 JGCE C[C@H](NC(=O)c1cccc(NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1)C(=O)O 586698074 DZXOUNLUGZDAHL-ZDUSSCGKSA-N 457.442 3.309 10 10 JGCE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1705805803 OQFJZKHYYKMKSB-FQEVSTJZSA-N 473.643 3.262 10 10 JGCE CCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864016939 AOSAYWLSFZBHNR-QFIPXVFZSA-N 492.576 3.392 10 10 JGCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2 1865030554 LXKJAQSMXSKLAW-JOCHJYFZSA-N 497.640 3.150 10 10 JGCE CCC[C@H](NC(=O)CCCc1ccc2c(c1)OCCO2)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868730428 JVJNPGMJOIBXTK-DEOSSOPVSA-N 495.620 3.423 10 10 JGCE COC(=O)c1ccc(N2C[C@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2=O)cc1 1874179257 VNGOAAPWDYOUHK-MRXNPFEDSA-N 468.465 3.240 10 10 JGCE O=C(CN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)Nc1cc(C(=O)O)ccc1C(=O)O 2314936510 YXEFUSQKAPBANG-UHFFFAOYSA-N 460.464 3.062 10 10 JGCE O=[N+]([O-])c1ccc(O)c([C@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@H]3C=CC[C@H]32)c1 14475848 VMPSWAYCILGTQK-JKSBSHDWSA-N 457.508 3.148 10 10 JGCE O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccncc2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 33808713 OLUSXCNISHXOPA-LPGQDOADSA-N 482.612 3.323 10 10 JGCE COc1cc2c3c(n(CCCn4ccnc4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2 34608773 GCILEJUNEYIABW-UHFFFAOYSA-N 459.458 3.246 10 10 JGCE CCCOC(=O)CCN1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S 40938186 IONUIFWDWNDVPF-YPKPFQOOSA-N 455.355 3.316 10 10 JGCE CC[C@H]1CCCCN1c1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O 238924304 RVOHPGJKAIYRBA-IRXDYDNUSA-N 532.713 3.160 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)CSc3ccc(Br)cc3)CC2)cc1 1318121541 BAHGIBYLIJESDM-UHFFFAOYSA-N 464.429 3.488 10 10 JGCE O=C(O)Cc1sc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)nc1-c1cccs1 1858003968 FUFSLEQXGKAQKM-UHFFFAOYSA-N 463.562 3.426 10 10 JGCE C[C@H]1Oc2ccc(C(=O)COc3cccnc3NC(=O)Oc3ccc(N)cc3)cc2N(C)C1=O 1858695850 YXWIDPUWOCQYSV-CQSZACIVSA-N 462.462 3.280 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c3ccc(F)cc3)CC2)cc1 1862065597 OUYXVRVRNYNQTP-VWLOTQADSA-N 477.536 3.230 10 10 JGCE CC[C@](C)(NC(=O)CCCOc1ccc(OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862236604 ZZCHISXDLKHKEP-MHZLTWQESA-N 483.609 3.497 10 10 JGCE CCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864008312 IAVVIOHEMGEZJZ-IBGZPJMESA-N 454.914 3.466 10 10 JGCE COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3CC(C)C)[C@@H]2c2ccc(O)c(O)c2)cc1 1864009149 APCICENUDCPZTC-QFIPXVFZSA-N 478.549 3.278 10 10 JGCE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864011022 YFXUIZOSOKAWTK-HXUWFJFHSA-N 475.530 3.059 10 10 JGCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCC(C)C)[C@@H]2c1ccc(O)c(O)c1 1864022087 KNEIPSPHDKYRLQ-CQSZACIVSA-N 454.449 3.190 10 10 JGCE CC[C@](C)(NC(=O)c1nc(C2CC2)n2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868777080 BCMOMWLNGOBDQY-MHZLTWQESA-N 475.593 3.468 10 10 JGCE O=C(O)COc1c(Cl)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Cl 2313559481 YZDVCTJFIDNXFJ-UHFFFAOYSA-N 469.277 3.427 10 10 JGCE COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3cccn3C)C[C@H]2c2ccccc2OC)cc1 35962440 TYAYFGOEQREXKZ-QHCPKHFHSA-N 460.534 3.492 10 10 JGCE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3cccc([N+](=O)[O-])c3)c3ccco3)CC2)cc1 38619278 RDPFVLQFLDMMGI-QFIPXVFZSA-N 486.550 3.038 10 10 JGCE C[C@@H]1[C@@H](NC(=O)Cn2c(=O)/c(=C/c3ccc(N(C)C)cc3)s/c2=C\C(=O)C(C)(C)C)CCC[C@H]1C 255961491 XTUCJUIMBLKLHX-RWKVHFMLSA-N 497.705 3.141 10 10 JGCE CC(=O)c1ccc(N2CCN(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)CC2)c(F)c1 1479534263 LEIOPIYUPCVTJA-DEOSSOPVSA-N 455.578 3.229 10 10 JGCE COc1ccc(-c2nc(NS(=O)(=O)c3ccc4nc(O)[nH]c4c3)sc2CCC(=O)O)cc1 1858035327 XNLUSZADLQOPCW-UHFFFAOYSA-N 474.520 3.219 10 10 JGCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1ccc(-n2cnnn2)cc1 1860343511 FCRIDXSRGHAGQE-UHFFFAOYSA-N 488.511 3.189 10 10 JGCE CCOc1ccc(C(=O)N[C@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862063054 WXDLNKAPFUSMKG-HSZRJFAPSA-N 471.623 3.294 10 10 JGCE CCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1864012097 QZRBXIYJMPWSDG-HXUWFJFHSA-N 452.486 3.011 10 10 JGCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864014321 RWHVJIJVGGUNKC-HXUWFJFHSA-N 466.513 3.417 10 10 JGCE CCCCOCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccccc2)[nH]1 1871598431 UEIGNBOFVULSOR-UHFFFAOYSA-N 491.640 3.413 10 10 JGCE COCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCCN2CCCC2)C1=O 1873165240 JYLVGWWQICUUBV-UHFFFAOYSA-N 464.610 3.286 10 10 JGCE CC[C@H](C)N1C(=O)C(=Cc2c(N3CCN(CC)CC3)nc3ccc(C)cn3c2=O)SC1=S 2053511272 MBLIZSYWPRKVMV-INIZCTEOSA-N 471.652 3.145 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CCN(C(=O)OCc2ccccc2)C1 2136263431 CIVVHUWEPJEICA-UXHICEINSA-N 499.564 3.061 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N(Cc1ccccc1)C1(CO)CCC1 2180671030 QNBVBMUSPZVKBI-FQEVSTJZSA-N 470.566 3.477 10 10 JGCE C[C@H]1[C@@H](NC(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 2200966786 JTLANEOOFDXMCG-XIRDDKMYSA-N 479.574 3.048 10 10 JGCE C[C@H](CN(C)C(=O)OC(C)(C)C)N(C)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200974016 YWOZYKBAFVJRCT-WBVHZDCISA-N 481.590 3.247 10 10 JGCE COc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c1C 20356657 CPCHOMDNZCJXFG-ARFHJRQPSA-N 464.551 3.012 10 10 JGCE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCc1ccc(N2CCNC(=O)C2)cc1 106188229 VTYJXJCARKFTOZ-ZDUSSCGKSA-N 466.763 3.122 10 10 JGCE Cc1c(CC(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@@H]45)[C@@H]32)c(=O)oc2c(O)c(O)ccc12 504629470 RIUHVCNJKHMQAL-MWRIXTAVSA-N 464.562 3.477 10 10 JGCE biogenic CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 1537679121 FXTPMIDEOPNRIO-HXOBKFHXSA-N 457.596 3.376 10 10 JGCE CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)Oc3ccc(N)cc3)cc21 1858694722 KWJPWKHSOUPFAS-UHFFFAOYSA-N 462.462 3.282 10 10 JGCE CCc1sc(NC(=O)C(=O)N(C)CCC(=O)O)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763893 QIPXSCMNJFUPLZ-UHFFFAOYSA-N 497.367 3.398 10 10 JGCE CC[C@H](C)N1C(=O)c2ccc(C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)cc2C1=O 1865894471 UUVCIRCGSJFVRY-KSFYIVLOSA-N 459.550 3.400 10 10 JGCE O=C(C[C@@H](c1ccccc1)C1CC1)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866725992 AACPGWODJJFBSW-LADGPHEKSA-N 482.536 3.462 10 10 JGCE COC(=O)c1ccc(N2NC(=O)C(=Cc3ccc(-c4ccc([S@](=N)(=O)O)cc4)o3)C2=O)cc1 2297307419 MJTIRGAAZAAKCI-UHFFFAOYSA-N 467.459 3.073 10 10 JGCE COc1cc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccccc4)N=C3C)cc2)nc(OC)n1 2297321160 NAHJZQGZSSMJKJ-UHFFFAOYSA-N 494.533 3.013 10 10 JGCE C[C@@H]1CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(C3CCCC3)C2=O)C[C@@H](C)O1 2314400520 OJQSCXWYECBZSW-HUUCEWRRSA-N 470.620 3.452 10 10 JGCE COCCN1C(=O)C(=Cc2cc3cccc(C)c3nc2N2CCC(C(N)=O)CC2)SC1=S 2314650557 OHQWUWHMFZXPQJ-UHFFFAOYSA-N 470.620 3.093 10 10 JGCE COc1cccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c1OCc1ccc([N+](=O)[O-])cc1 33673948 XJOAFWQERDOPJA-SXGWCWSVSA-N 460.489 3.468 10 10 JGCE COC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 59396376 KZOJEEDNQZAXNW-AUWJEWJLSA-N 479.272 3.220 10 10 JGCE CCN(CC)C(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c2ccccc21 103555635 FHMCUTLAPLXKED-AQTBWJFISA-N 462.481 3.315 10 10 JGCE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c(C)n1-c1ccccc1F 247836430 NKJITIXGPRWPFV-UHFFFAOYSA-N 486.525 3.288 10 10 JGCE CN(C)c1ccc([C@@H]2N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]32)cc1 248207812 BUOYHMCJXVIIDO-DHMIZTNRSA-N 488.588 3.344 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)Nc3nc(CN4CCC[C@H](C)C4)cs3)CC2)cc1 742927936 AGKRJIYMMFTUDS-IBGZPJMESA-N 472.659 3.327 10 10 JGCE C[C@H]1NC(=O)C2(CCCCOCCCNC1=O)CCN(Cc1cc(C(C)(C)C)ccc1O)CC2 1615076969 HMBYLTJQLBIVSO-HXUWFJFHSA-N 473.658 3.483 10 10 JGCE CC[C@@H](NC(=O)c1ccc2nc(C)c(C)nc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862077483 PTFCBUQOXPRBRV-JOCHJYFZSA-N 461.566 3.112 10 10 JGCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCc1ccccc1OC)[C@@H]2c1ccc(O)c(O)c1 1864022483 XSCSKYABZRYOQR-OAQYLSRUSA-N 478.549 3.286 10 10 JGCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccccc1 1865013542 NPXMTCBRUMEQGF-HSZRJFAPSA-N 473.577 3.263 10 10 JGCE COc1ccc(N2CCN(c3cc(N4CCN(C(=O)C5CCCCC5)CC4)nc(C)n3)CC2)cc1 1869290178 ZIXATJDNHRILHC-UHFFFAOYSA-N 478.641 3.349 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cn(-c4ccc(Br)cc4)c(=O)cc3O)CC2)cc1 1870131148 ZIXAHWSVFGHGBF-UHFFFAOYSA-N 484.350 3.277 10 10 JGCE O=C1NC(=O)N(c2ccccc2F)C(=O)C1=Cc1cn(CC(=O)N2CCCCC2)c2ccccc12 2297310003 SMQNJMQXTBABNN-UHFFFAOYSA-N 474.492 3.459 10 10 JGCE C#CCN(c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1705561625 RXGKRYZIGGJPEP-NVQXNPDNSA-N 495.649 3.140 10 10 JGCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1 1864007126 GMLQDMSCYBMGEY-ASSNKEHSSA-N 464.522 3.210 10 10 JGCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@@H]3c3ccc[nH]3)CC2)cc1 1865599573 COZJGWNQGHQQOB-QHCPKHFHSA-N 490.608 3.228 10 10 JGCE CCOC(=O)c1c(NC(=O)CC[C@H](N)C(O)O)sc(C)c1-c1ccc(Br)cc1 1865959173 NVNIEGAOIDZMRD-ZDUSSCGKSA-N 471.373 3.019 10 10 JGCE COCCCNC(=O)c1c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])sc2c1CCCC2 1871342893 NZFBCWCYHOZEKQ-UHFFFAOYSA-N 453.542 3.102 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCc4ccco4)[nH]c(=Nc4ccc5cc[nH]c5c4)[nH]3)CC2)cc1 1871588897 ZJNRIPVTZNCUIX-UHFFFAOYSA-N 496.575 3.481 10 10 JGCE COc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCNC(C)=O)C2=O)cc1 1873166215 HDEKTFNDGGOHSI-UHFFFAOYSA-N 486.572 3.109 10 10 JGCE CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(C)cc2)C1=O 1873167151 UQWLQSOBTXEPEJ-UHFFFAOYSA-N 470.573 3.408 10 10 JGCE O=C(O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 2053539335 DNFQJBLELQWDQU-ZDUSSCGKSA-N 462.461 3.374 10 10 JGCE [N-]=[N+]=NCC1(CNC(=O)c2cc(I)cc(I)c2O)CC1 2174351656 MUIZEJFAMBZCKY-UHFFFAOYSA-N 498.062 3.422 10 10 JGCE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)CCOc2ccc(N)cc2)C1 2205550254 RKBWPCNEGIXMHO-JOCHJYFZSA-N 468.598 3.275 10 10 JGCE Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(S(=O)(=O)NCc4ccccc4)cc3)C2=O)cc1 2297109892 VQUGJZHFIMDBHS-UHFFFAOYSA-N 490.541 3.052 10 10 JGCE NC(=O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2cccc(OCc3ccc(Cl)cc3)c2)SC1=S 2314541535 NNMJRRFDLAKZJE-INIZCTEOSA-N 476.963 3.449 10 10 JGCE COCCN1C(=O)/C(=C\c2c(N(C)Cc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2289241 RZNYQUXWDMHEEB-XMHGGMMESA-N 480.615 3.487 10 10 JGCE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccc(OC)cc3)c3ccco3)CC2)cc1 20614896 DBORQAYJZTWTQS-HSZRJFAPSA-N 471.579 3.139 10 10 JGCE Cc1ccc2nc(Sc3ccccc3)c(/C=C3/SC(=S)N(CC(=O)O)C3=O)c(=O)n2c1 33162114 OAKGOAPVJJTFGQ-OQLLNIDSSA-N 469.569 3.440 10 10 JGCE CCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccc(OC)cc2)SC1=S 40066627 OXQBGXVVXVRBGJ-ZDLGFXPLSA-N 454.577 3.407 10 10 JGCE CCCCOc1ccc(NC(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 44441261 WLWLXXNJTKBSJS-UHFFFAOYSA-N 490.626 3.148 10 10 JGCE CCOC(=O)CCN1C(=O)/C(=C/c2ccc(OCC(=O)N(CC)CC)c(OCC)c2)SC1=S 206842403 OAVMOLNLPABLKE-RGEXLXHISA-N 494.635 3.487 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)c3cnc4c(c3)c(C)nn4-c3ccccc3)CC2)cc1 742919069 BVIXEKPXXKMQCW-UHFFFAOYSA-N 470.577 3.290 10 10 JGCE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCc2ccc(N(C)C)cc2C)cc1 1435117200 BQJPOZCEEWVQHL-HSZRJFAPSA-N 457.596 3.123 10 10 JGCE COC(=O)c1cccc(CN2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)c1 1860826383 DYOKJNGLOCUDQU-HNENSFHCSA-N 482.539 3.066 10 10 JGCE COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(C)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1864009724 LFFBHBVKDDSSBH-JOCHJYFZSA-N 478.549 3.278 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cc(=O)c4c(OC)c(Cl)cc(OC)c4[nH]3)CC2)cc1 1866522317 BEUGCPASMLRALH-UHFFFAOYSA-N 457.914 3.170 10 10 JGCE Cc1ccccc1CCCC(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867121413 IXZRIJAVXFUTHG-HSZRJFAPSA-N 470.525 3.209 10 10 JGCE CN(C)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cn4cncn4)cc2)C3=O)c1 1873894314 GTLVBTZNYLRURF-UHFFFAOYSA-N 466.501 3.445 10 10 JGCE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NC[C@@H]3CCCO3)ncnc21 1875200256 JYJLCEKSJOBYPK-FQEVSTJZSA-N 464.570 3.013 10 10 JGCE COCCN1C(=O)C(=Cc2cn(CCOc3ccccc3OC)c3ccccc23)C(=O)NC1=S 2297560282 KXDHQVPPSAFXRP-UHFFFAOYSA-N 479.558 3.002 10 10 JGCE COc1ccc(C=C2SC(=S)N([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)C2=O)cc1OC 2314832178 BIMZNTIAKHWWQI-OAHLLOKOSA-N 472.519 3.376 10 10 JGCE CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3C(=O)C(=Cc4ccc(OC)cc4)SC3=S)C2=O)cc1 2314832297 DWDZSTRUSJOBIP-GOSISDBHSA-N 496.566 3.405 10 10 JGCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccncc3)C2=O)ccc1O[C@H](CC)C(=O)O 2314933305 AKPCFHSFTGQDFF-OAHLLOKOSA-N 487.559 3.269 10 10 JGCE CCOc1ccc(C=CC(=O)NC(C)(C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 2330603595 JIHWJVYHQRTXPD-UHFFFAOYSA-N 451.567 3.351 10 10 JGCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O 14468617 PFIVCFVWHYGMQR-UZINWLIJSA-N 497.617 3.383 10 10 JGCE NC1=NC(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(Cl)cc3)c3ccc(Br)cc32)S1 54201902 FDDVFUDOGHABBJ-FOCLMDBBSA-N 491.754 3.387 10 10 JGCE Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\NC(=O)Nc2ccc(F)cc2)C1=O 101512796 DVOUFIZBMNLCOC-NTEUORMPSA-N 461.247 3.185 10 10 JGCE CCN(CC)C(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 206887565 BSPYUKCNBOCYKD-RGEXLXHISA-N 469.588 3.480 10 10 JGCE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 727742697 AJTOMKPBDJKQQT-UHFFFAOYSA-N 470.570 3.104 10 10 JGCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCCc1ccc(Cl)cc1)[C@@H]2c1ccc(O)c(O)c1 1864010265 QWWMQUPQAAEQKC-HXUWFJFHSA-N 468.941 3.330 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N(Cc3ccccn3)C2=O)cc1 1873165867 USFLNQRVWXXWPA-UHFFFAOYSA-N 457.578 3.311 10 10 JGCE COc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 2040446783 LFTNOEYGIHEEAQ-UHFFFAOYSA-N 479.557 3.057 10 10 JGCE O=C(NN1C(=O)C(=Cc2ccc(O)c(O)c2)SC1=S)c1ccc(Br)cc1 2296880185 VCWVIWIITRTFHM-UHFFFAOYSA-N 451.323 3.407 10 10 JGCE C[C@@H](Oc1ccc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1)c1ccccc1 2297344984 DQNBUWKZKDOUHW-CYBMUJFWSA-N 454.533 3.448 10 10 JGCE CC[C@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3cccc(O)c3)C2=O)c1)C(=O)O 2314926343 GZCJRDAKXXNDNZ-INIZCTEOSA-N 458.517 3.180 10 10 JGCE Cc1ccccc1/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O 15040138 FXELNEDNFXGGOB-AQTBWJFISA-N 475.617 3.263 10 10 JGCE O=C(O)CNC(=O)CCCN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 15040242 XXZKIRYRQGMTCT-UYRXBGFRSA-N 470.572 3.448 10 10 JGCE COc1ccc(N2CCN(C(=O)c3ccc([C@H]4Nc5ccccc5S(=O)(=O)N4)cc3)CC2)cc1 33063252 NXKRWLNOAYUSKR-DEOSSOPVSA-N 478.574 3.060 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)Nc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)CC2)cc1 742927987 FAGGLUNLOADPCT-WOJBJXKFSA-N 485.604 3.392 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)NC[C@H](c3cccs3)N3CCCC3)CC2)cc1 743362621 GKAWQTULMLFASB-JOCHJYFZSA-N 457.644 3.015 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)cc2)CC1 1625193614 ZXUZTTWYAGXAEK-FGZHOGPDSA-N 458.603 3.055 10 10 JGCE COc1ccc(N2CCN(C(=O)CCN=c3nc(O)cc(-c4ccc(Cl)cc4)[nH]3)CC2)cc1 1858539769 PENFQKNFZFMPTG-UHFFFAOYSA-N 467.957 3.084 10 10 JGCE CCOC(=O)c1c(NC(=O)C(=O)NCCN(C)C)sc(C)c1-c1ccc(Br)cc1 1860758573 OOXBQEOEBDRIMA-UHFFFAOYSA-N 482.400 3.279 10 10 JGCE CCCn1cccc(C(=O)N[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)c1=O 1862019227 NCFFCYUIOMFCLY-VWLOTQADSA-N 488.588 3.087 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(F)cc4)cn3C[C@H](C)O)CC2)cc1 1870625944 ZVUQRQSUMBQLML-FQEVSTJZSA-N 481.568 3.278 10 10 JGCE CCOc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(C(=O)OCCN(CC)CC)cc3)C2=O)cc1 2297507389 UKYJQANSLWBYQM-UHFFFAOYSA-N 494.548 3.163 10 10 JGCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCCSCc1[nH]cnc1C 2313683189 UFKDCRUUMGETKE-UHFFFAOYSA-N 484.607 3.391 10 10 JGCE COc1ccc(N2CCN(CCCNC(=O)c3ccc(NC(=O)c4nnc(C)s4)cc3)CC2)cc1 33011049 UJAAIUNYCHVCHM-UHFFFAOYSA-N 494.621 3.050 10 10 JGCE CC(=O)N1CCC[C@@H](Cn2c(C(C)C)nnc2N(C)Cc2ccc(N3CCOCC3)cc2)C1 1760591242 VLASACRAFWLIMB-JOCHJYFZSA-N 454.619 3.133 10 10 JGCE COc1ccc(N2CCN(C(=O)CSc3nc(O)cc(-c4ccccc4F)n3)CC2)cc1 1858511414 NQWZJUQZWZSICZ-UHFFFAOYSA-N 454.527 3.438 10 10 JGCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCCc1ccc(C)cc1)[C@H]2c1ccc(O)c(O)c1 1864009877 MPCDCQQHOLOGSJ-QFIPXVFZSA-N 462.550 3.375 10 10 JGCE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865033405 YSPPJJULNJMSLV-OAQYLSRUSA-N 476.533 3.172 10 10 JGCE COc1ccc(-c2nc(CC(=O)N[C@@H](C)C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(C)o2)cc1 1868654151 RUVREKPSTCUXTF-SFHVURJKSA-N 492.576 3.063 10 10 JGCE CC(C)c1ccc(C=C2SC(=S)N(CCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 2296885372 QWJWNRYWUGXSAX-KRWDZBQOSA-N 466.650 3.047 10 10 JGCE COc1cc(C=C2SC(=S)N([C@@H](C)C(=O)Nc3nccs3)C2=O)cc(OC)c1O 2314836945 MEMNKSVWUCFHMB-VIFPVBQESA-N 451.551 3.094 10 10 JGCE Cc1ccc2nc(NCCO)c(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(=O)n2c1 33517559 AMQPLKNRFYXPKE-BRYHAGSVSA-N 466.588 3.370 10 10 JGCE COc1ccc(/C=C2/N=C(c3ccccc3)N(c3cc(S(=O)(=O)O)ccc3C(=O)O)C2=O)cc1 83263097 KWBHXJAFHBNYNP-DEDYPNTBSA-N 478.482 3.475 10 10 JGCE O=C1N[C@@H](c2cc(I)cc(I)c2O)[C@@H](C(F)(F)F)O1 575256519 MIFCAPQMNWELQV-XPUUQOCRSA-N 498.964 3.313 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)Cc3ccc(Cl)cc3)CC2)cc1 1861960142 HLMYNVBHBKUGNL-OAQYLSRUSA-N 459.999 3.141 10 10 JGCE CSCC[C@@H](C(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C)N1C(=O)c2ccccc2C1=O 1865987371 PTJAQXOTEVEHNY-VXKWHMMOSA-N 491.617 3.110 10 10 JGCE O=C(NC1CC1)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179766 OJGUWUOGOZCYNV-QFIPXVFZSA-N 453.498 3.473 10 10 JGCE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)c2cccc(O)c2O)CC1 1965307043 RPBXLUHCKUVDOH-UHFFFAOYSA-N 465.547 3.028 10 10 JGCE CCCCCN1C(=O)C(=Cc2c(N3CCN(CC)CC3)nc3ccccn3c2=O)SC1=S 2040498581 NDCLEHIJMRNJCP-UHFFFAOYSA-N 471.652 3.228 10 10 JGCE COC(=O)CC(=O)C[C@@](N[S@](=O)C(C)(C)C)(c1ccc(N2CCOCC2)cc1)c1ccsc1 2054740419 YKRQQUHBXKVNRD-GJBXTBEHSA-N 492.663 3.402 10 10 JGCE Cc1cccc(COc2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c1 2297499241 JJTKDWQBBVSSSS-UHFFFAOYSA-N 454.533 3.195 10 10 JGCE COc1cc(C=C2SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)ccc1OCC(C)C 2314842541 YNMSQECEMFHMKP-CYBMUJFWSA-N 453.538 3.249 10 10 JGCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(NC(=O)Cc3ccccc3)C2=O)cc1)C(=O)O 2314930710 IBVWCNZWSJROBN-QGZVFWFLSA-N 456.545 3.404 10 10 JGCE COCCNC(=O)Cn1cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)c2ccccc21 33441729 YGBWOKNCXKBWGZ-UNOMPAQXSA-N 480.521 3.215 10 10 JGCE CCOC(=O)N1CCN(C(=O)CCCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)CC1 35638444 TZQPUTYAHVAICV-SAPNQHFASA-N 465.572 3.108 10 10 JGCE CCCCn1c(N2CCCCC2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O 39990339 USYPKSYGTGAKOI-AQTBWJFISA-N 488.635 3.495 10 10 JGCE CN(C)c1ccc([C@H](CNC(=O)c2c[nH]c3cc4c(cc3c2=O)OCCO4)N2CCCCC2)cc1 1866068004 FLNRTCWXBSCLAJ-QHCPKHFHSA-N 476.577 3.322 10 10 JGCE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@H]1C[C@@H](N)CCN1C(=O)OC(C)(C)C 1952401175 ISFQGJIBIJXQET-GVDBMIGSSA-N 451.564 3.260 10 10 JGCE CN(CC1(NC(=O)OC(C)(C)C)CC1)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200954023 WECBZDHNVDXPAS-INIZCTEOSA-N 479.574 3.049 10 10 JGCE COc1cncnc1NS(=O)(=O)c1ccc(NC=C2C(=O)N(c3ccc(C)cc3)N=C2C)cc1 2297511509 SKNWFWRCBHJSML-UHFFFAOYSA-N 478.534 3.313 10 10 JGCE C[C@@H](Oc1cccc(C=C2SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)c1)C(=O)O 2314926226 DLOZRVAIDILSRH-CXAGYDPISA-N 457.529 3.436 10 10 JGCE Cc1cc(C(=O)[C@@H](C)OC(=O)CN2C(=O)NC(C)(C)C2=O)c(C)n1-c1ccc(OC(F)F)cc1 9250562 BSDORZNRWRVRGL-CQSZACIVSA-N 477.464 3.140 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)c3cc(-c4c(C)noc4C)ccc3OC)CC2)cc1 21882855 ANAKBBCJHVHOMA-UHFFFAOYSA-N 457.552 3.487 10 10 JGCE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccc(OC)c(F)c3)c3ccco3)CC2)cc1 38619282 SXCFXOFFHPYOLX-QFIPXVFZSA-N 489.569 3.278 10 10 JGCE C/C(Nc1ccc(S(N)(=O)=O)cc1)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 205957831 KULUNNCDNDNVLT-RCCKNPSSSA-N 477.502 3.379 10 10 JGCE Cc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)N[C@](Cc3ccc(O)cc3)(C(=O)O)[C@@H]2C1=O 248058490 PBEVDKPNWAIWSR-MGQBIDJDSA-N 499.567 3.283 10 10 JGCE COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)c(C)c1 727244598 CWJMFSVSIYDXKU-UHFFFAOYSA-N 481.577 3.077 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)Cc3csc(NC(=O)c4ccccc4F)n3)CC2)cc1 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SVKYHXZEWYWCPQ-UHFFFAOYSA-N 469.064 3.062 10 10 JGCE COCCN1C(=O)/C(=C\c2c(NCc3ccc(OC)cc3)nc3c(C)cccn3c2=O)SC1=S 33933464 PPYDJHCBTJSXAC-CPNJWEJPSA-N 496.614 3.471 10 10 JGCE COc1ccc(N2CCN([C@@H](CNC(=O)COc3ccccc3OC)c3ccco3)CC2)cc1 56943660 GERHGCLCIVGHQY-QFIPXVFZSA-N 465.550 3.355 10 10 JGCE COC(=O)c1ccc(/C=C2/SC(=S)N(CCC(=O)OC3C[C@@H]4CC[C@H](C3)N4C)C2=O)cc1 1081155426 JVZFKELIZHCZJL-NLJHVSKQSA-N 474.604 3.233 10 10 JGCE Cc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 1084549847 JVGKZVSFDRZWAJ-NDENLUEZSA-N 499.479 3.408 10 10 JGCE CC(=O)N1CCC[C@H](CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1 1524967552 AHYGAVNRUCPZSD-QAEAHILHSA-N 451.639 3.104 10 10 JGCE CC(=O)N1CCC[C@H](Cn2c(CC(C)C)nnc2N(C)Cc2ccc(N3CCOCC3)cc2)C1 1596065029 MHCNMIAMCJLIHJ-QHCPKHFHSA-N 468.646 3.208 10 10 JGCE COc1ccc(N2CCN(C(=O)CCC(=O)N3CCN(c4nsc5ccccc45)CC3)CC2)cc1 1860292032 USEGUGSJBDYSKW-UHFFFAOYSA-N 493.633 3.083 10 10 JGCE CCCCCCOC(=O)CN1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860827406 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CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2 1865030660 OFXHWBVMCBKXKS-AVRDEDQJSA-N 498.624 3.361 10 10 JGCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3ccc(F)cc3F)CC2)cc1 1865419017 YPFZIQXMIFJJPA-QFIPXVFZSA-N 495.530 3.059 10 10 JGCE CCCC[C@@H](NC(=O)Cc1sc(C)nc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868584667 JQPBWGJSEYUIRN-OAQYLSRUSA-N 458.628 3.335 10 10 JGCE CCN(CC)c1ccc(-n2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(O)cc2=O)cc1 1870130781 PRKCOZJPZVMYTI-UHFFFAOYSA-N 476.577 3.360 10 10 JGCE CCNC(=O)c1nn(Cc2c(O)cccc2F)c(C(F)(F)F)c1I 2079213337 CQDHGEQCYWICQI-UHFFFAOYSA-N 457.165 3.149 10 10 JGCE CC(C)(CNC(=O)OC(C)(C)C)CNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200968702 FOQBIJDZGLMJEW-INIZCTEOSA-N 481.590 3.201 10 10 JGCE O=C(O)COc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc(Br)cc2)C1=O 2314932200 UDKFPQHZYGDZQH-UHFFFAOYSA-N 493.360 3.459 10 10 JGCE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2CCN(C)CC2)SC1=S 33812590 CFAQAMKMWGOTGD-RGEXLXHISA-N 473.668 3.192 10 10 JGCE Cc1c(N2C(=O)/C(=C3/C(=O)Nc4ccc([N+](=O)[O-])cc43)SC2=S)c(=O)n(-c2ccccc2)n1C 34138212 XJGZVZSYFPBLJJ-VLGSPTGOSA-N 493.526 3.121 10 10 JGCE CCCCN(C(=O)/C=C\c1c(C(=O)OCC)c(C)n(CC)c1C)c1c(O)nc(=O)n(CCC)c1N 822865360 FUXKOENHVVBYLV-SEYXRHQNSA-N 487.601 3.403 10 10 JGCE CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2C)C(=O)NC1=S 1084301818 JYWHFJUZEMCYEL-PDGQHHTCSA-N 467.551 3.249 10 10 JGCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)OCc3ccccc3)cc2)cc1 1859008145 FWHKEECMDHSJQO-UHFFFAOYSA-N 469.519 3.215 10 10 JGCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865035553 WTBRQZAKVXXGBD-YWZLYKJASA-N 454.571 3.466 10 10 JGCE COc1cc(C=C2C(=O)NN(c3ccc(Br)cc3)C2=O)cc(Br)c1O 2297302819 PMDHYOFDFSWQCD-UHFFFAOYSA-N 468.101 3.387 10 10 JGCE CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OC(=O)c4ccc(Cl)cc4)cc3)C(=O)N=C2S1 2297346287 SAKBQYQSQAGIKV-UHFFFAOYSA-N 488.934 3.180 10 10 JGCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1OCC(=O)O 2314933158 UMYUQNVAHBUEEP-UHFFFAOYSA-N 472.544 3.403 10 10 JGCE COc1ccc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1S(=O)(=O)N(C)C 11085408 AKFGHGFRMKVEOI-UHFFFAOYSA-N 455.580 3.326 10 10 JGCE O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cc(C(=O)O)cc(C(=O)O)c1 16922465 YGPYDWZQFVZAMK-GUSDSWBTSA-N 468.512 3.479 10 10 JGCE NS(=O)(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)Cc4ccccc4)C3=O)o2)cc1 33568180 VQBJCWAUCMRIJG-CPNJWEJPSA-N 499.595 3.069 10 10 JGCE CCCCNC(=O)N(CCN(C)C)Cc1ccc(N(CC)CC)cc1OS(=O)(=O)CC 34921763 JTUSLJQWSLTTFJ-UHFFFAOYSA-N 456.653 3.135 10 10 JGCE Cc1c(/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c(NCc2ccco2)n(C)c(=O)c1C#N 208270495 IQVNLQXCDGOFGS-QANDDYDISA-N 470.576 3.151 10 10 JGCE CC(=O)N(C)C1CCN(c2nnc(-c3cccn3C)n2CCCSc2nccs2)CC1 1508182303 HVQAXLVSWDRTPY-UHFFFAOYSA-N 459.645 3.370 10 10 JGCE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccnc3)n2CCCSc2nccs2)C1 1722752571 RGYLUEGEWZYNJG-KRWDZBQOSA-N 457.629 3.284 10 10 JGCE CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CCNCc1cc(C)ccc1O 1860713923 VGZNQKUXVFDKHV-UHFFFAOYSA-N 457.571 3.453 10 10 JGCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865032896 NNFRZVDOGMUCGG-FQEVSTJZSA-N 496.951 3.053 10 10 JGCE CCN(CC)CCN1C(=O)C(NCCCN(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165737 SFWMKYKOCUFKBF-UHFFFAOYSA-N 465.642 3.057 10 10 JGCE CO[C@@H](c1ccc(O)c(O)c1O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952364896 KWLGPFMBRPHJFR-OFNKIYASSA-N 465.458 3.483 10 10 JGCE CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200962433 HUFBKDIDYFXFKG-IRXDYDNUSA-N 479.574 3.049 10 10 JGCE COc1cc(C=C2SC(=S)N(NC(=O)Cc3ccccc3)C2=O)ccc1O[C@H](C)C(=O)O 2314930872 AIBHDSFRLOXZHR-CYBMUJFWSA-N 472.544 3.022 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(C(=O)c4cc5sccc5n4C)C3)CC2)cc1 8604999 XZPIMFMCUYEMHR-GOSISDBHSA-N 466.607 3.449 10 10 JGCE COc1ccc(N2CCN(CCCNC(=O)CCn3c(=O)c(C)nc4cc(C)c(C)cc43)CC2)cc1 33005679 CKNGPFTXTDEVMW-UHFFFAOYSA-N 491.636 3.049 10 10 JGCE CCOCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCCOCC)C1=O 33780700 XWMPTAZJDUBXKJ-BMRADRMJSA-N 476.624 3.161 10 10 JGCE CC(=O)N1CCN(c2cccc(NC(=O)NCc3ccc(N4CCSCC4)cc3)c2)CC1 1660786081 AVSITYRNCNBVCL-UHFFFAOYSA-N 453.612 3.230 10 10 JGCE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(N2CCOCC2)c(F)c1 1705558474 YALWJRBDVNRKNI-QFIPXVFZSA-N 498.603 3.444 10 10 JGCE C#CCN(c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1705562152 YAJUFXONDQSVSX-QFIPXVFZSA-N 495.649 3.140 10 10 JGCE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCS(=O)(=O)CC=C 1705590121 CBFCQXRDOGXIHN-UHFFFAOYSA-N 475.618 3.416 10 10 JGCE COc1ccc(N2CCN(C(=O)CNC(=O)c3ccc4nc(-c5ccccc5)[nH]c4c3)CC2)cc1 1862089857 SEPNPUYKTSYCSN-UHFFFAOYSA-N 469.545 3.317 10 10 JGCE CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864008073 BAOYADBEBIDZCP-QFIPXVFZSA-N 478.549 3.138 10 10 JGCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCc1cccs1)[C@@H]2c1ccc(O)c(O)c1 1864022397 VQENLHBQWLWQIJ-LJQANCHMSA-N 468.579 3.382 10 10 JGCE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865025956 GOCLUXIWAPEJQG-NRFANRHFSA-N 464.497 3.107 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C3(c4ccc(N)cc4)CCCCC3)CC2)cc1 1868931887 LAJZVIJZTGUPRN-FQEVSTJZSA-N 464.610 3.333 10 10 JGCE COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)C1=Cc1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 2293426910 ZEENKZSWJPPPKD-QHCPKHFHSA-N 490.556 3.233 10 10 JGCE CCOC(=O)N1CCN(C(=O)CCN2C(=O)C(=Cc3ccccc3Cl)SC2=S)CC1 2296754884 NLGZOOBUFDHTLV-UHFFFAOYSA-N 468.000 3.232 10 10 JGCE CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cccn3-c3cccc(C(F)(F)F)c3)C(=N)N21 2297346889 WEEIFKAGRHOEIS-UHFFFAOYSA-N 467.454 3.117 10 10 JGCE NC(=O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S 2314542867 ZPEPUGYTGPJVFR-INIZCTEOSA-N 476.963 3.449 10 10 JGCE CCOC(=O)CCN1C(=O)C(=Cc2ccc(OCC(=O)N3CCCCC3)cc2)SC1=S 2314759625 DTKQCAWJNMEZDK-UHFFFAOYSA-N 462.593 3.232 10 10 JGCE O=C(CCCN1C(=O)/C(=C/c2ccc(O)cc2O)SC1=S)Nc1ccc(C(=O)O)cc1 15040017 ZKYDVZLRJGTAIV-YVLHZVERSA-N 458.517 3.416 10 10 JGCE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccccc3F)c3ccco3)CC2)cc1 38598278 UKRRWRYVVDJEJE-OAQYLSRUSA-N 459.543 3.269 10 10 JGCE CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 101346606 GTQIMHKZGYMNNZ-PXLXIMEGSA-N 454.552 3.043 10 10 JGCE O=C(/C=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)NCc1ccc(N2CCNC(=O)C2)cc1 107800535 FHSGUCZLGMJQHV-RAXLEYEMSA-N 492.583 3.259 10 10 JGCE COc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CCN(CCc4ccccn4)CC3)C2=O)cc1 205622061 AXCHSFCKPKMELR-RELWKKBWSA-N 496.658 3.068 10 10 JGCE CCOC(=O)CCN1C(=O)/C(=C/c2ccc(OCC(=O)N(CC)CC)c(OC)c2)SC1=S 206839165 QKDCZXFGNJRCNL-AQTBWJFISA-N 480.608 3.097 10 10 JGCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)cc2)CC1 1661394779 IMKQUMNYGGDIBZ-UHFFFAOYSA-N 456.395 3.282 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3Br)CC2)cc1 1858095838 UYKHXZFRSNRJIS-OAQYLSRUSA-N 472.383 3.411 10 10 JGCE CN(C)c1ccc(CNCCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 1860708500 NYVKNKUAFKRNRP-UHFFFAOYSA-N 459.597 3.128 10 10 JGCE CCOC(=O)c1c(NC(=O)C(=O)NC[C@H](C)O)sc(C)c1-c1ccc(Br)cc1 1860759126 VGZYCPRTRDTBJA-JTQLQIEISA-N 469.357 3.098 10 10 JGCE CCCn1cc(C(=O)N[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)ccc1=O 1861986845 WJXAEVKYHNSKNN-AREMUKBSSA-N 488.588 3.087 10 10 JGCE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccco1 1865305151 LJKJFMQPGPIRTH-JOCHJYFZSA-N 477.565 3.247 10 10 JGCE CCCNC(=O)COc1cn(CCOCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871136053 GCJVKWCEEANBBX-UHFFFAOYSA-N 494.592 3.118 10 10 JGCE CCc1ccc(Nc2nc(=NCCc3cnc[nH]3)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871584083 HDACVPRDERRNJC-UHFFFAOYSA-N 499.623 3.312 10 10 JGCE CC[C@H](CN(C)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 2200950885 DSSOTBKUEXVRDQ-SJORKVTESA-N 481.590 3.295 10 10 JGCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c([N+](=O)[O-])cc1OC 2294093864 YEMZNQYSDWGBOI-UHFFFAOYSA-N 476.239 3.041 10 10 JGCE C[C@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S 2296885234 KHYXNTTUKDRWGZ-CYBMUJFWSA-N 456.545 3.070 10 10 JGCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(N3CCOCC3)nc12 2314413544 ABXMJIAOVGSGSL-UHFFFAOYSA-N 496.589 3.380 10 10 JGCE Cc1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 33349058 MFYMVNMMMZHOKK-JAIQZWGSSA-N 470.938 3.492 10 10 JGCE O=C1N=C(N2CCN(C3=NC(=O)/C(=C\c4ccccc4O)S3)CC2)S/C1=C\c1ccccc1O 34878465 PVZUSEVTCAIUJH-LRVMPXQBSA-N 492.582 3.356 10 10 JGCE CCOC(=O)c1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)NC3=O)cc2OC)cc1 210894481 YILVZWNMARQAFI-WOJGMQOQSA-N 472.544 3.378 10 10 JGCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 731400583 GJKIAQPPEJTMMF-JOCHJYFZSA-N 473.595 3.140 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)Cc3sc(SC(F)F)nc3C)cc2)CC1 1616252747 VTZSHKUCHUDOMK-UHFFFAOYSA-N 454.568 3.294 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3ccc(Br)cc3)CC2)cc1 1862042776 SWSMHEXSUYQDPG-HXUWFJFHSA-N 490.423 3.322 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)OC(C)C)cn3CC(C)C)CC2)cc1 1870477755 YOCHZQKKIFDQGA-UHFFFAOYSA-N 471.598 3.166 10 10 JGCE COCCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871033400 PGRYRNMSECNGTJ-UHFFFAOYSA-N 492.576 3.088 10 10 JGCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H]3CC(=O)N(c4n[nH]c5cccc(F)c45)C3)cccc21 1874179512 HYEZVKVAYFYCEJ-CYBMUJFWSA-N 468.444 3.469 10 10 JGCE CO[C@H](c1cc(O)c(O)c(O)c1)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952306366 LDHVJUURNOCROY-FYYLOGMGSA-N 465.458 3.483 10 10 JGCE CCNC(=O)c1nn(Cc2cc(C)ccc2O)c(C(F)(F)F)c1I 2079215552 JNDJMQWHGBVMGI-UHFFFAOYSA-N 453.202 3.319 10 10 JGCE N=C1C(=Cc2ccc(OCc3ccccc3F)cc2)C(=O)N=C2SC(N3CCOCC3)=NN12 2297352745 RUKUKEVSEWDTMC-UHFFFAOYSA-N 465.510 3.314 10 10 JGCE CCOc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2313533021 LWAPPEGXHTYABH-UHFFFAOYSA-N 488.499 3.499 10 10 JGCE COc1ccc(C(=O)NN2C(=O)C(=Cc3cccc(OCCC(=O)O)c3)SC2=S)cc1 2314932575 WRJYSBDYDJXDQJ-UHFFFAOYSA-N 458.517 3.095 10 10 JGCE CC1=NN(c2cccc(C)c2)C(=O)/C1=C\NNc1nc2ccc(Br)cc2c(=O)[nH]1 101458953 JZUJSQLHISIQFP-YBEGLDIGSA-N 453.300 3.217 10 10 JGCE CN(C)CCCNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1860347282 HIQFRASNPPCLMI-AREMUKBSSA-N 459.594 3.246 10 10 JGCE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864007331 KOCOPYQBZMUCGX-XMMPIXPASA-N 498.539 3.482 10 10 JGCE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2 1864020327 BDKRPEMRGAAMFK-OAQYLSRUSA-N 462.550 3.239 10 10 JGCE CN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1865031368 FJLPWTSJQNFVPU-JOCHJYFZSA-N 498.539 3.096 10 10 JGCE CN(C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1ccc(O)c(O)c1)C1CCCCC1 1865031949 RWYUFVDUCFJYPH-OAHLLOKOSA-N 466.460 3.336 10 10 JGCE COc1ccc(CN2C(=O)c3ccc(C(=O)Nc4cc(OC)ccc4C(=O)O)cc3C2=O)cc1 1865878459 KCGNXYJCCYSVRU-UHFFFAOYSA-N 460.442 3.451 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 2328582171 VWCGRXVHVKWNES-HSZRJFAPSA-N 498.605 3.203 10 10 JGCE COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)NC(=O)C(=O)N3CCCCC3)CC2)cc1 9611882 UXPIKNOXRUWTBN-WMZHIEFXSA-N 470.639 3.137 10 10 JGCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(F)cc1)C(=O)NC(C)(C)C 35963287 QFXLVXHNPQAAGF-NRFANRHFSA-N 457.550 3.298 10 10 JGCE CCc1nn2c(=O)cc(COc3ccc(/C=C4\C(=N)N5C(C)=CSC5=NC4=O)cc3)nc2s1 104709404 GVONOYWMYOPHSV-FQYHFWRWSA-N 478.559 3.459 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)Nc3cc(Br)ccc3OC)CC2)cc1 1115904869 DFROLRJSRTXAFI-UHFFFAOYSA-N 463.376 3.410 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)Cc3nc(-c4ccc(F)cc4)cs3)cc2)CC1 1556199409 KQYGBUDBPDAWQY-UHFFFAOYSA-N 452.555 3.477 10 10 JGCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCCCO)CC1 1741043134 WSVZYTOACLZHLJ-UHFFFAOYSA-N 450.587 3.184 10 10 JGCE COc1cc(/C=C/C(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)cc(OC)c1OC 1865911395 GWWGWRQUQFMKII-QMZDIEEXSA-N 450.539 3.431 10 10 JGCE COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)NCCCC(=O)O)C2=O)cc(OC)c1O 15044881 WYVNQBLLBPOTNX-LGMDPLHJSA-N 496.607 3.152 10 10 JGCE CC(C)CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)N=C2S1 96461015 AMSNGDZAWSKIFQ-OSIMKLFKSA-N 486.531 3.292 10 10 JGCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 248039598 KIHDLKGNXPZYSJ-SFHVURJKSA-N 472.383 3.297 10 10 JGCE C#CCCCn1c(N2CCN(c3ccc(OC)c(F)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705539591 WFCHTKQOWOCUDH-VWLOTQADSA-N 471.577 3.206 10 10 JGCE COc1cc(NC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)c(C(=O)O)cc1OC 1859466970 IEKZFWIHTFFJKQ-UHFFFAOYSA-N 474.469 3.493 10 10 JGCE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864019313 IKPMTAGNPMOLDN-HXUWFJFHSA-N 498.967 3.016 10 10 JGCE Cc1ccc(COc2ccc(C=C3C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)cc2)cc1 2297352748 SASVVCWQCACHCL-UHFFFAOYSA-N 461.547 3.483 10 10 JGCE COc1cc(C=C2SC(=S)N(CCC(=O)NCc3ccccc3)C2=O)cc(OC)c1O 2314827278 ANQXXXNURLRULN-UHFFFAOYSA-N 458.561 3.317 10 10 JGCE CCc1ccccc1OCC(=O)N[C@@H](CCSC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862278597 XYNVIRSJFOVWQZ-QHCPKHFHSA-N 485.650 3.223 10 10 JGCE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCC)[C@H]2c1ccc(O)c(O)c1 1864017456 MRQMUPFXJVKTFT-IBGZPJMESA-N 464.522 3.211 10 10 JGCE CC[C@H](NC(=O)c1cc(-c2cc(F)ccc2F)n(C)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868943492 ZMOBILNSFNYKLS-QFIPXVFZSA-N 497.546 3.231 10 10 JGCE CC(C)C[C@H](CO)NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 2068913549 OHIXXZXZIDTJQB-WXTAPIANSA-N 460.578 3.311 10 10 JGCE COc1ccc(C2=NN(C(=O)C=C3SC(=O)NC3=O)[C@@H](c3ccc(N(C)C)cc3)C2)cc1 2293228050 AZYPBEQUSWESEJ-LJQANCHMSA-N 450.520 3.306 10 10 JGCE COCCCN1C(=O)C(=Cc2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC1=S 2296065464 AZBJKLPJCRNAGG-UHFFFAOYSA-N 492.626 3.495 10 10 JGCE O=C(CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)Nc1ccc(C(=O)O)c(O)c1 2296881516 LZVOLMPEQHQNLD-UHFFFAOYSA-N 472.500 3.049 10 10 JGCE CCN(CC)c1ccc([C@@H]2N(S(C)(=O)=O)CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 59074301 ZQLBUNFGMACRBY-JOCHJYFZSA-N 465.641 3.196 10 10 JGCE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1OCC(=O)O 210458947 NBLTVHRQTXWIMA-WQRHYEAKSA-N 488.543 3.104 10 10 JGCE COCCN(Cc1c(O)ccc2c(C)c(CC(=O)OC)c(=O)oc12)C[C@H]1CCCN2CCCC[C@@H]12 1565538762 RRGTYDJGKFXSCL-XXBNENTESA-N 486.609 3.235 10 10 JGCE Cn1ncc(I)c1CNCc1cc(Cl)cc(Br)c1O 1663126939 KOVDMURTGRNZGM-UHFFFAOYSA-N 456.509 3.436 10 10 JGCE CC[C@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861976481 IEYAKWMYLJHTLS-SANMLTNESA-N 496.627 3.290 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3cc4ccccc4[nH]3)CC2)cc1 1862075054 PMMWUXNSBYXDQC-JOCHJYFZSA-N 466.607 3.377 10 10 JGCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2 1864013865 HSIPWZFGSUPFKI-OAQYLSRUSA-N 494.596 3.000 10 10 JGCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864014047 MBDFNEWNVOMABH-OAQYLSRUSA-N 477.565 3.309 10 10 JGCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCCC[C@@H]1C)[C@H]2c1ccc(O)c(O)c1 1865034542 YVAVVXKOHBAKHI-NHYWBVRUSA-N 466.460 3.429 10 10 JGCE CCCn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871259279 CCSLCOXBXDVLDP-UHFFFAOYSA-N 464.566 3.491 10 10 JGCE CCn1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873546383 NEWGMCMKOLJTLL-RTBURBONSA-N 478.597 3.036 10 10 JGCE NC(=O)Cn1cc(C=C2C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c2ccccc21 2297342238 GXWHMXLEKUHNQM-UHFFFAOYSA-N 473.341 3.265 10 10 JGCE CC1=NN2C(=N)C(=Cc3ccc(OCc4cc(=O)n5nc(C)sc5n4)c(Cl)c3)C(=O)N=C2S1 2297350781 SYJCUCUIUPVVPE-UHFFFAOYSA-N 499.965 3.331 10 10 JGCE CC[C@H](C)N1C(=O)C(=Cc2c(N3C[C@H](C)O[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 2314400245 LRKLJLTYHJXQEF-KKUMJFAQSA-N 458.609 3.308 10 10 JGCE COc1ccc(C=C2SC(=S)N([C@@H]3CC(=O)N(c4ccccc4)C3=O)C2=O)cc1OC 2314832548 JCOIOEBKNVFJCV-OAHLLOKOSA-N 454.529 3.237 10 10 JGCE CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl 13313642 CYMVSZRPBBVVBZ-UHFFFAOYSA-N 459.351 3.349 10 10 JGCE CCCn1c(N2CCCCC2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O 39989970 XKRTVUZXNRUWJH-ATVHPVEESA-N 474.608 3.105 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cc(C)n(-c4ccccc4F)c3C)C(=N)N21 96460564 DMKUHSDSAPMRMT-NONNEFQTSA-N 459.528 3.245 10 10 JGCE Cc1cc(CCNC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(CC2CC2)C3=O)c(C)n1-c1ccccc1 727944200 LRGQLXRXPMKTKM-UHFFFAOYSA-N 484.556 3.398 10 10 JGCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)O)c(OCC)c3)C2=O)c1 1083978068 PYINRMRWLOILFC-BOPFTXTBSA-N 498.488 3.013 10 10 JGCE CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3cccnc3)n2CCCSc2nccs2)C1 1705964029 FOOACYMFFYSWKQ-IBGZPJMESA-N 471.656 3.207 10 10 JGCE CC(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(N(C)C)cc2C)CC1 1706000726 TWLXODACUZMZFV-DHIUTWEWSA-N 468.646 3.288 10 10 JGCE NS(=O)(=O)c1ccc(CCN2C(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1 1858590828 KYDQROUDCSTPBR-MHWRWJLKSA-N 483.980 3.340 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)Cc3cc(OC)ccc3Cl)CC2)cc1 1861899288 NZGWKWFNXGDLNE-HSZRJFAPSA-N 471.985 3.240 10 10 JGCE COCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc3ccccc23)[nH]1 1871727725 RYWHLRNOBAKGOR-UHFFFAOYSA-N 485.592 3.006 10 10 JGCE C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200959912 ZCYYKGPJVDBMET-DZFGPLHGSA-N 469.582 3.170 10 10 JGCE COc1cc([N+](=O)[O-])cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c1O 2294118750 WZKOPJLNIFERRZ-UHFFFAOYSA-N 476.239 3.046 10 10 JGCE C[C@@H](Oc1ccccc1Cl)C(=O)N(Cc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 33478747 WMLXMVLELQDGLY-APWZRJJASA-N 450.988 3.389 10 10 JGCE Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2C(C)(C)CO[C@H]3c2ccc(O)c(O)c2)c1 35178714 DCZHJNTXOSMQDE-QHCPKHFHSA-N 461.518 3.280 10 10 JGCE CCN(CC)c1ccc(CN(C[C@@H](O)COc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 40316102 IHLQQTPTJFGCSK-DHIUTWEWSA-N 464.603 3.101 10 10 JGCE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@@H](C(=O)NCCc4ccccn4)[C@@H]3C2)cc1 169677430 DGAYLVOMRTUMPR-VPUSJEBWSA-N 472.589 3.325 10 10 JGCE CC(=O)N(C)c1ccc(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 1561205828 JPWDRRNXZHBGJI-UHFFFAOYSA-N 453.511 3.218 10 10 JGCE CC(=O)N1CCC[C@@H](Cn2c(N(C)Cc3ccc(N4CCOCC4)cc3)nnc2C(C)(C)C)C1 1722768534 SWRZTTQNZBSPNI-JOCHJYFZSA-N 468.646 3.307 10 10 JGCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864013921 IZJMCFDEKJPKPF-OAQYLSRUSA-N 478.549 3.157 10 10 JGCE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864018327 INCNWRUGRMOTLM-HXUWFJFHSA-N 466.513 3.263 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCc4c(C)noc4C)cc3)CC2)cc1 1872723705 AEBJTGMDGQSGFK-UHFFFAOYSA-N 457.552 3.390 10 10 JGCE COc1cc(C=C2SC(=S)N(CCCCCC(=O)NCCCC(=O)O)C2=O)cc(OC)c1O 2314837810 WYVNQBLLBPOTNX-UHFFFAOYSA-N 496.607 3.152 10 10 JGCE COc1cc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)ccc1OCC(=O)O 2314930876 AJIVZVZBQAGPNR-UHFFFAOYSA-N 478.935 3.358 10 10 JGCE Cc1ccc(OCCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)cc1 96459828 FQDWRIORRPLQFF-IJFTXDGJSA-N 498.586 3.464 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(C(=O)NCC(C)(C)C)cc3)cc2)CC1 1616252637 UQIMDCBEJHXGTA-UHFFFAOYSA-N 450.583 3.061 10 10 JGCE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1705830222 LHUDEFNBXRLMNI-OAQYLSRUSA-N 455.603 3.490 10 10 JGCE CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CNCc1ccc(N(C)C)cc1 1860716250 AWWFNLRKXQYJQZ-UHFFFAOYSA-N 456.587 3.115 10 10 JGCE CCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1 1864009740 CQOAURORKIGBKF-NRFANRHFSA-N 478.549 3.465 10 10 JGCE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccccc3)CC1)[C@H]2c1ccc(O)c(O)c1 1865029377 LVBTVOFHVRUTBY-QHCPKHFHSA-N 489.576 3.056 10 10 JGCE CC[C@@](C)(NC(=O)[C@H](c1cccnc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867278914 CQEPQGPLUBFBHE-NEKDWFFYSA-N 484.556 3.383 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)Cc3nc(-c4cccc(F)c4)oc3C)CC2)cc1 1868636835 MBRFKPWQGBJFKN-QGZVFWFLSA-N 480.540 3.194 10 10 JGCE Cc1cccc(Cn2nc(C(=O)N(C)C)c(I)c2C(F)(F)F)c1O 2079233307 RYQYNTBUZJRUEU-UHFFFAOYSA-N 453.202 3.271 10 10 JGCE COc1ccccc1-n1c(C)cc(C=C2C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c1C 2297352578 CPCHOMDNZCJXFG-UHFFFAOYSA-N 464.551 3.012 10 10 JGCE Cc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)cc1C 20207500 JSVVNTCJOINCHD-HRGNJQJKSA-N 498.586 3.383 10 10 JGCE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4ccccc4n3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 59447094 LXRWTVPRMOYHTE-OWXSRONMSA-N 498.608 3.413 10 10 JGCE CC[C@H](C)N1C(=O)/C(=C\c2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC1=S 102431075 FCCZKXYOUQTQDB-XOAFGZPJSA-N 468.608 3.393 10 10 JGCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)OCc3ccccc3)cc2)cc1 1858960620 JVTNPNXZWMMXJH-UHFFFAOYSA-N 455.492 3.173 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)/C=C/c3ccc(F)cc3)CC2)cc1 1861953231 OKGLCAWXIFXBKV-NHTJFMIFSA-N 455.555 3.098 10 10 JGCE C=Cc1ccccc1OCC(=O)N[C@](C)(CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869050838 IBOXOHMZKFKVBC-AREMUKBSSA-N 451.567 3.351 10 10 JGCE COc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)C2=O)cc1 1874017778 WFBLTIURGYIVSA-OAQYLSRUSA-N 483.480 3.314 10 10 JGCE CSc1ccc(C=C2SC(=O)N(CCNC(=O)Cn3c(=O)oc4ccccc43)C2=O)cc1 2040437325 QFNWLRURRGONOU-UHFFFAOYSA-N 469.544 3.169 10 10 JGCE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1O 2297344553 LAYZUYWUGXAEHF-UHFFFAOYSA-N 451.660 3.483 10 10 JGCE Cc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)cc1C 2297345872 JSVVNTCJOINCHD-UHFFFAOYSA-N 498.586 3.383 10 10 JGCE COCCN1C(=O)/C(=C\c2c(NCc3ccco3)nc3c(C)cccn3c2=O)SC1=S 1834165 ZKJOZOHWHAIQIR-LFIBNONCSA-N 456.549 3.056 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 11796475 UZPHCISEZAOQQI-UHFFFAOYSA-N 473.639 3.265 10 10 JGCE COc1ccc(C2=NN(C(=O)/C=C3/SC(=O)NC3=O)[C@@H](c3ccc(N(C)C)cc3)C2)cc1 101453936 AZYPBEQUSWESEJ-CVNFFVDQSA-N 450.520 3.306 10 10 JGCE COC(=O)c1ccc(S(=O)(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCCC3)cc1 747849036 TVLBXZKTTYNXGI-OAHLLOKOSA-N 478.592 3.123 10 10 JGCE O=C(COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1)Nc1ccccc1 1081105027 HHYIBBMMWAMSAH-KGENOOAVSA-N 457.442 3.076 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)Cc3ccc(Cl)cc3)CC2)cc1 1861960141 HLMYNVBHBKUGNL-NRFANRHFSA-N 459.999 3.141 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@@H]3CC(=O)c4ccccc43)C(C)C)CC2)cc1 1869033417 PNCKGWDNYSZOPJ-SIBVEZHUSA-N 463.578 3.245 10 10 JGCE CCN=c1nc(Nc2ccc(N3CCCC3)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871676152 LKCAXZIBSUCULH-UHFFFAOYSA-N 474.613 3.404 10 10 JGCE CCn1c(C(=O)NCc2ccncc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873570449 UKMGHRVOOVPFSF-UHFFFAOYSA-N 471.565 3.111 10 10 JGCE O=C(Cn1cnc2c(N3CCCC3)nc(Cl)nc21)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017301 NKLCYULXMCYDCW-UHFFFAOYSA-N 486.919 3.494 10 10 JGCE Cc1c(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)c(N2CCN(C)CC2)n(C)c(=O)c1C#N 2354139 CXEOOZSMSWYTPO-JPOGYNCRSA-N 493.658 3.280 10 10 JGCE COc1ccc(N2CCN(C(=O)C3CCN(CC(=O)Nc4ccc(C)c(C)c4)CC3)CC2)cc1 9069447 ZCKYTBBSJRTCLS-UHFFFAOYSA-N 464.610 3.311 10 10 JGCE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl 16974964 WJIFYVJKHHPOSS-UHFFFAOYSA-N 491.419 3.488 10 10 JGCE CC[C@@H](NC(=O)[C@H]1CCCN(Cc2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862005966 XSFIWWGBRDNYLB-JYFHCDHNSA-N 478.637 3.151 10 10 JGCE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N3CCCCC3)CC1)=C(N)O2 1865035291 QBPXMTHBSYOIEU-QFIPXVFZSA-N 495.624 3.048 10 10 JGCE COc1cccc(C(=O)N[C@@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867379927 XUAIAQLIVPLSLT-YADARESESA-N 452.599 3.223 10 10 JGCE COCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2)C1=O 2053498518 ZFCOQXPILWGZOH-UHFFFAOYSA-N 452.561 3.154 10 10 JGCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 2314764416 BSPYUKCNBOCYKD-UHFFFAOYSA-N 469.588 3.480 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(=O)C3CCC3)CC2)cc1 21871112 FGLVBHXEWUMRSA-SFHVURJKSA-N 469.607 3.284 10 10 JGCE Cc1ccc2nc(N3CCOCC3)c(/C=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 33803770 UAPVUOKQAQGIEA-XDHOZWIPSA-N 496.589 3.380 10 10 JGCE CN1CCN(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccccc3)SC2=S)CC1 35519854 YXCBYUFRXZBNHM-HKWRFOASSA-N 468.604 3.068 10 10 JGCE COc1ccc(N2C(=O)/C(=C3/C(=O)N(CN4CCOCC4)c4ccccc43)SC2=S)cc1 38204775 DJLGJKKQBIRWGD-VXPUYCOJSA-N 467.572 3.108 10 10 JGCE CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC 59533398 CPCVVZYFJNXKRE-SXGWCWSVSA-N 472.881 3.265 10 10 JGCE CN(C)c1ccc([C@@H]2N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]23)cc1 248207809 BUOYHMCJXVIIDO-AMZZYFJHSA-N 488.588 3.344 10 10 JGCE CN(C)CCNC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 586693001 QZPZVUSADURUFG-UHFFFAOYSA-N 456.502 3.397 10 10 JGCE CCn1cccc(C(=O)N2CCN(c3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3)CC2)c1=O 1860900650 IFZWJBDHYYGEEN-UHFFFAOYSA-N 473.577 3.149 10 10 JGCE Cc1cc(C)n(-c2ccc3nnc(CCC(=O)Nc4cccc5c4C(=O)c4ccccc4C5=O)n3n2)n1 1874016291 FFLSBKRQFMUHAV-UHFFFAOYSA-N 491.511 3.274 10 10 JGCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(C)C)C3=O)c(NC[C@@H]3CCCO3)nc12 2053511707 FUIIZXQGBHLAHF-HNNXBMFYSA-N 458.609 3.451 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C 2200951310 KMEOJRVSFQXJBQ-IRXDYDNUSA-N 479.574 3.049 10 10 JGCE COc1ccc(C=C2C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1I 2294199244 HXOFPHJOGUPQGR-UHFFFAOYSA-N 482.274 3.270 10 10 JGCE CCOC(=O)c1ccc(N2NC(=O)C(=Cc3ccc(OC(=O)c4ccco4)c(OC)c3)C2=O)cc1 2297365221 QALIHEAITYRYDK-UHFFFAOYSA-N 476.441 3.146 10 10 JGCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc([N+](=O)[O-])ccc3N3CCCCC3)C2=O)cc1 2313548050 JYKMTQSZZVNGTF-UHFFFAOYSA-N 450.451 3.260 10 10 JGCE CCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc(N5CCCC5=O)cc4)n3)cc21 11857925 KRVNAACHPHSHJX-UHFFFAOYSA-N 498.586 3.483 10 10 JGCE COc1cc(NC(=O)COc2ccc(Br)cc2)c(N2CCOCC2)cc1OC 20496518 WOZJKHUZUFIYGE-UHFFFAOYSA-N 451.317 3.320 10 10 JGCE CCOC(=O)CCN1C(=O)/C(=C/c2ccc(OCC(=O)N(CC)CC)cc2)SC1=S 206843166 KYQMCKPQLMPZBO-LGMDPLHJSA-N 450.582 3.088 10 10 JGCE CC[C@H](C)[C@]1(C(=O)O)N[C@H](c2cc(Br)ccc2O)[C@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]21 248272046 ZWNGVNCVXITKIE-CQSHHNAWSA-N 467.360 3.068 10 10 JGCE CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC(NC(=O)C3CCCCC3)CC2)c1 744157915 YNWBPDYAZKOGLD-UHFFFAOYSA-N 457.615 3.088 10 10 JGCE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC2)c1 1585422871 FJVGEXFNDQYCFR-KRWDZBQOSA-N 457.596 3.233 10 10 JGCE CCCC[C@@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861931098 NXSKHHQGAUWYLA-JOCHJYFZSA-N 499.608 3.358 10 10 JGCE CCCC[C@@H](NC(=O)c1ccc(OC(C)=O)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862066887 XMAXCDPNHDVFDW-XMMPIXPASA-N 467.566 3.258 10 10 JGCE CCOc1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862159292 YIFBHUZPEFTXNL-AJQOZTQRSA-N 463.578 3.447 10 10 JGCE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864008806 SLNKNYJXLALNRQ-JOCHJYFZSA-N 460.534 3.404 10 10 JGCE CCn1nc(C)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)[C@@H]2c1ccc(O)c(O)c1 1864009632 JBIGIBZUSFFQSO-WHEQGISXSA-N 494.548 3.212 10 10 JGCE CC[C@H](NC(=O)c1n[nH]c(C)c1-c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869064646 JHDWSJIYBLDXBI-QFIPXVFZSA-N 461.566 3.251 10 10 JGCE COc1ccc([N+](=O)[O-])c(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c1 2294244539 VPACPFYVNPIJPH-UHFFFAOYSA-N 462.281 3.197 10 10 JGCE O=C(O)CCCNC(=O)CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 15038594 QKBOUASNEWIOIV-RAXLEYEMSA-N 457.371 3.021 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)N(C(C)=O)CCCS4)CC2)cc1 64952134 RJXZYTIMEZHXDD-UHFFFAOYSA-N 461.609 3.055 10 10 JGCE CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(N(C)C)cc2C)[C@@H](C)C1 1540993135 GEIVBVJGVMZMQG-KRWDZBQOSA-N 467.643 3.114 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 1862298818 QNKLVEWMQGKQST-OAQYLSRUSA-N 472.929 3.210 10 10 JGCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(CC)CC)=C(N)O2 1864013349 AAHCBKMGEXZRCG-OAQYLSRUSA-N 485.629 3.200 10 10 JGCE CN1C(=O)C(C)(C)c2cc(C(=O)NCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccc21 1868161443 SMKBSUJCTMWJSB-UHFFFAOYSA-N 481.508 3.085 10 10 JGCE COCCCN1C(=O)C(=Cc2c(N3CCC(C)CC3)nc3c(C)cccn3c2=O)SC1=S 2053493173 ACCCDSZUAUEYJD-UHFFFAOYSA-N 472.636 3.477 10 10 JGCE O=C(O)COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1Cl 2294229381 ONMVHFAUIFXUBN-UHFFFAOYSA-N 495.738 3.397 10 10 JGCE O=C(CCC[C@H]1NC[C@H]2C[C@H]1CN(Cc1ccccc1)C2)NCc1ccc(N2CCOCC2)cc1 2297737267 OLVOQEVIWDKEHI-FULLSBAXSA-N 476.665 3.420 10 10 JGCE CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)ccc1O[C@@H](C)C(=O)O 2891936 DGTFBNPAADDCCX-RGZVIEDOSA-N 474.922 3.422 10 10 JGCE CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(CCOC)C1=O 102989726 QLHKKVLSMWCNPG-GHRIWEEISA-N 460.625 3.477 10 10 JGCE 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10 10 JGCE C=Cc1ccccc1OCC(=O)N[C@@](C)(CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869050839 IBOXOHMZKFKVBC-SANMLTNESA-N 451.567 3.351 10 10 JGCE C[C@@H](CNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)N(C)Cc1ccccc1 2136253938 RQQOVUNHVLMEOB-PXNSSMCTSA-N 457.571 3.170 10 10 JGCE CC(C)(C)OC(=O)NCC1(NC(=O)c2cc(O)c(O)c(O)c2)CCN(Cc2ccccc2)CC1 2188923650 NFHINVKTVZXBLO-UHFFFAOYSA-N 471.554 3.093 10 10 JGCE CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccccc3OCc3ccc([N+](=O)[O-])cc3)S2)CC1 2295976559 TVQKLOYYHXCRSC-UHFFFAOYSA-N 466.519 3.308 10 10 JGCE O=C1C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 2296727604 QOAGSYVAUINEKY-LLVKDONJSA-N 450.519 3.243 10 10 JGCE CCc1nn2c(=O)cc(COc3ccc(C=C4C(=N)N5C=CSC5=NC4=O)cc3OC)nc2s1 2297350750 MXTRVWPWRIYFFB-UHFFFAOYSA-N 494.558 3.078 10 10 JGCE CCC[C@@H](NC(=O)C=Cc1ccc(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328477511 MXMUZXQVZVBHIH-HSZRJFAPSA-N 481.593 3.359 10 10 JGCE CCC[C@@H](NC(=O)C=Cc1ccccc1[N+](=O)[O-])C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328607670 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O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 65314192 RFZLNSCYQLQFKH-XMMPIXPASA-N 471.605 3.425 10 10 JGCE O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCN(c3ccc(F)cc3)CC1)c2[N+](=O)[O-] 821699719 BZOOBTXKMROXEF-UHFFFAOYSA-N 459.433 3.472 10 10 JGCE CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N(C)C)cc2C)CC12CCCCC2 1359379904 BOCAARWBJQOVDM-UHFFFAOYSA-N 495.672 3.210 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)cc2)CC1 1447706757 DMAIDFTZORIIRI-OAQYLSRUSA-N 458.603 3.009 10 10 JGCE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(C)(C)O)C1 1508190164 MIFVDRUHGNRICV-OAQYLSRUSA-N 464.614 3.428 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3c(C)nn(-c4ccccc4)c3Cl)cc2)CC1 1638586763 ACHLEFCTZKGVKA-UHFFFAOYSA-N 451.958 3.433 10 10 JGCE CCOc1ccc(C(=O)N[C@@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862063055 WXDLNKAPFUSMKG-QHCPKHFHSA-N 471.623 3.294 10 10 JGCE COc1ccc(N2CCN(c3cc(N4C[C@H](C)O[C@H](C)C4)nc(-c4cccnc4)n3)CC2)cc1 1868002577 FPTLVPLKRFEEDM-BGYRXZFFSA-N 460.582 3.487 10 10 JGCE COCCCN1C(=O)C(=Cc2c(N3CCC(C)CC3)nc3ccccn3c2=O)SC1=S 2053497916 SGBAOKJMDQTFAR-UHFFFAOYSA-N 458.609 3.169 10 10 JGCE CCCN1C(=O)C(=Cc2c(N3C[C@H](C)O[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2296703995 HATZIGQXXXCIMR-GJZGRUSLSA-N 458.609 3.228 10 10 JGCE COC(=O)c1ccc(C=C2SC(=S)N(CCCCCC(=O)NC3=NCCS3)C2=O)cc1 2296882373 QXTJHUKDVJZHAW-UHFFFAOYSA-N 477.633 3.454 10 10 JGCE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CC(=O)O)C1=O 2314506971 HRSRPTGGJFSXEH-UHFFFAOYSA-N 467.528 3.389 10 10 JGCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3cccc(OC)c3)C2=O)ccc1OCC(=O)O 2314931335 FIMQFZACYQTAMN-UHFFFAOYSA-N 488.543 3.104 10 10 JGCE CCOc1cc(/C=C2/SC(Nc3ccccc3C(=O)OC)=NC2=O)ccc1OCC(=O)O 16916293 OTRNAIKIAPKPNI-WOJGMQOQSA-N 456.476 3.418 10 10 JGCE COc1cc(/C=C2\SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)cc(OC)c1O 16926749 PIYUYSKXGLDHBM-WCSRMQSCSA-N 461.473 3.212 10 10 JGCE CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cccn3-c3ccc(Cl)c(Cl)c3)C(=N)N21 96462695 CCGRKXBDIGNBJO-DGCNPMPUSA-N 468.347 3.405 10 10 JGCE O=C(CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Nc1ccc([N+](=O)[O-])cc1O 103036914 CQAGDMSMJICHJX-CAOOACKPSA-N 473.488 3.259 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)Nc3cccc(Cl)c3)CC2)cc1 585200773 PNWZUHFTNQQSTR-UHFFFAOYSA-N 466.991 3.012 10 10 JGCE COc1ccc(N2CCN(c3ccc(NC(=O)CCN4C(=O)c5ccccc5C4=O)cn3)CC2)cc1 1858423040 OZHUANZZBDXSRV-UHFFFAOYSA-N 485.544 3.042 10 10 JGCE CCOC(=O)c1c(NC(=O)C(=O)NC[C@H](C)NC(C)=O)sc(C)c1-c1ccc(Cl)cc1 1860758544 MZGJRJAJSCLLCT-NSHDSACASA-N 465.959 3.133 10 10 JGCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCc1ccc(OC)c(OC)c1)[C@@H]2c1ccc(O)c(O)c1 1864009134 AGZONNQVMRXIMT-JOCHJYFZSA-N 494.548 3.041 10 10 JGCE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864011021 YFXUIZOSOKAWTK-FQEVSTJZSA-N 475.530 3.059 10 10 JGCE COc1cccc2c1C(=O)N(CCCC(=O)Nc1cccc3c1C(=O)c1ccccc1C3=O)C2=O 1865835406 FWNUJHUTKGVYLT-UHFFFAOYSA-N 468.465 3.486 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4c(C)cccc4C)cn3CCO)CC2)cc1 1870490568 RFBANVOOJJEYRD-UHFFFAOYSA-N 477.605 3.367 10 10 JGCE CCCn1c(C(=O)NCCN(CC)CC)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873574334 WROOFTTVJRMOMD-UHFFFAOYSA-N 493.656 3.248 10 10 JGCE Cc1cccc(Cn2nc(C(=O)NC3CC3)c(I)c2C(F)(F)F)c1O 2079260455 DSQVLDXZBCKIFF-UHFFFAOYSA-N 465.213 3.461 10 10 JGCE O=C(O)c1cc(-c2ccc(C=C3SC(=O)N(CC(=O)N4CCOCC4)C3=O)o2)ccc1Cl 2297349326 YXYXBMWEDFBFGN-UHFFFAOYSA-N 476.894 3.193 10 10 JGCE O=C1COc2ccc(-c3csc(NS(=O)(=O)c4ccc(N5CCCC5=O)cc4)n3)cc2N1 11857921 LCPGNVXKZOLMNB-UHFFFAOYSA-N 470.532 3.069 10 10 JGCE O=C(O)CCOc1cccc(/C=C2\SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)c1 16926885 ILJLEWFOQXBUMS-APSNUPSMSA-N 473.484 3.342 10 10 JGCE Cc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCN(CCc4ccccn4)CC3)C2=O)cc1 38645419 MIUDIVAAWVKUGX-PYCFMQQDSA-N 480.659 3.368 10 10 JGCE Cc1nn(-c2ccccc2)c2nc(N(C)CC(=O)NCc3ccc(N4CCN(C)CC4)cc3)sc12 64459876 UKPJGFNPHGRYRR-UHFFFAOYSA-N 489.649 3.295 10 10 JGCE COc1ccc(N2CCN(CCCNC(=O)CC3CCN(C(=O)NC4CCCCC4)CC3)CC2)cc1 64847048 SSDHTYWPAONVPR-UHFFFAOYSA-N 499.700 3.468 10 10 JGCE COc1ccc2c(c1OC)C(=O)O[C@H]2NN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S 207329114 SVJCBNJKSIQOFD-RKCSUWQLSA-N 473.488 3.187 10 10 JGCE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)O 210458698 BEVDSHSSFOVLFQ-BOPFTXTBSA-N 458.517 3.095 10 10 JGCE CCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(OCC(=O)N(CC)CC)cc2)SC1=S 1858591835 BIBPYBUKTIOVQW-WLSWZUKCSA-N 450.582 3.388 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)Cc3cc(Cl)ccc3SC)CC2)cc1 1861896288 LPHIRWKAKDELJG-MRXNPFEDSA-N 462.015 3.467 10 10 JGCE COc1ccc(N2CCN(c3cc(N4CCC[C@@H]4CO)nc(-c4cccc(OC)c4)n3)CC2)cc1 1867992705 GHVBUNDDNUZSQU-JOCHJYFZSA-N 475.593 3.449 10 10 JGCE COc1ccc(C(=O)Oc2ccc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)cc2OC)cc1OC 20236609 WGHIUVOCFGTCQN-UPPHYFGSSA-N 463.446 3.382 10 10 JGCE COc1nccnc1NS(=O)(=O)c1ccc(N/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)cc1 106616740 FVCINIZVFKPCGV-XSFVSMFZSA-N 478.534 3.313 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCCCCN3C(=O)OC(C)(C)C)cc2)CC1 1638587025 HVIYHRUZZNJXBW-QFIPXVFZSA-N 458.603 3.151 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864019399 KBVQBXLHOIRTQP-SFHVURJKSA-N 454.914 3.330 10 10 JGCE O=C(Nc1c(F)cccc1C(=O)O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O 1865880715 UWYKHTXJENGKAY-UHFFFAOYSA-N 462.389 3.301 10 10 JGCE CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O 1873164865 WRBUUERCWXUSLF-UHFFFAOYSA-N 492.601 3.021 10 10 JGCE Cc1ccc2nc(N3CCCCC3)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 2053515857 NFEYOISISMLBIF-INIZCTEOSA-N 470.620 3.373 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C 2200951311 KMEOJRVSFQXJBQ-SJORKVTESA-N 479.574 3.049 10 10 JGCE CC(C)(C)c1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 15036219 BFPSSXMQIOIURR-PDGQHHTCSA-N 489.644 3.471 10 10 JGCE CCN(CC)c1ccc(CN(C(=O)COc2ccc(OC)cc2)[C@H]2CCS(=O)(=O)C2)cc1 54421770 KJUPZQDBGQHIIC-NRFANRHFSA-N 460.596 3.136 10 10 JGCE O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)SC1=S 101455257 TXXPZJFDLOAWHF-GULXKOIASA-N 461.473 3.164 10 10 JGCE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)NCCc3ccc(O)c(O)c3)C2=O)cc1 102429386 TXODHKQHDDXDDQ-XSFVSMFZSA-N 472.588 3.447 10 10 JGCE O=C(O)CCc1sc(NS(=O)(=O)c2ccc3c(c2)OCCO3)nc1-c1cccs1 1858070286 MUHPSDAGGBZSHB-UHFFFAOYSA-N 452.535 3.461 10 10 JGCE Cc1ccc(-n2nc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(O)cc2=O)cc1 1859616480 KZPOMMCRTUIMFS-UHFFFAOYSA-N 451.438 3.274 10 10 JGCE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864012356 YGCNCXGVJWRHFP-JOCHJYFZSA-N 496.539 3.026 10 10 JGCE Cc1ccc(Cn2nc(C(=O)NC3CC3)c(I)c2C(F)(F)F)c(O)c1 2079251711 XBNYUALOCLELGR-UHFFFAOYSA-N 465.213 3.461 10 10 JGCE CCOc1ccc(N2C(=O)C(=Cc3ccc(O[C@H](C)C(=O)O)c(OCC)c3)C(=O)NC2=S)cc1 2297347479 VNXULTMADYZUBU-CQSZACIVSA-N 484.530 3.167 10 10 JGCE COC(=O)COc1c(Cl)cc(C=C2SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc1Br 2297365994 KZBSNOACKLFMIO-QMMMGPOBSA-N 492.731 3.252 10 10 JGCE CC[C@@](C)(NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328580158 UBUHWWGTXVETLQ-RUZDIDTESA-N 466.538 3.250 10 10 JGCE O=C(CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 1767745 TYBOMLCZDASDTP-CAOOACKPSA-N 473.488 3.259 10 10 JGCE CCN1CCN(c2c(/C=C3/SC(=S)N(CCC(C)C)C3=O)c(C)c(C#N)c(=O)n2CC)CC1 33478991 DJFWTUKYCIQJAG-XSFVSMFZSA-N 487.695 3.438 10 10 JGCE COc1cccc(/C=C2/SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)c1OC 33625135 CCMPMJFAVXVNCO-LFIBNONCSA-N 450.563 3.107 10 10 JGCE CCOC(=O)CCN1C(=O)/C(=C\c2ccc(OCC(=O)N(CC)CC)cc2)SC1=S 40938139 KYQMCKPQLMPZBO-GHRIWEEISA-N 450.582 3.088 10 10 JGCE Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(C)n1-c1ccccc1 62694324 NPLHCVPQBOEWSM-UHFFFAOYSA-N 455.555 3.422 10 10 JGCE CC(=O)N1CC[C@H](CN(C)C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1 1435561430 DQWKUMFFGCVSPE-QAEAHILHSA-N 451.639 3.056 10 10 JGCE COc1ccc(N2CCN(c3cc(C(=O)N4CCN(c5cccc(C)c5C)CC4)ncn3)CC2)cc1 1858252236 PGHSOXHAZOWXJE-UHFFFAOYSA-N 486.620 3.391 10 10 JGCE CCN(CC)c1ccc(CNCC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 1860716763 AYPNYUGMVWULFT-UHFFFAOYSA-N 496.637 3.469 10 10 JGCE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864008613 OGJGQTLTTWMYAO-LJQANCHMSA-N 497.349 3.328 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)CCCc3ccc4c(c3)OCCO4)CC2)cc1 1868727828 FJGSNUKSZDOZJN-UHFFFAOYSA-N 481.593 3.033 10 10 JGCE COc1ccc(N2CCN(C(=O)Cc3nonc3OCCCOc3ccc(C)cc3)CC2)cc1 1872635640 DXYIRHBZIAWJGD-UHFFFAOYSA-N 466.538 3.126 10 10 JGCE CCCCN(CCO)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CC 1873546258 IMBPWYGKYUIAGE-UHFFFAOYSA-N 480.613 3.021 10 10 JGCE C[C@H]1C[C@H](NC(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C 2200951906 OFPWLSNNKLFHJD-XIRDDKMYSA-N 479.574 3.048 10 10 JGCE O=C(CCCCCN1C(=O)C(=Cc2cccs2)SC1=S)NCCCN1CCOCC1 2296882546 ZBNMVKMVYUMSFC-UHFFFAOYSA-N 467.682 3.348 10 10 JGCE C[C@H](NC(=O)[C@@H](C)N1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S)C(=O)O 15048519 XDMFUPAGPGSVJT-QCBBLQOTSA-N 470.572 3.445 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)N(C)Cc3ccccc3N3CCCC3)CC2)cc1 743357653 AEZZEJOBWALACP-UHFFFAOYSA-N 451.615 3.259 10 10 JGCE CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)[C@H]2C1 1630852593 GDCGAYYJGKZTFA-ORYQWCPZSA-N 450.530 3.203 10 10 JGCE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864013128 QMLVXFQQUWXCSE-FQEVSTJZSA-N 463.538 3.098 10 10 JGCE COCCn1cc(OCc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870465926 XJRAZGWMQAGGIY-UHFFFAOYSA-N 463.578 3.405 10 10 JGCE CCn1cc(OCC(=O)Nc2ccccc2F)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870755382 LSNBHIFFBOBVMU-UHFFFAOYSA-N 494.567 3.356 10 10 JGCE Cc1ccc(N2C(=O)C(=Cc3ccc(I)o3)C(=O)NC2=S)c(C)c1 2053497305 DZJSYRNFNCFAKD-UHFFFAOYSA-N 452.273 3.332 10 10 JGCE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)CCc2ccc(N)cc2)C1 2140607957 UXMMEEBJUSSUSC-HSZRJFAPSA-N 452.599 3.439 10 10 JGCE COCCN1C(=O)C(=Cc2c(N(C)C3CCCCC3)nc3ccccn3c2=O)SC1=S 2296701655 WJHQJMREBWCGTF-UHFFFAOYSA-N 458.609 3.311 10 10 JGCE C[C@@H]1[C@H](N2C(=O)C(=Cc3cccc([N+](=O)[O-])c3)SC2=S)C(=O)N(c2ccccc2)N1C 2297449945 ZMNOZDDFSPGCQV-ACJLOTCBSA-N 454.533 3.447 10 10 JGCE CC[C@H](Oc1ccccc1C=C1SC(=S)N(NS(=O)(=O)c2ccc(C)cc2)C1=O)C(=O)O 2314932112 KOLHBUDKHPEHOC-INIZCTEOSA-N 492.600 3.332 10 10 JGCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N([C@H](C(=O)O)C(C)C)C2=O)cc1 1858589358 OEMBJPQBJVZFPQ-FYXHJSOBSA-N 450.582 3.244 10 10 JGCE COc1ccc(N2CCN(C(=O)CNC(=O)c3c(Cl)ccc(Cl)c3OC)CC2)cc1 1861968208 MBKFTFRVQBPREB-UHFFFAOYSA-N 452.338 3.089 10 10 JGCE Cc1nc(I)c(NC(=O)Nc2ccc(N)cc2)c(I)n1 2191517612 YUUFPCXCSKDMHD-UHFFFAOYSA-N 495.062 3.220 10 10 JGCE Cc1cc(N2CCOCC2)ccc1C=C1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O 2297365488 LZVHRLIYINIJOG-UHFFFAOYSA-N 486.391 3.425 10 10 JGCE CCOc1cc(C=C2SC(=S)N(NC(=O)Cc3ccccc3)C2=O)ccc1OCC(=O)O 2314934818 KKOBBNFWHWWLGI-UHFFFAOYSA-N 472.544 3.024 10 10 JGCE COC(=O)c1ccc(N2C(=O)N=C(O)/C(=C/c3cc(Cl)c(OCC(=O)O)c(OC)c3)C2=O)cc1 2818655 ORACNFSFKCAQQN-AUWJEWJLSA-N 488.836 3.105 10 10 JGCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@H]3C=CC[C@H]32)cc1O 14457181 DYWLABLAYGYRNE-GLDPYIMESA-N 455.580 3.163 10 10 JGCE COc1cc(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)cc(Br)c1OCC(=O)O 33409621 YUVVAOQNMNRTQF-NTUHNPAUSA-N 475.251 3.428 10 10 JGCE CCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O 39989892 YTQZEBGAGCDFJC-ATVHPVEESA-N 474.608 3.105 10 10 JGCE Cc1cc(-n2c(C)cc(/C=C\C(=O)N3C[C@H](C(=O)N4CCOCC4)Oc4ccccc43)c2C)no1 96920886 RTHAJDGQKQRHRP-UFTUAFODSA-N 476.533 3.057 10 10 JGCE COC(CNC(=O)Nc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1)OC 586616396 CSEFGYPWMNBTIG-UHFFFAOYSA-N 473.485 3.455 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)cc2)CC1 1138228574 DMFHVCBAHDKXIQ-UHFFFAOYSA-N 454.958 3.065 10 10 JGCE O=C(C[C@H]1CCN2C[C@H]1C=CCOc1ccccc1CN(Cc1ccccc1O)CC2=O)NC1CC1 1614976745 XTUSAADJLZQCBE-FGZHOGPDSA-N 489.616 3.476 10 10 JGCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCc1nc3ccccc3[nH]1)[C@H]2c1ccc(O)c(O)c1 1864021228 NPTUTZFGUQNBGL-NRFANRHFSA-N 488.548 3.154 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCCCO)nc(Nc4ccc(C(C)C)cc4)[nH]3)CC2)cc1 1871505372 VKUJBUPGEIWQLK-UHFFFAOYSA-N 477.613 3.290 10 10 JGCE COc1ccc(N2CCN(c3nc(=NC[C@H]4CCCO4)[nH]c(=Nc4ccc(C)cc4C)[nH]3)CC2)cc1 1871603922 PPHBOPKMWMCWEO-HSZRJFAPSA-N 489.624 3.002 10 10 JGCE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@H]1C[C@H](N)CCN1C(=O)OC(C)(C)C 1952401174 ISFQGJIBIJXQET-BRWVUGGUSA-N 451.564 3.260 10 10 JGCE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)Cc3ccccc32)=C[C@@H]1O 2201009824 YTLXPVSESIJAMB-HBFSDRIKSA-N 473.570 3.053 10 10 JGCE CC[C@H](C)N1C(=O)C(=Cc2c(N3C[C@@H](C)O[C@H](C)C3)nc3ccccn3c2=O)SC1=S 2314400248 LRKLJLTYHJXQEF-RRFJBIMHSA-N 458.609 3.308 10 10 JGCE CCc1ccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(CC(=O)O)C2=O)cc1 2314504370 JQANOCJKSGAZDZ-UHFFFAOYSA-N 467.528 3.335 10 10 JGCE C[C@H](C(=O)OC1CCCCC1)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326944836 MVCDILFTTVHMHA-CYBMUJFWSA-N 488.587 3.344 10 10 JGCE C/C(NCc1ccc(S(N)(=O)=O)cc1)=C1\C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 20287976 IGZMNVGNLDWDKV-CJLVFECKSA-N 464.522 3.288 10 10 JGCE COc1cc(/C=C2/SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)cc(OC)c1O 210233244 PIYUYSKXGLDHBM-PJQLUOCWSA-N 461.473 3.212 10 10 JGCE CC1CCN(S(=O)(=O)c2ccc(C(=O)CNC[C@H](c3ccc(N(C)C)cc3)N(C)C)cc2)CC1 257642384 PNQYFEDMKSXGKH-RUZDIDTESA-N 486.682 3.248 10 10 JGCE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864011710 KHFKSKTYRFUUOM-FQEVSTJZSA-N 452.486 3.009 10 10 JGCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864014289 RDVFFOVENQMXGC-HXUWFJFHSA-N 472.586 3.139 10 10 JGCE O=C(CC[C@H]1NC(=O)N(CCc2cccc(F)c2)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017335 OOZJJYSOXUENSE-JOCHJYFZSA-N 499.498 3.483 10 10 JGCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(O)c(I)c1 2294095328 PUQVTTKWGNPMPE-UHFFFAOYSA-N 468.634 3.317 10 10 JGCE COc1ccc(N2CCN(c3ncc4c(n3)CCN(Cc3ccc5c(c3)OCCO5)C4)CC2)cc1 21039499 AXVCEJBZPQRZNZ-UHFFFAOYSA-N 473.577 3.141 10 10 JGCE CCc1ccc(N2C(=O)[C@@H]3[C@H](c4cc(Br)ccc4O)N[C@](C)(C(=O)O)[C@@H]3C2=O)cc1 252020907 YIRNOHVHXXNZFZ-ORGXJRBJSA-N 473.323 3.011 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)COc3ccc(Cl)c(C)c3)CC2)cc1 1862192833 MQJWASIWAYHSEM-UHFFFAOYSA-N 459.974 3.279 10 10 JGCE COc1ccc(N2CCN(c3nc(NC(=O)COc4c(C)ccc(C)c4C)n(C)n3)CC2)cc1 1869969557 QIOQVTHNYBCICW-UHFFFAOYSA-N 464.570 3.093 10 10 JGCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(C)C)C3=O)c(N3C[C@@H](C)O[C@H](C)C3)nc12 2053493381 WWKMLQYDPQNIEK-HZPDHXFCSA-N 472.636 3.474 10 10 JGCE CCOCCCN1C(=O)C(=Cc2c(N3CCCCC3)nc3ccccn3c2=O)SC1=S 2296704030 KRRDYKOYWSAPST-UHFFFAOYSA-N 458.609 3.313 10 10 JGCE CCN1C(=O)C(=CNCCS[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)SC1=S 2297616611 MSFBGRSPPMNBDA-AWEZNQCLSA-N 470.041 3.325 10 10 JGCE CCC(=O)NCCc1c(C=C2C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)[nH]c2ccccc12 2297638904 GRMAYKPMORYUAO-UHFFFAOYSA-N 476.558 3.077 10 10 JGCE Cc1ccc2nc(N3CCC(C)CC3)c(C=C3SC(=S)N(CCCC(=O)O)C3=O)c(=O)n2c1 2314400014 HSTCBXVYAQSURN-UHFFFAOYSA-N 486.619 3.305 10 10 JGCE COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)CO4)c(C)s2)c1 11857684 PXWCEKIKWPHGQX-UHFFFAOYSA-N 475.548 3.292 10 10 JGCE CCCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O 33812633 PKZIUDACWLYGGT-ZHZULCJRSA-N 485.679 3.334 10 10 JGCE Nc1ccc(NC(=O)c2cc(I)cc(I)c2O)cc1 40411904 NSQZXFXJSYSVBG-UHFFFAOYSA-N 480.043 3.436 10 10 JGCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)N=C2S1 102464297 HHORKKTUOYFIJN-UWRFPUSRSA-N 473.492 3.175 10 10 JGCE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)N[C@@H](CO)Cc3ccccc3)C2=O)cc1 103040604 LPKOVSBZYMACCU-DDNKWHRWSA-N 470.616 3.396 10 10 JGCE CCOC(=O)c1ccc(N/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1 104799353 HNBJEUKMTOOBDX-LFIBNONCSA-N 474.336 3.370 10 10 JGCE Cc1cc(OC[C@@H](O)CN(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)ccc1Cl 256037446 DEALAVJASUPACH-SFTDATJTSA-N 467.031 3.143 10 10 JGCE CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)NCc3cccc(Br)c3O)cc21 1561537346 YSWCKRJLTOSANJ-GFCCVEGCSA-N 453.358 3.493 10 10 JGCE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCSc2nccs2)CC1 1705981528 SBYDWUYWYVWXIP-UHFFFAOYSA-N 497.650 3.426 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nc(-c4ccc5c(c4)CC(=O)N5)n4ccccc34)CC2)cc1 1858353885 SJEUSQCRIKDXPD-UHFFFAOYSA-N 467.529 3.467 10 10 JGCE CC[C@](C)(NC(=O)c1cccc([N+](=O)[O-])c1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861910562 CYAOIYJJFJMDCM-DEOSSOPVSA-N 454.527 3.159 10 10 JGCE C[C@@H](NC(=O)c1cc(-c2cccnc2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867163888 CAHZGHCSKPNEKF-CQSZACIVSA-N 466.453 3.269 10 10 JGCE COc1ccc(C=C2SC(=S)N([C@H](C)C(=O)NCCCCCC(=O)O)C2=O)cc1OC 2314837811 WYXDMBKXCDRDQK-CYBMUJFWSA-N 466.581 3.055 10 10 JGCE COc1cccc(C(=O)NN2C(=O)C(=Cc3ccc(O[C@H](C)C(=O)O)cc3)SC2=S)c1 2314929932 UVDAPJXVPZCLAR-GFCCVEGCSA-N 458.517 3.093 10 10 JGCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1O 59533546 XUXBEDPJXYCIMP-SDQBBNPISA-N 498.660 3.325 10 10 JGCE COc1ccc(-c2nnc(N/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)s2)cc1 101350253 XYNQUMQKFWRBNK-XNTDXEJSSA-N 455.883 3.446 10 10 JGCE CCOC(=O)c1ccc(NC2=NC(=O)/C(=C/c3ccc(OCC(=O)O)c(OC)c3)S2)cc1 210456047 RWPLMLFGSQEIBT-WQRHYEAKSA-N 456.476 3.418 10 10 JGCE CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)C1 823027205 FMTHTGWNNGCHKV-CABCVRRESA-N 497.931 3.462 10 10 JGCE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1705539983 JNSVSSPQNFYIFP-REWPJTCUSA-N 453.587 3.141 10 10 JGCE CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1864012132 RVHKAVDIQYPQIF-JOCHJYFZSA-N 496.539 3.028 10 10 JGCE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NCc1cc2c(cc1O)OCO2 2140778590 QDFRSFHGSXLFLX-UHFFFAOYSA-N 467.563 3.409 10 10 JGCE C[C@H]1C[C@H](C)CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCCC(=O)O)C2=O)C1 2314399948 FKTKZZFQHWXTOM-GJZGRUSLSA-N 486.619 3.243 10 10 JGCE CCOC(=O)[C@@H]1CCCN(C(=O)c2cnn3c(O)c(Cc4cccc(Cl)c4)c(C)nc23)C1 9597718 HSEODMHDZQCQRS-MRXNPFEDSA-N 456.930 3.403 10 10 JGCE COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@@H]3C=CC[C@@H]32)c1O 14459748 CSOVSSQGGNMRKH-IEGUWTFLSA-N 455.580 3.163 10 10 JGCE COc1cc([C@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O 14468619 PFIVCFVWHYGMQR-ISJBWFOZSA-N 497.617 3.383 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(=O)C3CCC3)CC2)cc1 33077447 YJOFRFSKGVKCMB-UHFFFAOYSA-N 469.607 3.285 10 10 JGCE CC[C@H](NC(=O)c1ccc2oc(O)nc2c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867135050 WUDPBYWBSVOQJX-KRWDZBQOSA-N 469.453 3.456 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4n[nH]c(=N)s4)cn3CCC(C)C)CC2)cc1 1870578286 IQHBUCCJXJNXNE-UHFFFAOYSA-N 498.653 3.068 10 10 JGCE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3C[C@H](C)O[C@H](C)C3)ncnc21 1873547014 FXSRSRYTCWZKSC-KDURUIRLSA-N 478.597 3.036 10 10 JGCE CCOC(=O)c1cnn(Cc2c(O)cccc2Br)c1I 2070376596 RPQALGNEYLMKQQ-UHFFFAOYSA-N 451.058 3.181 10 10 JGCE CCc1nn([C@@H](c2ccc(OC)cc2O)C2CCC2)c(I)c1C(N)=O 2079979646 SJPGTPVORBRXJO-MRXNPFEDSA-N 455.296 3.253 10 10 JGCE O=C(CCN1C(=O)C(=Cc2cccs2)SC1=S)N1CCN(CCc2ccccn2)CC1 2296551081 QZABIYUQBLMUBI-UHFFFAOYSA-N 472.661 3.121 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)CC2)cc1 3419678 AZIHPYZFIWTADJ-CYBMUJFWSA-N 462.333 3.335 10 10 JGCE COc1cc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)c(N2CCOCC2)cc1OC 20496616 IAULDYXMWROJGT-UHFFFAOYSA-N 459.568 3.454 10 10 JGCE COCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(OC)cc2)C1=O 33376314 ZPJWMZNHVBWURT-CPNJWEJPSA-N 496.614 3.471 10 10 JGCE COc1ccc(N2CCN(c3ccc(N4C(=O)[C@@H]5[C@@H](C4=O)[C@H]4C=C[C@H]5C4)cc3[N+](=O)[O-])CC2)cc1 102785476 SUCAZVVEPOLVMW-KTIFSJKTSA-N 474.517 3.242 10 10 JGCE Cc1cc(=O)oc2cc(O[C@H]3O[C@@H]4CO[C@@H](c5ccccc5)O[C@@H]4[C@H](O)[C@@H]3N=[N+]=[N-])ccc12 110345788 MYWUUBHOPGUEKN-RRWKQDFOSA-N 451.435 3.359 10 10 JGCE C[C@H]1CN(c2oc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)nc2C#N)C[C@@H](C)O1 213216555 CYIRMLFWSOMBCE-DSBGZINDSA-N 484.559 3.290 10 10 JGCE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c1 746430620 MSBLADHCSHCPTL-UHFFFAOYSA-N 467.591 3.324 10 10 JGCE C[C@H]1CCc2c(sc(NC(=O)C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c2C(N)=O)C1 1860747677 RYTUBZAZOPFLOQ-LBPRGKRZSA-N 487.537 3.324 10 10 JGCE CCOC(=O)c1c(NC(=O)C(=O)NCCCC(=O)O)sc(C)c1-c1ccc(Cl)cc1 1860758618 JFDJQVHZCMIJPR-UHFFFAOYSA-N 452.916 3.473 10 10 JGCE CCC[C@@H](NC(=O)c1ccc2nc(CC)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861888730 BPECVLYAPFHITF-JOCHJYFZSA-N 463.582 3.381 10 10 JGCE CC[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1C(=O)c2cccc(OC)c2C1=O 1865842189 XDJKNFCDRWCRDM-LJQANCHMSA-N 468.465 3.484 10 10 JGCE COc1cccc(C(=O)N[C@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867379926 XUAIAQLIVPLSLT-NTKDMRAZSA-N 452.599 3.223 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCc4ccccn4)[nH]c(=Nc4cccc(C)c4C)[nH]3)CC2)cc1 1871593933 JAEWHXZGIPEIEA-UHFFFAOYSA-N 496.619 3.418 10 10 JGCE COCCN1C(=O)C(=Cc2c(NCc3ccco3)nc3c(C)cccn3c2=O)SC1=S 2053497196 ZKJOZOHWHAIQIR-UHFFFAOYSA-N 456.549 3.056 10 10 JGCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC(=O)O)c(OC)c3)C2=O)cc1 2294124597 BVKMFBLZEPCEHG-UHFFFAOYSA-N 458.854 3.041 10 10 JGCE COc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)cc1OC 2297263705 LPPFSPGLCYADIA-UHFFFAOYSA-N 450.563 3.107 10 10 JGCE CC(C)CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OC(=O)c4ccco4)cc3)C(=O)N=C2S1 2297346531 XHJQMCVZDCXPEX-UHFFFAOYSA-N 486.531 3.146 10 10 JGCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3F)C2=O)ccc1OCC(=O)O 2314932659 NWFPNFMLSKEKBT-UHFFFAOYSA-N 476.507 3.234 10 10 JGCE COc1ccc(N2CCN(C(=O)Cc3csc(NC(=O)NCc4cccs4)n3)CC2)cc1 9650720 MEULUPVFVJOJAY-UHFFFAOYSA-N 471.608 3.426 10 10 JGCE CC(C)N1C(=O)/C(=C\c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 33600748 HITHANKOPCUWQM-YPOUMIDOSA-N 466.588 3.450 10 10 JGCE O=C(CN1C(=O)/C(=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21)Nc1ccccc1 33730085 ZXZXIEMSMKHZHH-FVGNFYTDSA-N 479.583 3.422 10 10 JGCE CCCCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 33812705 QNSNKLHTJJEEOX-MOSHPQCFSA-N 487.695 3.438 10 10 JGCE Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@@H]32)cc1 142553302 ZKMGVGBYVFYTKR-ZRBLBEILSA-N 481.460 3.419 10 10 JGCE Cc1c(N2C(=O)/C(=C/c3ccc(OCC(=O)O)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C 210411295 RVHKOLWHJGALOC-PDGQHHTCSA-N 481.555 3.354 10 10 JGCE COc1cccc(C(=O)NN2C(=O)/C(=C/c3ccccc3OCCC(=O)O)SC2=S)c1 210439724 BVJFMAUBNUBMTD-ATVHPVEESA-N 458.517 3.095 10 10 JGCE COc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3nccs3)C2=O)cc(OC)c1O 210708696 GVCKCPJJRLRNBF-UKTHLTGXSA-N 451.551 3.096 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3ccccc3Br)CC2)cc1 1861915249 GUAUPVQBCNZYDX-HXUWFJFHSA-N 490.423 3.322 10 10 JGCE COc1ccc(N2CCN(C(=O)CNC(=O)c3ccc4nc(-c5ccccc5F)[nH]c4c3)CC2)cc1 1862093259 NLWBNLCZWYTCDA-UHFFFAOYSA-N 487.535 3.456 10 10 JGCE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864010568 NTTNWDKNXCUUHM-XCLFUZPHSA-N 498.967 3.081 10 10 JGCE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864012357 YGCNCXGVJWRHFP-QFIPXVFZSA-N 496.539 3.026 10 10 JGCE CCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864018266 HFQRKEATXUFDDS-FQEVSTJZSA-N 463.538 3.242 10 10 JGCE O=C(C[C@@H]1NC(=O)N(CCc2ccc(F)cc2)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017818 XQLQYBRYNCUKON-NRFANRHFSA-N 485.471 3.093 10 10 JGCE O=C(O)COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl 2313545921 NXXUHRRQOFPJDJ-UHFFFAOYSA-N 479.670 3.232 10 10 JGCE C[C@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc5c(c4)OCCO5)n3)cc2NC1=O 11857712 GEJNWMFTSVKAPG-LLVKDONJSA-N 459.505 3.102 10 10 JGCE CCN(CC)c1ccc(CN(C[C@@H](O)COc2cccc(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 40313317 VIBVTCXZSNJENT-DNQXCXABSA-N 460.640 3.270 10 10 JGCE CCC[C@@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]21 59086962 OZUIPTZHHTVEIM-VDNWNZSNSA-N 462.424 3.485 10 10 JGCE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4ccccc4n3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 59447095 LXRWTVPRMOYHTE-ZMIGGIFCSA-N 498.608 3.413 10 10 JGCE CSC1=NSC2=NC(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccccc4)cc3)C(=N)N12 96459357 KVLWPLDHOFXBLH-UMWCEBECSA-N 458.546 3.394 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)C(=N)N21 96460567 YYWGCKCUCVQYBN-VPOOPXLYSA-N 459.528 3.245 10 10 JGCE CCc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@](Cc2ccc(O)cc2)(C(=O)O)N[C@H]3c2ccccc2O)cc1 252019599 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2313562442 SCTVAOCDRARALJ-UHFFFAOYSA-N 490.379 3.327 10 10 JGCE CO[C@@H](CNC(=O)OC(C)(C)C)[C@H](CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 2327089615 AEASUDDHQRKCMU-OALUTQOASA-N 452.596 3.015 10 10 JGCE O=C(O)CCCCCNC(=O)CN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S 15036650 FIVZUWVFYAVHIX-ZROIWOOFSA-N 487.397 3.117 10 10 JGCE CN(C)c1ccc(C=c2sc(=CC(=O)C(C)(C)C)n(Cc3ccc(C#N)cc3)c2=O)cc1[N+](=O)[O-] 254771069 LINJVVSAAXZKFC-UHFFFAOYSA-N 490.585 3.028 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)Nc3ccc(Cl)c(C(=O)NC4CC4)c3)CC2)cc1 743298612 AMNVBEBFKTUTMX-UHFFFAOYSA-N 471.989 3.185 10 10 JGCE COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1O 1084366794 MIWUBQIREZEPBU-QPEQYQDCSA-N 492.269 3.289 10 10 JGCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCC(C)C)[C@H]3c2ccc(O)c(O)c2)cc1 1864008915 VAEGMJRGCYWXAF-QFIPXVFZSA-N 462.550 3.426 10 10 JGCE COc1ccc(N2CCN(c3nc(NC(=O)C(F)(F)F)n(-c4ccc(OC)cc4)n3)CC2)cc1 1869970084 NCEXMQPCTUVSGT-UHFFFAOYSA-N 476.459 3.112 10 10 JGCE O=C1C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 2053542075 UZMSHGBGCHVFDL-FCIDVOKBSA-N 461.908 3.172 10 10 JGCE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc(OC)c1OC 2295880080 VMLHIYCJVHAMSL-UHFFFAOYSA-N 450.369 3.398 10 10 JGCE COc1cc(C=C2SC(=S)N(CC(=O)Nc3ccccc3[N+](=O)[O-])C2=O)cc(OC)c1OC 2296881662 UXZNAXWTPXGDID-UHFFFAOYSA-N 489.531 3.461 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4ccccc4C)cc3)C(=N)N21 2297345432 WDEQATHERPPTEA-UHFFFAOYSA-N 498.586 3.464 10 10 JGCE CC(C)CN1C(=O)C(=Cc2c(N3C[C@H](C)O[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 2314400672 PZTIVJHQOAGXEX-GJZGRUSLSA-N 458.609 3.165 10 10 JGCE C[C@@H](Oc1cccc(C=C2SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)c1)C(=O)O 2314926227 DLOZRVAIDILSRH-DYVFJYSZSA-N 457.529 3.436 10 10 JGCE CCOc1cc(C=C2SC(=S)N(CCCN3CCOCC3)C2=O)ccc1O[C@@H](CC)C(=O)O 2314936522 ZCDCXLWYOFNTKQ-KRWDZBQOSA-N 494.635 3.251 10 10 JGCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)N=C2S1 20208322 JQUSUHKJWRFNFE-HSJXSQSUSA-N 459.528 3.245 10 10 JGCE COc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)c2C)c1 95928563 KAAAZIWZXMBBAG-PLLOTBJKSA-N 464.551 3.012 10 10 JGCE CN(C)c1ccc([C@@H](CNC(=O)CCCN2C(=O)c3ccccc3C2=O)N2CCCCC2)cc1 1858074898 WAXLWDPZUFTAIS-XMMPIXPASA-N 462.594 3.472 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c3ccccc3C)CC2)cc1 1861921761 ZBYGGAOEUVRKKF-SANMLTNESA-N 473.573 3.399 10 10 JGCE CCc1nn(CC)c2c1[C@H](c1ccco1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865318761 FZBFRVIJWHIMNF-QFIPXVFZSA-N 477.565 3.110 10 10 JGCE COc1cc(/C=C2\C(=O)N(c3ccccn3)N=C2C(F)(F)F)ccc1OCCN1CCOCC1 1865665107 BIPITDHLEAIRQV-VKAVYKQESA-N 476.455 3.150 10 10 JGCE O=C(COc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)NCc1ccco1 1870984249 CJPMYALIEOEWHN-UHFFFAOYSA-N 488.544 3.485 10 10 JGCE COc1ccc(N2CCN(c3nc(=NC[C@H](C)O)nc(Nc4ccc(C(C)(C)C)cc4)[nH]3)CC2)cc1 1871553793 TYQZFKYSEBOSES-IBGZPJMESA-N 491.640 3.463 10 10 JGCE CC(C)CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OC(=O)c4ccco4)cc3)C(=N)N21 2297345577 JDTFMHKECIOAJK-UHFFFAOYSA-N 486.531 3.146 10 10 JGCE COc1ccc(OC)c(C=C2SC(=S)N(N[C@H]3OC(=O)c4c3ccc(OC)c4OC)C2=O)c1 2314600296 YPCDSFKIUAQESC-IBGZPJMESA-N 488.543 3.296 10 10 JGCE COc1ccccc1C=C1SC(=S)N(CCCC(=O)NCCCCCC(=O)O)C1=O 2314832118 ZVYWTCBTSLFHEE-UHFFFAOYSA-N 450.582 3.438 10 10 JGCE O=C1/C(=C\c2c(N3CCSCC3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 1295060 HCJSFCOSLFZCEM-DTQAZKPQSA-N 458.634 3.392 10 10 JGCE CCOc1ccc(/C=C2/SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)cc1OC 2448604 WMTGFTUSLWUTEV-LDADJPATSA-N 464.590 3.497 10 10 JGCE CCOC(=O)N1CCN(c2cc(NCCC(=O)O)c3c4c(onc24)-c2ccccc2C3=O)CC1 3958636 VBSAWBHQPLRZNO-UHFFFAOYSA-N 464.478 3.204 10 10 JGCE COc1ccc(C)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c1C 20356696 BNDBYVCVPKZSPI-MRKXPFMVSA-N 478.578 3.320 10 10 JGCE COc1ccc(N2CCN(C(=O)C3CCN(c4ccc(-c5cccnc5)nn4)CC3)CC2)cc1 22495456 ZZFLSVWFLPVDSV-UHFFFAOYSA-N 458.566 3.112 10 10 JGCE Cc1ccc(OCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)cc1C 96459492 JCLMXLMDONVZAN-HRGNJQJKSA-N 498.586 3.383 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C(=N)N21 96460539 FENSRLUSESYYDN-WBIXSPHCSA-N 499.530 3.185 10 10 JGCE CN(C)c1ccc(CN(C[C@H](O)COc2ccc(Cl)cc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 256038183 MDQUTWAJZQMELF-PMACEKPBSA-N 487.449 3.488 10 10 JGCE CN(C)S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1cccc2c1C(=O)c1ccccc1C2=O 586234776 WQSBACHSHWESLM-UHFFFAOYSA-N 465.487 3.183 10 10 JGCE COc1ccc(N2CCN(C(=O)C[S@](=O)Cc3ccc(Br)s3)CC2)cc1 729873545 VVOAQUPLISWOSP-AREMUKBSSA-N 457.415 3.117 10 10 JGCE COc1ccc(N2CCN(C(=O)CN=c3nc(O)cc(-c4ccc(C(C)(C)C)cc4)[nH]3)CC2)cc1 1858526145 KAMRFVGLOLOJOI-UHFFFAOYSA-N 475.593 3.338 10 10 JGCE CCc1ccccc1NC(=O)CN1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860827107 SBHRWKBWCRWTRX-MRCUWXFGSA-N 495.582 3.280 10 10 JGCE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCn2ccnc2)C1=O 1873169369 LSINAWAEYBGTEQ-UHFFFAOYSA-N 488.636 3.392 10 10 JGCE Cc1cccn2c(=O)c(C=C3SC(=S)N([C@H](C)c4ccccc4)C3=O)c(NCCO)nc12 2053511214 JXJMLGXKXONFJJ-OAHLLOKOSA-N 466.588 3.370 10 10 JGCE COc1ccc(Br)c(CNC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)c1O 2227750884 MCNDKBSXODYJDS-INIZCTEOSA-N 465.344 3.291 10 10 JGCE CCOc1cccc(N2C(=O)C(=Cc3cc(Br)cc(OC)c3O)C(=O)NC2=S)c1 2294229035 ICTWHTLWJCZPRH-UHFFFAOYSA-N 477.336 3.393 10 10 JGCE C[C@H]1[C@H](N2C(=O)C(=Cc3cccc([N+](=O)[O-])c3)SC2=S)C(=O)N(c2ccccc2)N1C 2297449948 ZMNOZDDFSPGCQV-UGSOOPFHSA-N 454.533 3.447 10 10 JGCE CCOCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(C[C@@H]2CCCO2)C1=O 2314413872 JXSGEYLUMAMMGA-INIZCTEOSA-N 488.635 3.222 10 10 JGCE CC[C@@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3cccc(OC)c3)C2=O)c1)C(=O)O 2314930471 DQQGWABUJUMEJY-QGZVFWFLSA-N 472.544 3.483 10 10 JGCE COc1cc(C=C2SC(=S)N([C@H](C(=O)O)[C@H](C)O)C2=O)ccc1OCc1ccccc1 2323823542 QDRLFHLUEUCQQZ-DJJJIMSYSA-N 459.545 3.309 10 10 JGCE CC(=O)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 10016923 SGTCBWRCJZQYEB-UHFFFAOYSA-N 486.521 3.140 10 10 JGCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2ccccc2[N+](=O)[O-])N3)CC1 14478090 JQMVLGFBDOSUMM-YZZKKUAISA-N 454.552 3.357 10 10 JGCE CC(=O)N1C(=O)/C(=C2\SC(=S)N([C@H](C(=O)O)C(C)C)C2=O)c2cc(Br)ccc21 35575698 KOAJGTMPRSPOJA-BSHRGCEOSA-N 483.365 3.023 10 10 JGCE CCOc1cc(C=O)ccc1OC[C@@H](O)CN(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 40320311 AMSLRKZJUNHUGP-ZEQRLZLVSA-N 456.583 3.385 10 10 JGCE N=C1/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12 103616935 SCGXDCPYETYRRV-FNSVQNJISA-N 483.937 3.468 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)N(Cc3ccccc3)C[C@@H]3CCCO3)CC2)cc1 743362641 GRCLEZBTHNCMHF-VWLOTQADSA-N 452.599 3.208 10 10 JGCE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864018461 LLKUWYQQNLPOHC-OAQYLSRUSA-N 475.549 3.384 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1 1864023192 VJPMKJZQWKVDAK-INIZCTEOSA-N 492.429 3.331 10 10 JGCE Cc1ccc(S(=O)(=O)n2cccc2C(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)cc1 1865959833 YBVNPLVOGPXXSJ-QHCPKHFHSA-N 477.590 3.352 10 10 JGCE O=C(C[C@H]1CC(=O)c2ccccc21)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868165181 NLNRRNUKDILHRQ-OAHLLOKOSA-N 452.466 3.277 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N(Cc3cccnc3)C2=O)cc1 1873170706 MSJYAZAPAUPIKH-UHFFFAOYSA-N 469.589 3.453 10 10 JGCE CN(C[C@@]1(O)COCCN(C(=O)OC(C)(C)C)C1)c1ccc(CNC(=O)OC(C)(C)C)cc1 2106777493 UERHAJSOUMCSCE-DEOSSOPVSA-N 465.591 3.146 10 10 JGCE Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNC(=O)Nc2ccc(F)cc2)C1=O 2297506041 DVOUFIZBMNLCOC-UHFFFAOYSA-N 461.247 3.185 10 10 JGCE CCN1C(=O)C(=C2C(=O)N3c4c(cc(OC)cc42)C(CN2CCOCC2)=CC3(C)C)SC1=S 2297632324 APENEOQSVPHWJY-UHFFFAOYSA-N 485.631 3.141 10 10 JGCE COc1cc(I)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1OC 2313558113 SYTINOHFRXRUTD-UHFFFAOYSA-N 496.232 3.114 10 10 JGCE COc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)NCc3ccccc3)C2=O)cc(OC)c1O 15048983 GRRQZNBDHVDSAH-NCUBORBFSA-N 458.561 3.316 10 10 JGCE COc1cc(/C=C2/SC(=S)NC2=O)cc(Br)c1OCC(=O)N1CCCCC1 40942111 INSDKUGJXHEREH-NTEUORMPSA-N 471.398 3.338 10 10 JGCE CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(N4CCN(C)CC4)c([N+](=O)[O-])c3)C2=O)cc1 59859914 UDWQYNJIEBKVJO-XMHGGMMESA-N 479.493 3.252 10 10 JGCE CCN(CC)C(=O)c1ccccc1NC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 743313808 GBCQEVGWVOXUCB-UHFFFAOYSA-N 453.587 3.121 10 10 JGCE CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccc(N(C)C)c(F)c3)C[C@H]2C)CC1 1749839090 JFLMSPWCEVHBDI-NTKDMRAZSA-N 499.679 3.208 10 10 JGCE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864012071 QFTLVBWSVJSENS-HXUWFJFHSA-N 466.925 3.278 10 10 JGCE COc1ccc(N2CCN(C(=O)c3c[nH]c4c(OC)cc(Cl)c(OC)c4c3=O)CC2)cc1 1866442503 TTWXKVWIJBZROU-UHFFFAOYSA-N 457.914 3.170 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)c3cc(C)[nH]n3)CC2)cc1 1868759840 ZOFFAGDZZZLSKJ-XMMPIXPASA-N 493.633 3.107 10 10 JGCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 2106757275 NTVRSQXVHYQASO-INIZCTEOSA-N 463.579 3.301 10 10 JGCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(I)c3)C2=O)cc1C 2294093696 GNOOBBGKSDECLP-UHFFFAOYSA-N 462.243 3.280 10 10 JGCE CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(C)C3=O)c3ccccc32)cc1 2296539392 UAOIFPPTDPNVNB-UHFFFAOYSA-N 481.555 3.050 10 10 JGCE COc1ccc2c(c1OC)C(=O)O[C@H]2NN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S 2314600227 SVJCBNJKSIQOFD-QGZVFWFLSA-N 473.488 3.187 10 10 JGCE CCOc1cc(/C=C2/C(=N)N3C(SCC(C)C)=NSC3=NC2=O)ccc1OS(C)(=O)=O 20205604 FEFWHZNIABFBLS-TUQWILOLSA-N 482.609 3.390 10 10 JGCE CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC(NC(=O)c3ccccc3C)CC2)c1 917445685 RYRFVKJSKVAIJI-UHFFFAOYSA-N 465.594 3.130 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(C(=O)c4cccc(O)c4)cc3)cc2)CC1 1616251535 GJVHPOMMPKAXHE-UHFFFAOYSA-N 457.530 3.222 10 10 JGCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2 1865030662 OFXHWBVMCBKXKS-PGRDOPGGSA-N 498.624 3.361 10 10 JGCE COc1ccc(N2CCN(c3cc(N4CCN(c5ncccn5)CC4)nc(C(C)(C)C)n3)CC2)cc1 1867967534 ZJTAODCHOJMYJL-UHFFFAOYSA-N 488.640 3.226 10 10 JGCE O=C(O)c1ccc2c(=O)n3c(nc2c1)C(=Cc1cc2ccccc2nc1N1CCOCC1)CC3 2040461342 LILRYORFNPHOOB-UHFFFAOYSA-N 454.486 3.424 10 10 JGCE O=C([C@@H]1CN(C(=O)C=Cc2cn(Cc3ccccc3)nn2)c2ccccc2O1)N1CCCCC1 2040482792 YYQRDKQMOUSPCG-DEOSSOPVSA-N 457.534 3.146 10 10 JGCE COc1cc(C=C2C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)ccc1OS(C)(=O)=O 2297499892 LQJFCUQANYPMEH-UHFFFAOYSA-N 470.532 3.009 10 10 JGCE CN(C)c1cccc(NC(=S)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 243218289 KJDSSTFEQFSWPX-UHFFFAOYSA-N 455.005 3.236 10 10 JGCE COc1cccc([C@@H]2N[C@](Cc3ccccc3)(C(=O)O)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]32)c1O 247927327 QPJAQLRPPXKDKB-YHZQYDDPSA-N 478.545 3.045 10 10 JGCE O=C(Nc1ccc(N2CCCC2)nc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726726387 LTQGHJOJQRBFCD-UHFFFAOYSA-N 459.497 3.007 10 10 JGCE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCCSc2nccs2)CC1 1705641453 GKMDSYIEKRXNPR-UHFFFAOYSA-N 452.653 3.457 10 10 JGCE COc1ccc(N2CCN(c3cc(C(=O)N4CCN(c5cccc(C)c5)CC4)ncn3)CC2)cc1 1858251471 DTAHHXHRWNEFGK-UHFFFAOYSA-N 472.593 3.083 10 10 JGCE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864018566 OCOCOWCYOZMWQM-FQEVSTJZSA-N 464.497 3.017 10 10 JGCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCOC(C)C)[C@@H]2c1ccc(O)c(O)c1 1864023225 VZRPDXJABGCMNE-MRXNPFEDSA-N 498.502 3.205 10 10 JGCE O=C(CCc1nnc2ccc(N3CCCCC3)nn12)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017473 QOJFJULLQITVEE-UHFFFAOYSA-N 480.528 3.461 10 10 JGCE Cc1ccc2nc(NCCO)c(C=C3SC(=S)N(CCCc4ccccc4)C3=O)c(=O)n2c1 2040499468 YULVVFKFGJVLND-UHFFFAOYSA-N 480.615 3.241 10 10 JGCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)O)c(Br)c3)C2=O)cc1 2294130781 HGNDEUJASSLWOX-UHFFFAOYSA-N 473.279 3.141 10 10 JGCE CCOc1cccc(N2C(=O)C(=Cc3cn(CC(=O)OC)c4ccccc34)C(=O)NC2=S)c1 2294204903 RFDCLXPXCCDIHW-UHFFFAOYSA-N 463.515 3.044 10 10 JGCE O=C1NC(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1c[nH]c2ccc(Br)cc12 2297358820 FREQDZYSLHANNW-UHFFFAOYSA-N 468.263 3.321 10 10 JGCE COc1cc(C=C2SC(=S)N(CCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)ccc1O 2314828055 PWUOKBKSXUFZHQ-UHFFFAOYSA-N 458.517 3.329 10 10 JGCE C[C@@H](NC(=O)CCCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S)C(=O)O 2314831171 DXKGSQJTCIROED-SNVBAGLBSA-N 457.371 3.020 10 10 JGCE Cc1nn(CC(=O)NCc2ccc(N(C)C)cc2)c(=O)c2c(-n3cccc3)n(-c3cccc(F)c3)nc12 33058154 VTLJIZVZCPDENK-UHFFFAOYSA-N 499.550 3.203 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)c3cc(C(=O)N4CCCCCC4)cs3)CC2)cc1 35405500 HDERNCOXVKCWSF-UHFFFAOYSA-N 463.625 3.284 10 10 JGCE COc1cc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)N(c4ccccc4)N=C3C)cc2)nc(OC)n1 103984283 NAHJZQGZSSMJKJ-XMHGGMMESA-N 494.533 3.013 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)Nc3cc(Cl)ccc3N3CCOCC3)CC2)cc1 743277902 HPOYARNEVKLQGQ-UHFFFAOYSA-N 474.005 3.129 10 10 JGCE Cc1cccc(NC(=O)COc2cccc(/C=C3\C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)c2)c1 1081111515 FJBFRAHXWLTPCH-HYARGMPZSA-N 471.469 3.385 10 10 JGCE Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CCNCc3cc(Cl)ccc3O)cc2)n1 1860715500 XUHCNMJCKLHQLK-UHFFFAOYSA-N 475.958 3.063 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)/C=C/c3ccco3)CC2)cc1 1862270280 SWFVVVKOUJAWPB-SDQWYYNMSA-N 475.545 3.083 10 10 JGCE COc1cccc(OC)c1C(=O)N[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867362357 RSRHSAZNGKKMLQ-UGKGYDQZSA-N 482.625 3.232 10 10 JGCE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)C1=Cc1ccc(OC(=O)c2cccs2)cc1 2297314844 BLWVVROYWNYNEG-UHFFFAOYSA-N 467.528 3.421 10 10 JGCE COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)C1=Cc1ccc(N2CCCC2)cc1 2297365514 OXYVLHKRAUWZLM-UHFFFAOYSA-N 451.548 3.443 10 10 JGCE COc1cc(C=C2SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)ccc1OCC(C)C 2314842542 YNMSQECEMFHMKP-ZDUSSCGKSA-N 453.538 3.249 10 10 JGCE O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3ccn[nH]3)o2)C1 33262332 NHAHXMFWSKJLIV-FQEVSTJZSA-N 497.621 3.377 10 10 JGCE CCc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@](C(=O)O)(c2ccccc2)N[C@H]3c2ccccc2O)cc1 252000692 MIHAVJOAOLIYNR-GIRPNKPCSA-N 456.498 3.385 10 10 JGCE Cc1csc([C@H](C)NC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)n1 727842186 QEQDLVDWUMZXRS-INIZCTEOSA-N 455.563 3.268 10 10 JGCE C[C@H](NC(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)c1ccc(N2CCOCC2)cc1 731401306 LQBQWENDYSFEEU-PGRDOPGGSA-N 473.595 3.359 10 10 JGCE CCn1cc(C(=O)N2CCN(c3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3)CC2)ccc1=O 1860920979 CMNAFNRKXQGLAD-UHFFFAOYSA-N 473.577 3.149 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864017327 JTAJIUBNETVYKC-OAQYLSRUSA-N 499.527 3.185 10 10 JGCE COc1ccc(N2CCN(c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)nc(C)n3)CC2)cc1 1867988911 NQHOLXFMOQAYAF-UHFFFAOYSA-N 468.602 3.177 10 10 JGCE COc1cccc(-c2cc(C(=O)NCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)no2)c1 1868154572 SZBCOPWUTQTVND-UHFFFAOYSA-N 481.464 3.494 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(S(N)(=O)=O)cc3)C(=O)N(C(C)C)C2=O)cc1 1873164561 HOAUGXRBZFQHGJ-UHFFFAOYSA-N 492.601 3.020 10 10 JGCE Cn1c(=O)c2cc(C(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)n(Cc3ccccc3)c2n(C)c1=O 1891717727 PRXWDWPKRDZKFJ-GMAHTHKFSA-N 497.599 3.006 10 10 JGCE CCN1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccccc3)C2=O)CC1 2053505960 YDEAPELGXKDFRI-UHFFFAOYSA-N 491.642 3.238 10 10 JGCE CCNC(=O)c1nn(Cc2cccc(F)c2O)c(C(F)(F)F)c1I 2079216645 LKUCVVFTNFWYPX-UHFFFAOYSA-N 457.165 3.149 10 10 JGCE CCOc1cc(N2CCOCC2)c(OCC)cc1N=NN1CCN(c2ccc([N+](=O)[O-])cn2)CC1 2330189139 LHRGSAVAWNBTNN-UHFFFAOYSA-N 485.545 3.445 10 10 JGCE C[C@H](NC(=O)CN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S)C(=O)O 15036879 GVQDAWULXZBFEW-DZBQEORWSA-N 456.545 3.056 10 10 JGCE COc1ccc(NC(=O)c2nnc(CSCC(=O)NCc3ccc(N(C)C)cc3)s2)cc1 32987037 WGBFEZFJSFRFLE-UHFFFAOYSA-N 471.608 3.415 10 10 JGCE COc1cc(/C=C2/C(=O)NC(=O)N([C@@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc(OC)c1O 38175731 OUQWOMZFCLJOGG-DJTZAMBLSA-N 454.523 3.476 10 10 JGCE CCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O 39989936 SYARXXHCTNUKHG-UNOMPAQXSA-N 484.603 3.269 10 10 JGCE CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cccn3-c3cc(Cl)cc(Cl)c3)C(=N)N21 96462719 MQHQSBGJYQTAEI-KGCZTCBMSA-N 468.347 3.405 10 10 JGCE C[C@@H]1CCC[C@H](NC(=O)Cn2c(=O)/c(=C\c3ccc(N(C)C)cc3)s/c2=C/C(=O)C(C)(C)C)[C@@H]1C 102959220 XTUCJUIMBLKLHX-IHHURGENSA-N 497.705 3.141 10 10 JGCE Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@@H]23)cc1 105628910 ZKMGVGBYVFYTKR-XPWALMASSA-N 481.460 3.419 10 10 JGCE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CC(=O)O)C2=O)c1 213178401 CBAWWOLPDZNFCF-YBEGLDIGSA-N 467.528 3.389 10 10 JGCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3F)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 725386445 OTELZJHSTLUGKO-JOCHJYFZSA-N 465.550 3.003 10 10 JGCE CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCN(CCOc3ccc(Cl)cc3)CC2)c1 916568135 DJRGVYMLGTZIIA-UHFFFAOYSA-N 488.028 3.277 10 10 JGCE CC(=O)N(CC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccccc1 1136904193 RNORFUUWGBGNSS-QFIPXVFZSA-N 454.571 3.488 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)C[C@@H](O)c3cc(Cl)cc(Cl)c3)cc2)CC1 1616252535 SAZWXGNDGNLWCB-OAQYLSRUSA-N 450.366 3.402 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)CC2)cc1 1862211325 FGUQMVUTPIXGOG-PMACEKPBSA-N 453.583 3.439 10 10 JGCE CN(C)c1ccc([C@H](CNC(=O)CN2C(=O)COc3ccc(Cl)cc32)N2CCCCC2)cc1 1868050767 BKXUNTUBRSTGES-QFIPXVFZSA-N 471.001 3.475 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)Cc3cc(-c4ccccc4)on3)C(C)C)CC2)cc1 1868808999 DESMXDHWZQLDBH-SANMLTNESA-N 476.577 3.382 10 10 JGCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H]3CC(=O)N(Cc4ccc5c(c4)OCO5)C3)cccc21 1874180052 XKLYOUWIONBEEK-INIZCTEOSA-N 468.465 3.178 10 10 JGCE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccncc3)ncnc21 1875199476 AXKCRWLBYSXNEN-UHFFFAOYSA-N 471.565 3.429 10 10 JGCE COc1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O 2297104337 KUOBXOWTGPATGZ-UHFFFAOYSA-N 496.479 3.070 10 10 JGCE CCOCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(C[C@H]2CCCO2)C1=O 2314413873 JXSGEYLUMAMMGA-MRXNPFEDSA-N 488.635 3.222 10 10 JGCE CCC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(OCC(=O)N(CC)CC)cc2)SC1=S 2323812365 BIBPYBUKTIOVQW-MRXNPFEDSA-N 450.582 3.388 10 10 JGCE Cc1ccccc1COc1ccc(/C=C2\C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)cc1 20356639 VSYDYIBZFCGDCY-BJRGRWSZSA-N 461.547 3.483 10 10 JGCE CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1 38619607 BFKWHWLDURXGNK-XMMPIXPASA-N 476.577 3.469 10 10 JGCE C[C@@H](NC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1)C(=O)O 586691178 DFLKVWACLSRVPL-CYBMUJFWSA-N 457.442 3.309 10 10 JGCE Cc1cc(CCNC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)c(C)n1-c1ccccc1 786866835 YBPATQMPNDTSMS-QFIPXVFZSA-N 466.969 3.080 10 10 JGCE C/C(=C\C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccc1OC(F)F 1130980840 VRXBODYTUGMATK-JQIJEIRASA-N 450.507 3.243 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3coc(/C=C/C(=O)OC(C)(C)C)c3)cc2)CC1 1138230351 OWJPFUUWULDTBO-MDZDMXLPSA-N 453.539 3.233 10 10 JGCE CC(=O)N(C)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1741013397 OTHLHSSVZHXANK-JOCHJYFZSA-N 458.582 3.220 10 10 JGCE CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1864012133 RVHKAVDIQYPQIF-QFIPXVFZSA-N 496.539 3.028 10 10 JGCE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865035236 ORSYJFCPXUABBU-NRFANRHFSA-N 478.524 3.361 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@H](Cc3ccncc3)c3ccccc3)CC2)cc1 1868667680 LODSALHUEWQKGT-HFZDXXHNSA-N 472.589 3.270 10 10 JGCE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@H](C)OCC2(C)C)n1 1869097953 DCOFFSPFDQWYJD-IBGZPJMESA-N 455.603 3.004 10 10 JGCE CC[C@H](C)NC(=O)COc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870961642 JGSHVMSHQQCSOW-IBGZPJMESA-N 464.566 3.490 10 10 JGCE CCCNC(=O)COc1cn(CCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871134048 PUQFZMUYOUQWQQ-UHFFFAOYSA-N 464.566 3.491 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nonc3OCC(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1 1872676795 XAUYEVXSYWNXDO-UHFFFAOYSA-N 485.928 3.020 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873170714 NGLKASOZGZZURO-UHFFFAOYSA-N 469.589 3.453 10 10 JGCE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1 1952345847 HOFYEJOMZHJLDH-SJORKVTESA-N 451.564 3.133 10 10 JGCE COC(=O)C1=C(C)N(C)C(=O)C1=Cc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 2294034706 ZKNFZSFPCSVTMB-UHFFFAOYSA-N 492.315 3.144 10 10 JGCE O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(OCc2ccc(C(=O)O)cc2)cc1 2294095447 RJAXMPLNHONVPV-UHFFFAOYSA-N 486.436 3.359 10 10 JGCE O=c1c2cc(I)ccc2nc(C=Cc2ccccc2[N+](=O)[O-])n1CCO 2297380740 WRPQDUOLXPDYII-UHFFFAOYSA-N 463.231 3.072 10 10 JGCE CC[C@H](C(=O)OCC(C)C)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326944873 VLRNIDULPQNUBT-CQSZACIVSA-N 476.576 3.057 10 10 JGCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12 12614340 WWKMLQYDPQNIEK-VQMPLYPPSA-N 472.636 3.474 10 10 JGCE O=C(N[C@@H](Cc1cnc[nH]1)C(=O)O)c1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccccc2)cc1 38198784 VBXDMHZQIWFGDS-DZSAKIAFSA-N 495.495 3.263 10 10 JGCE CCN1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(C3CCCC3)C2=O)CC1 97441335 PIMIRSJBFHZNCN-XMHGGMMESA-N 483.663 3.289 10 10 JGCE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(\C)NCCCN2CCOCC2)cc1 103522339 UHPQVYVGKQFCPJ-PTGBLXJZSA-N 452.530 3.171 10 10 JGCE O=C(O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br 1083960232 JUFVNHPHRQCPGL-XGICHPGQSA-N 497.660 3.371 10 10 JGCE Cc1nn(C)c(C)c1CNC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860344794 GTVFBMKIYQSSLY-UHFFFAOYSA-N 466.545 3.241 10 10 JGCE CC(=O)Oc1cccc(C(=O)N[C@@H](C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867291507 NGFIUDOFPUAXFN-DFBJGRDBSA-N 480.609 3.140 10 10 JGCE CC(=O)Oc1cccc(C(=O)N[C@@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867291509 NGFIUDOFPUAXFN-UQBPGWFLSA-N 480.609 3.140 10 10 JGCE CC(C)[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200953046 MNDAFILEWCXEQU-IRXDYDNUSA-N 481.590 3.199 10 10 JGCE COc1ccc(N2C(=O)C(=Cc3cc(OC)c(OC)cc3Br)C(=O)NC2=S)cc1 2294253417 ORBDNJYLOFHXFI-UHFFFAOYSA-N 477.336 3.306 10 10 JGCE CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C(=N)N21 2297345013 HDEHXYIWSISCJT-UHFFFAOYSA-N 463.544 3.311 10 10 JGCE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc(-c2ccc3c(c2)C(=O)OC3)o1 12412766 LMQYMPQZUUCTTR-ODLFYWEKSA-N 463.471 3.071 10 10 JGCE CCOC(=O)N1CCN(C(=O)CCN2C(=O)/C(=C/C=C\c3ccccc3)SC2=S)CC1 33436679 LSNLOQOVOINKGS-BRMXFPEKSA-N 459.593 3.135 10 10 JGCE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CC(=O)O)C2=O)c1 33903891 HEANAZWSUBZIMN-XNTDXEJSSA-N 453.501 3.081 10 10 JGCE COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)Nc3cccc(F)c3)c3ccco3)CC2)cc1 38619589 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CCc1nn(C)c2c1[C@@H](c1cccs1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865331301 WTAREALCGMCKSQ-OAQYLSRUSA-N 479.606 3.096 10 10 JGCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(NCC(C)C)nc12 2296732158 AYMOISWALKDHTK-OAHLLOKOSA-N 458.609 3.451 10 10 JGCE Cc1cccc(C(=O)Oc2ccc(C=C3C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)cc2)c1 2297352760 TVOWPAASSHCSJK-UHFFFAOYSA-N 475.530 3.123 10 10 JGCE COc1cc([C@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O 14468539 BIMZDKPLJPHIAK-ZYLNGJIFSA-N 484.574 3.468 10 10 JGCE CN(C[C@@H](O)c1ccc(O)cc1)C(=O)CCN1C(=O)/C(=C\c2ccccc2F)SC1=S 102429223 SAUAHTCFKHGNJT-LSCADSNKSA-N 460.552 3.315 10 10 JGCE COCCN1C(=O)/C(=C\c2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 228959682 PXAZYCDKDNZZPM-NLTVTKDGSA-N 472.636 3.333 10 10 JGCE COc1ccc2c3c(n(C[C@@H](O)c4ccc(O)c(O)c4)c(=O)c2c1OC)-c1ccccc1C3=O 1615244116 GHCGEMFRGYWGJY-LJQANCHMSA-N 459.454 3.375 10 10 JGCE CCc1ccc(OCCCC(=O)N[C@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862229005 DJMBWBGAFUUSNS-HXUWFJFHSA-N 453.583 3.270 10 10 JGCE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NC2CC2)[C@@H]3c2ccc(O)c(O)c2)c1 1864011284 FQNXPRJRNOJOPU-JOCHJYFZSA-N 460.534 3.241 10 10 JGCE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865035500 VQMVYMUSMOKXQP-NRFANRHFSA-N 475.549 3.194 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)Cc3nc(-c4ccc(F)cc4)oc3C)CC2)cc1 1868644510 VOQIBQDATDPXPM-KRWDZBQOSA-N 480.540 3.194 10 10 JGCE COCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(Cl)c2C)[nH]1 1871492534 YNJVAUPVTRAXPR-UHFFFAOYSA-N 498.031 3.204 10 10 JGCE CCCCN=c1nc(Nc2ccc3n[nH]cc3c2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871629165 ZDHSPLHFBDHECG-UHFFFAOYSA-N 473.585 3.461 10 10 JGCE O=C(CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017787 WQEBOPKSWAFNFK-JOCHJYFZSA-N 479.492 3.052 10 10 JGCE CCOCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C[C@@H]2CCCO2)C1=O 2040499258 WAQPVZZUTIETAM-INIZCTEOSA-N 488.635 3.222 10 10 JGCE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccncc2)SC(=S)N1CCS(=O)(=O)O 2314457944 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2380170308 YVPUPVLVTXMGCK-SFTDATJTSA-N 478.634 3.331 10 10 JGCE COc1ccc(CN2C(=O)/C(=C\c3c(NCCCO)nc4ccc(C)cn4c3=O)SC2=S)cc1 2272931 MBGZMLLZVAKIIQ-XDHOZWIPSA-N 496.614 3.207 10 10 JGCE Cc1c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(N2C[C@H](C)C[C@@H](C)C2)n(C)c(=O)c1C#N 39989581 BVOHQUCGKILGPG-SDKMPEEESA-N 488.635 3.114 10 10 JGCE CCN(CC)c1ccc(CN(C[C@@H](O)COc2ccccc2C)[C@@H]2CCS(=O)(=O)C2)cc1 40313659 GVUBRUVJROQXIU-DNQXCXABSA-N 460.640 3.270 10 10 JGCE COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)Nc1cc(OC)c(OC)cc1C(=O)OC 205949075 FYYPAIWLVNHABN-LPYMAVHISA-N 485.468 3.281 10 10 JGCE Cc1cccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526316316 XDOFAOLTQWINQH-NRFANRHFSA-N 452.488 3.111 10 10 JGCE CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCSCC3)cc2)CC1 1301739197 XINHVYQORZPZSI-UHFFFAOYSA-N 456.660 3.137 10 10 JGCE CC(=O)N1CC[C@H](CN(C)c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCOCC3)cc2)C1 1749797634 DBBGKZLBHAKOAD-JOCHJYFZSA-N 468.646 3.056 10 10 JGCE COc1cc(CNCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(OC)c1OC 1860716910 KJKAKYCZIFNIOG-UHFFFAOYSA-N 460.486 3.216 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 1862291507 GMBQWCWZCYTRIZ-FQEVSTJZSA-N 490.969 3.121 10 10 JGCE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865034752 DAYUTGNAVCYBNJ-NRFANRHFSA-N 475.549 3.338 10 10 JGCE COC(=O)c1c(NC(=O)CC[C@H](N)C(=O)O)sc(C)c1-c1ccc(Br)cc1 1866021206 WVJQFRKECUXMNE-LBPRGKRZSA-N 455.330 3.403 10 10 JGCE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCN(CC(C)=O)CC2)n1 1868275571 UPDCUFNCZLZLDR-UHFFFAOYSA-N 469.545 3.269 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cccc(Cl)n3)CC2)cc1 1868580169 ZKFNTMMLQNRVCZ-QHCPKHFHSA-N 478.980 3.434 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCCC(C)C)[nH]c(=Nc4ccc5nc[nH]c5c4)[nH]3)CC2)cc1 1871628535 XWYHFZPWEGGCEO-UHFFFAOYSA-N 487.612 3.129 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCCC(C)C)[nH]c(=Nc4cccc(OC)c4)[nH]3)CC2)cc1 1871664473 RSKFAASPNZEGSF-UHFFFAOYSA-N 477.613 3.261 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)C(=N)N21 2297345642 OFFJXUXAGBADMU-UHFFFAOYSA-N 459.528 3.245 10 10 JGCE CCOc1cc(C=C2SC(NC(C)=O)=NC2=O)cc(I)c1OCC 2313543916 ROXBPBHXOGBYAD-UHFFFAOYSA-N 460.293 3.195 10 10 JGCE O=C(O)CCCCCNC(=O)CCN1C(=O)C(=Cc2cc(Cl)ccc2O)SC1=S 2314828706 WAAHCMAEIGDKDI-UHFFFAOYSA-N 456.973 3.398 10 10 JGCE CCOC(=O)c1c(C)sc(-c2c(-c3ccc(OC)c(F)c3)[nH]c3c2c(=O)[nH]c(=O)n3C)c1O 8674005 RKZSVNDPLMJEEQ-UHFFFAOYSA-N 473.482 3.289 10 10 JGCE O=C(O)CCOc1ccc(/C=C2/SC(=S)N(NS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1 16907928 UDBKJHJVTPGKOZ-LFIBNONCSA-N 498.991 3.288 10 10 JGCE CN(C)c1ccc([C@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2C(=O)/C=C2/SC(=O)NC2=O)cc1 101453875 HOIPYHOWNYOFAH-LSCADSNKSA-N 465.491 3.205 10 10 JGCE COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 205948819 FPLIEPQWZXFUOS-FYJGNVAPSA-N 483.452 3.051 10 10 JGCE CCCc1nc2ccc(C(=O)N3CCC[C@H]3C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2[nH]1 1862109645 ZTXYKSGHOVGTHB-DEOSSOPVSA-N 475.593 3.477 10 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RVKIGXNOYCMRHC-XFXZXTDPSA-N 452.248 3.262 10 10 JGCE O=C1c2ccccc2C(=O)c2cc(NC(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)ccc21 1858626149 BWMNNZYPFHANOT-UHFFFAOYSA-N 481.555 3.062 10 10 JGCE CCN(CC)CCNC(=O)c1ccc(/N=N/N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 1860480692 CGUWXDLPTKQZJW-BYYHNAKLSA-N 466.586 3.303 10 10 JGCE CCCc1nc2ccc(C(=O)N3CSC[C@H]3C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2[nH]1 1862109178 OKGCSOSTRPFHHM-QHCPKHFHSA-N 493.633 3.388 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCCCO)nc(Nc4ccc(Cl)c(C)c4)[nH]3)CC2)cc1 1871665332 RZSTVMAQRNFPKL-UHFFFAOYSA-N 484.004 3.128 10 10 JGCE CSCC[C@@H](C(=O)O)N1C(=O)C(=C2C(=O)Nc3ccc(Br)cc32)SC1=S 2295924276 NRNVVHFJHOAZGF-JTQLQIEISA-N 473.395 3.179 10 10 JGCE C[C@@H](Oc1cccc(C=C2SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)c1)C(=O)O 2314926485 KGZOTKMNDLLBGM-SNVBAGLBSA-N 473.484 3.341 10 10 JGCE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(NS(=O)(=O)c2ccccc2)C1=O)C(=O)O 2314933079 SHVXBIPVASVBDQ-OAHLLOKOSA-N 478.573 3.023 10 10 JGCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2ccc([N+](=O)[O-])cc2)N3)CC1 14550818 IPOPEDBCTCTDJW-MZKRTTBSSA-N 454.552 3.357 10 10 JGCE CC(=O)N(C)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)CC1 1508170511 HNCIBYQYKDBIGB-UHFFFAOYSA-N 472.609 3.047 10 10 JGCE CC(=O)N(C)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1508182742 KDUYURPAPYTVBK-UHFFFAOYSA-N 451.550 3.041 10 10 JGCE Cc1ccc2nc(N3C[C@H](C)O[C@@H](C)C3)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(=O)n2c1 1772719541 HDKGQUHAUKMPTD-HCVTUPDPSA-N 458.609 3.226 10 10 JGCE CCOc1ccccc1C(=O)N[C@@H](CCSC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862052989 VYCKLKTVZQFICO-QFIPXVFZSA-N 471.623 3.294 10 10 JGCE CCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1865031721 MWKPWEKEBWCGOU-OAQYLSRUSA-N 492.576 3.153 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@@H](Cc3ccccn3)c3ccccc3)CC2)cc1 1868659735 QYJVYYQNQHAGDK-LVXARBLLSA-N 472.589 3.270 10 10 JGCE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2111799411 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Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc2ccc(O)c(O)c2)c2ccccc21 1860334257 HKYJJSXTKKWTSL-IBGZPJMESA-N 453.539 3.384 10 10 JGCE CC[C@@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861984334 RELAVGBJNTZWNY-BKMJKUGQSA-N 496.627 3.290 10 10 JGCE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864009312 FAOJJOXJACMSRO-NRFANRHFSA-N 489.557 3.102 10 10 JGCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2 1864020784 HKORKBPABIFJHI-NRFANRHFSA-N 485.629 3.055 10 10 JGCE CCN(CC)CCCCN1C(=O)C(NCCN(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164901 XTNOQRBJAGXUHN-UHFFFAOYSA-N 479.669 3.447 10 10 JGCE O=C(CC[C@@H]1NC(=O)N(CCc2cccc(F)c2)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017336 OOZJJYSOXUENSE-QFIPXVFZSA-N 499.498 3.483 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC1(NC(=O)OC(C)(C)C)CCC1 2200952891 LOWYMIIXPZKLGL-INIZCTEOSA-N 479.574 3.097 10 10 JGCE COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=S)N(c2cccc3ccccc23)C1=O 2296348669 IBYAIFGVQKACKH-QFIPXVFZSA-N 498.564 3.327 10 10 JGCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OC(=O)c4ccccc4F)cc3)C(=O)N=C2S1 2297346223 NLHWUWFDADUBJI-UHFFFAOYSA-N 486.506 3.056 10 10 JGCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCc4ccccc4F)cc3)C(=O)N=C2S1 2297346319 VKDRHVGEBFCWFJ-UHFFFAOYSA-N 472.523 3.416 10 10 JGCE CC[C@@](C)(NC(=O)C=Cc1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328598718 WQHMFDFKKFJEOE-RUZDIDTESA-N 466.538 3.250 10 10 JGCE O=C(CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(O)c(C(=O)O)c1 1767935 ZTSLRCRGFVBKJL-CAOOACKPSA-N 472.500 3.049 10 10 JGCE CCCN(CC)c1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCCOC)C1=O 6481781 HUMOUKHZXQLWCU-SAPNQHFASA-N 460.625 3.477 10 10 JGCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2cccc([N+](=O)[O-])c2)N3)CC1 14471807 YVSKSSXGHOZZQE-QTEQDKRBSA-N 454.552 3.357 10 10 JGCE O=C(O)CCCC(=O)Nc1c(C(=O)O)cc(Br)c2c1C(=O)c1ccccc1C2=O 39899551 ZUYGVAPQHVBTLP-UHFFFAOYSA-N 460.236 3.116 10 10 JGCE C[C@H]1CN(c2ccc(CNC(=O)CSc3ncn(-c4ccccc4)n3)cc2F)C[C@H](C)O1 917205128 HAPUWECGDNFTKA-IRXDYDNUSA-N 455.559 3.429 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CCCCCN3C(=O)OC(C)(C)C)cc2)CC1 1638587024 HVIYHRUZZNJXBW-JOCHJYFZSA-N 458.603 3.151 10 10 JGCE CC(=O)N1CCN(c2ccc(CNc3ccc(F)cc3S(=O)(=O)C(F)(F)F)cc2)CC1 1642666877 YKGWGUZWAFMMOL-UHFFFAOYSA-N 459.465 3.400 10 10 JGCE COc1ccc(N2CCN(c3cc(C(=O)N4CCN(C/C=C/c5ccccc5)CC4)ncn3)CC2)cc1 1858251527 VNMCBHAABGMPTB-VMPITWQZSA-N 498.631 3.283 10 10 JGCE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864010358 LLMDEYNJSGHAOO-FQEVSTJZSA-N 498.967 3.083 10 10 JGCE Cc1nc(C(C)C)c(C(=O)N[C@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1 1867157627 WRLCIBMFRSDYPE-GOSISDBHSA-N 477.542 3.080 10 10 JGCE Cc1ccc2nc(NCC(C)C)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 2296732301 SNDMPEXPVFNTEA-HNNXBMFYSA-N 458.609 3.451 10 10 JGCE Cc1ccc(-c2ccc(C=C3SC(=S)N(CCS(=O)(=O)O)C3=O)o2)c([N+](=O)[O-])c1 2297478080 CHAGJAILNNODGU-UHFFFAOYSA-N 454.507 3.252 10 10 JGCE COc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 2297577630 HSBYFCIYCTYRFH-UHFFFAOYSA-N 472.544 3.307 10 10 JGCE COC(=O)c1ccc(C(=O)OC)c(NC(C)=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)c1 2313681624 JLLPJEGRQBPYIA-UHFFFAOYSA-N 452.423 3.277 10 10 JGCE Cc1ccc(COc2ccccc2C=C2SC(=S)N([C@H](CC(N)=O)C(=O)O)C2=O)cc1 2314541255 IPLVDSGYWNVZDW-MRXNPFEDSA-N 456.545 3.104 10 10 JGCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3cccc(O)c3)C2=O)cc1)C(=O)O 2314927094 ZGCUDOMMEVGRAP-MRXNPFEDSA-N 458.517 3.180 10 10 JGCE CCOc1cc(C=C2SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)ccc1OC 2323840639 DCDMYBHQARHLSE-UHFFFAOYSA-N 478.617 3.185 10 10 JGCE Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)O)c(Br)c3)C2=O)cc1C 6858375 ZVTBODMJBCYUMV-NVNXTCNLSA-N 473.279 3.196 10 10 JGCE CC[C@H](C)N1C(=O)/C(=C\c2c(N3CCN(CC)CC3)nc3c(C)cccn3c2=O)SC1=S 33879228 ITUXBLXIVPAVIP-KXGFGANYSA-N 471.652 3.145 10 10 JGCE CCN(CC)c1ccc(CN(C[C@@H]2CCCO2)C(=O)NC(C)C)c(OS(=O)(=O)CC)c1 37424517 DGJKQYITESLUPF-FQEVSTJZSA-N 455.621 3.360 10 10 JGCE CN(C)c1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2C2=NC(=O)[C@H](CC(=O)O)S2)cc1 72413307 ZPERDWFVYSDLIX-OALUTQOASA-N 467.507 3.285 10 10 JGCE O=C(CN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)Nc1cc(C(=O)O)cc(C(=O)O)c1 210493345 YGPYDWZQFVZAMK-AQHRCUNFSA-N 468.512 3.479 10 10 JGCE CCOC(=O)C1=C(C)N=c2sc(=Cc3c[nH]c4ccccc34)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 252672297 PVNMXRCZZJZTHX-DEOSSOPVSA-N 486.597 3.346 10 10 JGCE COC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C 254745163 PKRIKUXGMIAAJK-DEOSSOPVSA-N 491.613 3.261 10 10 JGCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccc4cc[nH]c4c3)cc2)cc1 1859007741 UUIQJYPEUIWYGA-UHFFFAOYSA-N 478.530 3.200 10 10 JGCE COc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)n2)cc1OC 1891626407 CPSYQXFQANMREA-UGKGYDQZSA-N 474.561 3.233 10 10 JGCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1892169621 WLKHXBUPMSQZHW-PTLVVNQVSA-N 498.605 3.443 10 10 JGCE COCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(C)cc3)c3ccccc32)SC1=S 2038109057 ARMYLPHIALVZPE-UHFFFAOYSA-N 467.572 3.198 10 10 JGCE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)Cc2ccc(N)cc2)CCN(Cc2ccccc2)CC1 2187401107 KDKAOSGQZSDIJA-UHFFFAOYSA-N 488.654 3.248 10 10 JGCE CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(OCC(=O)O)c(OCC)c3)C2=O)cc1 33307214 AGLXRXHIUKBHBW-GZTJUZNOSA-N 454.435 3.454 10 10 JGCE CN1CCCc2cc(CN3CC(=O)N(CC4CCOCC4)C[C@@H](OCc4ccccn4)C3)ccc21 39352494 NLLCDOAWWZOHRV-SANMLTNESA-N 478.637 3.120 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3cc(C(F)(F)F)c4c(C)nn(C)c4n3)CC2)cc1 45992692 RBCAOCKGFSQPAE-OAHLLOKOSA-N 477.487 3.420 10 10 JGCE COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)C2=O)cc1 59861922 CGLYAPQWWDNAML-PDGQHHTCSA-N 467.459 3.109 10 10 JGCE COc1ccc([N+](=O)[O-])cc1N/C=C1\C(=O)N(CCc2ccccc2)C(=O)N(C(C)C)C1=O 103840138 FTDVCOQSRIBPPQ-NBVRZTHBSA-N 452.467 3.341 10 10 JGCE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)/C=C\c2cc(C)n(-c3ccccc3)c2C)CC1 209873185 WRJLTBDXMHZTQJ-KHPPLWFESA-N 468.579 3.245 10 10 JGCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(C)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 254738726 KIGYJGIEIZDBON-QHCPKHFHSA-N 461.587 3.173 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(C)n(C[C@H]4CCCOC4)c3C)cc2)CC1 1634073697 CLBPKNSXWAYCQX-HSZRJFAPSA-N 452.599 3.130 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3ccc(F)c(F)c3F)CC2)cc1 1862271824 SJDSXSZEHLVMRF-IBGZPJMESA-N 481.540 3.313 10 10 JGCE CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1 1864011274 FKGFNULOHKJXFK-NRFANRHFSA-N 466.513 3.401 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)CCCC(=O)c3cccs3)CC2)cc1 1868733405 JUKGWSCXTIUDIO-UHFFFAOYSA-N 457.596 3.353 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873168060 HVONNZOZAWKBQK-QHCPKHFHSA-N 473.577 3.229 10 10 JGCE O=C(Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21)NCc1ccccc1 2293763541 FNJDSHSMXARDJI-UHFFFAOYSA-N 482.496 3.213 10 10 JGCE COc1cc(OC)c(C=C2C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1Br 2294199249 IJQDNWSSZAAEFD-UHFFFAOYSA-N 465.300 3.437 10 10 JGCE COc1cc(C=C2SC(=S)N([C@H](C)C(=O)Nc3ccc(C(=O)O)cc3)C2=O)ccc1O 2314837076 NVIAZMGNKCQNLJ-LLVKDONJSA-N 458.517 3.327 10 10 JGCE COc1ccc(C(=O)NN2C(=O)C(=Cc3ccc(O[C@@H](C)C(=O)O)c(OC)c3)SC2=S)cc1 2314931881 ISZSNLAXXGYHIY-LBPRGKRZSA-N 488.543 3.102 10 10 JGCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)O 2314932278 LOUDCYXIIAALDC-UHFFFAOYSA-N 478.935 3.358 10 10 JGCE CO[C@H](CNC(=O)OC(C)(C)C)[C@H](CN)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 2380170305 YVPUPVLVTXMGCK-LEWJYISDSA-N 478.634 3.331 10 10 JGCE C[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1)C(=O)O 586626069 ZMZSKDNDGGMHMX-ZDUSSCGKSA-N 457.442 3.309 10 10 JGCE O=C(NCc1ccccc1O)c1cc(I)cc(I)c1O 701122842 VOLRHHVMMSRXHM-UHFFFAOYSA-N 495.054 3.237 10 10 JGCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)Cc3ccc(Cl)cc3)cc2)cc1 1858956593 XPKDIPVAFQPABK-UHFFFAOYSA-N 473.938 3.258 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc4nc(C)c(C)nc4c3)CC2)cc1 1862076844 HQWZREPZFWVQEP-VWLOTQADSA-N 473.577 3.209 10 10 JGCE CCn1nc(C)c2c1OC(N)=C(C(=O)NC13CC4CC(CC(C4)C1)C3)[C@@H]2c1ccc(O)c(O)c1 1864010503 UVYIQKYPLFFGFG-RBUSCZGRSA-N 464.566 3.402 10 10 JGCE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865027621 ZXBZDOXUJLYLBN-OAQYLSRUSA-N 461.522 3.084 10 10 JGCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC[C@H]1CO)[C@H]2c1ccc(O)c(O)c1 1865031272 CYYOYNYFQZBHNJ-RXVVDRJESA-N 490.560 3.049 10 10 JGCE COc1cccc2c1C(=O)N(CCCC(=O)Nc1ccc3c(c1)C(=O)c1ccccc1C3=O)C2=O 1865831967 DVZBAVNEGWRGAV-UHFFFAOYSA-N 468.465 3.486 10 10 JGCE CC[C@@](C)(NC(=O)[C@@H](c1cccnc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867278915 CQEPQGPLUBFBHE-QDPGVEIFSA-N 484.556 3.383 10 10 JGCE CCCC[C@@H](NC(=O)c1cc(-c2ccncc2)[nH]n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868979678 MDZJMKZKTUMNRC-JOCHJYFZSA-N 476.581 3.118 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N(CCOC(C)C)C2=O)cc1 1873170811 RMWAHVBLKPUSBO-UHFFFAOYSA-N 464.610 3.283 10 10 JGCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)[C@H]1CCCN1S(=O)(=O)c1ccccc1F 1891768544 MDGCMPWSEWZKKG-RCZSKKKRSA-N 457.571 3.284 10 10 JGCE CCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200953675 RGEVOTMMJONZOW-IRXDYDNUSA-N 481.590 3.343 10 10 JGCE COc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 2293233212 OYQXIBRFTAXCAH-UHFFFAOYSA-N 470.532 3.410 10 10 JGCE COc1cc(C=C2SC(=S)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc(OC)c1OC 2296881720 XOMCURVAPDYIIB-UHFFFAOYSA-N 488.543 3.281 10 10 JGCE Cc1ccc(N2C(=O)NC(=O)C(=CNc3ncc(Br)cc3Br)C2=O)cc1 2297453074 UZSUNNUMJPQCDX-UHFFFAOYSA-N 480.116 3.494 10 10 JGCE CCC[C@@H](NC(=O)C=Cc1ccc2c(c1)OCCO2)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330511114 NKADWKSQEFXHFI-HSZRJFAPSA-N 479.577 3.113 10 10 JGCE CC(C)CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(N(C)C)c(Br)c3)C(=O)N=C2S1 20208720 BBYFGDVMGJNMMF-XYPMFZOPSA-N 498.428 3.163 10 10 JGCE Cc1cc(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)c(C)n1-c1ccc2c(c1)OCCO2 109006200 JRZILTSSEJAVBK-SFHVURJKSA-N 451.498 3.078 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)N3CCC[C@H]3c3ccc(OC)c(OC)c3)CC2)cc1 742939447 FQPOHXBBWFZWOY-QHCPKHFHSA-N 468.598 3.381 10 10 JGCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1C[C@H](C)O[C@H](C)C1)[C@H]2c1ccc(O)c(O)c1 1865032115 VZAQGCPJJPAVCQ-MRUHUIDDSA-N 490.560 3.312 10 10 JGCE NC(=O)COc1cn(CCc2cnc[nH]2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871117961 YHGNXCNZPIIUOC-UHFFFAOYSA-N 458.522 3.034 10 10 JGCE O=C(CCS(=O)(=O)Cc1nc2ccccc2[nH]1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179249 VIZSKLHGVDRGGR-UHFFFAOYSA-N 473.510 3.282 10 10 JGCE Cc1ccc(Cn2nc(C(=O)N(C)C)c(I)c2C(F)(F)F)c(O)c1 2079229197 FVJRZHVRGKIDSN-UHFFFAOYSA-N 453.202 3.271 10 10 JGCE CCOC(=O)COc1ccccc1C=C1C(=O)NC(=O)N(c2cccc(Br)c2)C1=O 2294095327 PUQCXJNYQOKZBC-UHFFFAOYSA-N 473.279 3.057 10 10 JGCE Cc1ccc(N2C(=O)C(=Cc3ccc(O)c(I)c3)C(=O)NC2=S)cc1 2294235439 QKQZIMJAVZPNFQ-UHFFFAOYSA-N 464.284 3.137 10 10 JGCE CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cccn3-c3cc(Cl)cc(Cl)c3)C(=N)N21 2297346843 MQHQSBGJYQTAEI-UHFFFAOYSA-N 468.347 3.405 10 10 JGCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(Cl)cc([N+](=O)[O-])c1O 2313559593 FOQQXDNNDMZMQP-UHFFFAOYSA-N 466.631 3.383 10 10 JGCE CCN1C(=O)C(=C2SC(=S)N(CCCC(=O)OC)C2=O)c2cc(Br)ccc21 2314760818 LOSBLKXSJTVFJH-UHFFFAOYSA-N 469.382 3.340 10 10 JGCE O=C(O)CCNC(=O)CCCCCN1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1=S 15044744 CPQYPSVUUVVXHQ-PTNGSMBKSA-N 456.973 3.398 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C(=N)N21 20206623 ZASUJNICIOPNEH-RMXFNUKNSA-N 472.523 3.416 10 10 JGCE C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2c(N3CCOCC3)nc3ccccn3c2=O)SC1=S 35212294 PXDWVAVVJVAFPX-DAMBIUFKSA-N 478.599 3.494 10 10 JGCE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccc(OC)cc3C)c3ccco3)CC2)cc1 38619272 IWVACPWSULVMGZ-HSZRJFAPSA-N 485.606 3.447 10 10 JGCE CN(C)c1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2C2=NC(=O)[C@@H](CC(=O)O)S2)cc1 72413309 ZPERDWFVYSDLIX-RBUKOAKNSA-N 467.507 3.285 10 10 JGCE CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cccn3-c3cccc(C(F)(F)F)c3)C(=N)N21 96462699 WEEIFKAGRHOEIS-LJQIPDPUSA-N 467.454 3.117 10 10 JGCE CCN(C(=O)CCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 97595323 IQFBPFWEHWQWCE-UIMCMNAESA-N 480.677 3.437 10 10 JGCE COc1cccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCCC(=O)O)c(OC)c3)SC2=S)c1 210446724 AJQPGFDMWPDWCX-WQRHYEAKSA-N 488.543 3.104 10 10 JGCE CC(=O)N1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCSCC3)cc2)[C@H](C)C1 1690852789 MLCXCTQLAONPGO-LJQANCHMSA-N 456.660 3.135 10 10 JGCE CCCc1nn(C)c2c1[C@H](c1ccco1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865308719 BRVYXEZXYMEPOJ-QFIPXVFZSA-N 477.565 3.018 10 10 JGCE COC(=O)Cn1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 2294204822 GRCQCTYYVWXQJH-UHFFFAOYSA-N 453.907 3.299 10 10 JGCE COC(=O)c1cccc(-c2ccc(C=C3C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C)o2)c1 2297330304 SXTCWAHGVQZRGL-UHFFFAOYSA-N 465.487 3.187 10 10 JGCE NC(=O)Cn1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 2297332992 SADMANPJFDITJB-UHFFFAOYSA-N 473.341 3.265 10 10 JGCE C[C@H](Oc1ccccc1C=C1SC(=S)N(c2cc(C(=O)O)cc(C(=O)O)c2)C1=O)C(=O)O 2314926463 JWGFWKXLXBJRNU-JTQLQIEISA-N 473.484 3.341 10 10 JGCE CS(=O)(=O)C1=NN2C(=N)/C(=C\c3cn(CCOc4ccccc4)c4ccccc34)C(=O)N=C2S1 20207548 QWXBNTJTNXBLTA-HORDIMCOSA-N 493.570 3.342 10 10 JGCE CCOCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCC(C)CC2)SC1=S 33383646 MLDONOCFUVBCKS-CPNJWEJPSA-N 474.652 3.430 10 10 JGCE CN1CCN(N2C(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccccc3)SC2=S)CC1 35519852 YXCBYUFRXZBNHM-HMMYKYKNSA-N 468.604 3.068 10 10 JGCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H](C)N(C)C)[C@H](C)C1 1286870675 DMQYHCXMOYEOPC-WOJBJXKFSA-N 463.630 3.360 10 10 JGCE CCOC(=O)c1c(NC(=O)C(=O)NCCOC)sc(C)c1-c1ccc(Br)cc1 1860759168 WWTHQAQJSFSJOF-UHFFFAOYSA-N 469.357 3.364 10 10 JGCE CCC[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)n(C)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861880728 PBSHBABBWVIBSZ-HSZRJFAPSA-N 493.583 3.482 10 10 JGCE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865025604 AKUQNVQSDWXSLY-JOCHJYFZSA-N 478.524 3.497 10 10 JGCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865028548 WPKHWBLLENSQGW-JOCHJYFZSA-N 460.534 3.276 10 10 JGCE CCCn1c(C(=O)NCCCOCC)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873572767 LESQJZNVYRUTIL-UHFFFAOYSA-N 480.613 3.333 10 10 JGCE CCOC(=O)N1CCN(C(=O)CCN2C(=O)C(=CC=Cc3ccccc3)SC2=S)CC1 2297350193 LSNLOQOVOINKGS-UHFFFAOYSA-N 459.593 3.135 10 10 JGCE COc1cc(Br)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c1OC 2313559420 YBZJASFGRIORDO-UHFFFAOYSA-N 465.300 3.437 10 10 JGCE COc1ccc(N2CCN(C(=S)NC(=O)C=Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 2313720525 QGFNKNZQQHEZGN-UHFFFAOYSA-N 460.943 3.493 10 10 JGCE COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3nccs3)C2=O)cc(OC)c1O 15038853 GVCKCPJJRLRNBF-LCYFTJDESA-N 451.551 3.096 10 10 JGCE COc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)Nc3nccs3)C2=O)cc(OC)c1O 15048793 MEMNKSVWUCFHMB-PGEKAQRJSA-N 451.551 3.094 10 10 JGCE CCOC(=O)CCN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S 80350120 NECJYRUULINCDT-RGEXLXHISA-N 492.619 3.241 10 10 JGCE O=C(O)CCNC(=O)CCN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S 210703367 LKXIZPOJBYDIPL-XMHGGMMESA-N 470.572 3.448 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)N4CCC[C@H](C)C4)n4ccccc34)CC2)cc1 1858223981 KADSVKDNSBKPBE-IBGZPJMESA-N 461.566 3.177 10 10 JGCE C[C@@H]1CCc2c(sc(NC(=O)C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c2C(N)=O)C1 1860747676 RYTUBZAZOPFLOQ-GFCCVEGCSA-N 487.537 3.324 10 10 JGCE COc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 2297303329 NBDQZRFGIPDWCV-UHFFFAOYSA-N 460.489 3.468 10 10 JGCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3cc(C)n(-c4ccccc4OC)c3C)C(=O)N=C2S1 2297346109 DQLLTUCMPSHWBZ-UHFFFAOYSA-N 471.564 3.114 10 10 JGCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3cc(C)n(-c4cccc(OC)c4)c3C)C(=O)N=C2S1 2297346483 NPAHJRVWIPMIDN-UHFFFAOYSA-N 471.564 3.114 10 10 JGCE COc1c(Br)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1[N+](=O)[O-] 2313558569 DSHNNIAILKAWQP-UHFFFAOYSA-N 480.271 3.336 10 10 JGCE COCCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccc(OC)cc3)C[C@H]12 97951719 UMHRFNBXMQIODM-IFMALSPDSA-N 463.500 3.344 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)CC1 1634073954 GWFXEPZZWNCKKK-UHFFFAOYSA-N 450.417 3.212 10 10 JGCE COc1ccc(C)cc1S(=O)(=O)NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858607871 XDMMLFKLPQLELV-UHFFFAOYSA-N 450.472 3.289 10 10 JGCE NC1=C(C(=O)NC2CC2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccn3)c2O1 1864015475 ACWRJOMLNOAENB-OAQYLSRUSA-N 481.512 3.319 10 10 JGCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2 1865030353 IEDQUHQSPAKOLN-ZOCZFRKYSA-N 484.597 3.233 10 10 JGCE CCCN1C(=O)C(=Cc2c(N3C[C@@H](C)O[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2314400475 NHGOWMTUAVTROQ-HUUCEWRRSA-N 458.609 3.228 10 10 JGCE COc1cccc(C=C2SC(=S)N(CCNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2=O)c1 2320656518 WYLRRDFFWSLMRF-UHFFFAOYSA-N 488.503 3.143 10 10 JGCE CCOc1ccc(C=CC(=O)N2CSC[C@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 2330592454 HDRHNRPSFOEQQU-DEOSSOPVSA-N 481.618 3.357 10 10 JGCE Cc1cc(C)n2[nH]c(=NC(=O)COc3ccc(C=C4SC(=S)N(CC(C)C)C4=O)cc3)nc2n1 2331592402 FUAQGHSIIJHTSS-UHFFFAOYSA-N 496.618 3.038 10 10 JGCE COC(=O)c1c(OC[C@@H]2CCCCO2)cc(=O)n2c1CCN(Cc1ccc(N3CCCC3)cc1)CC2 14888360 CLMYMJJIRNLNAS-QHCPKHFHSA-N 495.620 3.241 10 10 JGCE CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)[C@H]2C1 1630852592 GDCGAYYJGKZTFA-NDXORKPFSA-N 450.530 3.203 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cccc(OC)c3)CC2)cc1 1862047289 RLRNQOUPPXEZSW-SANMLTNESA-N 473.573 3.394 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)COc3cccc(C)c3C)CC2)cc1 1862191510 AOHREURNSHFRLQ-QHCPKHFHSA-N 485.650 3.278 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)CCCOc3ccc(Cl)cc3)CC2)cc1 1862232726 YGUWUDHRPKDACE-GOSISDBHSA-N 459.974 3.361 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864015109 JTHYODDFCZFFKS-MRXNPFEDSA-N 474.439 3.441 10 10 JGCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCCCC1)[C@H]2c1ccc(O)c(O)c1 1865033762 HSXZRGJLFVYAKP-HNNXBMFYSA-N 466.460 3.430 10 10 JGCE O=C(CC[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)OCc1ccccc1)OCc1ccccc1 1865875908 LBLNEQKVKBPPPN-FQEVSTJZSA-N 479.485 3.169 10 10 JGCE CC[C@@H](C)N1C(=O)c2ccc(C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)cc2C1=O 1865894472 UUVCIRCGSJFVRY-OPAMFIHVSA-N 459.550 3.400 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)Cc3csc(COc4ccccc4)n3)CC2)cc1 1868593463 UCGQYCYLZDJLRK-LJQANCHMSA-N 494.617 3.127 10 10 JGCE COc1ccc(N2CCN(c3nc(=NC[C@H]4CCCO4)nc(Nc4ccc(C)cc4)[nH]3)CC2)cc1 1871474581 JQBLHPLYFVGTAE-HSZRJFAPSA-N 475.597 3.272 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCN3CCOCC3)C(=O)N(C3CCCC3)C2=O)cc1 1873169926 ILGLFPIONMWCBW-UHFFFAOYSA-N 462.594 3.038 10 10 JGCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@H](CN)c1nn(C)cc1I 2194909131 DWTWPYTVLJVRKH-INIZCTEOSA-N 485.370 3.186 10 10 JGCE CC(C)N(CCNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 2200953984 VSGBEGNUBMGKFX-KRWDZBQOSA-N 481.590 3.295 10 10 JGCE CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OC(=O)c4cccs4)c(Cl)c3)C(=O)N=C2S1 2297346148 HPQNAXFQWZECGF-UHFFFAOYSA-N 494.963 3.242 10 10 JGCE CCOC(=O)CN1C(=O)C(=C2SC(=S)N(c3cc(OC)ccc3OC)C2=O)c2ccccc21 2313621554 RBTBGZYVZIDYFZ-UHFFFAOYSA-N 484.555 3.390 10 10 JGCE Cc1ccc(COc2ccccc2C=C2SC(=S)N([C@@H](CCC(N)=O)C(=O)O)C2=O)cc1 2314540880 AOTXVWHDFYPSCQ-KRWDZBQOSA-N 470.572 3.494 10 10 JGCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3cccc(OC)c3)C2=O)cc1)C(=O)O 2314929353 LOPPFPHHJZEILQ-QGZVFWFLSA-N 472.544 3.483 10 10 JGCE Cc1cc(C(=O)COC(=O)CCc2nc3ccccc3c(=O)[nH]2)c(C)n1-c1ccc2c(c1)OCO2 8761125 VOCXHDYAFYBDGV-UHFFFAOYSA-N 473.485 3.418 10 10 JGCE CCSc1nnc(NC(=O)CN2C(=O)/C(=C\c3ccc(OC)cc3)SC2=S)s1 209422261 KLIBQNLNCLAVAP-XYOKQWHBSA-N 452.608 3.499 10 10 JGCE COc1ccc(N2CCN(C(=O)CN=c3nc(O)c(Cc4ccc(C(C)C)cc4)c(C)[nH]3)CC2)cc1 1858533352 NXMSHDVZPWVMHS-UHFFFAOYSA-N 489.620 3.396 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 1861916375 OGGIOFBGTKNOTB-HXUWFJFHSA-N 472.929 3.210 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCc4ccco4)nc(Nc4ccc5n[nH]cc5c4)[nH]3)CC2)cc1 1871629682 VOPNYHMTTDPUAX-UHFFFAOYSA-N 497.563 3.454 10 10 JGCE CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\NCCN1CCN(C(=O)c2ccccc2)CC1 20506904 BCJVTYBJCXPGQV-NMWGTECJSA-N 463.557 3.260 10 10 JGCE COc1ccc(N2CCN([C@H](CNC(=O)C(=O)Nc3cccc(F)c3)c3ccco3)CC2)cc1 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458.562 3.283 10 10 JGCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)cccc21 170562815 ZZYBTWNQCTXOGH-AWEZNQCLSA-N 454.438 3.182 10 10 JGCE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1Cc1ccc(N2CCOCC2)c(F)c1 1705668863 VZLFIROAZTYKCG-KBMIEXCESA-N 471.577 3.018 10 10 JGCE COc1cc(N2CCC(NS(=O)(=O)Cc3ccccc3Cl)CC2)cc(OC)c1OC 1858044586 YCJACFSGJSDLFK-UHFFFAOYSA-N 454.976 3.454 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4n[nH]c5cc(Br)ccc45)C3)CC2)cc1 1860193309 MWTQBUSROOOJAE-OAHLLOKOSA-N 498.381 3.036 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)CC2)cc1 1862211326 FGUQMVUTPIXGOG-UXHICEINSA-N 453.583 3.439 10 10 JGCE CC[C@](C)(NC(=O)c1cc(-c2ccco2)on1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868632697 VIPGQQIOJMMFOB-DEOSSOPVSA-N 452.511 3.191 10 10 JGCE CCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(Cl)c2)[nH]1 1871645878 RWNKPKNQZJVNFM-UHFFFAOYSA-N 453.978 3.270 10 10 JGCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)NCCc3cccs3)cc1C2=O 1873881739 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COc1ccc(NC(=O)COc2cccnc2NC(=O)Oc2ccc(N)cc2)c([N+](=O)[O-])c1 1858682289 KJFVQORMSPNTAK-UHFFFAOYSA-N 453.411 3.209 10 10 JGCE CCCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861919573 ALLUGYBVMLCJJS-JOCHJYFZSA-N 454.527 3.241 10 10 JGCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864006953 BHORCGPNNPLOBM-OAQYLSRUSA-N 498.967 3.481 10 10 JGCE COC(=O)c1ccccc1N1C[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)CC1=O 1865923946 WVGMSPZQAKSCLU-BWKNWUBXSA-N 492.620 3.236 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cc(C4CC4)on3)CC2)cc1 1868974364 AOWRZABLYLYJMJ-DEOSSOPVSA-N 474.561 3.251 10 10 JGCE CCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(Br)c2)[nH]1 1871551482 RKFFQNGUZKRRAF-UHFFFAOYSA-N 498.429 3.379 10 10 JGCE CCn1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873546382 NEWGMCMKOLJTLL-OALUTQOASA-N 478.597 3.036 10 10 JGCE O=C(CCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)Nc1ccc(O)c(C(=O)O)c1 2296885448 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CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2 1865029360 LJFOKBYXWGUCCZ-FQEVSTJZSA-N 498.967 3.035 10 10 JGCE C[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866611105 NCNSJAVULJJPET-INIZCTEOSA-N 481.508 3.346 10 10 JGCE COc1ccc(C=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c(OC)c1OC 2295923698 GYUPBMXSAYOUTI-UHFFFAOYSA-N 450.369 3.398 10 10 JGCE O=C(CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc21)N1CCCCCC1 35399153 HHSXIVYKJAFFCN-UHFFFAOYSA-N 499.589 3.288 10 10 JGCE Cc1c(CC(=O)N2CCCC3=C[C@@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)c(=O)oc2c(O)c(O)ccc12 208211127 RIUHVCNJKHMQAL-ZUXGEGRZSA-N 464.562 3.477 10 10 JGCE O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(I)c([N+](=O)[O-])c1 728152062 NWPLKUZROCFMRY-UHFFFAOYSA-N 453.236 3.288 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)CCCc3ccc4c(c3)OCCCO4)cc2)CC1 1138229052 SLUQKHLDFYUAMG-UHFFFAOYSA-N 451.567 3.156 10 10 JGCE CCCOc1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862064896 VUABBITVHZBPHH-XMMPIXPASA-N 451.567 3.437 10 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478.286 3.474 10 10 JGCE CC[C@@H](C)N1C(=O)C(=Cc2c(N3C[C@H](C)O[C@H](C)C3)nc3ccccn3c2=O)SC1=S 2314400242 LRKLJLTYHJXQEF-KFWWJZLASA-N 458.609 3.308 10 10 JGCE COC(=O)CCCN1C(=O)C(=Cc2ccc(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S 2314761714 XSPNGZCPJRBXRP-UHFFFAOYSA-N 492.619 3.241 10 10 JGCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3OC)C2=O)ccc1O[C@@H](C)C(=O)O 2314934451 ZWPWDYYKONHEQG-LBPRGKRZSA-N 488.543 3.102 10 10 JGCE COc1ccc(CCNC(=O)c2cnn3c(O)c(Cc4ccccc4F)c(C)nc23)cc1OC 9597697 BTWWCDPLDOZFIT-UHFFFAOYSA-N 464.497 3.463 10 10 JGCE COc1ccc(N2CCN([C@@H](CNC(=O)[C@@H]3COc4ccccc4O3)c3ccco3)CC2)cc1 106210056 DZOPICMMZPASOH-OFVILXPXSA-N 463.534 3.108 10 10 JGCE O=C1c2ccccc2C(=O)c2c(NC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)cccc21 1858623850 ISONZARZCNIWLR-UHFFFAOYSA-N 475.526 3.000 10 10 JGCE COc1ccc(N2CCN(c3cc(N4CCN(C)CC4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1867985713 HHGWDLSBMNETHO-UHFFFAOYSA-N 462.573 3.370 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)C[C@@H]3CCCCO3)CC2)cc1 1869044116 NXFPZDKJHQTEJK-DQEYMECFSA-N 465.594 3.031 10 10 JGCE O=C(CN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)Nc1cc(C(=O)O)cc(C(=O)O)c1 2314936470 YCDJHUKVTDIDFR-UHFFFAOYSA-N 460.464 3.062 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)C=Cc3ccc(F)cc3)CC2)cc1 2328575875 QHICJCZHXHLUHV-HSZRJFAPSA-N 471.598 3.434 10 10 JGCE CN(C)c1ccc(CNC(=O)C2CCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)CC2)cc1 33258907 GSTIIEJAEYBQLI-UHFFFAOYSA-N 496.615 3.439 10 10 JGCE COc1ccc(N2CCN([C@@H](CNC(=O)COc3cccc(OC)c3)c3ccco3)CC2)cc1 56943666 OMYPBCLYTPDHPO-DEOSSOPVSA-N 465.550 3.355 10 10 JGCE COC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(N4CCCCC4)o3)C(=O)N(C)C2=S)cc1 96593707 QUCWRHADAOAWDM-JXAWBTAJSA-N 453.520 3.230 10 10 JGCE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 1524702590 CGXMTEQSUXAVPZ-HNNXBMFYSA-N 451.011 3.002 10 10 JGCE COc1cc(N2CCC(NS(=O)(=O)c3ccc(OC(C)C)cc3)CC2)cc(OC)c1OC 1858044286 MSNZESXRLAWUMP-UHFFFAOYSA-N 464.584 3.447 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cn(-c4ccc(Cl)cc4C)c(=O)cc3O)CC2)cc1 1870131036 WWYHJBDEWMFLGE-UHFFFAOYSA-N 453.926 3.476 10 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COc1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862058911 SZRQQIBLONLNPR-SANMLTNESA-N 489.572 3.099 10 10 JGCE COc1ccc(CC(=O)N[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)cc1 1862302692 HYVFZIYKIGZZDE-HHHXNRCGSA-N 473.573 3.453 10 10 JGCE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc(OC)cc1)=C(N)O2 1864021896 RLHLIZDWYORBPO-SZNDQCEHSA-N 478.549 3.457 10 10 JGCE COCCCNC(=O)c1c(NS(=O)(=O)c2ccc(OC)c(OC)c2)sc2c1CCCC2 1871343350 FRTPBPCBNIYVJR-UHFFFAOYSA-N 468.597 3.211 10 10 JGCE O=C1C(=Cc2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 2053497000 RZPBQUOEBDUIJS-UHFFFAOYSA-N 492.586 3.388 10 10 JGCE O=C(O)COc1ccc(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1Cl 2294229441 TUYLUTBOYPYCOK-UHFFFAOYSA-N 495.738 3.397 10 10 JGCE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@@H](C(=O)NCCN4CCCCC4)[C@@H]3C2)cc1 169679416 PVFKBUBNVOVWTJ-VPUSJEBWSA-N 478.637 3.173 10 10 JGCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(CCCn3ccnc3)C2=O)cc1 1858590857 LZSZQRMGTXOORW-XMHGGMMESA-N 458.609 3.422 10 10 JGCE CCOC(=O)c1c(NC(=O)C(=O)N[C@H](C(=O)O)C(C)C)sc(C)c1-c1ccc(F)cc1 1860759534 VJKYQYMKQDYTBK-INIZCTEOSA-N 450.488 3.203 10 10 JGCE COc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862061241 VIILFDUOGKONLE-AREMUKBSSA-N 473.573 3.394 10 10 JGCE COc1ccc(N2CCN(c3cc(N4CCC(CN5CCOCC5)CC4)nc(C(C)C)n3)CC2)cc1 1869083462 VOSZZIJRRXTFSL-UHFFFAOYSA-N 494.684 3.484 10 10 JGCE COCCN1C(=O)C(=CNC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)C(=O)NC1=S 2042447205 VZCIRQHGKUHDTA-QGZVFWFLSA-N 482.993 3.316 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC=CCN1C(=O)OC(C)(C)C 2136260887 HDLNJCCIGXUZRC-INIZCTEOSA-N 463.531 3.084 10 10 JGCE NC(=O)C[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S 2314542868 ZPEPUGYTGPJVFR-MRXNPFEDSA-N 476.963 3.449 10 10 JGCE COc1ccc(N2CCN(C(=O)C3=CC4=N[C@@H](c5ccco5)C[C@H](C(F)(F)F)N4N3)CC2)cc1 136343544 XWAPMCRGIRLBAJ-YLJYHZDGSA-N 475.471 3.115 10 10 JGCE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N1CCN(CCc2ccccn2)CC1 205621997 HSRUJKSSGGKBCD-HEHNFIMWSA-N 484.622 3.199 10 10 JGCE [N-]=[N+]=N[C@@H]1C[C@H](n2ccc(=NC(=O)c3ccccc3)nc2O)O[C@@H]1COC(=O)c1ccccc1 616585542 DQMZOZBBEVWSMA-QWFCFKBJSA-N 460.450 3.153 10 10 JGCE Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(OCC(=O)O)c(C)c3)cc2)cc1 748688671 AJJVLERCUHLQGK-UHFFFAOYSA-N 490.559 3.368 10 10 JGCE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1705659644 BVMIYBVGBQENPP-NRFANRHFSA-N 459.591 3.360 10 10 JGCE CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCSc2nccs2)CC1 1705987602 JVKJWEBSIFDMNL-UHFFFAOYSA-N 473.584 3.161 10 10 JGCE CCOc1ccc(S(=O)(=O)NC2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1 1858043927 BTLMAUWTXJMSNN-UHFFFAOYSA-N 450.557 3.058 10 10 JGCE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864008093 BMKLMIKAVSXTAB-OAQYLSRUSA-N 498.967 3.481 10 10 JGCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NC[C@@H](O)c1ccc(Cl)cc1)[C@@H]2c1ccc(O)c(O)c1 1864009699 KOYMQUPQZWQNEZ-TZIWHRDSSA-N 498.967 3.211 10 10 JGCE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC)[C@H]1c1ccc(O)c(O)c1 1865032051 UTMVZCHUJVHAGM-OAQYLSRUSA-N 492.576 3.297 10 10 JGCE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@H](C)N(CCOC)[C@@H](C)C2)n1 1869219143 MGSCTYHYIQHRTI-VXKWHMMOSA-N 482.673 3.310 10 10 JGCE COCCCNC(=O)Cn1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c2ccccc21 2297309973 AOAFKJJAUNZQTG-UHFFFAOYSA-N 488.544 3.077 10 10 JGCE COc1cccc(C(=O)NN2C(=O)C(=Cc3ccccc3O[C@@H](C)C(=O)O)SC2=S)c1 2314931577 PAVGSZZYVUYUBZ-LBPRGKRZSA-N 458.517 3.093 10 10 JGCE COc1ccc(N2CCN(c3ncc4c(n3)CCN(Cc3ccc(N(C)C)cc3)C4)CC2)cc1 15779454 PEUREPJEUXOJMY-UHFFFAOYSA-N 458.610 3.436 10 10 JGCE CCCCn1c(N)c(N(CCC)C(=O)/C=C\c2c(C)nn(-c3ccccc3)c2C)c(=O)[nH]c1=O 96600589 FSJATEDJGHQXED-YPKPFQOOSA-N 464.570 3.178 10 10 JGCE CCC(=O)N1N=C(c2c(O)[nH]c(=O)n(-c3cc(C)cc(C)c3)c2=O)C[C@H]1c1ccc(N(C)C)cc1 101765466 CGKJJINJRYPPTE-NRFANRHFSA-N 475.549 3.002 10 10 JGCE Cc1c(N2C(=O)/C(=C/c3cccc(OCC(=O)O)c3)SC2=S)c(=O)n(-c2ccccc2)n1C 210430206 FAZOCRKVVJZVHA-PDGQHHTCSA-N 481.555 3.354 10 10 JGCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 254703496 XKLICJYCBSYYMB-QHCPKHFHSA-N 461.587 3.173 10 10 JGCE CN(C)c1ccc([C@H](CNCC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)N(C)C)cc1 257630761 GOAFOGHVXOIBNV-VWLOTQADSA-N 486.682 3.393 10 10 JGCE COCCOC(=O)[C@H](C)Oc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858854585 NLNHEMOIXIPZQV-HNNXBMFYSA-N 489.484 3.458 10 10 JGCE CCc1sc(NC(=O)C(=O)NCCN(C)C)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763497 IVRFBHPEIKWIFW-UHFFFAOYSA-N 482.400 3.143 10 10 JGCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCCc1ccc(OC)cc1)[C@@H]2c1ccc(O)c(O)c1 1864010102 PIACJXAABMQDTQ-JOCHJYFZSA-N 478.549 3.075 10 10 JGCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2 1864014643 ZMJXPAOCVKNZOY-OAQYLSRUSA-N 485.629 3.200 10 10 JGCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864017625 QFXVWOOZPNQMES-LJQANCHMSA-N 466.925 3.473 10 10 JGCE COc1ccc(Nc2nc(=NCc3cccnc3)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871561517 BUCKFRXWHIEVTM-UHFFFAOYSA-N 498.591 3.388 10 10 JGCE CCN(CC)CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOC)C1=O 1873167751 WBTCIUVAVWQBGT-UHFFFAOYSA-N 452.599 3.142 10 10 JGCE COCCN1C(=O)C(=Cc2c(N(C)Cc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2296707854 RZNYQUXWDMHEEB-UHFFFAOYSA-N 480.615 3.487 10 10 JGCE COc1ccc(OC)c(N2C(=O)C(=C3C(=O)N(CN4CCOCC4)c4ccccc43)SC2=S)c1 2313621353 GTJLLBNQHIBDTP-UHFFFAOYSA-N 497.598 3.116 10 10 JGCE CC[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861984336 RELAVGBJNTZWNY-NVQXNPDNSA-N 496.627 3.290 10 10 JGCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1 1864010664 ANDWIOUYSVMPQX-ZSEKCTLFSA-N 466.513 3.399 10 10 JGCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCc1ccc(OC)cc1)[C@H]2c1ccc(O)c(O)c1 1864020771 GWPQNZXGHBKYKK-QFIPXVFZSA-N 492.576 3.329 10 10 JGCE COCCCN1[C@@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(C)n2)C[C@H]1C 1869293403 AIERDKQFGDMNFB-OYRHEFFESA-N 468.646 3.056 10 10 JGCE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2CCN(C(=O)OC(C)(C)C)Cc3ccccc32)=C[C@H]1O 2201009367 XBENUOZHZOGHJC-AZUAARDMSA-N 473.570 3.355 10 10 JGCE Cc1cc(C)cc(-n2c(C)cc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2C)c1 2297345459 YHGYQKMTFYXUMS-UHFFFAOYSA-N 455.565 3.332 10 10 JGCE CCc1ccc(N2C(=O)C(=Cc3ccc(I)o3)C(=O)NC2=S)cc1 2297555796 ZLFLJGYUWNOTBV-UHFFFAOYSA-N 452.273 3.278 10 10 JGCE CCCCn1c(N2CCC(C)CC2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 39990396 NBCKENLIDSPZNR-WQRHYEAKSA-N 488.635 3.351 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)N3CCC[C@H](CN(C)C(=O)OC(C)(C)C)C3)CC2)cc1 726247126 GMCNAAHDHDFVHQ-OAQYLSRUSA-N 489.661 3.106 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)N(C)Cc3ccc(SC)c(OC)c3)CC2)cc1 746725576 GHWMZLYDKJRBAG-UHFFFAOYSA-N 458.628 3.389 10 10 JGCE CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)cc21 1213978185 GNWHSDBGLMVPSA-OSPHWJPCSA-N 458.628 3.194 10 10 JGCE CC[C@H](C)[C@H](NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21)C(=O)OC 1616127597 VRLFAWYUUNPJPR-CIHKJSBTSA-N 488.588 3.492 10 10 JGCE Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)cc1 1858623959 NMTORUXUIVCKPX-UHFFFAOYSA-N 489.553 3.309 10 10 JGCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2ccccn2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008939 VPFSPUMKJNYYDL-XMMPIXPASA-N 497.555 3.365 10 10 JGCE CCn1nc(C)c2c1OC(N)=C(C(=O)NC13CC4CC(CC(C4)C1)C3)[C@H]2c1ccc(O)c(O)c1 1864010502 UVYIQKYPLFFGFG-FNEMOXSTSA-N 464.566 3.402 10 10 JGCE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCCC(C)C)=C(N)O3)cc1 1864022021 IVXOLEGKNZLPFR-HXUWFJFHSA-N 478.549 3.364 10 10 JGCE O=C(COc1ccccc1C=C1SC(=S)N(N2CCOCC2)C1=O)Nc1ccccc1 2314488225 KQHFKJBWNDBLQB-UHFFFAOYSA-N 455.561 3.153 10 10 JGCE C[C@H](NC(=O)CCCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S)C(=O)O 2314831170 DXKGSQJTCIROED-JTQLQIEISA-N 457.371 3.020 10 10 JGCE COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3F)C2=O)ccc1OCCC(=O)O 16912040 FZRKZLHJFCMSRJ-GZTJUZNOSA-N 476.507 3.234 10 10 JGCE O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)NC1=NCCS1 33417349 KOVOTTFNMAEFRF-FMIVXFBMSA-N 456.412 3.259 10 10 JGCE COc1cccc(/C=C2/SC(=S)N(N[C@H]3OC(=O)c4c3ccc(OC)c4OC)C2=O)c1 207329437 PFYKZPROGPHCEX-KAPURRDVSA-N 458.517 3.287 10 10 JGCE C[C@@H]1CCC[C@@H](NC(=O)Cn2c(=CC(=O)C(C)(C)C)sc(=Cc3ccc(N(C)C)cc3)c2=O)[C@@H]1C 254405189 XTUCJUIMBLKLHX-WOIUINJBSA-N 497.705 3.141 10 10 JGCE CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc21 1208091950 ASNYANDMGHTJGA-GOSISDBHSA-N 457.596 3.204 10 10 JGCE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1705811068 PZTIXWNYYMPYTM-UHFFFAOYSA-N 461.570 3.365 10 10 JGCE CC[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862287163 IFCFVIBYPCNMCP-XMMPIXPASA-N 454.527 3.159 10 10 JGCE CN(C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1ccc(O)c(O)c1)C1CCCCC1 1865031948 RWYUFVDUCFJYPH-HNNXBMFYSA-N 466.460 3.336 10 10 JGCE CCOc1ccc(-c2nc(N(C)CCO)cc(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 1867995599 DRBCCFGMQBGMFD-UHFFFAOYSA-N 463.582 3.306 10 10 JGCE CC/C(=C\C(=O)N[C@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)cc1 1868660250 AUVRLTUMPGCRLF-LFVOPCPISA-N 451.567 3.351 10 10 JGCE COc1ccc(N2CCN(c3nc(NC(=O)COc4ccccc4OC)n(C(C)(C)C)n3)CC2)cc1 1869970948 UQDCXFXAKWERQQ-UHFFFAOYSA-N 494.596 3.394 10 10 JGCE C[C@@H](NC(=O)CN1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S)C(=O)O 2314827523 GVQDAWULXZBFEW-CQSZACIVSA-N 456.545 3.056 10 10 JGCE COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3OC(C)(C)C 8445522 DRLBNQUCORYKEW-BZQUYTCOSA-N 454.475 3.004 10 10 JGCE COc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc(OC)c1O 15047246 OYOHOACLVOARSY-MTUBTWAWSA-N 488.543 3.336 10 10 JGCE O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccc(Cl)nc2)cc1)c1ccc(Cl)nc1 35551031 JUTCMPSZDCZLIG-UHFFFAOYSA-N 459.336 3.385 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4ccccc4)cc3)C(=N)N21 96460198 TXQINTZXVNRRLN-LEBISVFGSA-N 484.559 3.156 10 10 JGCE CCC[C@@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]21 104879924 OZUIPTZHHTVEIM-RQXXJAGISA-N 462.424 3.485 10 10 JGCE COc1cc(/C=C2/SC(Nc3cc(C(=O)O)cc(C(=O)O)c3)=NC2=O)cc(OC)c1OC 208340701 GTAPGIGXILJHQS-OMCISZLKSA-N 458.448 3.191 10 10 JGCE C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)c1ccc(N2CCOCC2)cc1 731401305 LQBQWENDYSFEEU-GCJKJVERSA-N 473.595 3.359 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)c3nn(Cc4ccccc4)c(=O)c4ccccc34)CC2)cc1 742916099 CCRVMYGIUKHEDD-UHFFFAOYSA-N 497.599 3.005 10 10 JGCE CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)(C)C)n3CCCSc3nccs3)C[C@H]2C)CC1 1541000953 IJTVIBDHLPVNPW-IEBWSBKVSA-N 491.731 3.203 10 10 JGCE COCCN(CCOC)C(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860344911 HEPCFVKXRHIBHB-UHFFFAOYSA-N 474.561 3.086 10 10 JGCE Cc1ccc(C)c(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)c1 1860827081 QWAVKZDDKGFSQD-MRCUWXFGSA-N 495.582 3.335 10 10 JGCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(Br)c3)C2=O)cc1Cl 2293993144 LEVFCSBOJOBIPU-UHFFFAOYSA-N 451.660 3.483 10 10 JGCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1O[C@@H](C)C(=O)O 2294095612 WZFPHEBFNGGVRX-LBPRGKRZSA-N 458.854 3.257 10 10 JGCE CCN1C(=O)C(=C2SC(=S)N(CCCC(=O)O)C2=O)c2cc(Br)ccc21 2314761322 SHUAJNAZHVFQDL-UHFFFAOYSA-N 455.355 3.252 10 10 JGCE CCCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc5c(c4)CC(=O)N5)n3)cc21 11857970 ZARCLWQUPBSENB-UHFFFAOYSA-N 484.559 3.241 10 10 JGCE COc1ccc(N2CCN(C(=O)Cn3cnc(-c4ccc(C(F)(F)F)cc4)cc3=O)CC2)cc1 13808758 RYHUSAIWCVOGOF-UHFFFAOYSA-N 472.467 3.287 10 10 JGCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@@H]3C=CC[C@H]32)cc1O 14457180 DYWLABLAYGYRNE-IECBHUPTSA-N 455.580 3.163 10 10 JGCE Cc1ccc(CN2C(=O)/C(=C\c3c(N4CCN(C)CC4)nc4ccccn4c3=O)SC2=S)cc1 33342557 HGKWOBUCQFQAKN-HMMYKYKNSA-N 491.642 3.156 10 10 JGCE C[C@@H]1CCC[C@H](NC(=O)Cn2c(=O)/c(=C/c3ccc(N(C)C)cc3)s/c2=C\C(=O)C(C)(C)C)[C@@H]1C 97993935 XTUCJUIMBLKLHX-AADOWEPKSA-N 497.705 3.141 10 10 JGCE CCc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(OC)c4O)N[C@@](C(=O)O)(c4ccccc4)[C@@H]3C2=O)cc1 251924376 CADOALNAMLLPSU-AMZZYFJHSA-N 486.524 3.393 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccsc3NC(=O)c3ccco3)cc2)CC1 1616252143 OSAYBMNDCOXDHA-UHFFFAOYSA-N 452.536 3.192 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)[C@H](C)Oc3ccc(Cl)cc3)CC2)cc1 1862216916 CNSBKBZCXHZZTI-HTAPYJJXSA-N 490.025 3.366 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)[C@@H](C)Oc3ccc(Cl)cc3)CC2)cc1 1862220530 WRWUDTBVDJFXTI-WZONZLPQSA-N 471.985 3.456 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)COc3ccccc3OC)c3ccccc3)CC2)cc1 1862268883 FTGRELPABMGPRT-MHZLTWQESA-N 489.572 3.289 10 10 JGCE CN1CCN(c2ccc3[nH]cc(C(=O)Nc4cccc5c4C(=O)c4ccccc4C5=O)c(=O)c3c2)CC1 1866442786 HPGVSIWDYUPYHX-UHFFFAOYSA-N 492.535 3.308 10 10 JGCE CCCCN(C)C(=O)COc1cn(CCC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870513421 OFTKGVWWPJGRSF-UHFFFAOYSA-N 484.641 3.226 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCC(=O)Nc4ccccc4)cc3)CC2)cc1 1872718616 QRNNZTRUWREHQL-UHFFFAOYSA-N 481.574 3.224 10 10 JGCE Cc1nc(I)c(I)n1CCc1ccc(N)cc1 1941542656 DAPIRKGPGOXNJC-UHFFFAOYSA-N 453.065 3.226 10 10 JGCE NC(=O)C1CCN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccncc3)S2)CC1 2040565400 GBTKRBRMDAEHPO-UHFFFAOYSA-N 458.547 3.102 10 10 JGCE C[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC[C@H]1NC(=O)C(F)(F)F 2106844162 PLYRSKCSGBFFFN-CXAGYDPISA-N 456.509 3.455 10 10 JGCE Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 2294216859 JQIGYUULGQKILM-UHFFFAOYSA-N 489.509 3.322 10 10 JGCE Cc1cc(C=C2C(=O)NC(=S)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 2297365931 SETHMFTWFRAPAW-UHFFFAOYSA-N 490.585 3.351 10 10 JGCE C[C@@H](C(=O)NCCCC(=O)O)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 15048298 RZXCSLKEGUDONB-AVMBBCFPSA-N 457.371 3.020 10 10 JGCE COCCNC(=O)Cn1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=S)N=C2O)c2ccccc21 33441533 WAYRUWSLNLNMIP-MOSHPQCFSA-N 476.558 3.384 10 10 JGCE CCOc1ccc(-c2[nH]c3c(c2-c2sc(C)c(C(=O)OC)c2O)c(=O)n(C)c(=O)n3C)cc1 86076791 BMMUNVUFUUSUNQ-UHFFFAOYSA-N 469.519 3.160 10 10 JGCE Cc1cccc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2)c1 104220059 YSRZXFCROLBQOM-RCCKNPSSSA-N 476.514 3.375 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)Cc3csc(NC4(C)CCCC4)n3)cc2)CC1 1625199249 SGTOSZBLWCJTEK-UHFFFAOYSA-N 455.628 3.415 10 10 JGCE COc1ccc(N2CCN(C(=O)CCN=c3nc(O)c(-c4ccc(C)cc4)c(C)[nH]3)CC2)cc1 1858542570 RFZRBJGKIVAVNF-UHFFFAOYSA-N 461.566 3.047 10 10 JGCE CC(C)CNC(=O)Cn1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860827057 PXCVUOOXAMLJGH-VCHYOVAHSA-N 459.593 3.480 10 10 JGCE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccc(F)cc1)[C@@H]2c1ccc(O)c(O)c1 1864015373 PSSGQFRDCJGIAG-OAHLLOKOSA-N 478.402 3.000 10 10 JGCE CCCc1nn(C)c2c1[C@@H](c1ccccc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865016254 ANUYQBBBWSWQEC-HSZRJFAPSA-N 487.604 3.425 10 10 JGCE CCCNC(=O)COc1cn(CCNC(C)=O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871135678 OLYZTSJJFWKNMD-UHFFFAOYSA-N 491.592 3.245 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179517 IEYBCPIFBSEDFA-IBGZPJMESA-N 460.490 3.260 10 10 JGCE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2111799412 BOUUREBNWSZCRN-HOTGVXAUSA-N 462.591 3.026 10 10 JGCE COCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccccc3)c3ccccc32)SC1=S 1834644 VFHNAACWHVHPCW-FMQUCBEESA-N 467.572 3.280 10 10 JGCE Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cccc4c3C(=O)c3ccccc3C4=O)C2=O)cc1 8430447 LHPIFSYEGPEYMZ-CPNJWEJPSA-N 451.438 3.349 10 10 JGCE COc1ccc(N2CCN(C(=O)c3sc4nc5n(c(=O)c4c3C)CCCCC5)CC2)cc1 9405661 MRRPYNOXBCXJQD-UHFFFAOYSA-N 452.580 3.464 10 10 JGCE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccccc3[N+](=O)[O-])c3ccco3)CC2)cc1 38619274 XTOKPHADZZBBKH-NRFANRHFSA-N 486.550 3.038 10 10 JGCE CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3F)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 59447089 OTELZJHSTLUGKO-PZHBDVNGSA-N 465.550 3.003 10 10 JGCE COc1cccc(/C=C2/SC(=S)N(CCNC(=O)COc3cccc(OC)c3)C2=O)c1 62050480 STAWQOLQLPNKEC-XDHOZWIPSA-N 458.561 3.100 10 10 JGCE COc1cccc(C2=NN(C3=NC(=O)[C@@H](CC(=O)O)S3)[C@H](c3ccc(N(C)C)cc3)C2)c1 72413207 SUKSZGZGBKGSJT-VQTJNVASSA-N 452.536 3.385 10 10 JGCE CCc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4O)N[C@@](C(=O)O)(c4ccccc4)[C@@H]3C2=O)cc1 252000689 MIHAVJOAOLIYNR-FAWUNYRSSA-N 456.498 3.385 10 10 JGCE Cc1cc(CCNC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)c(C)n1-c1ccccc1 746426047 LWFVNDZRPULVBD-UHFFFAOYSA-N 468.575 3.388 10 10 JGCE COC(=O)c1cccc(CNC(=O)c2cn3c(n2)[C@@H](c2ccccc2)N(C(=O)CCN=[N+]=[N-])CC3)c1 1857658500 CQEXSVNVKDVJOI-JOCHJYFZSA-N 487.520 3.232 10 10 JGCE CCOc1cccc(CNCCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1O 1860711240 OMKCRGIKBPKDSP-UHFFFAOYSA-N 476.580 3.167 10 10 JGCE CN1C(=O)COc2ccc(NC(=O)CCNCc3cc(Cl)cc(Br)c3O)cc21 1860715353 VELZAGUPAIPHHW-UHFFFAOYSA-N 468.735 3.282 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3cc(Cl)ccc3OC)CC2)cc1 1862138867 YXEZLMXOFYIYQZ-FQEVSTJZSA-N 475.998 3.221 10 10 JGCE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2 1864008200 FNDZSWQIBUHCMF-BTYIYWSLSA-N 496.951 3.235 10 10 JGCE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865026785 RVTTZQWSYYMKJP-SPLOXXLWSA-N 461.522 3.083 10 10 JGCE CN(C)c1ccc([C@@H](CNC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1866021130 XBIWIPAZSDUDLC-RUZDIDTESA-N 481.597 3.454 10 10 JGCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc1C2=O 1873900930 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JGCE COc1ccc(N2CCN(C(=O)C[C@@H]3CCOC4(CCN(C(=O)NC(C)C)CC4)C3)CC2)cc1 581786314 RHFBHSKTRSNSAI-NRFANRHFSA-N 472.630 3.113 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(Br)cc(N(C)C)c3)cc2)CC1 1154271717 UOWVVHIMICKSHL-UHFFFAOYSA-N 459.388 3.114 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CCc4cc(Br)ccc43)cc2)CC1 1632944539 CBDFOWFLAMVLOY-QFIPXVFZSA-N 456.384 3.464 10 10 JGCE COCCOC(=O)[C@@H](C)Oc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858854587 NLNHEMOIXIPZQV-OAHLLOKOSA-N 489.484 3.458 10 10 JGCE CCCC[C@H](NC(=O)COc1ccc(C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862276295 FNFDJNAJPRGMRY-DEOSSOPVSA-N 453.583 3.406 10 10 JGCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCCc1cccs1)[C@H]2c1ccc(O)c(O)c1 1864009182 BNDCXOXIKCODIA-IBGZPJMESA-N 454.552 3.128 10 10 JGCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864011183 REOXJYOAHOIBOM-HXUWFJFHSA-N 452.555 3.485 10 10 JGCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864013414 BBTIMNYUENNACK-OAQYLSRUSA-N 462.550 3.320 10 10 JGCE 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COc1cc(NS(=O)(=O)c2ccc(NCc3cc(Cl)ccc3O)cc2)nc(OC)n1 9546575 GVYONAVPOOKLCF-UHFFFAOYSA-N 450.904 3.266 10 10 JGCE COc1ccc(N2CCN(C(=O)c3[nH]c(C)c(S(=O)(=O)N4CCC(C)CC4)c3C)CC2)cc1 35480397 ZZDSIXPVHNAWGU-UHFFFAOYSA-N 474.627 3.023 10 10 JGCE Cc1nc(S(=O)(=O)N2CCN(C(=O)NCCc3cc(C)n(-c4ccccc4)c3C)CC2)cs1 728743041 DEPASNOLBRVVFB-UHFFFAOYSA-N 487.651 3.118 10 10 JGCE O=C(Nc1cccc(C(=O)O)c1C(=O)O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 1859473457 BWLORQYKHUSGAF-UHFFFAOYSA-N 458.426 3.174 10 10 JGCE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2 1864009545 ALCKQDMETIGFSR-RNODOKPDSA-N 498.967 3.081 10 10 JGCE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2 1864020326 BDKRPEMRGAAMFK-NRFANRHFSA-N 462.550 3.239 10 10 JGCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC1CCCC1)[C@@H]2c1ccc(O)c(O)c1 1864021796 GPPBNTIGTJVHTG-CQSZACIVSA-N 452.433 3.086 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)Cc3ccc(C)o3)CC2)cc1 1869040831 ZRMGJIFLBKZWOM-RUZDIDTESA-N 479.552 3.355 10 10 JGCE CNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCc2ccc(OC)cc2)C1=O 2040498488 LHYIHLDEMZENFN-UHFFFAOYSA-N 466.588 3.497 10 10 JGCE O=C1NC(=S)N(CCC2=CCCCC2)C(=O)C1=CNC1CCN(Cc2ccccc2)CC1 2296930577 ZBQTYFPYCSKYQK-UHFFFAOYSA-N 452.624 3.258 10 10 JGCE Cc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)cc2)cc1 2297352611 GKHRVSKSQVHWHR-UHFFFAOYSA-N 491.573 3.362 10 10 JGCE O=C(O)CCOc1cccc(/C=C2/SC(=S)N(NS(=O)(=O)c3ccc(Cl)cc3)C2=O)c1 16908223 TZXZACNVNOAHJE-LFIBNONCSA-N 498.991 3.288 10 10 JGCE CCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 33812527 XUYJHEUIAHOFSS-STZFKDTASA-N 493.658 3.202 10 10 JGCE CCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 39989696 XBSVAZLIQHGIMW-DZBQEORWSA-N 460.625 3.132 10 10 JGCE CC[C@H](C)[C@]1(C(=O)O)N[C@H](c2cccc(OC)c2O)[C@@H]2C(=O)N(c3ccccc3C)C(=O)[C@@H]21 248116416 PPNSPNUKNDEMDO-AKPXLKPYSA-N 452.507 3.029 10 10 JGCE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(N(C)C)c(F)c2)C1 1705929385 PNTQXYJGLBWZHM-FQEVSTJZSA-N 453.566 3.174 10 10 JGCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccc(F)c(F)c3F)cc2)cc1 1859007872 QMDSIMZFMXWLJC-UHFFFAOYSA-N 493.463 3.136 10 10 JGCE CC[C@H](C)[C@H](NC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)C(=O)OC 1860345229 VYBNWDXJYOMOKA-HJPURHCSSA-N 472.545 3.278 10 10 JGCE CCSc1ccc(Cl)cc1CC(=O)NCC(=O)N1CCN(c2ccc(OC)cc2)CC1 1861908928 MQYDKYBCWUSDIQ-UHFFFAOYSA-N 462.015 3.468 10 10 JGCE CCC[C@@H](NC(=O)COc1ccc(C)c(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862195275 NOSBFCJUELUHIW-XMMPIXPASA-N 453.583 3.325 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)C(C)(C)C)CC2)cc1 1862309139 DPYRXQWDRCTDAU-DEOSSOPVSA-N 481.593 3.043 10 10 JGCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2ccncc2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008273 HENACCMKLSRCOF-XMMPIXPASA-N 497.555 3.365 10 10 JGCE CCN(CC)CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC)[C@H]1c1ccc(O)c(O)c1 1864015915 GLOFJDSMLVMLFQ-OAQYLSRUSA-N 491.592 3.134 10 10 JGCE COc1ccc(N2CCN(c3nc(=NC[C@H](C)O)nc(Nc4ccc(Cl)cc4C)[nH]3)CC2)cc1 1871566662 BLACZHFXWQHQAJ-KRWDZBQOSA-N 484.004 3.127 10 10 JGCE COc1ccc(C=C2SC(=S)N(N[C@H]3OC(=O)c4c3ccc(OC)c4OC)C2=O)cc1 2314600180 OZRCQZRCFIKXAW-SFHVURJKSA-N 458.517 3.287 10 10 JGCE C[C@@H](C(=O)c1ccccc1)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326944944 OZQGTGYRQFTHRU-ZDUSSCGKSA-N 466.540 3.351 10 10 JGCE Cc1nc(CN(C)Cc2ccc(C(=O)NCc3ccc4c(c3)CCCN4C)c(=O)[nH]2)cs1 15005260 ARBLKNZUAYANGG-UHFFFAOYSA-N 451.596 3.084 10 10 JGCE COc1cccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCCC(=O)O)c(OC)c3)SC2=S)c1 16912028 AJQPGFDMWPDWCX-WOJGMQOQSA-N 488.543 3.104 10 10 JGCE COc1ccc(N2CCN([C@H](CNS(=O)(=O)CCc3ccccc3)c3ccco3)CC2)cc1 38607165 ODDJUDHSOJABMP-XMMPIXPASA-N 469.607 3.314 10 10 JGCE COc1ccc(N2CCN(C(=O)CCNC(=O)Nc3ccc(Br)cc3)CC2)cc1 107840743 AOITZIFWMGRMDG-UHFFFAOYSA-N 461.360 3.318 10 10 JGCE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(NC(=O)N2CCNCC2)cc1 586666958 WEHSARQENPPFOM-UHFFFAOYSA-N 454.486 3.151 10 10 JGCE Cc1n[nH]cc1CNC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860344966 KUHQZVAZAPGEKV-UHFFFAOYSA-N 452.518 3.312 10 10 JGCE CCOc1cccc(C(=O)N[C@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 1862049629 XGDLLHAOJMJVSP-HSZRJFAPSA-N 471.623 3.294 10 10 JGCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCc1ccccc1F)[C@@H]2c1ccc(O)c(O)c1 1864009473 IDQMMVZBXPJZIW-HXUWFJFHSA-N 452.486 3.163 10 10 JGCE NC1=C(C(=O)NCCCO)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1 1864014381 TWLWLMNIODDCLI-QFIPXVFZSA-N 498.539 3.144 10 10 JGCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1C[C@H](C)O[C@@H](C)C1)[C@H]2c1ccc(O)c(O)c1 1865032116 VZAQGCPJJPAVCQ-QYWGDWMGSA-N 490.560 3.312 10 10 JGCE CCN(CC)CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2cnc[nH]2)C1=O 1873167812 YPPUZSVBSYSKCS-UHFFFAOYSA-N 488.636 3.461 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)C(F)(F)F)CC2)cc1 1874642694 LCKSYDMEFACSEM-NRFANRHFSA-N 474.483 3.115 10 10 JGCE O=C1NC(=S)N(Cc2ccco2)C(=O)C1=Cc1cn(CC(=O)N2CCCCC2)c2ccccc12 2297366468 OFSVWFUAKVSEPA-UHFFFAOYSA-N 476.558 3.074 10 10 JGCE CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@@H]1N=Nc1ccc(S(N)(=O)=O)cc1 2297734916 MWENYTVKNHPHHR-QGZVFWFLSA-N 485.507 3.241 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 2328582172 VWCGRXVHVKWNES-QHCPKHFHSA-N 498.605 3.203 10 10 JGCE C[C@H](C(=O)NCCCCCC(=O)O)N1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1=S 15048147 VXEQKHCYJVXVFW-MKVLZVNKSA-N 456.973 3.397 10 10 JGCE Cc1cc(CCNC(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)c(C)n1-c1ccccc1 726703564 ZXBMJKUYYZAQTM-UHFFFAOYSA-N 462.598 3.222 10 10 JGCE Cc1cc(CCNC(=O)NCCCCN2CCN(c3ncccn3)CC2)c(C)n1-c1ccccc1 729233457 QVTTZWKHVTYJQL-UHFFFAOYSA-N 475.641 3.328 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)c3cnn(-c4cccc(Cl)c4)c3C)CC2)cc1 742919071 BWNPMXMNVGUCLE-UHFFFAOYSA-N 453.974 3.395 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)N(C)CCc4ccncc4)n4ccccc34)CC2)cc1 1858224426 WCUCDJFNNAWDRX-UHFFFAOYSA-N 498.587 3.015 10 10 JGCE Cc1cc(C(=O)CN2CCN(CC=Cc3ccccc3)CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 2040458945 MECLAAODDWBQHO-UHFFFAOYSA-N 492.645 3.255 10 10 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COc1ccc(OCCN2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 1860827281 VXINKJPDABUTDH-VXPUYCOJSA-N 484.555 3.167 10 10 JGCE CCc1cc(C(=O)NC(C)(C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1Cc1ccccc1 1861907261 PWBDDMIHWBHQQG-UHFFFAOYSA-N 489.620 3.360 10 10 JGCE CCC[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861953502 KQDWCNWBPMZRMZ-WYIJSASQSA-N 466.538 3.250 10 10 JGCE CCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864008089 BJESPDNWJBNTOG-LJQANCHMSA-N 454.914 3.466 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 2200951938 DYXWEXSSHXBXFS-SFTDATJTSA-N 469.582 3.172 10 10 JGCE CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(-c4ccc(Br)cc4)o3)C(=N)N21 2297345306 KSRUJBQMRYWQBH-UHFFFAOYSA-N 479.337 3.330 10 10 JGCE CC(=O)N1C(=O)/C(=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c2ccccc21 33326337 OVIBMPSBOYHXAT-CZIZESTLSA-N 490.566 3.154 10 10 JGCE CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C\c3ccc(O)c(OC)c3)SC2=S)cc1 210675343 GKSQSIGQDOEHFO-WOJGMQOQSA-N 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CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@@H]1[C@H](N)CCCN1C(=O)OC(C)(C)C 1952779448 MVDFNUUPBXFLQY-MDZRGWNJSA-N 451.564 3.260 10 10 JGCE COC(=O)c1ccc(COc2ccc(C=C3SC(=S)N(CC(=O)O)C3=O)cc2OC)cc1 2040446884 LTUGQUNYMVHWSZ-UHFFFAOYSA-N 473.528 3.347 10 10 JGCE CC1=NN2C(=N)/C(=C\c3ccc(OCc4cc(=O)n5nc(C)sc5n4)c(Cl)c3)C(=O)N=C2S1 20332034 SYJCUCUIUPVVPE-VMJJHRBXSA-N 499.965 3.331 10 10 JGCE CCn1c(NCc2ccc3c(c2)OCO3)c(/C=C2\SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 40066453 PUZHIHZEOUXGJL-LSCVHKIXSA-N 468.560 3.220 10 10 JGCE CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@](Cc1c[nH]c3ccccc13)(C(=O)O)N[C@H]2c1ccc(N(C)C)cc1 248034196 IYOOOPCLSPKKSZ-NLJXWPIHSA-N 488.588 3.346 10 10 JGCE Cc1ccc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1I 728112177 DJIYAKBQIGTBGF-UHFFFAOYSA-N 466.319 3.481 10 10 JGCE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864010094 PDESTHBACYJEFS-NRFANRHFSA-N 466.513 3.409 10 10 JGCE NC1=C(C(=O)NCCCO)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1 1864014380 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O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 101346683 MVDZMKXNLFGGPH-XMHGGMMESA-N 488.953 3.093 10 10 JGCE Cc1ccc(N2C(=O)[C@@H]3[C@H](c4cc(Br)ccc4O)N[C@](C)(C(=O)O)[C@@H]3C2=O)cc1Cl 248160842 OOXKDMUDIUYIHL-IAGYGMIVSA-N 493.741 3.410 10 10 JGCE CN(C)CCNC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 586629665 NPYJFBPZRROILJ-UHFFFAOYSA-N 456.502 3.397 10 10 JGCE Cc1cc(C(=O)COC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(C)n1-c1ccc2c(c1)OCO2 784387968 HFTPZBJXQFQYSC-OALUTQOASA-N 480.517 3.114 10 10 JGCE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864012697 HBBBCKXWBPCOAV-VBKZILBWSA-N 463.538 3.240 10 10 JGCE CN(C)c1ccc([C@@H](NC(=O)c2c[nH]c3c(ccc4cccnc43)c2=O)c2nccn2C)cc1 1866433093 FGTCTMRBTCUASH-JOCHJYFZSA-N 452.518 3.395 10 10 JGCE CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccc2)C1=O 1873167222 WYLWTAVKDJJGNZ-UHFFFAOYSA-N 456.546 3.100 10 10 JGCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)n4C)CC2)cc1 1873543750 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NQKWHTLCBMECKA-OQLLNIDSSA-N 465.350 3.466 10 10 JGCE COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)Nc1cc(C(=O)OC)ccc1C(=O)OC 205948973 NICLYRWLKXDKCX-FYJGNVAPSA-N 483.452 3.051 10 10 JGCE CC(=O)N1CCC(Cn2c(-c3cc(C)n(-c4ccccc4)c3C)nnc2N(C)[C@H](C)CC(N)=O)CC1 1508204807 XBNHRLFHCLANST-GOSISDBHSA-N 491.640 3.311 10 10 JGCE CC(C)[C@@H](NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21)C(=O)O 1616137948 FPUSHPYGACITLB-ILBGXUMGSA-N 474.561 3.404 10 10 JGCE CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccc(N(C)C)cc3C)C[C@@H]2C)CC1 1760601782 FPUNBRIKMNWENZ-SQJMNOBHSA-N 495.716 3.377 10 10 JGCE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](CC)C(=O)O)sc(C)c1-c1ccc(OCC)cc1 1860762575 KKAQWCMTPFTSBK-HNNXBMFYSA-N 462.524 3.217 10 10 JGCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864012848 KTCDNFCHAVSKDH-NRFANRHFSA-N 478.524 3.407 10 10 JGCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@@H](C)CC)[C@@H]2c1ccc(O)c(O)c1 1864022923 RPQDHLPPCBIVAY-IINYFYTJSA-N 454.449 3.332 10 10 JGCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccco1)[C@H]2c1ccc(O)c(O)c1 1864023164 UWVBSVRZTQKAJS-HNNXBMFYSA-N 478.427 3.327 10 10 JGCE CCC[C@@H](NC(=O)[C@H]1CCCN1Cc1ccccc1F)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868820585 GEVROEQEOKMBKR-CLJLJLNGSA-N 496.627 3.432 10 10 JGCE CCOC(=O)COc1cn(Cc2ccccc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870693849 FGAOOERFZPIOCA-UHFFFAOYSA-N 491.588 3.169 10 10 JGCE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 1890564346 ZAARAMXRKXNNOB-PMVMPFDFSA-N 470.639 3.097 10 10 JGCE CCCCN1C(=O)C(=Cc2c(N3CCN(CC)CC3)nc3c(C)cccn3c2=O)SC1=S 2053511861 MFFALAJNMVCWTJ-UHFFFAOYSA-N 471.652 3.146 10 10 JGCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OC(C)=O 2313558346 YRCSNUGUWKVIBC-UHFFFAOYSA-N 477.242 3.189 10 10 JGCE NC(=O)C[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(Br)cc3)o2)SC1=S 2314540912 AZDZIBSWSNKISM-GFCCVEGCSA-N 481.349 3.239 10 10 JGCE O=C1/C(=C/c2c(NC[C@H]3CCCO3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 33780928 HYZDOWNKVYUOPA-UHVIJJLKSA-N 456.593 3.429 10 10 JGCE C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2c(NCCOCCO)nc3ccccn3c2=O)SC1=S 39729165 UJZNFWZNNDMHAA-DAMBIUFKSA-N 496.614 3.078 10 10 JGCE Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)o1 98031081 XPKBKUNDVONUIS-WQRHYEAKSA-N 476.466 3.483 10 10 JGCE COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@H]3[C@@H](C(=O)C(C)(C)C)N21 101344653 BAGLFPZJZXODHC-HWHRFOGPSA-N 474.513 3.429 10 10 JGCE CN1CCN(C(=O)c2cccc(NC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c2)CC1 586717422 LTPPDJQVFODKQD-UHFFFAOYSA-N 468.513 3.494 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)c3nccnc3-c3nc4ccccc4s3)CC2)cc1 742927095 HZXPFNLJFCFZSQ-UHFFFAOYSA-N 474.590 3.314 10 10 JGCE COC(=O)c1ccc(S(=O)(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCCC3)cc1 747849030 TVLBXZKTTYNXGI-HNNXBMFYSA-N 478.592 3.123 10 10 JGCE COC(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)c2cc(Br)ccc21 1084414340 RCWXGIDKCCXFBS-MFOYZWKCSA-N 488.338 3.371 10 10 JGCE CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc(OC3CCCC3)cc2)N2CCOCC2)cc1 1858075017 ZKADHKZYIPKHRO-RUZDIDTESA-N 473.639 3.426 10 10 JGCE CCC[C@@H](NC(=O)COc1ccccc1CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862279510 QSJNUOKWXBZNHC-HSZRJFAPSA-N 453.583 3.270 10 10 JGCE CN(CC(=O)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1nc2c(S(C)(=O)=O)cccc2s1 1890933925 PJKRINRBYCGRAL-HKUYNNGSSA-N 484.647 3.441 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O[C@@H]1CCN(Cc2ccccc2)C1 2272119607 RDAJJGFCKIHECP-UXHICEINSA-N 456.539 3.351 10 10 JGCE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O[C@@H](C)C(=O)O)c(OCC)c3)C2=O)cc1 2294095405 QYABHGQTNXBLEY-AWEZNQCLSA-N 468.462 3.002 10 10 JGCE CCN1C(=O)C(=Cc2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC1=S 2296546029 IHVWPUSEUNEJDZ-UHFFFAOYSA-N 495.605 3.381 10 10 JGCE O=C(O)CN1C(=O)C(=Cc2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)SC1=S 2296848629 MSQIGQSLTQCGIH-UHFFFAOYSA-N 473.919 3.426 10 10 JGCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=CNC1CCN(Cc2ccccc2)CC1 2296923821 ALZHYBKSJQIRIK-UHFFFAOYSA-N 483.366 3.170 10 10 JGCE COc1cc(C=CC(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)cc(OC)c1OC 2325318576 GWWGWRQUQFMKII-QHCPKHFHSA-N 450.539 3.431 10 10 JGCE Cc1c(/C=C2/SC(=S)N(Cc3ccco3)C2=O)c(N2CCSCC2)n(C)c(=O)c1C#N 33392962 BBYUAAYWZVCQGS-LICLKQGHSA-N 472.617 3.113 10 10 JGCE COC(=O)c1cccc(NC(=O)CSc2nccc(N3CCN(c4ccc(OC)cc4)CC3)n2)c1 35528155 GLADCSZINCMTMQ-UHFFFAOYSA-N 493.589 3.329 10 10 JGCE CC[C@](C)(NC(=O)CCc1ccc(OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861937975 YMURFSIJUXXTDP-SANMLTNESA-N 453.583 3.270 10 10 JGCE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864008774 RUZUQAVBCSQIBM-HSZRJFAPSA-N 483.528 3.057 10 10 JGCE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864017978 ZSQADCFICBOYCQ-SPLOXXLWSA-N 478.549 3.464 10 10 JGCE CCN(CC)CCN1C(=O)C(NCCCCN(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167749 WAXBGBAYSZEQDY-UHFFFAOYSA-N 479.669 3.447 10 10 JGCE CCc1nn([C@@H](c2ccc(OC)cc2O)C(C)(C)C)c(I)c1C(N)=O 2079979023 KFBDAJCXLMQHKL-HNNXBMFYSA-N 457.312 3.499 10 10 JGCE C[C@@H](CCNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)N(C)C(=O)OC(C)(C)C 2200973413 VMVKKOURYYLIJI-RDJZCZTQSA-N 481.590 3.295 10 10 JGCE CCCCCN1C(=O)C(=Cc2c(N3CCOCC3)nc3ccc(C)cn3c2=O)SC1=S 2314414676 IQHZSRMEUMFHAI-UHFFFAOYSA-N 458.609 3.231 10 10 JGCE COc1ccc(C(=O)NN2C(=O)C(=Cc3ccc(OCCC(=O)O)cc3)SC2=S)cc1 2314930634 GYDAVXKKOPQXCB-UHFFFAOYSA-N 458.517 3.095 10 10 JGCE O=C1/C(=C/c2c(NC[C@@H]3CCCO3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 33780926 HYZDOWNKVYUOPA-ZKMNFCBKSA-N 456.593 3.429 10 10 JGCE CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]3ON2CC(=O)NCc2ccccc2)cc1 248048265 MYFXMEQDKXQALA-CYXNTTPDSA-N 490.604 3.044 10 10 JGCE COc1ccc(N2CCC(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)CC2)cc1 726561564 DZPOHVGBDBFGPF-HXUWFJFHSA-N 463.625 3.085 10 10 JGCE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(OCC(=O)OC(C)(C)C)cc3)c2)CC1 1128144618 QZHAKSIQJKMNKS-UHFFFAOYSA-N 453.539 3.328 10 10 JGCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)Cc4ccc(F)cc4)cn3)CC2)cc1 1858432643 DRMUUCGWWLVGPD-UHFFFAOYSA-N 456.543 3.498 10 10 JGCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCCc1ccc(F)cc1)[C@@H]2c1ccc(O)c(O)c1 1864011016 YEYZJUQIPXSMFH-OAQYLSRUSA-N 466.513 3.205 10 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CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864013804 GOBUFOUFOKGILK-NRFANRHFSA-N 477.565 3.488 10 10 JGCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCO[C@@H](c3ccncc3)C2)n1 1869133140 UQPVYXUAKFMPTQ-HSZRJFAPSA-N 460.582 3.347 10 10 JGCE COc1ccc(N2CCN(c3nc(NC(=O)CCCOc4ccc(C)cc4)n(C)n3)CC2)cc1 1869969095 DJVNNEHZLRCAKG-UHFFFAOYSA-N 464.570 3.256 10 10 JGCE C[C@H](Oc1ccc(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1)C(=O)O 2294229409 RFCJEERFGJFOOE-NSHDSACASA-N 475.320 3.132 10 10 JGCE Cc1ccc(-c2ccc(C=C3SC(=S)N([C@H](CC(=O)O)C(=O)O)C3=O)o2)cc1[N+](=O)[O-] 2296885443 VGHNWSDUVHFRBQ-CYBMUJFWSA-N 462.461 3.292 10 10 JGCE CCOCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCCOCC)C1=O 2314413775 HKHMYPTXYLBTDL-UHFFFAOYSA-N 490.651 3.469 10 10 JGCE CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]3ON2CC(=O)NC2CCCCC2)cc1 43252846 SYEKNSHTZLBPLL-GVAUOCQISA-N 482.625 3.176 10 10 JGCE Cc1ccc2nc(NCCCN(C)C)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 98026737 MAEBOXLCGMHPQA-LDADJPATSA-N 483.619 3.361 10 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452.466 3.406 10 10 JGCE COCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2nc3ccccc3[nH]2)C1=O 1873165204 IDCXICWTWAZCOT-UHFFFAOYSA-N 469.545 3.487 10 10 JGCE COc1ccc(N2CCN(c3nc(NCCO)c4cnn(-c5ccc(Cl)cc5)c4n3)CC2)cc1 1873485950 HWCPIFFPNUHOFX-UHFFFAOYSA-N 479.972 3.208 10 10 JGCE CC[C@H](c1ccc(OC)cc1O)n1nc(C(F)(F)F)c(C(N)=O)c1I 2079845473 SKVMUFJXJLHUOC-SECBINFHSA-N 469.201 3.319 10 10 JGCE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]1CO 2178862749 CJKBUQYGFJVLGA-OXQOHEQNSA-N 476.618 3.274 10 10 JGCE CCOC(=O)COc1ccc(Br)cc1C=C1C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 2313558616 FVVOIYQVGXHCJL-UHFFFAOYSA-N 491.269 3.197 10 10 JGCE C[C@H](Oc1ccc(C=C2SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)cc1)C(=O)O 2314926671 PBDAWEHNDTWJOR-JTQLQIEISA-N 473.484 3.341 10 10 JGCE CCOC(=O)c1c(C)sc(-c2c(-c3ccc(OC)c(OC)c3)[nH]c3[nH]c(=O)[nH]c(=O)c23)c1O 86076753 GOCRKUMNUAPDBZ-UHFFFAOYSA-N 471.491 3.148 10 10 JGCE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 100147515 JBCSJPDDCQAKCW-XDHOZWIPSA-N 452.448 3.308 10 10 JGCE CN(C)c1ccc([C@@H]2N=c3ccccc3=C3C(=O)N=C(SCc4ccc(Cl)cc4)NN32)cc1 588227665 RQJMXJIYVNWKTK-HSZRJFAPSA-N 476.005 3.482 10 10 JGCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCC(=O)NC(C)C)[C@@H](C)C1 1540977904 NNSFHWMXEIACGA-FQEVSTJZSA-N 491.640 3.324 10 10 JGCE CCOC(=O)N1CCC(NC(=O)C(=O)Nc2sc(C)c(-c3ccc(C)cc3)c2C(=O)OC)CC1 1860761196 PROADGOHSJXSQH-UHFFFAOYSA-N 487.578 3.494 10 10 JGCE COc1ccc(CCC(=O)N[C@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1861937627 NKVKZSSUCXXZOM-XMMPIXPASA-N 485.650 3.223 10 10 JGCE CCCC[C@@H](NC(=O)Cc1ccc(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862305559 UNXRDSCAZTUJCB-HSZRJFAPSA-N 483.609 3.279 10 10 JGCE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864019519 KYDCOSWUJAHQEQ-QHCPKHFHSA-N 497.555 3.311 10 10 JGCE CC[C@@H](NC(=O)c1nc(C(C)(C)C)n2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868783587 JFVCKZUIMKLJLJ-OAQYLSRUSA-N 477.609 3.498 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3n[nH]c(C)c3-c3ccccc3)C(C)C)CC2)cc1 1869063345 OTGCFAYFCFVGAX-XMMPIXPASA-N 475.593 3.497 10 10 JGCE CCCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870477237 ABRBPJDCCQBNOH-UHFFFAOYSA-N 471.598 3.310 10 10 JGCE CCN(C[C@@H](C)NC(=O)OC(C)(C)C)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200952526 JSSCXABEQMCZLG-WBVHZDCISA-N 481.590 3.295 10 10 JGCE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(OC)c3O)C2=O)cc1 2294005074 XXBWXISURWDINM-UHFFFAOYSA-N 461.268 3.228 10 10 JGCE COc1ccc(C=C2SC(=S)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 2296885161 GOELLQMDQCDQNU-UHFFFAOYSA-N 459.505 3.452 10 10 JGCE C[C@H](C(=O)NCCCC(=O)O)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314836920 LTGUMERXKQHPCU-SNVBAGLBSA-N 457.371 3.020 10 10 JGCE COc1ccc(S(=O)(=O)n2nc(-c3ccco3)nc2NCc2ccc(N(C)C)cc2)cc1 8614978 YOWIFFNLUAWVGF-UHFFFAOYSA-N 453.524 3.462 10 10 JGCE COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)NC(=O)CO4)c(C)s2)cc1OC 11857661 KKVBAUQWSFCROO-UHFFFAOYSA-N 461.521 3.267 10 10 JGCE CCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc(NC(C)=O)cc4)n3)cc21 11857870 ZIAZJLPDVSZRKZ-UHFFFAOYSA-N 472.548 3.315 10 10 JGCE O=C(O)CCCN1C(=O)/C(=C\c2cn(CC(=O)N3CCCC3)c3ccccc23)SC1=S 1860826595 JAHISJPEIBQJRG-LDADJPATSA-N 457.577 3.330 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3c(Cl)ccc(Cl)c3OC)CC2)cc1 1861968270 NPLUOEBBGUTMSL-CQSZACIVSA-N 466.365 3.478 10 10 JGCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1cccnc1)[C@H]2c1ccc(O)c(O)c1 1864016202 JMZUQYRKKMMQOV-NRFANRHFSA-N 483.528 3.387 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nonc3OCC(=O)Nc3ccc(C)cc3Cl)CC2)cc1 1872672773 PJHLRDRBQLDZMS-UHFFFAOYSA-N 485.928 3.020 10 10 JGCE COCCN1C(=O)C(NCc2ccc(C(=O)OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164977 BOSKMUULZHRNLC-UHFFFAOYSA-N 487.556 3.397 10 10 JGCE COCCN1C(=O)C(=Cc2ccc(OCC(=O)Nc3ccccc3OC)cc2)C(C(=O)OC)=C1C 2297453985 UEWWVVKRVOVORT-UHFFFAOYSA-N 480.517 3.032 10 10 JGCE Cc1ccccc1COc1ccc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1 2297499300 PRWHRFLVPVZDHG-UHFFFAOYSA-N 454.533 3.195 10 10 JGCE 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IODHRKMPLDEQHN-BTWTVLLVSA-N 486.531 3.111 10 10 JGCE COc1ccc(OC)c(S(=O)(=O)N(C(C)=O)c2cccc3c2C(=O)c2ccccc2C3=O)c1 586284959 GNGIOSODAGRWAW-UHFFFAOYSA-N 465.483 3.221 10 10 JGCE CCc1sc(NC(=O)C(=O)NC(C)(C)CO)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763686 NBUGWFKIDJEBGT-UHFFFAOYSA-N 483.384 3.352 10 10 JGCE CCCn1cc(OCC(=O)N2CCC(C)CC2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870493216 DOADOVAENVKRHK-UHFFFAOYSA-N 496.652 3.226 10 10 JGCE Cc1ccc2nc(N3C[C@@H](C)C[C@@H](C)C3)c(C=C3SC(=S)N(CCC(=O)O)C3=O)c(=O)n2c1 2314401480 ZYRCHKNGMCYIBQ-GASCZTMLSA-N 486.619 3.161 10 10 JGCE C[C@@H](NC(=O)CCN1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S)C(=O)O 2314827729 LGSYAPOMXGDIJX-OAHLLOKOSA-N 470.572 3.446 10 10 JGCE CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(C)C3=O)c3ccccc32)cc1 33889647 UAOIFPPTDPNVNB-VHEBQXMUSA-N 481.555 3.050 10 10 JGCE COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccc(F)cc1 96459673 DQIPCGOCKFQGOB-MRDWGVERSA-N 488.522 3.035 10 10 JGCE COc1ccc(N2CCN3c4ccc([N+](=O)[O-])cc4C[C@@H](C(=O)NCc4ccco4)[C@@H]3C2)cc1 104915545 XTMTYRQEBFGZMI-VWNXMTODSA-N 462.506 3.380 10 10 JGCE O=C1[C@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])C1(O[C@H]2c2ccccc2)C(=O)c2ccccc2C1=O 106597531 WJHWBWAJIUWKAC-HBMCJLEFSA-N 468.421 3.290 10 10 JGCE CCCOC(=O)CCN1C(=O)/C(=C/c2ccc(OCC(=O)N(CC)CC)cc2)SC1=S 206849898 WECHSKDLKNYAMH-JXAWBTAJSA-N 464.609 3.478 10 10 JGCE O=C(Nc1ccc(C(=O)N2CCNCC2)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 586711745 BOTUHSYNFMDMLT-UHFFFAOYSA-N 454.486 3.151 10 10 JGCE COc1ccc(N2CCN(C(=O)CCN=c3nc(O)c4c(ccc5ccccc54)[nH]3)CC2)cc1 1858538406 NGTQKRHCTVJZPB-UHFFFAOYSA-N 457.534 3.070 10 10 JGCE Cc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C(F)(F)F)c1)=C(N)O2 1864008543 MJVMMDZTJPXTGO-SFHVURJKSA-N 474.439 3.170 10 10 JGCE CC(C)[C@H](C(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)cc1 1866969349 PJAUQILADYUGBI-PKTZIBPZSA-N 488.515 3.457 10 10 JGCE CCCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870422068 OPWLPYHPWPYSNA-UHFFFAOYSA-N 471.598 3.167 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cc(C)n(-c4cccc(F)c4)c3C)C(=N)N21 2297345754 YYWGCKCUCVQYBN-UHFFFAOYSA-N 459.528 3.245 10 10 JGCE Cc1cccc(N2C(=O)NC(=O)C(=CNc3ncc(Br)cc3Br)C2=O)c1 2297511556 KZCSDHMLRKEZPY-UHFFFAOYSA-N 480.116 3.494 10 10 JGCE O=C(O)[C@@H](Cc1cnc[nH]1)N1C(=O)C(=Cc2ccc(Br)cc2F)SC1=S 2323718700 RBZPUKMLNIOAHQ-GFCCVEGCSA-N 456.318 3.208 10 10 JGCE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)NCCCCCC(=O)O)C2=O)cc1 210726562 YXAPCESKRWYDPX-SAPNQHFASA-N 450.582 3.438 10 10 JGCE CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3ccccc3)C(=O)c3ccccc3C2=O)cc1 253561691 CJUFMDQVHKYPTQ-ZRBLBEILSA-N 480.476 3.340 10 10 JGCE CC[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1C(=O)c2cccc(OC)c2C1=O 1865842188 XDJKNFCDRWCRDM-IBGZPJMESA-N 468.465 3.484 10 10 JGCE CC(=O)Oc1ccc(C(=O)N[C@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867717837 FXOFMNIZWVIYCB-KBMIEXCESA-N 480.609 3.140 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)Cc3nc(-c4ccccc4C)oc3C)CC2)cc1 1868630832 ZXLUWNDWBUJEKQ-IBGZPJMESA-N 476.577 3.363 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)CCC(=O)c3ccc(C)cc3C)CC2)cc1 1868930369 CHFIIVPGZVLYDO-FQEVSTJZSA-N 451.567 3.128 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C3(c4ccc(N)cc4)CCCCC3)CC2)cc1 1868931889 LAJZVIJZTGUPRN-HXUWFJFHSA-N 464.610 3.333 10 10 JGCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3cc(C)n(-c4cccc(C)c4)c3C)C(=O)N=C2S1 2297346435 CDBMOZQEEBAJSR-UHFFFAOYSA-N 455.565 3.414 10 10 JGCE O=c1cc2nc(-c3ccco3)nc(SCc3cc(=O)n4nc(C5CCCCC5)sc4n3)n2[nH]1 20987027 ZETSWHFLVSOUOO-UHFFFAOYSA-N 481.563 3.482 10 10 JGCE COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 33721721 ZEENKZSWJPPPKD-GVFUYMABSA-N 490.556 3.233 10 10 JGCE CC(=O)N1CCN(c2ccc(N/C=C3\C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3O)cc2)CC1 102549553 QRMGFNYBISLMES-ZHZULCJRSA-N 467.913 3.428 10 10 JGCE COCCN(CCOC)C(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1860347567 YAJAZMUMCSCNLC-MHZLTWQESA-N 490.604 3.300 10 10 JGCE COc1ccc(N2CCN(c3nc(Nc4ccc(NC(C)=O)cc4)ncc3[N+](=O)[O-])CC2)cc1 1871301182 WSJRRRFAVWEFCG-UHFFFAOYSA-N 463.498 3.422 10 10 JGCE CCN(CC)c1ccc(C=C2C(=O)NC(=S)N(c3cc(OC)ccc3OC)C2=O)c(O)c1 2293641263 RJQICGLRFVSXSK-UHFFFAOYSA-N 455.536 3.087 10 10 JGCE O=C(O)COc1c(Br)cc(Br)cc1C=C1SC(=S)NC1=O 2314954907 LKNYWBIQQJMYIX-UHFFFAOYSA-N 453.133 3.164 10 10 JGCE Cc1csc2nc(Cl)c(C=C3SC(=S)N(CCc4ccc(S(N)(=O)=O)cc4)C3=O)n12 2323840367 SJRWFYXGZSKJGO-UHFFFAOYSA-N 499.064 3.449 10 10 JGCE CCC[C@@H](NC(=O)C=Cc1ccc(OC)cc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330492456 XVNSLJAUTSEPHR-XMMPIXPASA-N 481.593 3.359 10 10 JGCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccccc4Cl)C3=O)c(NCCO)nc12 33795849 LJPZHDHDEQUFSL-BOPFTXTBSA-N 487.006 3.462 10 10 JGCE COc1ccc(N2CCN(C(=O)CCS(=O)(=O)c3cc(-c4cc(C)no4)ccc3OC)CC2)cc1 64866644 GJVANOZLMWJOGU-UHFFFAOYSA-N 499.589 3.180 10 10 JGCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)ccc1OCCO 1084030025 NPMBMYZJPFXLTO-GDNBJRDFSA-N 489.322 3.112 10 10 JGCE CC(=O)N(C)C1CCN(c2nnc(-c3cccnc3)n2CCCSc2nccs2)CC1 1540930519 USVCRJPGHCZITL-UHFFFAOYSA-N 457.629 3.426 10 10 JGCE CC(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCSCC3)cc2)[C@H](C)C1 1540973995 FYIAHLUYCIPGBW-GOSISDBHSA-N 456.660 3.234 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cnc(Cc4ccc(F)cc4)s3)cc2)CC1 1616251705 IXEWBTLDNOUDIL-UHFFFAOYSA-N 452.555 3.472 10 10 JGCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864013401 AUIIIZFVKSBBMD-HXUWFJFHSA-N 463.538 3.063 10 10 JGCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCN(C)C)[C@H]2c1ccc(O)c(O)c1 1864015682 CVESLOJQDOWGLR-NRFANRHFSA-N 491.592 3.134 10 10 JGCE CCCC[C@H](NC(=O)[C@H](c1ccccc1)N(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868674970 HJIYBYCGFFSLOJ-DQEYMECFSA-N 466.626 3.322 10 10 JGCE CCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871541710 GHSZPTUJRMIRQN-UHFFFAOYSA-N 493.612 3.023 10 10 JGCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)cc1 2296567601 XJFYTWNTCAMQPW-UHFFFAOYSA-N 460.402 3.457 10 10 JGCE COC(=O)c1ccc(N2NC(=O)C(=Cc3ccc(OC(=O)c4cccs4)c(OC)c3)C2=O)cc1 2297577862 DYWWXTMPBSOIJD-UHFFFAOYSA-N 478.482 3.224 10 10 JGCE COCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)NCCc3ccccc3)c3ccccc32)SC1=S 33888576 KMGFQBIFZKIZAE-QURGRASLSA-N 495.626 3.000 10 10 JGCE CCOc1cc(/C=C2\C(=N)N3C(SCC(C)C)=NSC3=NC2=O)ccc1OS(C)(=O)=O 96459475 FEFWHZNIABFBLS-HOMCDIFHSA-N 482.609 3.390 10 10 JGCE CCN(C)c1cccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2I)c1 110155370 YIYGWTIECMAMGK-UHFFFAOYSA-N 487.363 3.250 10 10 JGCE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(N(C)C)c(F)c2)C1 1705929386 PNTQXYJGLBWZHM-HXUWFJFHSA-N 453.566 3.174 10 10 JGCE CC(=O)N(C)C1CCN(c2nnc(Cc3cccnc3)n2CCCSc2nccs2)CC1 1741011915 NFDIMSHGYSXKJD-UHFFFAOYSA-N 471.656 3.350 10 10 JGCE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864012504 BKFXEHMUKMKULS-NRFANRHFSA-N 478.524 3.407 10 10 JGCE COc1ccc(CN2C(=O)c3ccc(C(=O)Nc4ccc(OC)cc4C(=O)O)cc3C2=O)cc1 1865877962 CDRGRCQVMVTTGX-UHFFFAOYSA-N 460.442 3.451 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCc4ccccn4)[nH]c(=Nc4ccccc4C)[nH]3)CC2)cc1 1871485374 XGJUAGBXUTWUIR-UHFFFAOYSA-N 482.592 3.110 10 10 JGCE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3CCOCC3)ncnc21 1873552130 ILQNNWIEQSJMNY-UHFFFAOYSA-N 478.597 3.039 10 10 JGCE O=C(CC[C@H]1NC(=O)N(c2ccccc2)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874180671 JTXHMVLZDIIAHU-HXUWFJFHSA-N 453.454 3.306 10 10 JGCE CSc1ccc(C=C2SC(=O)N(CCNC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)C2=O)cc1 2040437185 LZLQTRLKFQIALK-YCRPNKLZSA-N 477.633 3.015 10 10 JGCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H](CN)c1nn(C)cc1I 2194909132 DWTWPYTVLJVRKH-MRXNPFEDSA-N 485.370 3.186 10 10 JGCE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(S(=O)(=O)N2CCCCC2)cc1 2297512478 MVDZMKXNLFGGPH-UHFFFAOYSA-N 488.953 3.093 10 10 JGCE COc1cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)ccc1OCc1cc(=O)n2nc(C)sc2n1 104709418 COHHWSWIYWSIKN-MISVMKEBSA-N 494.558 3.214 10 10 JGCE O=C1c2ccccc2C(=O)c2cc(NC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)ccc21 1858624748 HNISDDNHMXRAGJ-UHFFFAOYSA-N 493.516 3.140 10 10 JGCE 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COc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I 2313559208 UCMRJHWUBZBDFY-UHFFFAOYSA-N 482.274 3.270 10 10 JGCE CCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(C(=O)OC)cc3)c3ccccc32)SC1=S 2532978 NGSUIZHBOGGGLK-VHEBQXMUSA-N 481.555 3.050 10 10 JGCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)CC1 226747269 YVSKSSXGHOZZQE-TXTKFYIRSA-N 454.552 3.357 10 10 JGCE CCCOc1cn(-c2ccccc2)nc1C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 728518402 HPPCPNJFQOWYDD-UHFFFAOYSA-N 463.582 3.222 10 10 JGCE Cc1cc(C(=O)COC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c(C)n1-c1ccc2c(c1)OCCO2 800355227 CTUREJQSRUFJPZ-UUOWRZLLSA-N 470.547 3.045 10 10 JGCE CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 1687155211 IHRRJSMHKRRNII-RUZDIDTESA-N 456.631 3.360 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)CSC(C)C)CC2)cc1 1861877692 HVYKGJYOCTUHGZ-HSZRJFAPSA-N 473.614 3.352 10 10 JGCE CCC[C@H](NC(=O)COc1cccc(C)c1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862193426 VHENXWWLIKOTRI-QHCPKHFHSA-N 453.583 3.325 10 10 JGCE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(I)o1 2294118737 WGRLXDCZHQYEMW-UHFFFAOYSA-N 487.047 3.313 10 10 JGCE Cc1ccc(COc2cccc(C=C3SC(=S)N([C@H](CC(N)=O)C(=O)O)C3=O)c2)cc1 2314542710 YKANTGKLSNBKHO-QGZVFWFLSA-N 456.545 3.104 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4C)cc3)C(=N)N21 20206475 WDEQATHERPPTEA-CQNRAENFSA-N 498.586 3.464 10 10 JGCE CCN(CC)c1ccc(CN(CCN(C)C)C(=O)COc2ccccc2)c(OS(=O)(=O)CC)c1 34921502 CKPWDRJSCGTVCS-UHFFFAOYSA-N 491.654 3.231 10 10 JGCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)cccc21 170562814 ZZYBTWNQCTXOGH-CQSZACIVSA-N 454.438 3.182 10 10 JGCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1 727490644 RCWLTBUUGNYRSU-IBGZPJMESA-N 463.943 3.005 10 10 JGCE COCCOC(=O)[C@@H](C)Oc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858854672 PJZLJUCEGOCYBQ-OAHLLOKOSA-N 489.484 3.458 10 10 JGCE COCCN(CCOC)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(C(C)(C)C)n1 1867967450 VNVUNWPEZWOJOT-UHFFFAOYSA-N 457.619 3.209 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCCCO)nc(Nc4ccc(Cl)cc4C)[nH]3)CC2)cc1 1871570687 HJMLSKYJDWGICH-UHFFFAOYSA-N 484.004 3.128 10 10 JGCE COCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(F)cc3)c3ccccc32)SC1=S 2296538524 VFJHVTPEHBVLAV-UHFFFAOYSA-N 471.535 3.029 10 10 JGCE COCCCN1C(=O)C(=Cc2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 2296716238 OUGQPSJGAFKNAQ-HZPDHXFCSA-N 472.636 3.415 10 10 JGCE CCOc1cc(C=C2C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)ccc1OS(C)(=O)=O 2297344677 HDZKBSROLKESHI-UHFFFAOYSA-N 484.559 3.286 10 10 JGCE O=C1C(=Cc2c(NCCO)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1Cl 2314414439 YWINYSMGEPQLOM-UHFFFAOYSA-N 472.979 3.154 10 10 JGCE COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2C)cc1Cl 96460142 IBJDLRHCCIULFA-FRYOISGKSA-N 491.982 3.377 10 10 JGCE Cc1c(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)sc2nc(CN(C)C)[nH]c(=O)c12 169866114 FPUHBIRCTGDXTO-UHFFFAOYSA-N 472.526 3.382 10 10 JGCE COc1ccc(-c2csc(N3N=C(C)[C@H](N=Nc4ccc(S(N)(=O)=O)cc4)C3=O)n2)cc1 575732634 GFTVOBFXJOFBRF-SFHVURJKSA-N 470.536 3.341 10 10 JGCE CC(C)N1C[C@H](NC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)CC1=O 1860347498 RRHPUNYKKQMGRT-WHLCRQNOSA-N 499.615 3.304 10 10 JGCE Cc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC(C)(C)C)=C(N)O2 1864008894 UTHYIZDVSCOOFI-NRFANRHFSA-N 478.549 3.328 10 10 JGCE NC1=C(C(=O)NC2CC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3)c2O1 1864016081 ZUGDDHHRMMXUDJ-QGZVFWFLSA-N 486.450 3.335 10 10 JGCE COCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1864016121 HWNWXCISTZJIAJ-OAQYLSRUSA-N 492.576 3.465 10 10 JGCE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1c[nH]c3ccccc13)=C(N)O2 1864018312 IBUBSLNEDNOWHF-JOCHJYFZSA-N 487.560 3.411 10 10 JGCE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865026781 RVTTZQWSYYMKJP-LHSJRXKWSA-N 461.522 3.083 10 10 JGCE C[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@@H]2c2ccc(O)c(O)c2)C1 1865032104 VSNFNHFFCXWNEI-QRWLVFNGSA-N 460.534 3.451 10 10 JGCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N(C(=O)[C@@H]2CCCN2)c2cc(C)on2)n1 1869121136 NSSHAZASUWBQOC-NRFANRHFSA-N 491.596 3.087 10 10 JGCE CCCc1nc(N2CCC(CN3CCOCC3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869213082 LRQIHAAZBQJZGW-UHFFFAOYSA-N 494.684 3.313 10 10 JGCE CC[C@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 64776131 RCPSREQLKFVQGZ-JOCHJYFZSA-N 459.550 3.197 10 10 JGCE CCCNc1cc(N2CCC[C@H](CCC(=O)NCc3ccc(N4CCOCC4)cc3)C2)ncn1 65244904 MWSAVBXFGKXWQV-JOCHJYFZSA-N 466.630 3.448 10 10 JGCE C[C@H](C(=O)OC1CCCCC1)N1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860826786 MVCDILFTTVHMHA-LTFJSZEESA-N 488.587 3.344 10 10 JGCE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864010579 OBDJCJXYPRKVGD-QFIPXVFZSA-N 492.576 3.472 10 10 JGCE COc1ccc(N2CCN(c3nc(NC(=O)[C@@H]4CCCO4)n(-c4cccc(Cl)c4)n3)CC2)cc1 1869970916 SQNWWQLQIOPWPN-NRFANRHFSA-N 482.972 3.373 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN3CCOCC3)C(=O)N(Cc3ccccn3)C2=O)cc1 1873169856 ZGUULLOHPVMMAN-UHFFFAOYSA-N 499.615 3.081 10 10 JGCE CC(C)CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(Br)cc3)C(=N)N21 2297345508 CXNGBFNFQXIODM-UHFFFAOYSA-N 455.359 3.097 10 10 JGCE COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(N2CCOCC2)cc1 1126562 DPNLKIHDSGOAQW-XSFVSMFZSA-N 471.966 3.324 10 10 JGCE COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)ccc1OCC(=O)O 16915157 DIWCZSABGYWJMM-CXUHLZMHSA-N 478.935 3.358 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc(-c5cccs5)no4)C3)CC2)cc1 31056562 IIAPLJUIBLZXNE-GOSISDBHSA-N 467.595 3.368 10 10 JGCE CCN(CC)c1c(/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c(=O)n1CC 33478139 TWJZOLUABOKYGR-CLXYIWAZSA-N 460.625 3.275 10 10 JGCE COc1cccc([C@@H]2N[C@](C(=O)O)(c3ccccc3)[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]32)c1O 248128549 WGWKIAKNWYUOGK-RRHHDSEZSA-N 472.497 3.139 10 10 JGCE CCc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@](C)(C(=O)O)N[C@H]3c2cc(Br)ccc2O)cc1 252020908 YIRNOHVHXXNZFZ-RQXXJAGISA-N 473.323 3.011 10 10 JGCE CCN(CC)c1ccc(CN(C[C@@H](O)COc2cccc(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 256039023 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RVGSRDAHUHWWDE-NQIIRXRSSA-N 469.582 3.267 10 10 JGCE Cc1ccc(S(=O)(=O)NC2=NC(=O)C(=Cc3ccc(I)o3)S2)cc1 2296757612 AJURUBWOPAWHHI-UHFFFAOYSA-N 474.301 3.141 10 10 JGCE COc1ccc(/C=C2\SC(=S)N(CCC(=O)N(C)CC(=O)c3ccc(O)c(O)c3)C2=O)cc1 95927120 SYOMLFMANBAABJ-JAIQZWGSSA-N 486.571 3.039 10 10 JGCE NS(=O)(=O)c1ccc(CCN2C(=O)/C(=C\c3ccccc3OC(F)F)SC2=S)cc1 206400268 ZTBBSRZECZCXIE-LFIBNONCSA-N 470.544 3.379 10 10 JGCE Cc1ccc(CN(C(=O)CN2C(=O)/C(=C\c3ccccc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 207327345 RYQXNZZKSXAPOM-HDZGYNCQSA-N 490.628 3.005 10 10 JGCE CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(N(C)C)cc2C)[C@@H](C)C1 1596234177 AKWHVOKGXWIRCU-SFHVURJKSA-N 452.628 3.410 10 10 JGCE CCOc1ccc(/C=C/C(=O)N2CSC[C@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862158594 HDRHNRPSFOEQQU-FCHBTLIASA-N 481.618 3.357 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(O)c(O)c1 1864008287 HLXDFEOKFRXIDK-SFHVURJKSA-N 485.338 3.185 10 10 JGCE CC(C)[C@@H](C(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C)N1C(=O)c2ccccc2C1=O 1865901352 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490.604 3.434 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@@H]3CCCCO3)c3ccccc3)CC2)cc1 1869049963 SNQZVEGGMKHEFT-ZCYQVOJMSA-N 451.567 3.161 10 10 JGCE COc1cc2nc(C)n(CC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(=O)c2cc1OC 1874017009 KXSPYNLTJGCZIY-UHFFFAOYSA-N 483.480 3.136 10 10 JGCE COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OC(C)=O 2313558455 BEKJOCPBUUCJKJ-UHFFFAOYSA-N 493.310 3.353 10 10 JGCE CCN1C(=O)NC(=O)C(=Cc2cc(C)n(-c3sc4c(c3C(=O)OC)CCCC4)c2C)C1=O 2313631313 KSWYMDHSVVHWSB-UHFFFAOYSA-N 455.536 3.303 10 10 JGCE O=C(O)CCOc1ccc(C=C2SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)cc1 2314926235 DRLKMHNOVNFJEA-UHFFFAOYSA-N 473.484 3.342 10 10 JGCE CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCc4ccccc4F)cc3)C(=O)N=C2S1 20207654 NQOJGRZSCDOSKP-JJJWLNEWSA-N 458.496 3.026 10 10 JGCE CCCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(C)CC2)SC1=S 33467677 CSNKVBUGHKDTCA-XMHGGMMESA-N 473.668 3.192 10 10 JGCE CN(C)c1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2C(=O)/C=C2\SC(=O)NC2=O)cc1 72413331 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COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N[C@@H](C)C(=O)O)C2=O)cc1OC 15044955 NSFXBGWCWCXZAT-IGWPVBGESA-N 466.581 3.055 10 10 JGCE C[C@@H](NC(=O)[C@@H](C)N1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S)C(=O)O 15048516 XDMFUPAGPGSVJT-AQTHXTHPSA-N 470.572 3.445 10 10 JGCE CN(C)c1ccc([C@@H]2N[C@](Cc3ccccc3)(C(=O)O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)cc1 248066915 RKUMUQWCVLWFBY-ANARSLNQSA-N 483.568 3.264 10 10 JGCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526310760 SUYASGZGJVWWEW-JOCHJYFZSA-N 482.514 3.201 10 10 JGCE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCSc1nccs1 1705607008 NDWFZBMFTIUFQQ-UHFFFAOYSA-N 461.638 3.447 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)NCc4ccccc4)c4ccccn34)CC2)cc1 1858223684 APYRMYIZGJBQQA-UHFFFAOYSA-N 469.545 3.235 10 10 JGCE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864009319 FGNGKDYDSKIIOF-QFIPXVFZSA-N 462.550 3.312 10 10 JGCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1cccnc1)[C@H]2c1ccc(O)c(O)c1 1864022056 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CC[C@](C)(NC(=O)C=Cc1ccc(OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328517590 BBYHXENPIDJBME-SANMLTNESA-N 451.567 3.351 10 10 JGCE COC(=O)c1ccccc1NC(=O)CSc1nccc(N2CCN(c3ccc(OC)cc3)CC2)n1 33309930 YEAWLMVHDOHLNQ-UHFFFAOYSA-N 493.589 3.329 10 10 JGCE CCn1c(N2CCOCC2)c(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c(C)c(C#N)c1=O 33474240 QJBPYLTXAMMFBY-DEDYPNTBSA-N 480.615 3.286 10 10 JGCE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(\C)Nc1cc(OC)c(OC)cc1C(=O)OC 205949053 QMAYDKJBHXPUIM-OEAKJJBVSA-N 497.504 3.151 10 10 JGCE O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C(=O)Nc1ccc2c(c1)CCCO2 726286117 LEFNEANWIBNZIO-UHFFFAOYSA-N 463.456 3.122 10 10 JGCE C[C@@H](Oc1ccccc1/C=C1/SC(=S)N([C@H](Cc2ccccc2)C(=O)O)C1=O)C(=O)O 1614234150 DJFYIMHVZQHGDD-LIRJSKHBSA-N 457.529 3.436 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)Cc3c[nH]c4ccccc34)CC2)cc1 1862071054 SEOZGCAMHRYSQD-XMMPIXPASA-N 480.634 3.306 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)COc3cc(C)c(Cl)c(C)c3)CC2)cc1 1862174369 NTYDOLNQAKOXOE-SFHVURJKSA-N 459.974 3.198 10 10 JGCE 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O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)cccc21 1874179502 HNDVYQFXGUJVQL-OAHLLOKOSA-N 468.465 3.225 10 10 JGCE Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)c1 1892091132 BRSYCMBUWGTHQP-ODGPQVTHSA-N 453.608 3.453 10 10 JGCE Cc1nn2c(=O)cc(COc3ccc(C=C4C(=N)N5N=C(C(C)C)SC5=NC4=O)cc3)nc2s1 2297350789 UTFUOGJXLAUHQC-UHFFFAOYSA-N 493.574 3.314 10 10 JGCE CC[C@@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccccc3O)C2=O)c1)C(=O)O 2314926203 DELSAPAVNQZFRU-MRXNPFEDSA-N 458.517 3.180 10 10 JGCE O=C(O)COc1ccccc1C=C1SC(=S)N(NC(=O)c2ccccc2Br)C1=O 2314931048 LKDFHFCDXDORMP-UHFFFAOYSA-N 493.360 3.459 10 10 JGCE Cc1ccccc1OCCCOc1ccc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1 20207904 XXXJXUZJYMETGZ-ZBXKHPAOSA-N 498.586 3.464 10 10 JGCE COc1cc(/C=C2\C(=O)NN(c3ccc(I)cc3)C2=O)cc(Cl)c1O 33403530 WTRUIEDVUPHPDS-WUXMJOGZSA-N 470.650 3.120 10 10 JGCE COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3cccn3C)C[C@@H]2c2ccccc2OC)cc1 35962442 TYAYFGOEQREXKZ-HSZRJFAPSA-N 460.534 3.492 10 10 JGCE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1OCC(=O)O 210458744 UMYUQNVAHBUEEP-WQRHYEAKSA-N 472.544 3.403 10 10 JGCE O=C(CCCN1C(=O)/C(=C\c2ccc(O)cc2O)SC1=S)Nc1ccc(C(=O)O)cc1 210720834 ZKYDVZLRJGTAIV-LICLKQGHSA-N 458.517 3.416 10 10 JGCE CC(=O)[C@H]1CC(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)=NN1c1ccccc1 1465951560 NLHAXBHMPSQSPN-DENIHFKCSA-N 454.958 3.350 10 10 JGCE CCCNC(=O)C(=O)Nc1sc(C)c(-c2ccc(OCC(=O)N(CC)CC)cc2)c1C(=O)OC 1860763636 KTBPPNLFMFBWGT-UHFFFAOYSA-N 489.594 3.222 10 10 JGCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1cccnc1)[C@@H]2c1ccc(O)c(O)c1 1864022057 JRLQFQKYJNGKHN-MRXNPFEDSA-N 489.454 3.129 10 10 JGCE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccccc3)CC1)[C@@H]2c1ccc(O)c(O)c1 1865029376 LVBTVOFHVRUTBY-HSZRJFAPSA-N 489.576 3.056 10 10 JGCE CC[C@H](NC(=O)c1cc(-c2ccncc2)[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867162791 VZUDSJBWJRDVLE-IBGZPJMESA-N 479.496 3.394 10 10 JGCE CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2ccc(F)cc2)C1=O 1873166952 MKZPHVPAGMJOKS-UHFFFAOYSA-N 488.563 3.282 10 10 JGCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C(C)C)C3=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12 2296705180 ZMOMTJLGTKTMSG-GJZGRUSLSA-N 458.609 3.226 10 10 JGCE CCOC(=O)COc1ccc(C=C2C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC 2297327455 SFYMZUJKOHDSMX-UHFFFAOYSA-N 465.289 3.405 10 10 JGCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C2=O)cc1 2313548371 UMITYVRTYLIAKH-UHFFFAOYSA-N 450.451 3.260 10 10 JGCE COc1ccc(NC(=O)CN2C(=O)C(=Cc3cc(OC)c(O)c(OC)c3)SC2=S)cc1 2314827851 NUXUUFVKTWRBCU-UHFFFAOYSA-N 460.533 3.258 10 10 JGCE COc1cccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCCC(=O)O)cc3)SC2=S)c1 16907897 GHNXRTBAXOJWRK-GZTJUZNOSA-N 458.517 3.095 10 10 JGCE CCOc1ccc(N(CC)S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(N(C)C)cc3)C2)cc1 20511865 TUZZAUPZNXJNJJ-OAQYLSRUSA-N 488.654 3.251 10 10 JGCE CC1(C)OC(=O)C(=Cc2ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)C(=O)O1 59462327 MKHMMGPUOUOSSZ-UHFFFAOYSA-N 451.479 3.137 10 10 JGCE CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)NCc3ccc(N4CCOCC4)cc3)ccc21 1621688380 RKHYXISCAXBULA-UHFFFAOYSA-N 457.596 3.036 10 10 JGCE CC(=O)N(C)c1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cn1 1625797438 OKSLGQRRJITVMM-UHFFFAOYSA-N 451.449 3.241 10 10 JGCE CC[C@@H](NC(=O)COc1ccc(Cl)c(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862191326 MWFPMKJPFGVDOU-JOCHJYFZSA-N 459.974 3.279 10 10 JGCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1 1864007129 GMLQDMSCYBMGEY-ZSEKCTLFSA-N 464.522 3.210 10 10 JGCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2 1864007793 VECCPJBSWFXOIL-OAQYLSRUSA-N 498.967 3.219 10 10 JGCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2 1864019772 QMGRQEWARNDJDH-FQEVSTJZSA-N 498.967 3.347 10 10 JGCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc(F)cc1 1865513972 IKKMCVNANKLWRH-HSZRJFAPSA-N 491.567 3.403 10 10 JGCE COc1cccc2c1C(=O)N([C@@H](C)C(=O)Nc1ccc3c(c1)C(=O)c1ccccc1C3=O)C2=O 1865836373 XYOGOGYXAJYDPB-ZDUSSCGKSA-N 454.438 3.094 10 10 JGCE CCOC(=O)c1ccc(-c2ccc(C=C3SC(=S)N([C@H](CC(=O)O)C(=O)O)C3=O)o2)cc1 2040586084 UTFMGRSJEXQACB-CQSZACIVSA-N 475.500 3.252 10 10 JGCE COc1ccc(N2C(=O)C(=Cc3cc(Br)cc(OC)c3OC)C(=O)NC2=S)cc1 2294253402 NOWPVOYAFWFFMR-UHFFFAOYSA-N 477.336 3.306 10 10 JGCE Cc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1 20208086 RNYVXFCOOQGECV-QICLDNETSA-N 461.956 3.369 10 10 JGCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)CCCOc3ccccc3)cc2)cc1 1858955408 AIHJXQOICUBOJQ-UHFFFAOYSA-N 483.546 3.222 10 10 JGCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCCc1cn(C)c3ccccc13)[C@H]2c1ccc(O)c(O)c1 1864009413 GWSXZHQXVJMAKM-QHCPKHFHSA-N 487.560 3.168 10 10 JGCE CCc1nn(C)c2c1[C@@H](c1ccccc1F)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865073074 QOVAXJKAGJWRSZ-JOCHJYFZSA-N 491.567 3.174 10 10 JGCE CC[C@H](NC(=O)CCCc1ccc(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868725536 BRBLXLBXTGPLPQ-QHCPKHFHSA-N 483.609 3.279 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCCCO)nc(Nc4ccc(C(C)(C)C)cc4)[nH]3)CC2)cc1 1871556788 ROJIEPCSLAHMTK-UHFFFAOYSA-N 491.640 3.464 10 10 JGCE CCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc3nc[nH]c3c2)[nH]1 1871625094 BVPGOVZSWYLJRN-UHFFFAOYSA-N 487.612 3.273 10 10 JGCE CCOCCCN1C(=O)C(NCCc2cnc[nH]2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168663 FFKZRBOVCBFAMQ-UHFFFAOYSA-N 461.566 3.156 10 10 JGCE COCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccco2)C1=O 2053496579 BREUAZHWVBMIBC-UHFFFAOYSA-N 456.549 3.137 10 10 JGCE C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2136240281 KHKRXNJOVVFERK-XLIONFOSSA-N 457.571 3.170 10 10 JGCE COc1cc(OC)c(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br 2313558778 JRPPUYGLKBSBAP-UHFFFAOYSA-N 465.300 3.437 10 10 JGCE COc1ccc(C(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1OC 10673764 YIVWTYKVMBXWQT-VXLYETTFSA-N 472.544 3.064 10 10 JGCE O=C(O)c1ccc(N2C(=O)C[C@@H](N3C(=O)/C(=C/C=C\c4ccccc4)SC3=S)C2=O)cc1 33853269 WEEACUNPOHWAFM-IAFGHPSKSA-N 464.524 3.474 10 10 JGCE COCCCN1C(=O)/C(=C/c2cc3cccc(C)c3nc2N2CCC(C(N)=O)CC2)SC1=S 38732798 IMMRQKJOHLYIHK-RGEXLXHISA-N 484.647 3.483 10 10 JGCE Cc1cccc(COc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c1 102467814 JJTKDWQBBVSSSS-WBIXSPHCSA-N 454.533 3.195 10 10 JGCE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(\C)NCCN2CCOCC2)cc1 103523093 DHWHSTWBXDTXJT-OQKWZONESA-N 477.590 3.252 10 10 JGCE COC(=O)c1ccc(/C=C2\SC(=S)N(CCC(=O)OC3C[C@@H]4CC[C@H](C3)N4C)C2=O)cc1 105382220 JVZFKELIZHCZJL-MMBAJJQJSA-N 474.604 3.233 10 10 JGCE CCOC(=O)c1ccc(N/C(C)=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2CC(=O)OC)cc1 205947140 PEKVIHDZSSAPCP-KGENOOAVSA-N 466.450 3.423 10 10 JGCE COC(=O)c1ccc(/C=C2/SC(=S)N(N[C@H]3OC(=O)c4c3ccc(OC)c4OC)C2=O)cc1 207329706 YFFXQBAERITQGT-KAPURRDVSA-N 486.527 3.065 10 10 JGCE CC(=O)N(C)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCC(CO)CC3)cc2)CC1 1286840332 ATCRNKPYDKQFQN-UHFFFAOYSA-N 482.673 3.181 10 10 JGCE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864010196 JUNLBNKJVMTPPQ-NRFANRHFSA-N 476.533 3.218 10 10 JGCE CCS(=O)(=O)c1ccc(O)c(N=c2nc(N3CCC[C@@H](C)C3)[nH]c(N3CCC[C@@H](C)C3)n2)c1 1871737143 VIFATQKAHSJLOR-IAGOWNOFSA-N 474.631 3.009 10 10 JGCE CCN(C(=O)OC(C)(C)C)[C@@H](C)CNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200964849 RJWHWRHOZFVUSC-RDJZCZTQSA-N 481.590 3.295 10 10 JGCE COC(=O)c1c(-n2c(C)cc(C=C3C(=O)NC(=S)N(C)C3=O)c2C)sc2c1CCCC2 2297315870 YCYQYHYFFBHAQI-UHFFFAOYSA-N 457.577 3.078 10 10 JGCE CC[C@@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)c1)C(=O)O 2314932804 YWVAFXALEICISB-MRXNPFEDSA-N 487.515 3.383 10 10 JGCE Cc1cccc(/C=C2\SC(=S)N(CC(=O)Nc3cc(C(=O)O)cc(C(=O)O)c3)C2=O)c1 16921667 XZCCDJJYSXLHES-SOFYXZRVSA-N 456.501 3.231 10 10 JGCE COc1ccc(NC(=O)c2nnc(CCCC(=O)N3CCN(c4ccc(OC)cc4)CC3)s2)cc1 32987796 OCWFXUZTQKOYCR-UHFFFAOYSA-N 495.605 3.479 10 10 JGCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(OC)cc1)C(=O)NC(C)(C)C 35963984 AIIMMJZVHYZGIX-JOCHJYFZSA-N 469.586 3.168 10 10 JGCE CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)CN1C(=O)/C(=C/c2cccs2)SC1=S 95926295 VNPOYQVNWPZXRS-YVLHZVERSA-N 455.586 3.449 10 10 JGCE COC(=O)c1c(N/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)sc2c1CCCC2 254387698 SWOKLPPZVCHTFR-UVTDQMKNSA-N 459.524 3.296 10 10 JGCE C[C@@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)C=[N+]=N 642887492 SUWBMPNRMSQAHJ-CRICUBBOSA-O 499.547 3.226 10 10 JGCE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1([S@@](C)=O)CC1 1705622906 ZEOKSJZAOGHJHF-MGBGTMOVSA-N 465.623 3.350 10 10 JGCE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1705659102 LKRJZFGJKBPQKC-UHFFFAOYSA-N 466.586 3.489 10 10 JGCE CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864007301 KDMVVJCWJUQELJ-OAQYLSRUSA-N 498.967 3.483 10 10 JGCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864013412 BBTIMNYUENNACK-NRFANRHFSA-N 462.550 3.320 10 10 JGCE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1864017678 RLGLVJNCZXIPQR-IBGZPJMESA-N 464.522 3.211 10 10 JGCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCOc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864020755 GRIJEUSDOGXQKR-OAQYLSRUSA-N 478.549 3.157 10 10 JGCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865035552 WTBRQZAKVXXGBD-QRWLVFNGSA-N 454.571 3.466 10 10 JGCE CCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 2040499144 UENAMGSCNKSJRE-UHFFFAOYSA-N 466.544 3.256 10 10 JGCE CCNC(=O)c1nn(Cc2c(C)cccc2O)c(C(F)(F)F)c1I 2079215988 UPRYKTIPQHURQM-UHFFFAOYSA-N 453.202 3.319 10 10 JGCE CN(C)c1cccc(NC(=O)c2cc(NCc3cnn(C)c3)cc(S(=O)(=O)N3CCCC3)c2)c1 14536905 XAKKRGAXWUXDMN-UHFFFAOYSA-N 482.610 3.135 10 10 JGCE Cc1ccc2nc(N3C[C@@H](C)C[C@@H](C)C3)c(/C=C3\SC(=S)N(CCC(=O)O)C3=O)c(=O)n2c1 33450862 ZYRCHKNGMCYIBQ-LAHQVWKISA-N 486.619 3.161 10 10 JGCE COc1cc(/C=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)c([N+](=O)[O-])cc1OC 97574739 XQBQLQVNGSGNTJ-MOSHPQCFSA-N 454.508 3.405 10 10 JGCE Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ncc(Br)cc3Br)C2=O)cc1 103872297 UZSUNNUMJPQCDX-XYOKQWHBSA-N 480.116 3.494 10 10 JGCE CC(=O)Nc1ccc(O)c(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 920625768 ANOZRTSHDYRNOV-CYBMUJFWSA-N 472.453 3.310 10 10 JGCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864013954 JVYUZRCBNPMPTK-FQEVSTJZSA-N 463.538 3.063 10 10 JGCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1cccs1)[C@@H]2c1ccc(O)c(O)c1 1864023348 YGUYAEWUVOXLTE-CQSZACIVSA-N 480.468 3.406 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cc(=O)c4cc(I)ccc4[nH]3)CC2)cc1 1866529954 DDFCSYMFGDGENQ-UHFFFAOYSA-N 489.313 3.104 10 10 JGCE CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N([C@@H]2CCCC[C@@H]2C)C1=O 1873167173 VICJQHIPVFOMAN-GAJHUEQPSA-N 462.594 3.478 10 10 JGCE C[C@@H](NC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1ccc(N2CCN(C)CC2)c(F)c1 2087881206 KHBOPTVWCLBWLY-MRXNPFEDSA-N 488.995 3.050 10 10 JGCE CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccccc1 2297345047 LRBJPTACUKKTHB-UHFFFAOYSA-N 484.559 3.286 10 10 JGCE COc1cc(C=C2C(=O)N(c3ccc(C(=O)O)cc3)N=C2C(F)(F)F)cc([N+](=O)[O-])c1O 2297617378 FHWNJFXORYYOCG-UHFFFAOYSA-N 451.313 3.356 10 10 JGCE CCn1c(N2CCOCC2)c(/C=C2/SC(=S)N(Cc3ccc(F)cc3)C2=O)c(C)c(C#N)c1=O 33474846 OXWVUFMEDROWGX-UDWIEESQSA-N 498.605 3.425 10 10 JGCE Nn1c(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nnc1-c1ccccc1 59266067 NHTCNDMRZKKSRF-UHFFFAOYSA-N 455.499 3.165 10 10 JGCE Nc1ccc(CS(=O)(=O)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)cc1 705682207 YZTBLHPNIVDKSJ-UHFFFAOYSA-N 451.592 3.160 10 10 JGCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)s3)cc2)cc1 1858961403 WTSFZBXYCWUSKQ-UHFFFAOYSA-N 465.940 3.391 10 10 JGCE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864017341 JZSMWBAXLIJNFY-OAQYLSRUSA-N 472.501 3.450 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccncc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873164290 UPVILRYFKMDDLY-UHFFFAOYSA-N 469.589 3.453 10 10 JGCE Cc1ccc2nc(N3CCOCC3)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 2053497568 OCEXDWATIWDIPP-UHFFFAOYSA-N 478.599 3.241 10 10 JGCE Cc1c(NC=C2C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)c(=O)n(-c2ccccc2)n1C 2296079820 XULKTZGVMCOPRK-UHFFFAOYSA-N 467.485 3.216 10 10 JGCE Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 2313656673 VPAZHKFJMINVIW-UHFFFAOYSA-N 467.551 3.249 10 10 JGCE CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C2\C(=O)Nc3ccc(Br)cc32)SC1=S 1748975 FMNMDSIAWIAMIN-UMAGAQSHSA-N 455.355 3.472 10 10 JGCE COc1cc(NC(=S)NC(=O)c2cc(Cl)ccc2OC)c(N2CCOCC2)cc1OC 20496651 VLJWMKMGAZWSAV-UHFFFAOYSA-N 465.959 3.329 10 10 JGCE CN(C)c1ccc([C@@H]2CC(c3cccc4ccccc34)=NN2C(=O)CN2C(=O)CNC2=O)cc1 72413669 WWGJJOOVVDZTFA-QHCPKHFHSA-N 455.518 3.135 10 10 JGCE CC(=O)NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526140485 SSCOCGFTTCJSGM-QFIPXVFZSA-N 498.488 3.119 10 10 JGCE CCC[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861955793 NPGKVPMXEYSNGO-IYJBSMEOSA-N 466.538 3.250 10 10 JGCE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864012445 ZYSWIZBXXOTCEJ-HXUWFJFHSA-N 452.486 3.009 10 10 JGCE C[C@@H]1C[C@@H](C)CN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3C)[C@H]2c2ccc(O)c(O)c2)C1 1865032123 WAAFLOXDUHGNJI-UEKVPHQBSA-N 466.460 3.049 10 10 JGCE CC[C@](C)(NC(=O)C[C@@H]1CC(=O)c2ccccc21)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869035120 AOAPSDLLXKSRAD-PPHZAIPVSA-N 463.578 3.389 10 10 JGCE CCc1nc(N2CCC(n3cnnc3C)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869136747 GCZDKSNMXJMPOE-UHFFFAOYSA-N 462.602 3.116 10 10 JGCE COc1ccc(N2CCN(c3nc(NC(=O)[C@@H]4CCCO4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869970850 XXLVTHRYFRJLRR-QFIPXVFZSA-N 462.554 3.028 10 10 JGCE CCCOC(=O)COc1cn(CC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870332737 LVBWOTAYZDGWHC-UHFFFAOYSA-N 471.598 3.167 10 10 JGCE CCOCCCN1C(=O)C(NC2CCN(C)CC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170685 MEXCGYJREJXYNK-UHFFFAOYSA-N 464.610 3.284 10 10 JGCE CC(C)(C)OC(=O)NC[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CCO1 2106882063 ALBBAUJDWGMZHR-INIZCTEOSA-N 462.591 3.292 10 10 JGCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(I)o1 2294118715 SNRDHIGHEFRPBU-UHFFFAOYSA-N 487.047 3.313 10 10 JGCE O=C(CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NCCCN1CCOCC1 2296755562 LPJNRCDQQFNWTI-UHFFFAOYSA-N 468.044 3.160 10 10 JGCE COc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)c(OC)c1 2296883484 VYEPPADCRNVTAZ-UHFFFAOYSA-N 450.563 3.107 10 10 JGCE CCOc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1ccccc1 20207634 UNZPKVUIMPIHKI-GESHDMKESA-N 484.559 3.286 10 10 JGCE CCCCC1=NN2C(=N)/C(=C\c3ccc(OS(C)(=O)=O)c(OCC)c3)C(=O)N=C2S1 33424307 AMMHOWQQOIDOSZ-VGMPPWMTSA-N 450.542 3.233 10 10 JGCE CN(C)c1ccc([C@H]2N=c3ccccc3=C3C(=O)N=C(SCc4ccccc4Cl)NN32)cc1 588226290 QHPAFAGJVJIUQF-QHCPKHFHSA-N 476.005 3.482 10 10 JGCE CC(=O)N1CC[C@H](CN(C)c2nnc([C@H]3CCCOC3)n2CCCSc2nccs2)C1 1286849825 NGLTXRHSWDERED-MSOLQXFVSA-N 464.661 3.116 10 10 JGCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCO)=C(N)O2 1865029210 IOMUNGZMUULGBQ-JOCHJYFZSA-N 492.576 3.080 10 10 JGCE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccccn1 1865376376 QNWNLSLMCBCZJM-HSZRJFAPSA-N 488.592 3.049 10 10 JGCE CSCC[C@@H](C(=O)N[C@H](c1ccc(N(C)C)cc1)c1nccn1C)N1C(=O)c2ccccc2C1=O 1865987369 PTJAQXOTEVEHNY-FCHUYYIVSA-N 491.617 3.110 10 10 JGCE CC(=O)NCCN1C(=O)C(NCCc2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162335 QFNVZPSCYARRIB-UHFFFAOYSA-N 470.573 3.142 10 10 JGCE CCN(CC)CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN(C)C)C1=O 1873167343 BVRIKJVIBGPQTA-UHFFFAOYSA-N 479.669 3.447 10 10 JGCE COCCOC(=O)[C@H](C)n1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945443 VPMBGBREOJNBKA-AWEZNQCLSA-N 476.576 3.458 10 10 JGCE CC1=C(C(=O)OC(C)C)[C@H](c2cccs2)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N1 630934 ZIZYMASSPIYEST-FNGUVFISSA-N 467.616 3.314 10 10 JGCE CC1=NN(c2ccccc2)C(=O)/C1=C\N1CCN(/C=C2\C(=O)N(c3ccccc3)N=C2C)CC1 33713524 VXQHMNNOOJQWHI-BOYKQRMESA-N 454.534 3.217 10 10 JGCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(NCC(C)C)nc12 33760187 AYMOISWALKDHTK-ADFUCPMPSA-N 458.609 3.451 10 10 JGCE CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3ON2CC(=O)NC2CCCCC2)cc1 248073783 SYEKNSHTZLBPLL-UBFVSLLYSA-N 482.625 3.176 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)Cc3ccc(OCc4ccncc4)cc3)cc2)CC1 1634074252 KRIMLQVMYXWUNW-UHFFFAOYSA-N 458.562 3.188 10 10 JGCE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864009753 CVONSKGFKOXELT-HXUWFJFHSA-N 498.967 3.083 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](c3ccccc3)N3C(=O)c4cccc(OC)c4C3=O)CC2)cc1 1865846830 YLBODYWPZRGZRR-VWLOTQADSA-N 485.540 3.390 10 10 JGCE CCCn1cc(OCC(=O)NC2CCCCC2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870491089 AASXWSNKYAVTNP-UHFFFAOYSA-N 496.652 3.417 10 10 JGCE C[C@@H](CCNC(=O)OC(C)(C)C)N(C)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200951377 AQGJHKDXSLMRHF-RDJZCZTQSA-N 481.590 3.295 10 10 JGCE COc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCOc1ccccc1 2296586532 CNXJMBIHVUYJAH-UHFFFAOYSA-N 462.458 3.408 10 10 JGCE N=C1C(=Cc2ccc(OCCOc3ccccc3)cc2)C(=O)N=C2SC(N3CCOCC3)=NN12 2297352563 BENYRLKKEQQREF-UHFFFAOYSA-N 477.546 3.053 10 10 JGCE COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@@H](C)O4)cs2)cc1OC 11857668 SUAPHCDVJQLKNN-LLVKDONJSA-N 461.521 3.348 10 10 JGCE COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 13348535 LBIURATWTDHWTR-ZDLGFXPLSA-N 472.544 3.307 10 10 JGCE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CC(=O)O)C2=O)c1C 213166226 IQCYZTSQIQNKEK-YBEGLDIGSA-N 467.528 3.389 10 10 JGCE CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]3ON2CC(=O)NC2CCCCC2)cc1 248073775 SYEKNSHTZLBPLL-SDHSZQHLSA-N 482.625 3.176 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)CC2)cc1 742939429 DUDRHSPBWWSZRX-SFTDATJTSA-N 499.631 3.069 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccnc(NC(=O)OC(C)(C)C)c3)cc2)CC1 1154276421 TVVVJAZNSVDKPW-UHFFFAOYSA-N 453.543 3.027 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)C3=Cc4ccccc4O[C@@H]3C(F)(F)F)cc2)CC1 1556199658 RJNKDQGZRVUQNK-QFIPXVFZSA-N 459.468 3.378 10 10 JGCE COc1ccc(CCC(=O)N[C@@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1861937626 NKVKZSSUCXXZOM-DEOSSOPVSA-N 485.650 3.223 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3cccc(C)c3)CC2)cc1 1862283665 JQGYLMAPSGFKTP-AREMUKBSSA-N 473.573 3.399 10 10 JGCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCc1ccccc1F)[C@H]2c1ccc(O)c(O)c1 1864009472 IDQMMVZBXPJZIW-FQEVSTJZSA-N 452.486 3.163 10 10 JGCE COc1ccccc1NCCC(=O)N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866888390 NWQCXVHZRBPWRL-MRXNPFEDSA-N 471.513 3.416 10 10 JGCE CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cc(Cl)ccc2C)[nH]1 1871513969 NJHLZZCRIPDNIH-UHFFFAOYSA-N 453.978 3.188 10 10 JGCE CCc1nnc(NC(=O)CCCN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)s1 2297349434 QKAHETVRWXLPAE-UHFFFAOYSA-N 462.578 3.449 10 10 JGCE Cc1cccc(COc2ccc(C=C3C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)cc2)c1 2297352770 VBGCUGRWAKNLPJ-UHFFFAOYSA-N 461.547 3.483 10 10 JGCE COc1ccc(N2CCN(CCCNC(=O)[C@H]3CCCN(c4nc5cccnc5s4)C3)CC2)cc1 33045184 RNNRMDZNOZDRRA-FQEVSTJZSA-N 494.665 3.245 10 10 JGCE Cc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)N[C@@](Cc3ccc(O)cc3)(C(=O)O)[C@@H]2C1=O 33593951 PBEVDKPNWAIWSR-VVEDBRRQSA-N 499.567 3.283 10 10 JGCE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3cccc(OC)c3)c3ccco3)CC2)cc1 38598286 BJUYSNSSTVLBHY-HSZRJFAPSA-N 471.579 3.139 10 10 JGCE CC(C)c1ccc(OC[C@H](O)CN(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 40315781 FMGYDRXVRLKJHI-DNQXCXABSA-N 460.640 3.305 10 10 JGCE O=C(Cn1cc(/C=C2\C(=O)N(Cc3ccccc3)C(=O)N=C2O)c2ccccc21)NC[C@@H]1CCCO1 59109469 SDLYEDIWDOIXIB-CWGWECIMSA-N 486.528 3.439 10 10 JGCE Cc1cc(=O)oc2cc(O[C@@H]3O[C@@H]4CO[C@H](c5ccccc5)O[C@@H]4[C@H](O)[C@H]3N=[N+]=[N-])ccc12 255989047 MYWUUBHOPGUEKN-YKHMXAMPSA-N 451.435 3.359 10 10 JGCE in-vitro COc1ccc(N2CCN(CCNC(=O)Nc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)CC2)cc1 742927986 FAGGLUNLOADPCT-PMACEKPBSA-N 485.604 3.392 10 10 JGCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc4cccnc4c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1084533040 NKEZMNKBFOSCJW-RUZDIDTESA-N 498.608 3.413 10 10 JGCE CC(=O)N1CCC(Cn2c(N(C)Cc3ccc(N4CCOCC4)cc3)nnc2C(C)(C)C)CC1 1301672921 RZZKDQUJTVCNPT-UHFFFAOYSA-N 468.646 3.307 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3ccccc3F)CC2)cc1 1862115654 UXVHNYPSESZPBV-RUZDIDTESA-N 477.536 3.230 10 10 JGCE COCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(OC)cc2)C1=O 2053512369 ZPJWMZNHVBWURT-UHFFFAOYSA-N 496.614 3.471 10 10 JGCE O=C1NC(=O)N(CCc2ccccc2)C(=O)C1=CNCCC1CCN(Cc2ccccc2)CC1 2296554991 HPVCXTXHVPITLV-UHFFFAOYSA-N 460.578 3.083 10 10 JGCE CC[C@](C)(NC(=O)C=Cc1ccc(OC)cc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330499138 LIIWTLMKNJHVRI-MHZLTWQESA-N 481.593 3.359 10 10 JGCE CC[C@](C)(NC(=O)C=Cc1ccc2c(c1)OCCO2)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330519423 MVTNYYLIMFCQBG-MHZLTWQESA-N 479.577 3.113 10 10 JGCE COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1OC 33458343 QPCRRHHPCXHNPK-ZDLGFXPLSA-N 488.543 3.007 10 10 JGCE C[C@H](c1ccccc1)N1C(=O)/C(=C\c2c(NCCOCCO)nc3ccccn3c2=O)SC1=S 39729166 UJZNFWZNNDMHAA-ORMOWBNMSA-N 496.614 3.078 10 10 JGCE Cc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c(C)n1-c1ccccc1Cl 96460121 DEVHNQUPTUDCNF-LHTBISBZSA-N 461.956 3.369 10 10 JGCE O=C(Cn1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c2ccccc21)NCc1ccco1 208734313 GITGUGUYAZSETM-UNOMPAQXSA-N 486.459 3.356 10 10 JGCE CCOC(=O)C1=C(C)N=c2sc(=C/C=C\c3ccco3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1083963658 WTKNFDGISGJXMU-FBWOKIHOSA-N 463.559 3.122 10 10 JGCE C=CC(=O)N1CCC(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)(c2ccccc2)CC1 1136311292 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10 10 JGCE CC[C@H](NC(=O)CCCOc1ccc(OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862236469 XYLPSHYNROWTSR-DEOSSOPVSA-N 469.582 3.106 10 10 JGCE C[C@@H](O)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864014545 XUVJNNPAZFTZHK-ZHRRBRCNSA-N 498.539 3.142 10 10 JGCE COc1ccc([C@@H](C(C)C)n2nc(C3CC3)c(C(N)=O)c2I)c(O)c1 2080001736 MZKHFXHYHKUDCH-MRXNPFEDSA-N 455.296 3.424 10 10 JGCE Cc1ccc(C)c(N2C(=O)C(=Cc3ccc(O)c(I)c3)C(=O)NC2=S)c1 2293798378 KCYXZGMCTCWZQJ-UHFFFAOYSA-N 478.311 3.445 10 10 JGCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(F)cc3)C2=O)ccc1O[C@@H](C)C(=O)O 2314933732 XFNUWCGLXOFHCW-NSHDSACASA-N 476.507 3.232 10 10 JGCE COCCNC(=O)Cn1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=S)N=C2O)c2ccccc21 33932866 HAPSVHMNLUNZFH-MOSHPQCFSA-N 476.558 3.384 10 10 JGCE CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC1=S 34988133 AONRSVOYLIILOD-ARSNJYAISA-N 486.619 3.038 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1 1616251828 KBTXSCXMLXZMPI-RUZDIDTESA-N 458.603 3.009 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10 10 JGCE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2 1864022799 YGUGRRJULMLYTG-JOCHJYFZSA-N 497.640 3.200 10 10 JGCE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865030697 OWTPTCQIBRECIO-OAQYLSRUSA-N 475.549 3.338 10 10 JGCE COc1ccc(N2CCN(C(=O)COc3cccc4c3C(=O)N(c3ccccc3)C4=O)CC2)cc1 1865846837 YOPOJZRFAOCRFL-UHFFFAOYSA-N 471.513 3.223 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCCC(C)C)[nH]c(=Nc4cccc(OC)c4)[nH]3)CC2)cc1 1871668166 RSKFAASPNZEGSF-UHFFFAOYSA-N 477.613 3.261 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N(CCOC(C)C)C2=O)cc1 1873165876 UUYYFWBHVCKNEM-UHFFFAOYSA-N 452.599 3.140 10 10 JGCE CCOc1ccc(C=C2SC(=S)N(CC(=O)N(CCO)Cc3ccccc3)C2=O)cc1 2296885359 QPVQZBOINHEGIJ-UHFFFAOYSA-N 456.589 3.308 10 10 JGCE CCN1C(=O)C(=Cc2cn(CCOC)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297509124 ZPVFYDFGSHTULK-UHFFFAOYSA-N 495.601 3.216 10 10 JGCE COc1cc(C=C2C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc(OC)c1O 2313548906 IOMLUNMHANQVJG-UHFFFAOYSA-N 475.295 3.455 10 10 JGCE COc1ccc(C=C2SC(=S)N(CCC(=O)NC[C@H](c3ccco3)N(C)C)C2=O)cc1 2314625183 KAKXSKQHLWORFT-QGZVFWFLSA-N 459.593 3.299 10 10 JGCE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccccc3[N+](=O)[O-])c3ccco3)CC2)cc1 38619275 XTOKPHADZZBBKH-OAQYLSRUSA-N 486.550 3.038 10 10 JGCE Cc1cc(C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)c(C)n1-c1ccc2c(c1)OCCO2 71898081 LPIWGLKUFRUKQZ-UHFFFAOYSA-N 471.561 3.471 10 10 JGCE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2 1864008954 VUOXEEFAQXKOHZ-NRFANRHFSA-N 498.967 3.219 10 10 JGCE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc(OC)cc1)=C(N)O2 1864021892 RLHLIZDWYORBPO-QKKBWIMNSA-N 478.549 3.457 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C[C@@H](c3ccc4c(c3)OCCO4)C3CC3)CC2)cc1 1868689953 ZLLJQVQGVMWLBO-YADARESESA-N 493.604 3.204 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873167318 AVQQVETZUJAVSC-UHFFFAOYSA-N 474.609 3.071 10 10 JGCE CN1CCC(NC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)CC1 1873863862 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10 10 JGCE COCCCn1c(C(=O)NCC(C)C)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873586147 KOTOQUMPDGFYLR-UHFFFAOYSA-N 480.613 3.189 10 10 JGCE O=C(CC[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017514 QZQYJQXXTSWUAF-NRFANRHFSA-N 485.471 3.440 10 10 JGCE COc1cc(C=C2C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(Br)cc1O 2293826919 HGRZUIRABVPPKL-UHFFFAOYSA-N 451.273 3.134 10 10 JGCE CCOC(=O)COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1 2294118659 LFEQFZALMRORAT-UHFFFAOYSA-N 487.306 3.366 10 10 JGCE COc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3F)C2=O)c(C(=O)O)c1OC 2314929196 IQVOHVFWPOWFOW-UHFFFAOYSA-N 462.480 3.087 10 10 JGCE COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)c(C(=O)O)c1OC 16906214 ZVXXQNIQVRGESC-XNTDXEJSSA-N 458.517 3.257 10 10 JGCE CC[C@H](C)N1C(=O)/C(=C\c2c(N3CCN(CC)CC3)nc3ccc(C)cn3c2=O)SC1=S 33423640 MBLIZSYWPRKVMV-HZGBGQKMSA-N 471.652 3.145 10 10 JGCE CNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 33920378 CCTTUXHAEIXPBN-RQZCQDPDSA-N 466.544 3.175 10 10 JGCE CCN(CC)c1ccc(CN(C[C@H](O)COc2ccc(C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 40312849 ROGRYDYMHZQTOL-RPWUZVMVSA-N 460.640 3.270 10 10 JGCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4ccc(OC)cc4)cn3)CC2)cc1 1858428918 DQUXUORCVZAYTD-UHFFFAOYSA-N 454.552 3.226 10 10 JGCE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)CC2)cc1 1860361815 JTTDVEICLZDFSZ-UHFFFAOYSA-N 455.514 3.454 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)CCCOc3ccccc3Cl)CC2)cc1 1862225733 TXPGNPQBJSCVNE-GOSISDBHSA-N 459.974 3.361 10 10 JGCE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864012378 YRQXAXHBKINDGB-FQEVSTJZSA-N 452.486 3.009 10 10 JGCE COc1ccc(N2CCN(c3cc(N4CCC5(CC4)OCCO5)nc(C(C)C)n3)CC2)cc1 1867951457 MOWTUDDJCJMFOS-UHFFFAOYSA-N 453.587 3.279 10 10 JGCE CCCC[C@@H](NC(=O)CCc1ncc2ccccn12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868801969 MSBCZQSRVBZGPG-XMMPIXPASA-N 477.609 3.299 10 10 JGCE O=C1C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2053467443 ABIRCORJMDMRBZ-ZDUSSCGKSA-N 450.519 3.243 10 10 JGCE COc1ccc(N2C(=O)C(=Cc3cc(Cl)c(OCC(=O)O)c(Cl)c3)C(=O)NC2=S)cc1 2294229437 SWBZRGKECZVZGH-UHFFFAOYSA-N 481.313 3.297 10 10 JGCE COc1ccc2[nH]cc(C=C3SC(=S)N(CCc4ccc(S(N)(=O)=O)cc4)C3=O)c2c1 2323840677 JVIQCGFKWMCFML-UHFFFAOYSA-N 473.601 3.268 10 10 JGCE CCOc1ccc(C=CC(=O)NC(C)(C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1OC 2330623449 WXNUWVNJQONYNG-UHFFFAOYSA-N 481.593 3.359 10 10 JGCE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCc3cc(O)c(O)cc3C2)CCN(Cc2ccccc2)C1 2366905540 CWSXRPIIFFNVKL-SANMLTNESA-N 467.566 3.152 10 10 JGCE CN(C)c1ccc([C@H](CNC(=O)CN2C(=O)c3ccccc3C2=O)N2CCc3ccccc32)cc1 9529648 DWCWPEOOJVBPTI-VWLOTQADSA-N 468.557 3.269 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cccc(Nc4nc5ccccc5n5nnnc45)c3)CC2)cc1 9561291 DONIOULAOJPVHX-UHFFFAOYSA-N 480.532 3.387 10 10 JGCE CCOc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c1C 20208102 NMIKOIMNIZPOCO-AZAZKDLZSA-N 471.564 3.114 10 10 JGCE COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c1C 20208110 XOXRVEOTGMWZFC-FRYOISGKSA-N 491.982 3.377 10 10 JGCE CCSc1nnc(NC(=O)CN2C(=O)/C(=C/c3ccc(OC)cc3)SC2=S)s1 39885912 KLIBQNLNCLAVAP-WQLSENKSSA-N 452.608 3.499 10 10 JGCE CC(=O)N1CCCN(c2nnc(Cc3ccsc3)n2Cc2ccc(N(C)C)cc2C)CC1 1301706288 VOZFLLHVAXHSOF-UHFFFAOYSA-N 452.628 3.412 10 10 JGCE O=C(CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1859466413 XZIZBSMDORGALT-UHFFFAOYSA-N 483.436 3.385 10 10 JGCE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864011386 TTXBBWISYVXXDE-XCLFUZPHSA-N 498.967 3.081 10 10 JGCE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864018567 OCOCOWCYOZMWQM-HXUWFJFHSA-N 464.497 3.017 10 10 JGCE C[C@@H]1C[C@@H](C)CN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3C)[C@@H]2c2ccc(O)c(O)c2)C1 1865032120 WAAFLOXDUHGNJI-HFAKWTLXSA-N 466.460 3.049 10 10 JGCE O=C([C@H]1CN(C(=O)C=Cc2cn(Cc3ccccc3)nn2)c2ccccc2O1)N1CCCCC1 2040482793 YYQRDKQMOUSPCG-XMMPIXPASA-N 457.534 3.146 10 10 JGCE CCN(C[C@H](C)NC(=O)OC(C)(C)C)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200952523 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LHYRTWXXFRZWST-HNNXBMFYSA-N 453.926 3.407 10 10 JGCE COCCNC(=O)Cn1cc(/C=C2\C(=O)N(C3CCCCC3)C(=O)N=C2O)c2ccccc21 33441667 CKTAOFKRWUQGPT-UYRXBGFRSA-N 452.511 3.039 10 10 JGCE N=C1/C(=C/c2ccc(OCCCOc3ccccc3)cc2)C(=O)N=C2SC(N3CCOCC3)=NN12 95928730 LKGXGLSWAPFFGX-MTQNPREQSA-N 491.573 3.443 10 10 JGCE Nc1nc(Cl)nc(Nc2ccc(S(=O)(=O)O)c(/N=N/c3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(/N=N/c5cc(S(=O)(=O)O)ccc5S(=O)(=O)O)c(N)c4c3O)c2)n1 238809603 XPLSAHFMZQBPSK-UHFFFAOYSA-N 911.269 3.356 10 10 JGCE COC(=O)c1cccc(CN(c2cccc3c2C(=O)c2ccccc2C3=O)S(=O)(=O)N(C)C)c1 586233546 GJUGAAXBOYNGDK-UHFFFAOYSA-N 478.526 3.062 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3coc(/C=C\C(=O)OC(C)(C)C)c3)cc2)CC1 1138230350 OWJPFUUWULDTBO-KTKRTIGZSA-N 453.539 3.233 10 10 JGCE Cc1ccc(CCC(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)cc1 1859004664 HDPWHABOODQIBW-UHFFFAOYSA-N 481.574 3.346 10 10 JGCE COc1ccc(CC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862303086 MYIXIBVFQDZINJ-HHHXNRCGSA-N 487.600 3.323 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cc(-c4ccc(F)c(F)c4)[nH]n3)C(C)C)CC2)cc1 1868931466 GFHYBLNEIVSBMM-DEOSSOPVSA-N 497.546 3.467 10 10 JGCE CN(C[C@H](O)CN(C)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2)C(=O)OC(C)(C)C 2106839574 URSLQGLISRMSOO-MRXNPFEDSA-N 464.607 3.226 10 10 JGCE CC(C)(C)OC(=O)NCCOCCOCCNCc1cc(Cl)cc(Br)c1O 2233914556 LZJYMLDBAQXRFL-UHFFFAOYSA-N 467.788 3.456 10 10 JGCE COc1ccccc1C=C1SC(=S)N(CCC(=O)N[C@@H](CO)Cc2ccccc2)C1=O 2296885320 OWXPKHGGQFIONK-GOSISDBHSA-N 456.589 3.006 10 10 JGCE COc1ccc(N2CCN(c3cc(C(=O)N4CCN(CC=Cc5ccccc5)CC4)ncn3)CC2)cc1 2326618478 VNMCBHAABGMPTB-UHFFFAOYSA-N 498.631 3.283 10 10 JGCE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(F)cc3)C2=O)ccc1OCC(=O)O 16915814 DIQKFHFVJIKJNR-LICLKQGHSA-N 476.507 3.234 10 10 JGCE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@@H](C(=O)NCc4cccnc4)[C@H]3C2)cc1 104917175 OQGIAXBFQHEMOR-AOYPEHQESA-N 458.562 3.283 10 10 JGCE CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4O)N[C@](Cc4ccccc4)(C(=O)O)[C@@H]3C2=O)cc1 248377304 GFNLJWRRMKPJTI-TVQWTUMOSA-N 484.508 3.111 10 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474.922 3.422 10 10 JGCE COc1cc(/C=C2\C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)cc(Cl)c1OCC(=O)O 96540782 KNJIISQSCKRPMN-QCDXTXTGSA-N 474.809 3.047 10 10 JGCE CC[C@@](C)(NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861958549 LMJULDAFHVDVEE-FFODHNNBSA-N 466.538 3.250 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Cc3ccccc3F)CC2)cc1 1862248868 JYHWTBCHYVSXPQ-SANMLTNESA-N 491.563 3.159 10 10 JGCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC)=C(N)O2 1864013731 ZIVPYWXTFGBHPD-HXUWFJFHSA-N 466.513 3.265 10 10 JGCE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864018349 JAVJOZBDXVGUOZ-QHCPKHFHSA-N 497.555 3.294 10 10 JGCE CN(Cc1ccccc1)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1ccc(O)c(O)c1 1865031997 SSIJTXUJCSKGTB-MRXNPFEDSA-N 474.439 3.203 10 10 JGCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@H]3c3ccc[nH]3)CC2)cc1 1865599572 COZJGWNQGHQQOB-HSZRJFAPSA-N 490.608 3.228 10 10 JGCE CCn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871260339 GZEVXHPCGKOPKT-UHFFFAOYSA-N 450.539 3.101 10 10 JGCE COc1ccc(N2CCN(C(=O)c3ccc4nc(SCC(=O)NC(C)C)[nH]c4c3)CC2)cc1 1872825453 YXDDYKYSGKQTMC-UHFFFAOYSA-N 467.595 3.151 10 10 JGCE COc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 2293323894 LBIURATWTDHWTR-UHFFFAOYSA-N 472.544 3.307 10 10 JGCE O=C1NC(=S)SC1=Cc1cc(I)c(O)c(I)c1 2297322754 UWZSTBUXXVVCKT-UHFFFAOYSA-N 489.097 3.090 10 10 JGCE COc1cc(NC(=O)c2cccc(I)c2)c(N2CCOCC2)cc1OC 20496306 IECPBOGHQIMEDT-UHFFFAOYSA-N 468.291 3.397 10 10 JGCE CCOCCCN1C(=O)/C(=C/c2c(N3CCCC3)nc3ccc(C)cn3c2=O)SC1=S 33458361 NVAISTHDWRAHFI-LGMDPLHJSA-N 458.609 3.231 10 10 JGCE CCN(CC)c1ccc(CN(C[C@@H](O)COc2ccccc2C(C)=O)[C@@H]2CCS(=O)(=O)C2)cc1 40319636 JHATZIQLJFQCDC-DNQXCXABSA-N 488.650 3.164 10 10 JGCE CC(=O)[C@@H]1CC(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)=NN1c1ccccc1 1526004209 YKPXPBQCFVVQNF-UAVUOLJFSA-N 452.530 3.279 10 10 JGCE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@H]1C)=C(N)O2 1864009409 GSVDYXTUPVOHQI-UVQUFPMPSA-N 475.549 3.376 10 10 JGCE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865025699 BXDOXNNZOMJTRQ-QHCPKHFHSA-N 497.511 3.107 10 10 JGCE C=Cc1ccccc1OCC(=O)N[C@@H](CCSC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869047085 NVQAAUKONFNYBG-QHCPKHFHSA-N 483.634 3.304 10 10 JGCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN[C@H](c3ccc(F)cc3)C2=O)n1 1869135946 VIGOCGQTBIISTH-AREMUKBSSA-N 490.583 3.191 10 10 JGCE COc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O 2296925389 BBTVPHMXRHXXOW-UHFFFAOYSA-N 497.532 3.323 10 10 JGCE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C/c1ccc(-c2cccc(C(=O)O)c2)o1 100148210 ICFYVNNSVLQMHX-XDHOZWIPSA-N 451.460 3.098 10 10 JGCE CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(O)[nH]c(=O)n(-c2ccc(Br)c(C)c2)c1=O 103732232 GZEVJDCUIPNENX-LFIBNONCSA-N 481.306 3.108 10 10 JGCE O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 135657627 UABYVHZWHIGOCG-LNSJNNGNSA-N 465.600 3.086 10 10 JGCE Cc1cc(C=c2sc3nc4ccccc4n3c2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 254340212 HWCUGCOSUHLIKG-UHFFFAOYSA-N 459.483 3.261 10 10 JGCE Nc1ccc(OCCS(=O)(=O)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)cc1 705699113 UDKQWMQYXZLQKI-UHFFFAOYSA-N 481.618 3.038 10 10 JGCE CC(=O)N1CCN(Cc2ccccc2NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CC1 1623791444 QFIWUNREULWLLW-FQEVSTJZSA-N 451.615 3.478 10 10 JGCE CCC[C@H](NC(=O)c1ccc2nc(CC)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861888731 BPECVLYAPFHITF-QFIPXVFZSA-N 463.582 3.381 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 1861917406 QMXNWVZPFQGZIA-HXUWFJFHSA-N 490.969 3.121 10 10 JGCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864013399 AUIIIZFVKSBBMD-FQEVSTJZSA-N 463.538 3.063 10 10 JGCE CCOC(=O)C1=C(C)C(C(N)=O)=S=C1NC(=O)c1ccc(-c2ccc3cnccc3c2)cc1 1866180811 BIZVRHKAWIPUKL-UHFFFAOYSA-N 459.527 3.046 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3nc(CC(C)C)n4ccccc34)CC2)cc1 1868777138 CMZWWGGSPRSUBF-IBGZPJMESA-N 463.582 3.009 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cc(C4CC4)[nH]n3)c3ccccc3)CC2)cc1 1868970918 KAXMEHQYYBGYFH-XMMPIXPASA-N 459.550 3.116 10 10 JGCE Cc1ccc(S(=O)(=O)NCCCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1874180033 WMMYUNJMIIEQLL-UHFFFAOYSA-N 462.527 3.468 10 10 JGCE Cc1ccc(-c2ccc(C=C3SC(=S)N([C@@H](CC(=O)O)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1 2314650689 WNXIQTLVBVASLQ-ZDUSSCGKSA-N 462.461 3.292 10 10 JGCE COc1cc(/C=C2/C(=O)N(C)N=C2c2ccccc2)cc(I)c1OC(C)=O 96577768 BATNTKAZTATDOW-OQLLNIDSSA-N 476.270 3.485 10 10 JGCE COc1cccc(C2=NN(C(=O)/C=C3/SC(=O)NC3=O)[C@H](c3ccc(N(C)C)cc3)C2)c1 101453965 JIYIHDHQXHQJLQ-XAJRUKRBSA-N 450.520 3.306 10 10 JGCE Cc1cc(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)c(C)n1-c1ccccc1F 248089218 LCSXQBBWHXRSES-UHFFFAOYSA-N 485.581 3.325 10 10 JGCE CC(=O)N1CC[C@@H](CN(C)c2nnc([C@H]3CCCCO3)n2Cc2ccc(N(C)C)cc2C)C1 1595983768 PXGWPMRBYGTEGF-NZQKXSOJSA-N 454.619 3.247 10 10 JGCE CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)C)n3Cc3ccc(N(C)C)c(F)c3)C[C@H]2C)CC1 1741038465 WDSUHYRIEQBQKR-DVECYGJZSA-N 485.652 3.034 10 10 JGCE CC(C)C[C@@H](CO)NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1860347409 OHIXXZXZIDTJQB-HFJWLAOPSA-N 460.578 3.311 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)Cc3cc(Cl)ccc3SC)CC2)cc1 1861896287 LPHIRWKAKDELJG-INIZCTEOSA-N 462.015 3.467 10 10 JGCE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864009752 CVONSKGFKOXELT-FQEVSTJZSA-N 498.967 3.083 10 10 JGCE Cc1cc(C(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nn1-c1ccccc1 1868139116 JSXNMLZFWYOEFK-UHFFFAOYSA-N 464.481 3.325 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCOC(C)C)cn3C[C@@H]3CCCO3)CC2)cc1 1870541074 BIBLQMIDUQFLQU-VWLOTQADSA-N 485.625 3.162 10 10 JGCE CCCCc1ccc(NC(=O)COc2nonc2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1872675711 ZOKAPSOVNMDPSP-UHFFFAOYSA-N 493.564 3.401 10 10 JGCE CCCCOCCCN1C(=O)C(NCCNC(C)=O)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166582 DKJSHRFWIMYGEF-UHFFFAOYSA-N 480.609 3.107 10 10 JGCE COc1ccc(C=C2SC(N3CCN(c4ccccc4[N+](=O)[O-])CC3)=NC2=O)cc1OC 2296943343 NCFBLHYIJXVFSD-UHFFFAOYSA-N 454.508 3.405 10 10 JGCE COc1ccc(OC)c(/C=C2/SC(=S)N(N[C@H]3OC(=O)c4c3ccc(OC)c4OC)C2=O)c1 207329909 YPCDSFKIUAQESC-XLCPLWEUSA-N 488.543 3.296 10 10 JGCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 252672344 PYMBJAJLSSHUPW-JOCHJYFZSA-N 465.550 3.003 10 10 JGCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4cccc(C(C)=O)c4)cn3)CC2)cc1 1858438569 GNPMWKNEGVMYKJ-UHFFFAOYSA-N 466.563 3.420 10 10 JGCE Cc1ccc(O)c(CNCCC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1 1860713610 JWKYMTJLVZQDMQ-UHFFFAOYSA-N 469.567 3.027 10 10 JGCE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCc3ccccc3C1)[C@@H]2c1ccc(O)c(O)c1 1865026282 LSKKUBNVWVVAIR-JOCHJYFZSA-N 460.534 3.292 10 10 JGCE C[C@@H](C(=O)N[C@H](C)C(=O)O)N1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S 2314837825 XDMFUPAGPGSVJT-CABCVRRESA-N 470.572 3.445 10 10 JGCE CCCCCCN1C(=O)/C(=C\c2c(NCCOCCO)nc3ccc(C)cn3c2=O)SC1=S 39729122 FNLLTDUAJWWKFZ-NBVRZTHBSA-N 490.651 3.205 10 10 JGCE Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2C)c(C)c1 96460109 IQCUHKQKKLLVDQ-WZBMNHFVSA-N 455.565 3.332 10 10 JGCE CC(=O)N(CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccccc1 1136904192 RNORFUUWGBGNSS-JOCHJYFZSA-N 454.571 3.488 10 10 JGCE COCCn1c(C(=O)N2CCC(C)CC2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873557414 QTGVWEBZOKEGKB-UHFFFAOYSA-N 492.624 3.285 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)C(=N)N21 2297345477 ADVOCLAREAFDCP-UHFFFAOYSA-N 455.565 3.414 10 10 JGCE COc1cc(C=C2C(=N)N3C=C(C)SC3=NC2=O)ccc1OCc1cc(=O)n2nc(C)sc2n1 2297350808 YPCIZUVZHBJPMI-UHFFFAOYSA-N 494.558 3.214 10 10 JGCE CC(C)CN1C(=O)C(=Cc2c(N3C[C@@H](C)O[C@H](C)C3)nc3ccccn3c2=O)SC1=S 2314400673 PZTIVJHQOAGXEX-HUUCEWRRSA-N 458.609 3.165 10 10 JGCE COc1cc(/C=C2/SC(=S)N(CCC(=O)N3CCCCC3)C2=O)cc(OC)c1OC 1252662 GBHGEQDEWKUBJT-GHRIWEEISA-N 450.582 3.316 10 10 JGCE COc1cc(NS(=O)(=O)c2ccc(NCc3cc(Br)ccc3O)cc2)nc(OC)n1 9546576 SMWPZSPAUFOMSG-UHFFFAOYSA-N 495.355 3.375 10 10 JGCE CCCCn1c(N2CCCCC2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 39990338 FILFXGOPDRFMGS-BOPFTXTBSA-N 474.608 3.105 10 10 JGCE CCN(CC)c1ccc(C=c2sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3c2=O)cc1 254516457 HVLCNDNLSOXZBH-UHFFFAOYSA-N 466.563 3.238 10 10 JGCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2 1864011201 RQVIEGGNTGJVQX-QFIPXVFZSA-N 492.576 3.392 10 10 JGCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864012467 AEBDLHKMAARHDA-OAQYLSRUSA-N 462.550 3.227 10 10 JGCE CCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2C)[C@H]1c1ccc(O)c(O)c1 1864022523 NTAOMMFOZWWBIB-LJQANCHMSA-N 464.522 3.118 10 10 JGCE CC[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1C(=O)c2cccc(OC)c2C1=O 1865841423 MRWHGPUHKJJSIK-HXUWFJFHSA-N 468.465 3.484 10 10 JGCE CNC(=O)COc1cn(CCc2cnc[nH]2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871015447 HFFZJIMNZZWXSG-UHFFFAOYSA-N 472.549 3.295 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccnc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873164331 WXIRJLOXDYUIOA-UHFFFAOYSA-N 469.589 3.453 10 10 JGCE Cc1cc(-n2c(C)cc(C=CC(=O)N3C[C@@H](C(=O)N4CCOCC4)Oc4ccccc43)c2C)no1 2040484049 RTHAJDGQKQRHRP-QHCPKHFHSA-N 476.533 3.057 10 10 JGCE CC1CCN(C(=O)Cn2cc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)CC1 5945878 PDUUBJVVACXEDG-BKUYFWCQSA-N 474.517 3.155 10 10 JGCE COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(N2CCCC2)cc1 33311332 OXYVLHKRAUWZLM-RCCKNPSSSA-N 451.548 3.443 10 10 JGCE COc1ccc(N2CCN(C(=O)c3csc(Nc4ccc(S(C)(=O)=O)cc4)n3)CC2)cc1 38511868 IVFDMBXHZNBXLK-UHFFFAOYSA-N 472.592 3.261 10 10 JGCE CCOC(=O)c1c(C)sc(-c2c(-c3ccc(OC)c(F)c3)[nH]c3c2c(=O)n(C)c(=O)n3C)c1O 46009310 CRDLHQNUZDAUIH-UHFFFAOYSA-N 487.509 3.299 10 10 JGCE CN(C)c1ccc([C@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2C2=NC(=O)[C@@H](CC(=O)O)S2)cc1 72413310 ZPERDWFVYSDLIX-RTBURBONSA-N 467.507 3.285 10 10 JGCE COCCN1C(=O)/C(=C\c2c(N3CCc4ccccc4C3)nc3ccc(C)cn3c2=O)SC1=S 102994067 NUVUYFKZIPENRR-DEDYPNTBSA-N 492.626 3.413 10 10 JGCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 252669445 HNZDWCVEUJTHDX-XMMPIXPASA-N 491.613 3.263 10 10 JGCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)Cc3cc(Cl)cc(Cl)c3)cc2)CC1 1309401670 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O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccccc1NC(=O)C(F)(F)F 2297506237 HVZVFLIUQOEIIK-UHFFFAOYSA-N 452.776 3.420 10 10 JGCE CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864009111 ZMDJUVDREIGNKK-OAQYLSRUSA-N 498.967 3.483 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCCO)cn3CCc3ccccc3)CC2)cc1 1870356314 MNCVFDSJZYOWQT-UHFFFAOYSA-N 477.605 3.183 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(C)C)cn3CCCN(C)C)CC2)cc1 1870437515 YMPPUDAYAMNGDR-UHFFFAOYSA-N 456.631 3.166 10 10 JGCE CCNC(=O)COc1cn(C[C@@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870972285 RZLRLCZBADASCF-GOSISDBHSA-N 450.539 3.100 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1 1892016827 QXKXOIBLFBHLQK-DEOSSOPVSA-N 485.650 3.431 10 10 JGCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)C=Cc3ccc(F)cc3)cc2)cc1 2330156248 WADGVTFVHSHNME-UHFFFAOYSA-N 469.494 3.215 10 10 JGCE Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 15104244 VVGVABDFWDKTNX-UHFFFAOYSA-N 474.558 3.027 10 10 JGCE COc1ccc(N2CCN([C@H](CNC(=O)C(=O)Nc3ccc(C)c(F)c3)c3ccco3)CC2)cc1 38619653 DIJUCAKNGBLYTM-HSZRJFAPSA-N 480.540 3.354 10 10 JGCE CCN(CC)c1ccc(CN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H]2CCS(=O)(=O)C2)cc1 54310817 ICLQAZBGCATTAL-HXUWFJFHSA-N 475.567 3.036 10 10 JGCE COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(\C)Nc1cc(OC)c(OC)cc1C(=O)OC 103526603 RWUNJWFTLVPXQB-HYARGMPZSA-N 467.478 3.142 10 10 JGCE O=C(CN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)Nc1cc(C(=O)O)ccc1C(=O)O 210493454 MDZCVWBLBDLYEN-AQHRCUNFSA-N 468.512 3.479 10 10 JGCE CCC(CC)NC(=O)CN1O[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2[C@@H]1c1ccc(N(C)C)cc1 248085478 WJXMZXPAUDTKBE-HJOGWXRNSA-N 470.614 3.032 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cn(-c4nc(C)cc(C)n4)nc3C(C)C)cc2)CC1 857494739 XAPQQUWORVVGBK-UHFFFAOYSA-N 475.597 3.001 10 10 JGCE C/C(=C/C(=O)Nc1c(-c2ccccn2)nc2ccc(Br)cn12)CN1CCOCC1 1558681430 NLHRRUMLTUBFHR-QINSGFPZSA-N 456.344 3.376 10 10 JGCE COC(=O)c1ccc(O)c(-c2csc(NS(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)n2)c1 1858073816 KSVGFXDPCCICLO-UHFFFAOYSA-N 473.532 3.012 10 10 JGCE COc1ccc(CN2C(=O)c3ccc(C(=O)N4CCN(c5ccc(OC)cc5)CC4)cc3C2=O)cc1 1860362124 DGBMPXYVORVNGC-UHFFFAOYSA-N 485.540 3.462 10 10 JGCE COCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864008876 UHGHHBXCJAWDGJ-FQEVSTJZSA-N 484.940 3.093 10 10 JGCE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864018593 OSPQJKFYLNFZFC-HXUWFJFHSA-N 489.557 3.313 10 10 JGCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC[C@@H]1CO)[C@@H]2c1ccc(O)c(O)c1 1865031273 CYYOYNYFQZBHNJ-WIYYLYMNSA-N 490.560 3.049 10 10 JGCE COc1ccc(N2CCN(c3cc(N4CCC(N(C)C)CC4)nc(-c4cccnc4)n3)CC2)cc1 1868004908 VHRKRKZNSBBXEI-UHFFFAOYSA-N 473.625 3.404 10 10 JGCE CCN(CC)CCN=c1nc(Nc2ccc(F)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871515998 MBJUEVXNLYYWBE-UHFFFAOYSA-N 494.619 3.265 10 10 JGCE CCN(CC)CCCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CC 1873570931 PGHHDTWSZFIWMB-UHFFFAOYSA-N 493.656 3.248 10 10 JGCE Cc1[nH]c2c3ccccc3nn2c(=O)c1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179681 KSRBGKUMFBKITB-UHFFFAOYSA-N 462.465 3.441 10 10 JGCE O=C1Nc2ccc([N+](=O)[O-])cc2C1=C1SC(=S)N(NC(=O)c2ccccc2Cl)C1=O 2314722852 WVIXGBBCANOREM-UHFFFAOYSA-N 460.880 3.117 10 10 JGCE O=C1NC(=S)S[C@H]1CNc1ccc(Cc2ccc(NC[C@H]3SC(=S)NC3=O)cc2)cc1 3065476 WVEYEVAOIQTVNL-CALCHBBNSA-N 488.685 3.134 10 10 JGCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@H]3C=CC[C@@H]32)ccc1O 14459099 HREIMUWMVARQNM-JXQFQVJHSA-N 455.580 3.163 10 10 JGCE CCOc1cc(/C=C2/SC(=S)N(NC(=O)Cc3ccccc3)C2=O)ccc1OCC(=O)O 16916094 KKOBBNFWHWWLGI-WOJGMQOQSA-N 472.544 3.024 10 10 JGCE COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)Nc3cc(F)ccc3F)c3ccco3)CC2)cc1 38619678 JCPPHOVXCDEPGO-QFIPXVFZSA-N 484.503 3.185 10 10 JGCE CCOc1cc(/C=C2\SC(=S)N(NC(=O)Cc3ccccc3)C2=O)ccc1OCC(=O)O 210461046 KKOBBNFWHWWLGI-WQRHYEAKSA-N 472.544 3.024 10 10 JGCE COc1ccc(N2CCN(C(=O)c3ccc4c(=O)n(-c5ccc(F)cc5)cnc4c3)CC2)cc1 1860181743 POELLPLGHXYQDT-UHFFFAOYSA-N 458.493 3.496 10 10 JGCE O=C(N=c1[nH]nc(C2CCCCC2)s1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1860742421 XAEZXGWIDMWONB-UHFFFAOYSA-N 460.515 3.360 10 10 JGCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NC2CCCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1864007657 ROIWXCXEBGOHGE-QFIPXVFZSA-N 476.533 3.354 10 10 JGCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3ccccc3Cl)CC2)cc1 1865156459 IXTSXNUIJPBFTD-QFIPXVFZSA-N 493.995 3.434 10 10 JGCE O=C(C[C@@H]1NC(=O)N(c2cc(F)c(F)c(F)c2)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874016170 BSWUAKCQXAUOAM-SFHVURJKSA-N 493.397 3.333 10 10 JGCE CCCc1nn2c(=O)cc(COc3ccc(C=C4C(=N)N5N=C(C)SC5=NC4=O)cc3)nc2s1 2297350798 XFZUGHLSGFLWDY-UHFFFAOYSA-N 493.574 3.322 10 10 JGCE NS(=O)(=O)c1ccc(CCN2C(=O)/C(=C/c3ccccc3OC(F)F)SC2=S)cc1 20413067 ZTBBSRZECZCXIE-WJDWOHSUSA-N 470.544 3.379 10 10 JGCE COc1cc(NC(=O)c2ccc(I)cc2)c(N2CCOCC2)cc1OC 20496314 YPECAUQRNIGAGP-UHFFFAOYSA-N 468.291 3.397 10 10 JGCE CC(=O)N1CCN([C@H]2CN(c3nnc(C(C)C)n3CCCSc3nccs3)C[C@H]2C)CC1 1286886057 AKTMKNOKSBGMHV-MJGOQNOKSA-N 477.704 3.029 10 10 JGCE O=C(CNCc1cc(Cl)ccc1O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 1860721099 GLZCCVIXCACPJO-UHFFFAOYSA-N 482.349 3.018 10 10 JGCE COc1ccc(N2CCN(C(=O)CNC(=O)C3CCN(Cc4ccccc4Cl)CC3)CC2)cc1 1861973671 LTTCLYRVKXWROJ-UHFFFAOYSA-N 485.028 3.026 10 10 JGCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865029429 MYTCEJQKHTWWKA-OAQYLSRUSA-N 460.534 3.458 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@H](Cc3ccccn3)c3ccccc3)CC2)cc1 1868659734 QYJVYYQNQHAGDK-HFZDXXHNSA-N 472.589 3.270 10 10 JGCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCCc1c[nH]c2ccccc12 2313681781 NENLDZNCEMWQQA-UHFFFAOYSA-N 461.478 3.448 10 10 JGCE C[C@@H](C(=O)NCCCC(=O)O)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314836919 LTGUMERXKQHPCU-JTQLQIEISA-N 457.371 3.020 10 10 JGCE CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCCOC)C1=O 33928192 YIYVVUSINGBZQF-SAPNQHFASA-N 476.624 3.079 10 10 JGCE CCCN(CCC)c1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCOC)C1=O 34721913 KCFATJNVOKRECL-SAPNQHFASA-N 460.625 3.477 10 10 JGCE COc1ccccc1N1C(=O)/C(=C2/C(=O)N(CN3CCN(C)CC3)c3ccccc32)SC1=S 38204991 QROWHORTRBNLNH-MRCUWXFGSA-N 480.615 3.023 10 10 JGCE CC(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCSCC3)cc2)[C@@H](C)C1 1540973997 FYIAHLUYCIPGBW-SFHVURJKSA-N 456.660 3.234 10 10 JGCE CCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1865026280 LRDXLUNQVBIVRE-NRFANRHFSA-N 466.513 3.353 10 10 JGCE CCOC(=O)c1c(NC(=O)[C@@H](N)CCCNC(=N)N)sc(C)c1-c1ccc(Br)cc1 1866115228 DNRWINRPBVFRLU-AWEZNQCLSA-N 496.431 3.192 10 10 JGCE CCCN(CCC)c1cccc(C(=O)N[C@@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)n1 1868605207 VVPMQYXOBMGBRM-FQEVSTJZSA-N 467.614 3.184 10 10 JGCE COc1ccc(N2CCN(c3nc(NC(=O)c4cccnc4)n(-c4ccccc4)n3)CC2)cc1 1869969614 GRWAQTBDVCZTBX-UHFFFAOYSA-N 455.522 3.250 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3C[C@@H](c3ccc(O)cc3)N(C)C)CC2)cc1 1870555827 AENFEPNRRKAWDK-SANMLTNESA-N 492.620 3.196 10 10 JGCE COc1ccc(CNc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(C)C2=O)cc1 2296710608 CJZBBJCOHQASKA-UHFFFAOYSA-N 452.561 3.455 10 10 JGCE Cc1cc(C=C2C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c(C)n1-c1cccc(F)c1 2297352817 ZHQVASWWKKWZPX-UHFFFAOYSA-N 452.515 3.142 10 10 JGCE Cc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c(C)c1 20207732 GVKAGHLFQBMFHL-HORDIMCOSA-N 498.586 3.383 10 10 JGCE CCS(=O)(=O)c1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)no2)cc1 40325207 CWWMTXFKBMBBGO-QFIPXVFZSA-N 470.595 3.234 10 10 JGCE COc1cccc(C2=NN(C(=O)/C=C3/SC(=O)NC3=O)[C@@H](c3ccc(N(C)C)cc3)C2)c1 101453972 JIYIHDHQXHQJLQ-CVNFFVDQSA-N 450.520 3.306 10 10 JGCE COC(=O)c1ccc(-c2ccc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)o2)cc1 102481526 NSDRSTCHMMQHOH-SZRLJQQQSA-N 491.529 3.365 10 10 JGCE COc1ccc(-c2nc(NS(=O)(=O)c3ccc4c(c3)CC(=O)N4)sc2CCC(=O)O)cc1 1858034940 LFDUMWOCPYXPQP-UHFFFAOYSA-N 473.532 3.131 10 10 JGCE Cc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC(C)(C)C)cc1)=C(N)O2 1864008621 OLALKECGEVANDA-OAQYLSRUSA-N 478.549 3.328 10 10 JGCE C[C@@H](NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1ccc(O)c(O)c1)c1ccccc1 1864015297 OAVOQPDMEIYRTC-BZNIZROVSA-N 474.439 3.422 10 10 JGCE CCOC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1NC(=O)c1cc(O)c(O)c(O)c1 1865876453 LWNSDUMUBWXTOD-UHFFFAOYSA-N 476.283 3.489 10 10 JGCE CC[C@H](NC(=O)c1nc(C(C)(C)C)n2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868783586 JFVCKZUIMKLJLJ-NRFANRHFSA-N 477.609 3.498 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCCOc4ccccc4)cn3CCO)CC2)cc1 1870636527 ZQCVRHMTWSQHGC-UHFFFAOYSA-N 493.604 3.019 10 10 JGCE COCCN1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 2296706713 LHOFMWOBLOATAM-GASCZTMLSA-N 458.609 3.024 10 10 JGCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)N=C2S1 2297499472 HHORKKTUOYFIJN-UHFFFAOYSA-N 473.492 3.175 10 10 JGCE C[C@@H](NC(=O)CCCCCN1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1=S)C(=O)O 15045071 PRTRIRJVVPHEIS-MKVLZVNKSA-N 456.973 3.397 10 10 JGCE COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)Nc3ccc(F)cc3F)c3ccco3)CC2)cc1 38619672 OCPWMSVPWCGXRM-QFIPXVFZSA-N 484.503 3.185 10 10 JGCE CCOC(=O)c1cnn2c(O)cc(CN(C[C@@H](O)COc3cccc4ccccc34)C(C)C)nc12 58407066 NZHJFPOFSZRINQ-HXUWFJFHSA-N 478.549 3.415 10 10 JGCE COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(CN3CCOCC3)s2)cc1OC 170548754 ZNPBYMZEMTWJPS-UHFFFAOYSA-N 475.592 3.460 10 10 JGCE COc1ccc(/C=C2/SC(=S)N(CCC(=O)NC[C@H](c3ccco3)N(C)C)C2=O)cc1 205607540 KAKXSKQHLWORFT-HNMKQIAWSA-N 459.593 3.299 10 10 JGCE O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@@H]3C=CC[C@@H]32)c1 226845634 VMPSWAYCILGTQK-HYFFOGBASA-N 457.508 3.148 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)c3csc(-c4ccc5c(c4)OCCO5)n3)CC2)cc1 731342936 GWLKPNFAUBMGIT-UHFFFAOYSA-N 480.590 3.142 10 10 JGCE CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3Cc3ccc(N(C)C)c(F)c3)C[C@H]2C)CC1 1596144540 QIFWNNRAJOTNHM-CJFMBICVSA-N 499.679 3.109 10 10 JGCE C=C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(N3CCC(CO)CC3)cc2)CC1 1705762657 FHMIOIQRHWTCRF-NRFANRHFSA-N 469.630 3.416 10 10 JGCE CCOc1cc(C)c(S(=O)(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1C 1857951858 KKTBJMARXWJNBV-UHFFFAOYSA-N 464.584 3.239 10 10 JGCE COc1ccc(N2CCN(C(=O)CCc3ccc(S(=O)(=O)NC4CCCC4)cc3)CC2)cc1 1858100888 VCOXYMXYTWKBEJ-UHFFFAOYSA-N 471.623 3.198 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCN(c4ccc(Br)cc4C)C3=O)CC2)cc1 1858110188 KISFHZXRYZSJSI-HXUWFJFHSA-N 472.383 3.468 10 10 JGCE CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179418 CVXRGQPHMKHQGK-UHFFFAOYSA-N 473.510 3.427 10 10 JGCE O=C(O)CN1C(=O)C(=Cc2c(Oc3ccccc3Cl)nc3ccccn3c2=O)SC1=S 2295852199 IYMKOGFNHBDEKZ-UHFFFAOYSA-N 473.919 3.426 10 10 JGCE CCC(=O)NCCc1c(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)[nH]c2ccccc12 2296110202 HIGVRFZPACLGNT-UHFFFAOYSA-N 460.559 3.376 10 10 JGCE CC[C@H](C)[C@H](NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21)C(=O)O 2297718114 IMVWAJXNWCDNLY-KXXXHFJOSA-N 474.561 3.404 10 10 JGCE COc1cc(C=C2SC(=S)N(NC(=O)C3CCCCC3)C2=O)ccc1O[C@H](C)C(=O)O 2314933124 TZNHPJFSHZDWAR-GFCCVEGCSA-N 464.565 3.360 10 10 JGCE Cc1nnc(NC(=O)CN2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)s1 33414045 FDMVHCMSMLEZDG-IZZDOVSWSA-N 455.384 3.449 10 10 JGCE C[C@H](c1ccccc1)N1C(=O)/C(=C\c2c(NCCCO)nc3ccccn3c2=O)SC1=S 33933445 NCQDDYGWEYDIIA-LWFDYCOSSA-N 466.588 3.451 10 10 JGCE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3cc(F)ccc3OC)c3ccco3)CC2)cc1 38619286 HMSSSRCZGDUGEM-NRFANRHFSA-N 489.569 3.278 10 10 JGCE CC[C@@H](C)N1C(=O)/C(=C\c2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC1=S 102431071 FCCZKXYOUQTQDB-OVGFGYAMSA-N 468.608 3.393 10 10 JGCE Cc1c(CC(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@H]45)[C@H]32)c(=O)oc2c(O)c(O)ccc12 504629472 RIUHVCNJKHMQAL-NIMADECDSA-N 464.562 3.477 10 10 JGCE biogenic COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 1861917405 QMXNWVZPFQGZIA-FQEVSTJZSA-N 490.969 3.121 10 10 JGCE CN(C)c1ccc([C@H](CNC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1866021131 XBIWIPAZSDUDLC-VWLOTQADSA-N 481.597 3.454 10 10 JGCE CCOC(=O)N1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(C(C)(C)C)n2)CC1 1867968894 FADLJOSNBZPINI-UHFFFAOYSA-N 482.629 3.388 10 10 JGCE COCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cc(Cl)ccc2C)[nH]1 1871511537 GXFKBCSCBTWMGL-UHFFFAOYSA-N 498.031 3.204 10 10 JGCE O=C1C(=Cc2c(N3CCOCC3)nc3ccccn3c2=O)SC(=S)N1CCCc1ccccc1 2040517831 OGWKPUGTFOHDSK-UHFFFAOYSA-N 492.626 3.365 10 10 JGCE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)=C[C@H]1O 2136311960 OZZIKXANPUJHDD-QFBILLFUSA-N 459.543 3.359 10 10 JGCE O=C1C(=Cc2c(NCc3ccco3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1 2297736573 KKPXFBIRBBVHIA-HNNXBMFYSA-N 468.560 3.280 10 10 JGCE CCOc1cc(N2CCOCC2)c(OCC)cc1N=NN1CCN(C(=O)c2ccco2)CC1 2330189186 WLEHBQNFTDFXKN-UHFFFAOYSA-N 457.531 3.370 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4F)cc3)C(=N)N21 20206611 GSDIBEKHNMPZKY-FWPSJRISSA-N 472.523 3.416 10 10 JGCE COc1cccc(/C=C2/SC(=S)N(CCNC(=O)Cc3ccccc3[N+](=O)[O-])C2=O)c1 62060662 OMEJIYXIYLXOQH-LDADJPATSA-N 457.533 3.164 10 10 JGCE O=C(O)CCNC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 586693640 VQUIRAASPOIAML-UHFFFAOYSA-N 457.442 3.311 10 10 JGCE CC[C@@H](C)[C@@H](CO)NC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860344728 BOVXUXBUZKBESY-VGOFRKELSA-N 458.562 3.488 10 10 JGCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864012641 FTYVXHPREWWMBI-LJQANCHMSA-N 468.941 3.448 10 10 JGCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@@H](C)CC)[C@H]2c1ccc(O)c(O)c1 1864022922 RPQDHLPPCBIVAY-HZMBPMFUSA-N 454.449 3.332 10 10 JGCE Cc1ccc(-n2nc(C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)c(=O)cc2C)cc1 1866283091 DINDSEZZIMGXAG-HSZRJFAPSA-N 456.550 3.168 10 10 JGCE COc1cc(N2CCOCC2)ccc1C=C1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 2297353301 DUOBYGCXPFJDAU-UHFFFAOYSA-N 457.939 3.017 10 10 JGCE Cc1ccc(-c2ccc(C=C3SC(=S)N([C@H](CCC(N)=O)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1 2314541778 QAUYPXLFQNEVKR-CYBMUJFWSA-N 475.504 3.083 10 10 JGCE O=C(O)c1ccc(N2C(=O)C[C@@H](N3C(=O)C(=Cc4ccc(F)cc4)SC3=S)C2=O)cc1 2314832259 CZHJMOYBNJCFEJ-OAHLLOKOSA-N 456.476 3.057 10 10 JGCE O=C(O)CCN1C(=O)/C(=C\c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC1=S 2244886 DGIXYDXAKZEXFA-RVDMUPIBSA-N 471.491 3.302 10 10 JGCE CCOc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)NCCCCCC(=O)O)C2=O)ccc1O 15048036 VZUBKQIBRKMDLZ-IGWPVBGESA-N 466.581 3.142 10 10 JGCE C[C@H](Oc1ccccc1Cl)C(=O)N(Cc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 33478749 WMLXMVLELQDGLY-LPHOPBHVSA-N 450.988 3.389 10 10 JGCE COc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)cc(OC)c1OCCOc1ccccc1 33774478 MMRSBDSGYGCZJF-BHBBQXGTSA-N 452.492 3.411 10 10 JGCE CC(=O)N1CCN(C(=O)c2ccc(C)nc2C2CCN(Cc3ccc(N(C)C)cc3)CC2)CC1 34730164 YMMVMPFORROLGE-UHFFFAOYSA-N 463.626 3.140 10 10 JGCE CCN(CC)S(=O)(=O)c1ccc2c(c1)cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2C 35560964 HSGVQXJZKWDECK-UHFFFAOYSA-N 484.622 3.180 10 10 JGCE CCN(CC)c1ccc(C=c2sc(=CC(=O)C(C)(C)C)n(CC(=O)NC3CCCCC3)c2=O)cc1 254760808 IWUHTDJTQMTSLW-UHFFFAOYSA-N 497.705 3.429 10 10 JGCE CCOc1ccccc1OCC(=O)N[C@](C)(CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862176441 LAYXNCCDNMGBIR-AREMUKBSSA-N 469.582 3.106 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1864016085 ZZYSLQKQUPRREL-MRXNPFEDSA-N 492.429 3.331 10 10 JGCE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865032574 GEEUXFKYLJTYLN-NRFANRHFSA-N 462.550 3.468 10 10 JGCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cccc(F)c1 1865544666 DCPVBCUJDPTTCF-HSZRJFAPSA-N 491.567 3.403 10 10 JGCE CCCC[C@@H](NC(=O)[C@@H](c1ccccc1)N(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868674971 HJIYBYCGFFSLOJ-JWQCQUIFSA-N 466.626 3.322 10 10 JGCE CC(=O)NCCN1C(=O)C(Nc2ccc([N+](=O)[O-])cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422055 DBZHBUHSQVSGRO-UHFFFAOYSA-N 487.516 3.330 10 10 JGCE COc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCC(=O)O 2294094850 AETNDOWLBPFKLN-UHFFFAOYSA-N 458.854 3.095 10 10 JGCE CC[C@@H](Oc1cccc(C=C2SC(=S)N(NC(=O)Cc3ccccc3)C2=O)c1)C(=O)O 2314930379 CDPWMVCQSUZMBU-QGZVFWFLSA-N 456.545 3.404 10 10 JGCE Cc1cc(C(=O)NCC(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)ccc1[N+](=O)[O-] 12427100 NKPWQVGVALIXDY-UHFFFAOYSA-N 493.472 3.195 10 10 JGCE Cc1cc(/C=C2\NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 33347540 AKIFOEWWTVEWED-NDENLUEZSA-N 470.938 3.492 10 10 JGCE O=C(C1=CN(c2cccc(OC(F)(F)F)c2)c2cc(F)ccc2S1(=O)=O)N1CCOCC1 65096352 MIGOCXOEZFYSNC-UHFFFAOYSA-N 472.416 3.350 10 10 JGCE COc1ccc(N2C(=O)/C(=C3\C(=O)N(CN4CCOCC4)c4ccccc43)SC2=S)cc1 108785738 DJLGJKKQBIRWGD-FMQUCBEESA-N 467.572 3.108 10 10 JGCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 252671959 OSUOPXGQCONECB-QFIPXVFZSA-N 465.550 3.003 10 10 JGCE CCC[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861953501 KQDWCNWBPMZRMZ-HANTZDOSSA-N 466.538 3.250 10 10 JGCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCc1ccc(Cl)cc1)[C@@H]2c1ccc(O)c(O)c1 1864010069 OSCPWJQAZHYQDT-LJQANCHMSA-N 454.914 3.287 10 10 JGCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1864012268 WHSNZELQSVXZKI-YEJXKQKISA-N 466.513 3.399 10 10 JGCE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)N2CCC(C)CC2)=C(N)O3)cc1 1865033749 HLEPQYFRZDZPAN-OAQYLSRUSA-N 490.560 3.460 10 10 JGCE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4ccccc4Cl)n(C)n3)CC2)cc1 1869969171 IKOCDULSVBFYHM-KPKJPENVSA-N 452.946 3.456 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCC(=O)NC4CCCCC4)cc3)CC2)cc1 1872722871 BEAWGBVQDNCUPC-UHFFFAOYSA-N 487.622 3.034 10 10 JGCE CN(CCCNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)Cc1ccccc1 2136241165 VWMXQWQEYJZPDW-FQEVSTJZSA-N 457.571 3.172 10 10 JGCE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c([N+](=O)[O-])cc1OC 2294093720 IEEQZQQLZAOYNC-UHFFFAOYSA-N 476.239 3.041 10 10 JGCE O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 2294095266 MLHAUFHHASTRJO-UHFFFAOYSA-N 474.385 3.177 10 10 JGCE CC(=O)NCCc1c(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)[nH]c2ccccc12 2297057193 RICIGBXEPFHVNB-UHFFFAOYSA-N 466.950 3.331 10 10 JGCE CC[C@H]1Sc2ccc(S(=O)(=O)CCC(=O)NCc3ccc(N(C)C)cc3)cc2NC1=O 9118690 YELINDVWBYOUBH-LJQANCHMSA-N 461.609 3.056 10 10 JGCE CC(=O)N[C@H](CC(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 9385322 LUMGPWQGAQNBBY-JOCHJYFZSA-N 470.481 3.211 10 10 JGCE COc1ccc(N2CCN([C@@H](CNC(=O)COc3ccc(F)cc3)c3ccco3)CC2)cc1 56943614 AJSBHILKCDPBOF-QHCPKHFHSA-N 453.514 3.486 10 10 JGCE CCn1c2c(c(=O)n3ncc(C(=O)NCc4ccc(N(C)C)cc4)c13)CN(Cc1ccccc1)CC2 64835985 GWQRKVKEDVBBSW-UHFFFAOYSA-N 484.604 3.070 10 10 JGCE CCOc1cc(/C=C2/SC(=S)N(CCC(=O)NCCCCCC(=O)O)C2=O)ccc1O 210704197 LCVXHCSIKXZFJV-GHRIWEEISA-N 466.581 3.143 10 10 JGCE CCCCN1C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]2C1=O 248034199 IYOOOPCLSPKKSZ-TVQWTUMOSA-N 488.588 3.346 10 10 JGCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 254305532 LOBRYWLEAXZXRY-HSZRJFAPSA-N 461.587 3.173 10 10 JGCE Cc1c(CC(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@@H]45)[C@H]32)c(=O)oc2c(O)c(O)ccc12 504629473 RIUHVCNJKHMQAL-RWTJRTBCSA-N 464.562 3.477 10 10 JGCE biogenic CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2 1864012581 DLEJHESXNDEIML-QFIPXVFZSA-N 492.576 3.061 10 10 JGCE CCOc1ccc(C(=O)NCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867529433 HOBUZCBQZMZTMU-XMMPIXPASA-N 452.599 3.225 10 10 JGCE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4cccc(Cl)c4)n(C)n3)CC2)cc1 1869970127 ZAEVPGPPXIWLQQ-IZZDOVSWSA-N 452.946 3.456 10 10 JGCE C[C@H]1C[C@@H](NC(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C 2200951905 OFPWLSNNKLFHJD-UAGQMJEPSA-N 479.574 3.048 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)C=Cc3cc(OC)ccc3OC)CC2)cc1 2331202037 WYMQOXVRKGZREY-XMMPIXPASA-N 479.577 3.065 10 10 JGCE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(O)c(O)cc2C1 2341195745 JBNYJDLNXVSADX-AOMKIAJQSA-N 456.539 3.481 10 10 JGCE O=C(O)CCCCCN1C(=O)/C(=C/c2c(N3CCCC3)nc3ccccn3c2=O)SC1=S 33451853 UOGUQJADLWKQTM-PEZBUJJGSA-N 472.592 3.141 10 10 JGCE COc1ccc(OC)c([C@H]2CC(c3cccn3C)=NN2C(=O)CN(C)C(=O)C2CCCC2)c1 35963825 XLDKMJOAMSSFET-JOCHJYFZSA-N 452.555 3.369 10 10 JGCE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccccc3OC)c3ccco3)CC2)cc1 38598288 UDYDEZOQXKFQRH-OAQYLSRUSA-N 471.579 3.139 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)c3csc(COc4ccc(F)cc4)n3)CC2)cc1 742919626 AFVZPWOXZDSQQP-UHFFFAOYSA-N 470.570 3.422 10 10 JGCE COc1cc(/C=C2/C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc(OC)c1O 1084224423 IOMLUNMHANQVJG-QPEQYQDCSA-N 475.295 3.455 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)C3(c4ccccc4Br)CC3)cc2)CC1 1154270915 FJANXNISYUUPFI-UHFFFAOYSA-N 456.384 3.466 10 10 JGCE COc1ccc(N2CCN(C(=O)Cc3nn(Cc4ccccc4)c(=O)c4ccccc34)CC2)cc1 1860241717 JJXLJFCLSWMVMN-UHFFFAOYSA-N 468.557 3.345 10 10 JGCE CCOc1cccc(CNCCC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1O 1860711258 PRPBFPDHJYEEMF-UHFFFAOYSA-N 499.593 3.117 10 10 JGCE O=C(O)CCCN1C(=O)/C(=C\c2cn(CC(=O)NC[C@@H]3CCCO3)c3ccccc23)SC1=S 1860826794 NCFCXKMJLJWBIS-ZVCOJXFSSA-N 487.603 3.003 10 10 JGCE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864017977 ZSQADCFICBOYCQ-QKKBWIMNSA-N 478.549 3.464 10 10 JGCE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865035096 LBSRKRMJQXCOMU-NRFANRHFSA-N 460.534 3.156 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4F)cn3CCN(C)C)CC2)cc1 1870346740 AWWWMSLZARNFMU-UHFFFAOYSA-N 494.611 3.459 10 10 JGCE COc1ccc(CCN2C(=O)C(=CN3CCN(CCc4ccccn4)CC3)SC2=S)cc1OC 2296535588 ZGRFAZSXAIMTTR-UHFFFAOYSA-N 498.674 3.203 10 10 JGCE COc1cccc(C=C2SC(=S)N(CCC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C2=O)c1 2297748085 CSFKLDGUXIUJHW-MSOLQXFVSA-N 495.626 3.094 10 10 JGCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(OC)cc1OC 2313683238 VJILQFVERBVYDU-UHFFFAOYSA-N 454.439 3.264 10 10 JGCE CC(C)CN1C(=O)/C(=C/c2c(N3C[C@H](C)O[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 33439061 PZTIVJHQOAGXEX-PCEHLNCXSA-N 458.609 3.165 10 10 JGCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C)C3=O)c(NCc3ccc4c(c3)OCO4)nc12 35403848 GZDRTZOTZCYWRH-RQZCQDPDSA-N 466.544 3.175 10 10 JGCE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3cc(F)cc(F)c3)c3ccco3)CC2)cc1 49486577 AQQMJJGPJOGBMK-QFIPXVFZSA-N 477.533 3.408 10 10 JGCE C[C@H]1CN(c2ccc(CNC(=O)CSc3ncn(-c4ccccc4)n3)cc2F)C[C@@H](C)O1 917205126 HAPUWECGDNFTKA-CALCHBBNSA-N 455.559 3.429 10 10 JGCE CCOC(=O)c1c(NC(=O)C(=O)NC2=NCCS2)sc(C)c1-c1ccc(OCC)cc1 1860767850 KNLIWDBPRQCBJC-UHFFFAOYSA-N 461.565 3.456 10 10 JGCE CCOC(=O)c1ccc(CN2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 1860827278 VVRYISRHFAVXAR-VXPUYCOJSA-N 496.566 3.456 10 10 JGCE COCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864012006 OYIRLGRQNRKWAA-NRFANRHFSA-N 498.967 3.152 10 10 JGCE COc1ccc(N2N=C(C)/C(=C\c3ccc(OCCN4CCOCC4)c(OC)c3)C2=O)cc1 1865665804 MUWIWYBZXSOFQQ-CJLVFECKSA-N 451.523 3.221 10 10 JGCE CN(C)c1ccc([C@H](NC(=O)c2cc(=O)c3cc(F)c(F)c(F)c3[nH]2)c2nccn2C)cc1 1866515140 JHIZPUHGNXXCGS-FQEVSTJZSA-N 455.440 3.264 10 10 JGCE CCCC[C@H](NC(=O)c1cc(-c2ccncc2)[nH]n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868979679 MDZJMKZKTUMNRC-QFIPXVFZSA-N 476.581 3.118 10 10 JGCE CCCCOc1cn(CCCN2CCCC2=O)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870659471 FWFVSJVGQFTTRZ-UHFFFAOYSA-N 496.652 3.371 10 10 JGCE CCCNC(=O)COc1cn(CCC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870683261 AJWJABNOKDASQA-UHFFFAOYSA-N 484.641 3.130 10 10 JGCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C=Cc1ccc(S(=O)(=O)NCc2ccco2)cc1 2042448719 QJJLRXBADVXYEL-UHFFFAOYSA-N 495.601 3.267 10 10 JGCE CO[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@H]1NC(=O)OC(C)(C)C 2122657689 UZZWCKAUDDNLKP-UYAOXDASSA-N 462.591 3.290 10 10 JGCE C[C@@H](Oc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1)C(=O)O 2294229473 XTAQVVSCZZOVMV-LLVKDONJSA-N 475.320 3.132 10 10 JGCE CCN(CC)CCC[C@@H](C)NC=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 2296033241 TZZPMFNXUHSWLT-CQSZACIVSA-N 451.365 3.016 10 10 JGCE COCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3cccc(C)c3)c3ccccc32)SC1=S 2304111 IHUISSXLEPSWRR-FMQUCBEESA-N 467.572 3.198 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cc(C)n(-c4cccc(C)c4)c3C)C(=N)N21 20206869 GBIANUNADQOBLL-JMCWYTMQSA-N 455.565 3.414 10 10 JGCE CN(C)CCNC(=O)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 586630357 WEEQLFJECSWPFM-UHFFFAOYSA-N 456.502 3.397 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)NCc3ccc(OC4CCCC4)nc3)CC2)cc1 743362556 FPZZHFSQYXJFTH-UHFFFAOYSA-N 453.587 3.033 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cccc(COC4CCCCC4)c3)CC2)cc1 743432153 HFYXGIMYNZNFQH-UHFFFAOYSA-N 494.636 3.421 10 10 JGCE CC(=O)N1CC[C@@H](CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(N(C)C)cc2C)C1 1540938280 WLKCJGCROKFCAH-CUNXSJBXSA-N 498.672 3.046 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cnn(Cc4ccccc4)c3Cl)cc2)CC1 1567592080 POWKYSPHLRSEBQ-UHFFFAOYSA-N 451.958 3.183 10 10 JGCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N([C@H](CCSC)C(=O)O)C2=O)cc1 1858590201 BSINVBYUCAXJOI-QRYYFKOISA-N 482.649 3.341 10 10 JGCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCCC1)[C@H]2c1ccc(O)c(O)c1 1865033500 AYWPBAVFTVYYEG-HNNXBMFYSA-N 466.460 3.286 10 10 JGCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccccc4C(F)(F)F)n(C)n3)CC2)cc1 1869969127 FYXYKRHBYDXFIZ-UHFFFAOYSA-N 460.460 3.421 10 10 JGCE O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874180015 VTLANTZBNBHTNQ-UHFFFAOYSA-N 468.918 3.423 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@@](C)(NC(=O)OC(C)(C)C)C1 2200962384 NZZSFNGDODTCSI-UPCLLVRISA-N 479.574 3.049 10 10 JGCE COc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c1C 2297345425 VHJQPQODGFZRBF-UHFFFAOYSA-N 491.982 3.377 10 10 JGCE CC(C)CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(N(C)C)c(Br)c3)C(=N)N21 2297345580 JLEBFSOZEFHNTK-UHFFFAOYSA-N 498.428 3.163 10 10 JGCE COCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCCCCC2)SC1=S 33459683 ORKMTPUPDDQDAW-QGOAFFKASA-N 460.625 3.184 10 10 JGCE COc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)ccc1O 210698856 PWUOKBKSXUFZHQ-GZTJUZNOSA-N 458.517 3.329 10 10 JGCE CCc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 1860826707 JMLDFNPMXYSAPA-MRCUWXFGSA-N 495.582 3.280 10 10 JGCE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864012699 HBBBCKXWBPCOAV-XOBRGWDASA-N 463.538 3.240 10 10 JGCE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865028997 CXQDGRPQWIROIB-LRAJWGHMSA-N 454.571 3.458 10 10 JGCE CC[C@H](NC(=O)Cc1ccc2nc(O)c(C)cc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868814351 JBWLVGSFCAJKTJ-QHCPKHFHSA-N 476.577 3.044 10 10 JGCE O=C(N[C@@]1(c2cc(I)ccc2O)C[C@@H]1C(=O)O)OCc1ccccc1 1952774892 LZOZEKVAGUQTQC-RDTXWAMCSA-N 453.232 3.223 10 10 JGCE CN(C)CCNC=C1C(=O)N(c2ccccc2)C(=S)N(c2ccc(Br)cc2)C1=O 2296917078 LDZVHPQACAFGCK-UHFFFAOYSA-N 473.396 3.149 10 10 JGCE Cc1ccc(-n2c(C)cc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2C)cc1C 2297499288 OIAFVUNXELEGEM-UHFFFAOYSA-N 455.565 3.332 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cnn(-c4ccc(OC)cc4)c3C3CCNCC3)CC2)cc1 15726965 PRIRLYLWIVKBGP-UHFFFAOYSA-N 475.593 3.319 10 10 JGCE COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OC(=O)C[C@@H]1SC(=O)NC1=O 33724016 ARBHXSWHQHSVQF-LZOLKVDOSA-N 465.487 3.148 10 10 JGCE COC(=O)c1ccccc1Nc1ncnc(N2CCN(c3ccc(OC)cc3)CC2)c1[N+](=O)[O-] 40611177 IUCULUCMOOPQHG-UHFFFAOYSA-N 464.482 3.250 10 10 JGCE O=C(/C=C\c1ccc(N2CCCCCC2)cc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 96925376 LZTIKFCZBZPUPC-YFHOEESVSA-N 477.634 3.494 10 10 JGCE COc1ccc(N2CCC(NC(=O)c3cc(S(=O)(=O)Nc4ccccc4F)c[nH]3)CC2)cc1 726561540 DBOIQASLYHADGG-UHFFFAOYSA-N 472.542 3.362 10 10 JGCE CC(=O)N/C(=C/C1=S=CC=C1)C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 1626487395 DAHJBVOIXMMUBP-KGENOOAVSA-N 456.545 3.119 10 10 JGCE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864008236 GMAQKYSZXYVTIA-NRFANRHFSA-N 498.967 3.481 10 10 JGCE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCC(N3CCCCC3)CC1)[C@H]2c1ccc(O)c(O)c1 1865029717 UDFRQRICKIEMDL-QHCPKHFHSA-N 495.624 3.184 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(C)C)cn3CCCCCO)CC2)cc1 1870437588 WPJZLWYIVCPRGU-UHFFFAOYSA-N 457.615 3.377 10 10 JGCE CN1C(=O)NC(=O)C(=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 2294118645 JKUVVJOQLRGRSJ-UHFFFAOYSA-N 460.240 3.028 10 10 JGCE CCCCN1C(=O)C(=Cc2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC1=S 2314433551 OWWQAPHVLUYLER-UHFFFAOYSA-N 486.619 3.039 10 10 JGCE O=C(O)CCCNC(=O)CCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 15040583 OGRJDWXCKOZWED-KAMYIIQDSA-N 471.398 3.412 10 10 JGCE CCOCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)NCc3ccccc3)c3ccccc32)SC1=S 33423731 NOCFGWZVUCERDB-QURGRASLSA-N 495.626 3.348 10 10 JGCE Cc1ccccc1NC(=O)CN1C(=O)/C(=C2/SC(N)=NC2=O)c2cc(Br)ccc21 54201908 QZRPXEYZFZNBKK-WUKNDPDISA-N 471.336 3.042 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)N(C)Cc3ccc(Br)s3)CC2)cc1 742947441 FWXSALLOTSAYIA-UHFFFAOYSA-N 467.433 3.483 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)[C@@H](C)c3ccc(Br)cc3)CC2)cc1 1868829700 DYCLCOWCMAKARJ-DLBZAZTESA-N 474.399 3.415 10 10 JGCE CCS(=O)(=O)c1ccc(O)c(N=c2nc(N3CCC[C@H](C)C3)[nH]c(N3CCC[C@@H](C)C3)n2)c1 1871737142 VIFATQKAHSJLOR-CALCHBBNSA-N 474.631 3.009 10 10 JGCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)C1(CN)CN(C(=O)OCc2ccccc2)C1 1990492581 UFRNNOPFPRDNIH-UHFFFAOYSA-N 454.571 3.497 10 10 JGCE Cc1cccc(N2C(=O)NC(=O)/C(=C\Nc3ncc(Br)cc3Br)C2=O)c1 101350065 KZCSDHMLRKEZPY-XYOKQWHBSA-N 480.116 3.494 10 10 JGCE COc1cccc([C@@H]2N[C@](CC3CCCCC3)(C(=O)O)[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]32)c1O 248261020 WCDORRJIXQVENC-FRBSRZPYSA-N 458.555 3.239 10 10 JGCE COC(=O)[C@@H](NC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)C(C)C 1860345237 WJHYEQNEXWOOKZ-QHCPKHFHSA-N 472.545 3.278 10 10 JGCE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C(F)(F)F)c1)=C(N)O2 1864019757 QEQRQFPKJXHXEM-SFHVURJKSA-N 488.466 3.424 10 10 JGCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1865026305 LXXQGNCRVCDTHT-OAQYLSRUSA-N 463.538 3.330 10 10 JGCE CCc1sc(NC(=O)[C@H]2C[C@@H](O)CN2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866041970 KTFWLUFHIWSANA-CHWSQXEVSA-N 453.358 3.188 10 10 JGCE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C[C@@H]2CCCO2)C1=O 1873170189 QMXVCTGXXBEKPO-QFIPXVFZSA-N 451.567 3.369 10 10 JGCE CN(C)c1ccc(C=Cc2nc3ccc(I)cc3c(=O)n2CCO)cc1 2297311785 QNSNNHHQMVNWOG-UHFFFAOYSA-N 461.303 3.230 10 10 JGCE Cc1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O 2297329453 KWMHLXLINLFRFA-UHFFFAOYSA-N 480.480 3.370 10 10 JGCE COc1cc(/C=C2/SC(=S)N(CCC(=O)NC3CCCC3)C2=O)cc(OC)c1OC 6906093 SQBLLJAHXHZBKB-SFQUDFHCSA-N 450.582 3.363 10 10 JGCE CN(C)c1cccc(C(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)c1 10273137 QKYANUITLGKEFM-YBFXNURJSA-N 455.561 3.113 10 10 JGCE O=C1/C(=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c2ccccc2N1CN1CCOCC1 38205421 SFNWUQYVRVIVNP-HNENSFHCSA-N 455.536 3.238 10 10 JGCE COc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCN(CCc4ccccn4)CC3)C2=O)cc1 38645433 AXCHSFCKPKMELR-PYCFMQQDSA-N 496.658 3.068 10 10 JGCE CCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N([C@@H](C)CC)C2=O)c(C)c(C#N)c1=O 39989942 LQXGIMJRVLTEPF-HIXWQLQUSA-N 460.625 3.275 10 10 JGCE COc1ccc2c(c1OC)C(=O)O[C@H]2NN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S 207329023 LOEADNTWFDNDOR-RKCSUWQLSA-N 473.488 3.187 10 10 JGCE O=C(O)CCOc1ccc(/C=C2/SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)cc1 210502132 DRLKMHNOVNFJEA-FRKPEAEDSA-N 473.484 3.342 10 10 JGCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCc3ccc(OCc4ccccn4)cc3)cc2)C1 918015768 CXRQFZSLRMDCCE-JOCHJYFZSA-N 473.577 3.362 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCCCN3Cc3cccc(F)c3)cc2)CC1 1154276074 NGKZEBOXIPPUEG-VWLOTQADSA-N 452.574 3.165 10 10 JGCE CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(N(C)C)cc2C)[C@H](C)C1 1596234176 AKWHVOKGXWIRCU-GOSISDBHSA-N 452.628 3.410 10 10 JGCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)/C=C/c3cccc(F)c3)cc2)cc1 1859007200 MYYBPSCYNWFIJX-AWNIVKPZSA-N 483.521 3.257 10 10 JGCE CCOc1ccc(/C=C/C(=O)N[C@@H](CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862158888 OMCZIZVHEIAWNS-ZJRYQZHFSA-N 451.567 3.351 10 10 JGCE CCC[C@@H](NC(=O)CCNc1ccccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868797140 YEKRHGPLFFPAFZ-HSZRJFAPSA-N 468.598 3.140 10 10 JGCE COC(=O)c1ccc(N2C[C@@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2=O)cc1 1874179256 VNGOAAPWDYOUHK-INIZCTEOSA-N 468.465 3.240 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cc(C)n(-c4cc(C)ccc4OC)c3C)C(=N)N21 2297345503 CLMMOUWJGYVRPT-UHFFFAOYSA-N 485.591 3.423 10 10 JGCE COC(=O)CN1C(=S)N(C)C(=O)/C1=C\c1cc(C)n(-c2ccc(Br)cc2)c1C 1103045 KQSZTPQEIJOXIC-LICLKQGHSA-N 462.369 3.429 10 10 JGCE CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NN(c4ccc(C(=O)OC)cc4)C3=O)o2)cc1 33333437 LHIVFNJSCXAQGD-XSFVSMFZSA-N 460.442 3.371 10 10 JGCE CCOc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(OCC(=O)OC)c(OC)c3)C2=O)cc1 34201523 PLJTZTNXIPARPS-BOPFTXTBSA-N 454.435 3.152 10 10 JGCE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3cccc([N+](=O)[O-])c3)c3ccco3)CC2)cc1 38619280 RDPFVLQFLDMMGI-JOCHJYFZSA-N 486.550 3.038 10 10 JGCE C[C@@H](Oc1ccc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1)c1ccccc1 205733599 DQNBUWKZKDOUHW-MNPKLQHESA-N 454.533 3.448 10 10 JGCE CCOC(=O)CCCN1C(=O)/C(=C/c2ccc(OCC(=O)N(CC)CC)cc2)SC1=S 206869146 CPMNRWJIGROBDK-JXAWBTAJSA-N 464.609 3.478 10 10 JGCE CCc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4O)N[C@](Cc4ccc(O)cc4)(C(=O)O)[C@@H]3C2=O)cc1 252019605 XOUCHVBCSSFHIV-TVQWTUMOSA-N 486.524 3.176 10 10 JGCE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 731405877 JBSRHMVSXPILMZ-QHCPKHFHSA-N 499.633 3.227 10 10 JGCE CCOC(=O)c1c(NC(=O)C(=O)N[C@H](C)C(=O)O)sc(C)c1-c1ccc(Br)cc1 1860757882 ACVAJIMVXQNYLY-SECBINFHSA-N 483.340 3.191 10 10 JGCE COC(=O)c1ccc(CN2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 1860826734 KYIWAPMMCFXRGF-HNENSFHCSA-N 482.539 3.066 10 10 JGCE CCCC[C@@H](NC(=O)c1ccc(=O)n(CC(C)C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861988739 CTRMTZQCUCSWDU-XMMPIXPASA-N 482.625 3.150 10 10 JGCE CCOC(=O)N1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(C(C)C)n2)CC1 1867950390 WJQOCZHDTLOHEA-UHFFFAOYSA-N 468.602 3.214 10 10 JGCE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3cccnc3)ncnc21 1875200504 RZMBTUUOKAHUNJ-UHFFFAOYSA-N 471.565 3.429 10 10 JGCE CCOCCCN1C(=O)C(=Cc2c(N3CCSCC3)nc3c(C)cccn3c2=O)SC1=S 2040498194 FEKNJDYFHXBKAS-UHFFFAOYSA-N 490.676 3.184 10 10 JGCE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)CCc2ccc(N)cc2)C1 2140607958 UXMMEEBJUSSUSC-QHCPKHFHSA-N 452.599 3.439 10 10 JGCE CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2N(C(=O)C2=C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C2)C1 2201009823 YTLXPVSESIJAMB-GGPKGHCWSA-N 473.570 3.053 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cc(C)n(-c4cccc(OC)c4)c3C)C(=N)N21 2297345620 MOUTVULOZIUAGQ-UHFFFAOYSA-N 471.564 3.114 10 10 JGCE N=C1C(=Cc2ccc(OCc3ccccc3[N+](=O)[O-])cc2)C(=O)N=C2SC(N3CCOCC3)=NN12 2297352758 SXDILZFHVDLRIH-UHFFFAOYSA-N 492.517 3.083 10 10 JGCE COc1ccc(C(=O)NN2C(=O)C(=Cc3ccccc3O[C@@H](C)C(=O)O)SC2=S)cc1 2314930601 GMSSMFJHRYRKOD-LBPRGKRZSA-N 458.517 3.093 10 10 JGCE CC[C@@](C)(NC(=O)C=Cc1ccccc1[N+](=O)[O-])C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328615275 LMJULDAFHVDVEE-RUZDIDTESA-N 466.538 3.250 10 10 JGCE CC1CCN(c2c(NCC3CCC(C(=O)NCc4ccc(N(C)C)cc4)CC3)c(=O)c2=O)CC1 20418623 RWKRFLVLWQPPKM-UHFFFAOYSA-N 466.626 3.120 10 10 JGCE CCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 33342558 UENAMGSCNKSJRE-LICLKQGHSA-N 466.544 3.256 10 10 JGCE COCCN1C(=O)/C(=C/c2cc3cccc(C)c3nc2N2CCC(C(N)=O)CC2)SC1=S 38732797 OHQWUWHMFZXPQJ-AQTBWJFISA-N 470.620 3.093 10 10 JGCE CCCCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 39991293 LTYUOJLCODKVPC-PDGQHHTCSA-N 488.635 3.495 10 10 JGCE COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)c(C)s2)cc1 727249449 WQCXMRZECUNKGG-UHFFFAOYSA-N 465.578 3.404 10 10 JGCE CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccc(N(C)C)cc3C)C[C@H]2C)CC1 1760601781 FPUNBRIKMNWENZ-PXDATVDWSA-N 495.716 3.377 10 10 JGCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(Cl)cc1)=C(N)O2 1864010364 LMZJOVGLEASFQC-FQEVSTJZSA-N 482.968 3.491 10 10 JGCE COCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864011322 GQJDUBXXKCTBIK-NRFANRHFSA-N 498.967 3.152 10 10 JGCE CCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864019596 MXKQUUJGFQRYGX-NRFANRHFSA-N 462.550 3.434 10 10 JGCE Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n[nH]1 1866831478 RQSJJCJZEHVEKB-QFIPXVFZSA-N 478.508 3.473 10 10 JGCE C[C@@H]1CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccco3)C2=O)C[C@@H](C)O1 2040498598 NGBRNIWBBPBCIW-HUUCEWRRSA-N 482.587 3.303 10 10 JGCE CCCN(CCC)c1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCCC(=O)O)C1=O 2296846718 YJMBGEOJOSEOSC-UHFFFAOYSA-N 474.608 3.387 10 10 JGCE CCOCCCN1C(=O)C(=Cc2c(NC[C@@H]3CCCO3)nc3ccc(C)cn3c2=O)SC1=S 2314414395 XWFFCDHJECRLSR-INIZCTEOSA-N 488.635 3.222 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)C=Cc3ccc(OC)c(OC)c3)CC2)cc1 2328495858 IERNKYUKYMYJIM-QHCPKHFHSA-N 479.577 3.065 10 10 JGCE CCn1cc(/C=C2\C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2ccccc21 8777623 BAFWNUYYBMKKHY-STZFKDTASA-N 451.548 3.199 10 10 JGCE COc1ccc(-c2noc(CSCC(=O)N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 15681032 ITPOOJNBLBJARL-UHFFFAOYSA-N 454.552 3.336 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)c3c(C(=O)N4CCCCCC4)c(C)n(C)c3C)CC2)cc1 20989964 MMVVKMWKOGZXOU-UHFFFAOYSA-N 488.654 3.178 10 10 JGCE CCOC(=O)COc1ccc(/C=C2\C(=O)N(c3ccc(OC)cc3)C(=O)N=C2O)cc1OC 33409682 CKWOWPXYPWAPBA-BOPFTXTBSA-N 454.435 3.152 10 10 JGCE NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1 210722067 DZPMJCGYLSTLRI-SFQUDFHCSA-N 479.580 3.093 10 10 JGCE COc1ccc(N2CCN(CN3C(=O)N[C@@](C)(c4ccc(Br)s4)C3=O)CC2)cc1 727815586 BBXPTRXFPRERKN-FQEVSTJZSA-N 479.400 3.066 10 10 JGCE CCC[C@@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862245091 ZURREWLSFISRQC-JOCHJYFZSA-N 459.974 3.361 10 10 JGCE COc1cc(C=C2SC(=S)N(CC(=O)Nc3ccccc3C(=O)O)C2=O)cc(OC)c1OC 2296881502 KVBVGJYGNKNLLL-UHFFFAOYSA-N 488.543 3.251 10 10 JGCE CCC(=O)NCCc1c(C=C2C(=O)NC(=S)N(c3ccccc3C)C2=O)[nH]c2ccccc12 2297060255 LWVAJCDZVGQSPO-UHFFFAOYSA-N 460.559 3.376 10 10 JGCE Cc1cc(C(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 9250552 WLODELVXNUWNDZ-UHFFFAOYSA-N 465.428 3.169 10 10 JGCE O=C(CN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1cc(C(=O)O)cc(C(=O)O)c1 16922055 UJIYNNBWXSMTTR-NVNXTCNLSA-N 460.464 3.062 10 10 JGCE CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C(=N)N21 96460821 GGEGUVDQDOFFES-ICZFKYGZSA-N 472.504 3.045 10 10 JGCE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(N(C)C)cc2C)C1 1705929261 MSMZNCWORHPCDA-NRFANRHFSA-N 480.638 3.474 10 10 JGCE CN(C)c1ccc([C@H](CNC(=O)c2nn(-c3ccccc3F)c(=O)cc2O)N2CCCCC2)cc1 1866268302 QAGDDKKFOBDSAC-QFIPXVFZSA-N 479.556 3.100 10 10 JGCE CCCc1nc(N2CCC(c3ncncn3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869227677 SYXQTQZSXKEJQS-UHFFFAOYSA-N 474.613 3.333 10 10 JGCE CCOc1cn(CCCCN2CCCC2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870367419 WLLGSCFEVFXREN-UHFFFAOYSA-N 468.642 3.454 10 10 JGCE COCCOC(=O)c1sc(NC=C2C(=O)N(c3ccccc3)N=C2C)c(C(=O)OC)c1C 2296800727 RJXWKRFJRCUNEP-UHFFFAOYSA-N 457.508 3.365 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cc(C)n(-c4ccccc4OC)c3C)C(=N)N21 2297345688 SEOWHKABOJSJKH-UHFFFAOYSA-N 471.564 3.114 10 10 JGCE CC(=O)N1CCCc2cc(S(=O)(=O)Nc3nc(-c4ccc5c(c4)NC(=O)CO5)cs3)ccc21 11857998 SRHXVZGLKXAYPW-UHFFFAOYSA-N 484.559 3.241 10 10 JGCE COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCOCC4)cc3OC)C2=O)cc1 96190229 FGQZJVIXXPFQDQ-FYJGNVAPSA-N 483.546 3.215 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)Cc3ccc(F)c(Br)c3)CC2)cc1 742919067 BTONFERYWGZDHK-UHFFFAOYSA-N 450.352 3.078 10 10 JGCE CC[C@@H](Oc1ccccc1/C=C1/SC(=S)N([C@H](CCSC)C(=O)O)C1=O)C(=O)O 1614236677 GIZIITARQXGKRJ-WYMRFSOBSA-N 455.579 3.336 10 10 JGCE CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3Cc3ccc(N(C)C)c(F)c3)C[C@H]2C)CC1 1741038466 WDSUHYRIEQBQKR-NTKDMRAZSA-N 485.652 3.034 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)CC2)cc1 1861990634 URFMWWPEMCKSOQ-QFIPXVFZSA-N 496.627 3.290 10 10 JGCE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865026930 TWPKJNMWDQRVOB-HSZRJFAPSA-N 483.528 3.340 10 10 JGCE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)N2CCC[C@@H](C)C2)=C(N)O3)cc1 1865033587 DEGRHUUORXGVNW-QVKFZJNVSA-N 490.560 3.460 10 10 JGCE CCCC[C@H](NC(=O)c1cc(-c2cccnc2)on1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868983039 WLFBSYLLZLULQU-QFIPXVFZSA-N 477.565 3.383 10 10 JGCE CCn1cc(OCC(=O)OCc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870617418 MQZNMDICMAMBJW-UHFFFAOYSA-N 491.588 3.321 10 10 JGCE CC(C)(C)OC(=O)N1CCN(C(=O)CCOc2ccc(N)cc2)CCN1C(=O)OC(C)(C)C 2106693591 DKZRCFWJJIOOFC-UHFFFAOYSA-N 464.563 3.269 10 10 JGCE CN1CCc2cc([C@@H](CN)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)ccc21 2194831011 XVNDAUBVSICUNY-OAQYLSRUSA-N 477.650 3.030 10 10 JGCE C[C@H](NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C(C)(C)NC(=O)OC(C)(C)C 2200951824 DSLWCIDLZOJPRT-HOCLYGCPSA-N 481.590 3.342 10 10 JGCE COCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3cccc(C)c3)c3ccccc32)SC1=S 2296539233 IHUISSXLEPSWRR-UHFFFAOYSA-N 467.572 3.198 10 10 JGCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OC(=O)c4ccco4)c(Cl)c3)C(=O)N=C2S1 2297346228 NWRSAYGMVMJGBN-UHFFFAOYSA-N 492.922 3.164 10 10 JGCE O=C(O)c1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1 2314929662 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489.638 3.146 10 10 JGCE Cc1ccc(CN2C(=O)/C(=C\c3c(C)c(C#N)c(=O)n(C)c3N3CCOCC3)SC2=S)cc1 33390517 DZUNWDSJYUTJIF-UDWIEESQSA-N 480.615 3.112 10 10 JGCE Nc1ccc(NC(=O)CCCn2cnc(I)c2I)cc1 312887140 QJHIYFNZJYHLAY-UHFFFAOYSA-N 496.090 3.093 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)Nc3ccc(C(=O)NC(C)C)c(C)c3)CC2)cc1 731281357 BOQIFRUVGSYXLF-UHFFFAOYSA-N 453.587 3.086 10 10 JGCE COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)cc1 747847996 JPEHPDZGESMHLP-UHFFFAOYSA-N 451.551 3.095 10 10 JGCE CCCOc1ccc(/C=C2/SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)cc1OCC 1858592473 PGWXBMRWJNIOGI-KWWJGWKXSA-N 453.538 3.393 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3ccc(Cl)s3)CC2)cc1 1862247817 AXXBWTJKFHIOLD-INIZCTEOSA-N 452.001 3.274 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCC(C)C)[nH]c(=Nc4cc(C)cc(C)c4)[nH]3)CC2)cc1 1871547939 JLUNDZIXLCSYMV-UHFFFAOYSA-N 461.614 3.479 10 10 JGCE O=C(CC[C@H]1NC(=O)N(CCc2ccccc2)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017325 OFBNVSBJXBRRAL-JOCHJYFZSA-N 481.508 3.344 10 10 JGCE CCOc1ccc(Br)cc1C=C1C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O 2297350162 IDXXXXGVJAUWMH-UHFFFAOYSA-N 460.240 3.422 10 10 JGCE Cc1cc(Br)ccc1N1C(=O)C(=Cc2ccc(O[C@@H](C)C(=O)O)cc2)C(=O)NC1=S 2313543560 MKSVUXMEKHXCFZ-LBPRGKRZSA-N 489.347 3.441 10 10 JGCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@H]3C=CC[C@@H]32)cc1OC 14479367 FPVZVSWOERXIMH-RLSLOFABSA-N 469.607 3.466 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C(=N)N21 20206656 OFFJXUXAGBADMU-ATKCCKKESA-N 459.528 3.245 10 10 JGCE CCN1C(=O)/C(=C\c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 33509676 FPCKJCAXIUNSRH-QRYYFKOISA-N 452.561 3.061 10 10 JGCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 727366448 HQXFSPCNSPRIHE-UHFFFAOYSA-N 464.610 3.446 10 10 JGCE Cc1cc(N(CCO)C[C@@H]2CCCO2)ccc1N=Nc1cc(S(C)(=O)=O)ccc1S(C)(=O)=O 1088725835 FXIDTYULKVWEPU-SFHVURJKSA-N 495.623 3.195 10 10 JGCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(C)(C)O)[C@H](C)C1 1722780666 NKTZKRMTFGTBNH-GOSISDBHSA-N 450.587 3.181 10 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Cc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@](Cc1ccc(O)cc1)(C(=O)O)N[C@H]2c1ccc(N(C)C)cc1 33593953 PBEVDKPNWAIWSR-JLMYGFKKSA-N 499.567 3.283 10 10 JGCE C[C@H](c1ccccc1)N1C(=O)/C(=C\c2c(N3CCN(C)CC3)nc3ccccn3c2=O)SC1=S 33935535 VQSOHBCOFWHKJD-PBEQFFAXSA-N 491.642 3.409 10 10 JGCE COc1ccc(/C=C2\SC(=S)N(CCC(=O)N[C@@H](CO)Cc3ccccc3)C2=O)cc1 97575177 RXYGXRRRSVMUQS-WRDGEJPTSA-N 456.589 3.006 10 10 JGCE O=C(O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(CN3CCOCC3)s2)cc1 170548744 GPIILQLIPIIHJC-UHFFFAOYSA-N 459.549 3.141 10 10 JGCE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@H](C(=O)NCc4cccnc4)[C@H]3C2)cc1 245280377 OQGIAXBFQHEMOR-AZGAKELHSA-N 458.562 3.283 10 10 JGCE CC1=NN(c2cccc(S(=O)(=O)O)c2)C(=O)[C@H]1N=Nc1cc(Cl)c(C)cc1S(=O)(=O)O 255971900 FLNFGIKCCOPBMZ-INIZCTEOSA-N 486.915 3.017 10 10 JGCE CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CC1 1254716376 LOFUMUHJBDEPDP-RUZDIDTESA-N 455.647 3.151 10 10 JGCE O=C(C[C@@H]1CCN2C[C@H]1C=CCOc1ccccc1CN(Cc1ccccc1O)CC2=O)NC1CC1 1614976744 XTUSAADJLZQCBE-FCHUYYIVSA-N 489.616 3.476 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864019777 QPDIHGHEETWNAK-SFHVURJKSA-N 454.914 3.330 10 10 JGCE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1865033111 RZUPDGJCJLGITI-QFIPXVFZSA-N 492.576 3.162 10 10 JGCE CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c3cc4c(cc3c2=O)OCCO4)N2CCCCC2)cc1 1866068003 FLNRTCWXBSCLAJ-HSZRJFAPSA-N 476.577 3.322 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCOC(C)C)cn3Cc3cccnc3)CC2)cc1 1870541460 JIGRHWQAJCRDBE-UHFFFAOYSA-N 492.620 3.426 10 10 JGCE CCOCCCN1C(=O)C(NC[C@H]2CCCO2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166448 QHGVFHYTRBAERR-JOCHJYFZSA-N 451.567 3.369 10 10 JGCE COc1cccc(-n2c(C)cc(C=C3C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)c2C)c1 2297352659 KAAAZIWZXMBBAG-UHFFFAOYSA-N 464.551 3.012 10 10 JGCE CS(=O)(=O)C1=NN2C(=N)/C(=C\c3cn(Cc4ccccc4F)c4ccccc34)C(=O)N=C2S1 20207666 FZWOZQNCJLRRQM-QEEMYTIHSA-N 481.534 3.450 10 10 JGCE COc1cc(NC(=O)c2ccccc2I)c(N2CCOCC2)cc1OC 20496462 HRXFHBMWUCEXBT-UHFFFAOYSA-N 468.291 3.397 10 10 JGCE COc1ccc(C2=NN(C(=O)/C=C3/SC(=O)NC3=O)[C@H](c3ccc(N(C)C)cc3)C2)cc1 101453933 AZYPBEQUSWESEJ-XAJRUKRBSA-N 450.520 3.306 10 10 JGCE CCC(=O)N1N=C(c2c(O)[nH]c(=O)n(-c3cccc(Cl)c3)c2=O)C[C@@H]1c1ccc(N(C)C)cc1 101765586 DELDFZKIVBTLER-LJQANCHMSA-N 481.940 3.039 10 10 JGCE CN(C)c1ccc([C@@H]2N[C@](C(=O)O)(c3ccccc3)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]23)cc1 248026708 GYPKHLWJCWHIAJ-HXFQDRMMSA-N 469.541 3.178 10 10 JGCE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864013805 GOBUFOUFOKGILK-OAQYLSRUSA-N 477.565 3.488 10 10 JGCE CC(=O)N1C(=O)C(=C2SC(=S)N([C@@H](C(=O)O)C(C)C)C2=O)c2cc(Br)ccc21 2294850860 KOAJGTMPRSPOJA-CYBMUJFWSA-N 483.365 3.023 10 10 JGCE COc1cc(C=C2C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OS(C)(=O)=O 2296394016 DMMDBLJNKMEJBN-UHFFFAOYSA-N 455.517 3.338 10 10 JGCE CCOc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CCOC)C3=O)c3ccccc32)cc1 2296537588 YWAWMVJOTFBKMX-UHFFFAOYSA-N 497.598 3.288 10 10 JGCE O=C(CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)N1CCN(c2ccccc2)CC1 2296881484 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C[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)C=[N+]=N 642887493 SUWBMPNRMSQAHJ-NSYGIPOTSA-O 499.547 3.226 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)NCCc4ccccc4)n4ccccc34)CC2)cc1 1858224466 XJMWLUFMTRGPQV-UHFFFAOYSA-N 483.572 3.278 10 10 JGCE CC[C@](C)(NC(=O)COc1cccc(C)c1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862192007 GXSIUOOVVZXWJB-SANMLTNESA-N 453.583 3.325 10 10 JGCE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccco1)[C@H]2c1ccc(O)c(O)c1 1864015536 BOZRJROYVCYVFN-IBGZPJMESA-N 458.474 3.102 10 10 JGCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCOC)[C@@H]2c1ccc(O)c(O)c1 1864016451 PIJGPHPPKFMBEW-HXUWFJFHSA-N 478.549 3.219 10 10 JGCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865029796 VMFHPWYIUDRION-NRFANRHFSA-N 460.534 3.063 10 10 JGCE CCOc1ccc(N2C(=O)C(=Cc3[nH]c4ccccc4c3CCNC(C)=O)C(=O)NC2=S)cc1 2297057055 JEPXMSDATGHGAM-UHFFFAOYSA-N 476.558 3.077 10 10 JGCE COC(=O)c1ccc(C=C2SC(=S)N(N[C@H]3OC(=O)c4c3ccc(OC)c4OC)C2=O)cc1 2314600292 YFFXQBAERITQGT-SFHVURJKSA-N 486.527 3.065 10 10 JGCE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccc(OC)c3)C2=O)ccc1OCC(=O)O 16915804 FIMQFZACYQTAMN-VCHYOVAHSA-N 488.543 3.104 10 10 JGCE COc1ccc(OC)c(/C=C2/SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)c1 33767312 KRYIDHBPISMBFP-GZTJUZNOSA-N 450.563 3.107 10 10 JGCE CCn1c(N2C[C@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 39989764 IQCMIAUWENQACQ-QJHUTNDBSA-N 474.652 3.378 10 10 JGCE CN1CCN(c2ccc(/C=C3\C(=O)NN(c4ccc(Cl)c(Cl)c4)C3=O)cc2[N+](=O)[O-])CC1 108750418 NSVCONIWOCPXJD-XNTDXEJSSA-N 476.320 3.115 10 10 JGCE COC(=O)c1ccc(N2NC(=O)/C(=C\c3ccc(OC(=O)c4cccs4)c(OC)c3)C2=O)cc1 206330602 DYWWXTMPBSOIJD-SFQUDFHCSA-N 478.482 3.224 10 10 JGCE [N-]=[N+]=NCCOCCOCCOC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 888086945 YTHKPQSMRZQREU-QFIPXVFZSA-N 484.509 3.338 10 10 JGCE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(Br)c4nccnc4c3)c2)CC1 1529144896 JYCPPOSVUXLNOU-UHFFFAOYSA-N 454.328 3.313 10 10 JGCE CC(=O)N1CCC[C@@H](Cn2c(CC(C)C)nnc2N(C)Cc2ccc(N3CCOCC3)cc2)C1 1596065028 MHCNMIAMCJLIHJ-HSZRJFAPSA-N 468.646 3.208 10 10 JGCE CCCc1nn(C)c2c1[C@@H](c1cccs1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865322818 ONUAJRDVLOHCRV-JOCHJYFZSA-N 493.633 3.486 10 10 JGCE C[C@@H](NC(=O)c1cc(-c2ccncc2)[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867159124 ZNWYIPZJIUXMOP-CQSZACIVSA-N 465.469 3.004 10 10 JGCE CCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc3c[nH]nc3c2)[nH]1 1871702412 ZXMOOPCKKMWRHQ-UHFFFAOYSA-N 487.612 3.273 10 10 JGCE COc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1ccc(C)cc1 2297345944 POLGGFDTSHZTMC-UHFFFAOYSA-N 484.559 3.204 10 10 JGCE COC(=O)c1c(S(=O)(=O)N2CCCCCC2)sc2c1CCN(Cc1ccccc1O)C2 14973568 SQDNSNDSZCDDOG-UHFFFAOYSA-N 464.609 3.363 10 10 JGCE CC(C)CCN1C(=O)/C(=C\c2c(N3CCSCC3)nc3ccccn3c2=O)SC1=S 33608123 SORBOKBNPJQWLB-DTQAZKPQSA-N 460.650 3.495 10 10 JGCE COc1ccc(N2CCN(C(=O)CSc3nccc(N4CCc5ccccc5C4)n3)CC2)cc1 65151481 ILSSVSVTSKDFLN-UHFFFAOYSA-N 475.618 3.489 10 10 JGCE O=C(OCc1ccccc1)N1CCO[C@@H](CNCc2cc(Br)cc(F)c2O)C1 715714163 WHFQMXODQIMEAD-KRWDZBQOSA-N 453.308 3.421 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cc2)CC1 1154271471 PTPQUDNLJACPIS-UHFFFAOYSA-N 450.417 3.212 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)Cc3cc(C(F)(F)F)cc(Cl)n3)cc2)CC1 1625198676 JMPAPOUZRSUIMS-UHFFFAOYSA-N 454.880 3.281 10 10 JGCE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864017976 ZSQADCFICBOYCQ-LHSJRXKWSA-N 478.549 3.464 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3nc(C(C)(C)C)n4ccccc34)CC2)cc1 1868791770 SMMAFKNYFYSDPQ-SFHVURJKSA-N 463.582 3.108 10 10 JGCE COc1ccc(N2CCN(c3nc(=NC(=O)c4cccs4)n(-c4ccc(OC)cc4)[nH]3)CC2)cc1 1869970874 ZDOAIIJAUUCSAQ-UHFFFAOYSA-N 490.589 3.347 10 10 JGCE CCn1cc(OCC(=O)OC2CCCCC2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870574111 AUOXRRJFJYEEEG-UHFFFAOYSA-N 483.609 3.454 10 10 JGCE CCc1nn([C@@H](c2ccc(OC)cc2O)C2(C)CC2)c(I)c1C(N)=O 2079979842 VPNCBTPYPLLEIX-HNNXBMFYSA-N 455.296 3.253 10 10 JGCE C[C@@H](CN(C)C(=O)OC(C)(C)C)N(C)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200974015 YWOZYKBAFVJRCT-RDJZCZTQSA-N 481.590 3.247 10 10 JGCE CC1=NN(c2ccc(I)cc2)C(=O)C1=CNc1ccc(C(=O)O)c(O)c1 2297533289 KNNQFOCNSCEWPF-UHFFFAOYSA-N 463.231 3.414 10 10 JGCE COc1cc(C=C2SC(=S)N(N3CCN(C)CC3)C2=O)ccc1OCC(=O)Nc1ccccc1 2314488185 JYDMTYWSOUEVBJ-UHFFFAOYSA-N 498.630 3.076 10 10 JGCE NC(=O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccccc2OCc2ccccc2Cl)SC1=S 2314541190 GXOMMWUEGPMOFK-HNNXBMFYSA-N 476.963 3.449 10 10 JGCE C[C@@H](C(=O)NCCC(=O)O)N1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S 2314837570 UKKVEXXHTSLTRZ-HNNXBMFYSA-N 470.572 3.446 10 10 JGCE CCN(CCO)C(=O)CCCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 33413765 HRLIMDJGFYDLBS-NTCAYCPXSA-N 457.415 3.271 10 10 JGCE COc1ccc(N2CCN(c3nc(CN4CCOCC4)nc4sc(C)c(C)c34)CC2)cc1 33472328 UTBQAOJTYARDFW-UHFFFAOYSA-N 453.612 3.476 10 10 JGCE CCOc1cc(/C=N/Nc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc23)ccc1O 606671887 CHJBVAXQOZXMLF-RWPZCVJISA-N 498.543 3.186 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1864021538 CMHZWSCGCFTPIX-INIZCTEOSA-N 492.429 3.331 10 10 JGCE CCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CCC)[C@@H]1c1ccc(O)c(O)c1 1864023244 WIIMOWWLDBKOQR-AWEZNQCLSA-N 454.449 3.334 10 10 JGCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1ccc(O)c(O)c1 1865033925 KNGKRCIHIDBMIX-CQSZACIVSA-N 454.449 3.193 10 10 JGCE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 1890564345 ZAARAMXRKXNNOB-ACIOBRDBSA-N 470.639 3.097 10 10 JGCE CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)S2)CC1 2296759601 INCORPDZXUAKIC-UHFFFAOYSA-N 466.519 3.308 10 10 JGCE COc1ccc(CCN2C(=O)NC(=O)C(=Cc3c(C)[nH]c4ccc([N+](=O)[O-])cc34)C2=O)cc1OC 2297362046 SPKYPMCCSZZGCJ-UHFFFAOYSA-N 478.461 3.106 10 10 JGCE COc1cc(C=C2SC(=S)N([C@@H](C)C(=O)Nc3ccc(C(=O)O)cc3)C2=O)ccc1O 2314837077 NVIAZMGNKCQNLJ-NSHDSACASA-N 458.517 3.327 10 10 JGCE COCCN1C(=O)/C(=C\c2c(N3CCC(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 1814248 HHCYEQKWUGUNQX-SFQUDFHCSA-N 458.609 3.087 10 10 JGCE C[C@H](NC(=O)CCN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S)C(=O)O 15038708 LGSYAPOMXGDIJX-CCNLRRDASA-N 470.572 3.446 10 10 JGCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCCc1ccc(O)cc1 20287448 SKHQGPKRJGVYNK-KGENOOAVSA-N 450.520 3.374 10 10 JGCE CCOCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(CCCOC)C1=O 33511131 NMPAPOCTXJBYAP-LGMDPLHJSA-N 476.624 3.079 10 10 JGCE COc1ccc(N2CCN([C@H](CNC(=O)COc3ccccc3OC)c3ccco3)CC2)cc1 56943664 GERHGCLCIVGHQY-JOCHJYFZSA-N 465.550 3.355 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)C(=N)N21 96460325 NMQWRKJCLIKFIP-GESHDMKESA-N 484.559 3.286 10 10 JGCE CCN(CC)C(=O)COc1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1OC 206852113 WXNVEKFXAVDISG-ATVHPVEESA-N 466.581 3.008 10 10 JGCE COc1cc(/C=C2/SC(=S)N(CCC(=O)NCc3ccccc3)C2=O)cc(OC)c1O 210709519 ANQXXXNURLRULN-LDADJPATSA-N 458.561 3.317 10 10 JGCE COC(=O)Cc1sc(NS(=O)(=O)c2ccc(C(=O)OC)cc2C)nc1-c1ccccc1 727251179 SZISPZVRYPBAKA-UHFFFAOYSA-N 460.533 3.421 10 10 JGCE CC(=O)N(C)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)CC1 1508178215 MSZJYFRTQSCNAR-UHFFFAOYSA-N 486.636 3.338 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCCN(C)C)nc(Nc4ccc(Cl)c(C)c4)[nH]3)CC2)cc1 1871665252 OHJRGJTVEWBDIK-UHFFFAOYSA-N 497.047 3.308 10 10 JGCE Cc1nn2c(=O)cc(CSCCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)nc2s1 1874017253 MHSULTKDMHCJPG-UHFFFAOYSA-N 490.566 3.497 10 10 JGCE O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017326 OFBNVSBJXBRRAL-QFIPXVFZSA-N 481.508 3.344 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCc1ccn(Cc2ccccc2)n1 2200957873 GGRYUHUVRJQKJM-FQEVSTJZSA-N 466.538 3.095 10 10 JGCE O=C1Nc2ccccc2C1=C1SC(=S)N(NC(=O)c2ccc(Br)cc2)C1=O 2296880223 XCVAABONCQYFML-UHFFFAOYSA-N 460.334 3.318 10 10 JGCE Cc1cc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)cc3)C2=O)ccc1Br 2313548226 PEUUZDMDNWKZLR-UHFFFAOYSA-N 470.323 3.261 10 10 JGCE COC(=O)CC[C@H]1CN(Cc2ccc(OC)cc2O)CC[C@H]1N1CCN(c2ccccc2OC)CC1 12159559 IHIJCPHGWNUCII-XUZZJYLKSA-N 497.636 3.375 10 10 JGCE O=C1/C(=C\c2c(N3CCOCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 33803766 RTUCOHPIMMSZBE-QGOAFFKASA-N 482.562 3.072 10 10 JGCE NS(=O)(=O)c1ccc(NC(=O)CNc2ccc(Br)cc2C(=O)c2ccccc2)cc1 34988912 WXISGMLEQBTYIH-UHFFFAOYSA-N 488.363 3.378 10 10 JGCE COc1ccc(N2CCN([C@@H](CNC(=O)c3ccccc3[N+](=O)[O-])c3ccco3)CC2)cc1 38598129 KFBCNGWJOVZFLP-QFIPXVFZSA-N 450.495 3.490 10 10 JGCE CCN(CC)c1ccc(CN(C(=O)c2ccccc2OC(C)=O)[C@@H]2CCS(=O)(=O)C2)cc1 54430612 MOWBXYFHRJFLFB-OAQYLSRUSA-N 458.580 3.288 10 10 JGCE Cc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 96459943 RQOFIROYABAMEF-GQZADCKHSA-N 461.956 3.369 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(Br)cnc3Cl)cc2)CC1 1183358887 IMLOHGHNJVQJDS-UHFFFAOYSA-N 451.752 3.096 10 10 JGCE CC(=O)N1CC[C@@H](CN(C)c2nnc(C(C)(C)C)n2Cc2ccc(N3CCSCC3)cc2)C1 1741015198 SQANYZLFSWWWSQ-NRFANRHFSA-N 470.687 3.482 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)N4CCC[C@@H](C)C4)n4ccccc34)CC2)cc1 1858223982 KADSVKDNSBKPBE-LJQANCHMSA-N 461.566 3.177 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3ccc(Br)cc3)CC2)cc1 1862042775 SWSMHEXSUYQDPG-FQEVSTJZSA-N 490.423 3.322 10 10 JGCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCOc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864020754 GRIJEUSDOGXQKR-NRFANRHFSA-N 478.549 3.157 10 10 JGCE CCCN1N=C(c2ccc(OC)cc2)/C(=C\c2ccc(OCCN3CCOCC3)c(OC)c2)C1=O 1865665254 JOWVKWQHNKMLED-PTGBLXJZSA-N 479.577 3.455 10 10 JGCE CSCC[C@@H](NC(=O)c1ccc(Cl)nn1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867272716 PBWKELSLUZPRGC-QGZVFWFLSA-N 494.960 3.396 10 10 JGCE O=C1C(=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c2ccccc2N1Cc1ccc(F)cc1 2296545297 DZJQHJKGXTXINW-HNNXBMFYSA-N 488.587 3.131 10 10 JGCE CCOC(=O)COc1ccc(C=C2C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1OC 2297454068 FTDGAKSKBAZMAE-UHFFFAOYSA-N 468.531 3.085 10 10 JGCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCC(=O)O)C3=O)c(N3C[C@@H](C)C[C@@H](C)C3)nc12 2314400967 SJSXLOZJWJRATR-OKILXGFUSA-N 486.619 3.161 10 10 JGCE C[C@H](Oc1cccc(C=C2SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)c1)C(=O)O 2314926228 DLOZRVAIDILSRH-GUYCJALGSA-N 457.529 3.436 10 10 JGCE CCOc1cc(C=C2SC(=S)N(NC(=O)Cc3ccccc3)C2=O)ccc1O[C@@H](C)C(=O)O 2314934763 JMWNAFZSXQVLLM-AWEZNQCLSA-N 486.571 3.412 10 10 JGCE CCOc1cccc([C@H]2N[C@](CC(C)C)(C(=O)O)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]23)c1O 15240805 OJTGKXVLSPYBII-JJEXOMBSSA-N 466.534 3.106 10 10 JGCE COc1ccc(N2CCN(c3ccc(N4C(=O)[C@@H]5CC=CC[C@H]5C4=O)cc3[N+](=O)[O-])CC2)cc1 20739534 RUHOIMHOFIZDLP-NHCUHLMSSA-N 462.506 3.386 10 10 JGCE CN(C)c1ccc(CN(C(=O)Cc2cc(-c3ccccc3)no2)[C@@H]2CCS(=O)(=O)C2)cc1 40326008 YMAJCALOZXSIGG-OAQYLSRUSA-N 453.564 3.166 10 10 JGCE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C[C@H](O)CN1C(=O)c2ccccc2C1=O 731036428 KMVXRVSVHFAFAX-IBGZPJMESA-N 465.550 3.121 10 10 JGCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 731400584 GJKIAQPPEJTMMF-QFIPXVFZSA-N 473.595 3.140 10 10 JGCE CC(=O)N1CCN(c2cccc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c2)CC1 1476419569 CPTBWGURYXYTBF-QHCPKHFHSA-N 452.555 3.274 10 10 JGCE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCc1n[nH]c(C)n1 1705622256 CFASRDHYSNJXJY-UHFFFAOYSA-N 458.570 3.108 10 10 JGCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3c[nH]c4ccccc34)CC2)cc1 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COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(\C)Nc1cc(OC)c(OC)c(OC)c1 205945429 CREVMGBRCKXFER-HYARGMPZSA-N 469.494 3.373 10 10 JGCE CCN(CC)c1ccc(CN(C[C@@H](O)COc2ccccc2C(C)=O)[C@H]2CCS(=O)(=O)C2)cc1 256037921 JHATZIQLJFQCDC-BJKOFHAPSA-N 488.650 3.164 10 10 JGCE C#CCCCn1c(N2CCN(c3ccc(OC)c(F)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705539590 WFCHTKQOWOCUDH-RUZDIDTESA-N 471.577 3.206 10 10 JGCE CC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(N(C)C)cc2C)[C@H](C)C1 1741045320 FKXQXNMAQNPAJQ-QGZVFWFLSA-N 468.005 3.473 10 10 JGCE COc1ccc(N2CCN(C(=O)CCc3cc4cc(OC)c(Cl)cc4[nH]c3=O)CC2)cc1 1858098928 OHYSKZHUZDRLHS-UHFFFAOYSA-N 455.942 3.480 10 10 JGCE NC1=C(C(=O)NC2CC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3)c2O1 1864016080 ZUGDDHHRMMXUDJ-KRWDZBQOSA-N 486.450 3.335 10 10 JGCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCc1ccc(OC)cc1)[C@@H]2c1ccc(O)c(O)c1 1864020975 JPTPOUASQSHZRB-OAQYLSRUSA-N 478.549 3.286 10 10 JGCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1ccc(O)c(O)c1 1865033924 KNGKRCIHIDBMIX-AWEZNQCLSA-N 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2323744177 DVSYMPRBOQLUNO-UHFFFAOYSA-N 463.806 3.342 10 10 JGCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)Cc3ccc(Cl)cc3)cc2)cc1 1859005251 LINUJUVTEGFMHU-UHFFFAOYSA-N 487.965 3.301 10 10 JGCE CCc1sc(NC(=O)C(=O)NCCOC)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763325 FJTSLCCHXWVZEH-UHFFFAOYSA-N 469.357 3.228 10 10 JGCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865030298 HMXROZKMPDRMID-QEEYODRMSA-N 454.571 3.466 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cn(-c4ccc(N5CCCC5)cc4)c(=O)cc3O)CC2)cc1 1870130845 UBRXIDZFFCQMKL-UHFFFAOYSA-N 474.561 3.114 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccncc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873164240 RXELZVDYFDLXDT-UHFFFAOYSA-N 499.615 3.081 10 10 JGCE CCOc1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)ccc1OCC(=O)N(CC)CC 2314760401 JCQCPXULJPOFKV-UHFFFAOYSA-N 480.608 3.399 10 10 JGCE CCOC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(OC)cc4)CC3)s2)on1 9688969 WXMCYFTUUUNKTM-UHFFFAOYSA-N 477.564 3.099 10 10 JGCE CC(=O)N1CCCN(c2nnc([C@@H]3CCCCO3)n2CCCSc2nccs2)CC1 1690821225 IFJPTLSIPIMSDG-KRWDZBQOSA-N 450.634 3.217 10 10 JGCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3F)cc2)cc1 1858960910 TZMJQDSWYACCNF-UHFFFAOYSA-N 477.901 3.469 10 10 JGCE CC[C@@H](C)[C@@H](CO)NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1860347455 QGUDVNUGAKWEDG-GZAUMTHMSA-N 460.578 3.311 10 10 JGCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864020776 GZPDFVQDSXKKBU-IBGZPJMESA-N 452.511 3.117 10 10 JGCE CN(C)c1ccc([C@H](NC(=O)c2c[nH]c3c(ccc4cccnc43)c2=O)c2nccn2C)cc1 1866433094 FGTCTMRBTCUASH-QFIPXVFZSA-N 452.518 3.395 10 10 JGCE CC[C@@](C)(NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869009295 XJUTYMGUNDSCOE-MUUNZHRXSA-N 492.620 3.197 10 10 JGCE CCCCOCCCn1cc(OCCCO)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870358145 VHPZKMCOXIFRGT-UHFFFAOYSA-N 487.641 3.147 10 10 JGCE COc1ccccc1CN1C(=O)N[C@@H](CCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1=O 1874017551 RNESWGDNXWGOBD-NRFANRHFSA-N 497.507 3.310 10 10 JGCE O=C(C[C@H]1NC(=O)N(CCc2ccc(F)cc2)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017819 XQLQYBRYNCUKON-OAQYLSRUSA-N 485.471 3.093 10 10 JGCE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)S(=O)(=O)CCOc2ccc(N)cc2)C1 2119219133 HTYXTUOPQXSOCQ-UHFFFAOYSA-N 477.583 3.031 10 10 JGCE COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O 2296923436 DYVWYBWTMMFIAG-UHFFFAOYSA-N 499.454 3.297 10 10 JGCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(SCc4ccco4)o3)C(=O)N=C2S1 2297348075 FOUCUCMUTILNFC-UHFFFAOYSA-N 450.523 3.176 10 10 JGCE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1cccc(C(=O)O)c1 2313556164 PHBNFLJQSUVVNH-UHFFFAOYSA-N 473.441 3.187 10 10 JGCE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(OC(=O)[C@@]34CC[C@@](C)(C(=O)C3=O)C4(C)C)cc1)C(=O)C2=O 256019086 KBRVJCOYWVKCLO-WXIAYYLYSA-N 493.556 3.460 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(N4CCCC4=O)ccc3Cl)cc2)CC1 1296400857 ULCYBKBJSOHFSP-UHFFFAOYSA-N 454.958 3.065 10 10 JGCE C=CC(=O)N1CCC(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)(c2ccccc2)CC1 1622578953 LNLKYDGWZVCGRE-UHFFFAOYSA-N 451.542 3.229 10 10 JGCE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864010287 RHIRCXVOGRZYTQ-OAQYLSRUSA-N 461.522 3.130 10 10 JGCE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864018809 RFDWCDYYLHKDKI-HXUWFJFHSA-N 463.538 3.098 10 10 JGCE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1865027507 ILGZVAQUCICREW-QHCPKHFHSA-N 492.576 3.216 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(F)cc4)cn3CCCO)CC2)cc1 1870624513 DNWJGEGKGSMCPD-UHFFFAOYSA-N 481.568 3.280 10 10 JGCE CCCCCOc1cn(CCN(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870679080 WYEDXCTUNLFBTJ-UHFFFAOYSA-N 456.631 3.310 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCOC(C)C)C(=O)N(CCN(C)C)C2=O)cc1 1873165294 GOCALXFNWAHRCN-UHFFFAOYSA-N 452.599 3.140 10 10 JGCE COc1ccc(-c2ccc(C=C3SC(=S)N([C@H](CCC(=O)O)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1 2053513630 SFPAANQKBZDLSG-CYBMUJFWSA-N 492.487 3.383 10 10 JGCE CC(C)(C)OC(=O)N1CCc2c(N3CCN(C(=O)OC(C)(C)C)[C@H](CCO)C3)ccc(N)c2C1 2162987682 MRWGAFDLINQBIZ-QGZVFWFLSA-N 476.618 3.370 10 10 JGCE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)CC1 11085587 GDAGTGGTOIHNRA-UHFFFAOYSA-N 484.622 3.459 10 10 JGCE CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)N2CCOCC2)cc1C 17822188 HFRBXPDBGFOZNM-XSFVSMFZSA-N 474.970 3.388 10 10 JGCE O=C1[C@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@H](c1ccc(F)cc1)OC21C(=O)c2ccccc2C1=O 104896108 XNJSGUASGXONHK-NJYVYQBISA-N 486.411 3.429 10 10 JGCE COc1ccc(N2CCN(CN3C(=O)N[C@@](C)(c4ccc(C(F)(F)F)cc4)C3=O)CC2)cc1 917413334 BNBPJKTWWSAFPG-QFIPXVFZSA-N 462.472 3.261 10 10 JGCE CC[C@H](Oc1ccc(/C=C2/SC(=S)N([C@H](CCSC)C(=O)O)C2=O)cc1)C(=O)O 1614236670 FNITYGMILTXBII-OPBFZPCWSA-N 455.579 3.336 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3c(Cl)ccc(Cl)c3OC)CC2)cc1 1861968269 NPLUOEBBGUTMSL-AWEZNQCLSA-N 466.365 3.478 10 10 JGCE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864010458 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LIFQEMWGPSQWLQ-MRXNPFEDSA-N 471.585 3.243 10 10 JGCE C[C@@H](C(=O)NCCCC(=O)O)N1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2314837410 RZXCSLKEGUDONB-JTQLQIEISA-N 457.371 3.020 10 10 JGCE CC[C@@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)c1)C(=O)O 2314926620 NQLXGNNBBFIDOH-MRXNPFEDSA-N 458.517 3.180 10 10 JGCE CCOc1cc(/C=C2\SC(=S)N(CCCCCC(=O)N[C@H](C)C(=O)O)C2=O)ccc1O 15044971 AONUDOWYHBPQJR-KAECEXQPSA-N 466.581 3.142 10 10 JGCE CCN(CC)c1ccc(CN(C[C@H]2CCCO2)C(=O)NC(C)C)c(OS(=O)(=O)CC)c1 37424519 DGJKQYITESLUPF-HXUWFJFHSA-N 455.621 3.360 10 10 JGCE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccc(C(C)=O)cc3)c3ccco3)CC2)cc1 38619239 QMKVNAKEMGZCLP-DEOSSOPVSA-N 483.590 3.333 10 10 JGCE CCN(CC)c1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)cc1F 97554495 YGUSAOLFFXNMTO-UHFFFAOYSA-N 476.618 3.452 10 10 JGCE COCCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccc(OC)cc3)C[C@@H]12 169679216 UMHRFNBXMQIODM-IRLDBZIGSA-N 463.500 3.344 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)/C=C/c3ccco3)CC2)cc1 1862272451 CYXFLVDFIRKJER-AKNQKSQZSA-N 459.546 3.378 10 10 JGCE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864009547 ALCKQDMETIGFSR-ZUOKHONESA-N 498.967 3.081 10 10 JGCE COc1ccc(N2CCN(C(=O)COc3cccc4c3C(=O)N(Cc3ccccc3)C4=O)CC2)cc1 1865845816 ORVVZRVXUIGJMS-UHFFFAOYSA-N 485.540 3.219 10 10 JGCE COc1cc(C(=O)C[C@@H]2Cc3cc(O)c(O)cc3O[C@@H]2c2cc(O)c(O)c(O)c2)cc(O)c1O 2080120762 JLZBFUGUPYQVAQ-MCFWBGNESA-N 470.430 3.200 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCc1nccn1Cc1ccccc1 2200966823 KBWMFZQVRQGCCB-IBGZPJMESA-N 466.538 3.095 10 10 JGCE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)c(Br)cc1O 2293205605 VPCVTIWFOIYRQX-UHFFFAOYSA-N 477.336 3.393 10 10 JGCE COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc(OC)c1O 15038041 GVDKZWYFKVAQJW-BOPFTXTBSA-N 488.543 3.338 10 10 JGCE Cc1ccccc1/C=C1\SC(=S)N(CC(=O)Nc2cc(C(=O)O)ccc2C(=O)O)C1=O 16921582 NGOWNIISTDDIOH-SXGWCWSVSA-N 456.501 3.231 10 10 JGCE CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864011421 HHZGBHVMUHFKFE-QHCPKHFHSA-N 492.576 3.197 10 10 JGCE CC[C@@H](NC(=O)c1cc(-c2ccncc2)[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867162792 VZUDSJBWJRDVLE-LJQANCHMSA-N 479.496 3.394 10 10 JGCE CCOCCCN1C(=O)C(=Cc2c(NCCCOC)nc3c(C)cccn3c2=O)SC1=S 2040498504 LQOROACUAWYGOM-UHFFFAOYSA-N 476.624 3.079 10 10 JGCE Cc1ccc(OCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)cc1C 2297345028 JCLMXLMDONVZAN-UHFFFAOYSA-N 498.586 3.383 10 10 JGCE COc1cc(C=C2SC(=S)N([C@H](C(=O)O)[C@@H](C)O)C2=O)ccc1OCc1ccccc1 2323823544 QDRLFHLUEUCQQZ-YJYMSZOUSA-N 459.545 3.309 10 10 JGCE COC(=O)c1sc(NC(=O)CCN2C(=O)/C(=C\c3ccc(OC)cc3)SC2=S)nc1C 12621480 IUXLDDQEYZKKTA-GXDHUFHOSA-N 477.589 3.477 10 10 JGCE COCCN(Cc1ccc2c(c1)CCCN2C)S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O 21113644 OQUOZLILLPMFFD-UHFFFAOYSA-N 471.623 3.205 10 10 JGCE COc1ccc(N2CCN(c3ncnc(NCCc4ccc(OC)c(OC)c4)c3[N+](=O)[O-])CC2)cc1 40583656 XHOKTJYVIBESQV-UHFFFAOYSA-N 494.552 3.392 10 10 JGCE COC(=O)c1c(C)sc(-c2c(-c3cccc(Cl)c3)[nH]c3c2c(=O)n(C)c(=O)n3C)c1O 46009308 CQWGDWDMGLTGLW-UHFFFAOYSA-N 459.911 3.415 10 10 JGCE CC(C)OCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(C[C@H]2CCCO2)C1=O 97475169 PEFBJVWAZCSACE-APVMCDBPSA-N 488.635 3.302 10 10 JGCE CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/c1c(O)[nH]c(=O)n(-c2cccc(Cl)c2)c1=O 103255508 SHHVCQWTSVQGGI-GZTJUZNOSA-N 450.882 3.308 10 10 JGCE Cc1c(C)c(S(=O)(=O)NC(=N)NCCC[C@H](N=[N+]=[N-])C(=O)O)c(C)c2c1OC(C)(C)CC2 103619779 DBISUALVKKDISS-HNNXBMFYSA-N 466.564 3.062 10 10 JGCE CCc1nn2c(=O)cc(COc3ccc(/C=C4\C(=N)N5C=C(C)SC5=NC4=O)cc3)nc2s1 104709502 BSFKXDCAGGKQOD-FQYHFWRWSA-N 478.559 3.459 10 10 JGCE CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCC(=O)NC(C)C)CC1 1540962045 ICLOUZQLCUQGEZ-UHFFFAOYSA-N 491.640 3.326 10 10 JGCE Cc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)c1 1859003941 YOCLNHZCBBLWHQ-UHFFFAOYSA-N 453.520 3.027 10 10 JGCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2cccnc2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008430 KDLCGPZCWHMZLJ-HSZRJFAPSA-N 483.528 3.306 10 10 JGCE CC[C@H](NC(=O)c1n[nH]c2c1CCCC2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866853696 QGKHEXUBJUAUME-SFHVURJKSA-N 456.502 3.211 10 10 JGCE CC[C@](C)(NC(=O)CCCc1ccc2c(c1)OCCO2)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868729152 ZRRGXVIOFRSZIG-NDEPHWFRSA-N 495.620 3.423 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3cc(-c4ccc(C)c(C)c4)n(C)n3)CC2)cc1 1868752377 MKCFZFSAQWCAGA-FQEVSTJZSA-N 475.593 3.180 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NC(C)C)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 1873166889 JXJLSHNYSCIMEJ-UHFFFAOYSA-N 492.601 3.020 10 10 JGCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCC(=O)O)C3=O)c(N3C[C@@H](C)C[C@H](C)C3)nc12 2314400966 SJSXLOZJWJRATR-KBPBESRZSA-N 486.619 3.161 10 10 JGCE CCOC(=O)c1ccc(NC(=O)COc2ccc(C=C3SC(=S)NC3=O)cc2OC)cc1 2314836023 YILVZWNMARQAFI-UHFFFAOYSA-N 472.544 3.378 10 10 JGCE COc1cc(C=C2SC(=S)N([C@@H](C)C(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc(OC)c1O 2314837154 OYOHOACLVOARSY-NSHDSACASA-N 488.543 3.336 10 10 JGCE CN(C)c1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3nnc(C(=O)Nc4ccccc4)s3)C2)cc1 33263464 XZEFONLTQCCVSY-GOSISDBHSA-N 492.605 3.025 10 10 JGCE COc1ccccc1/C=C1/SC(=S)N(CCC(=O)Nc2ccc(O)c(C(=O)O)c2)C1=O 35638625 OMVNBXVFPFRQJB-LICLKQGHSA-N 458.517 3.329 10 10 JGCE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC2)cc1 1517370472 JCMGLQYLTXAJOG-KRWDZBQOSA-N 457.596 3.233 10 10 JGCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@](C)(O)C(C)C)CC1 1540978140 SDEZIWGBYWSJNK-AREMUKBSSA-N 464.614 3.428 10 10 JGCE CC(=O)N(C)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCSc2nccs2)CC1 1760575575 HDMOYZCFQPEURF-KRWDZBQOSA-N 464.661 3.258 10 10 JGCE O=C(CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1859466379 VGMBIYNGFTYSQY-UHFFFAOYSA-N 483.436 3.385 10 10 JGCE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864008773 RUPDGKWBIMWYOM-QHCPKHFHSA-N 483.528 3.057 10 10 JGCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2 1865029146 HFVBYRGATKQXTF-JOCHJYFZSA-N 490.560 3.098 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCc4cccnc4)[nH]c(=Nc4ccccc4C)[nH]3)CC2)cc1 1871482993 QYLNENSVMWWISY-UHFFFAOYSA-N 482.592 3.110 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCC(=O)OCc4ccccc4)cc3)CC2)cc1 1872716236 RDFGPZBIGLDGAR-UHFFFAOYSA-N 496.585 3.328 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cn4c5c(c(F)c(F)cc5c3=O)OC[C@@H]4C)CC2)cc1 1891060574 DMEXPVDSSDKOIH-AWEZNQCLSA-N 455.461 3.204 10 10 JGCE O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNC1CCN(Cc2ccccc2)CC1 2296139212 ZWUDSLYDPLCVST-UHFFFAOYSA-N 472.467 3.426 10 10 JGCE CN(C)c1ccc(C=C2C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)cc1Br 2297469093 BBDNVPOTWFUZKZ-UHFFFAOYSA-N 489.399 3.147 10 10 JGCE COc1cc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2C)ccc1OCCN1CCOCC1 2332105171 FAQJGAABASMCFY-UHFFFAOYSA-N 453.514 3.347 10 10 JGCE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccccc3F)c3ccco3)CC2)cc1 38598277 UKRRWRYVVDJEJE-NRFANRHFSA-N 459.543 3.269 10 10 JGCE N=C1/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12 103594556 OVUQIDAFGVOOGD-CXJFQJJYSA-N 489.557 3.134 10 10 JGCE C[C@H](Oc1ccccc1/C=C1/SC(=S)N([C@H](Cc2ccccc2)C(=O)O)C1=O)C(=O)O 1614234143 DJFYIMHVZQHGDD-KLFQZFQVSA-N 457.529 3.436 10 10 JGCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4ccc(OC)cc4OC)cn3)CC2)cc1 1858431708 YHINAKUJHSKWKO-UHFFFAOYSA-N 484.578 3.235 10 10 JGCE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)Nc1nc(-c2ccc3nc(O)[nH]c3c2)cs1 1859573335 GHJPVPDCYYQXJA-UHFFFAOYSA-N 485.547 3.328 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)Cc3ccccc3)CC2)cc1 1861959535 PBTOXDIZHOHDCS-SANMLTNESA-N 475.564 3.453 10 10 JGCE CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861984333 RELAVGBJNTZWNY-ATIYNZHBSA-N 496.627 3.290 10 10 JGCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2 1864014430 VBKCNZXENUHJMC-NRFANRHFSA-N 478.549 3.286 10 10 JGCE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864017157 HARDQMDZODKNKW-QFIPXVFZSA-N 492.576 3.390 10 10 JGCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCc1ccc(F)cc1)[C@@H]2c1ccc(O)c(O)c1 1864021499 OVPGPTBXWBCHJI-OAQYLSRUSA-N 480.540 3.459 10 10 JGCE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2CCC[C@@H](C)C2)=C(N)O3)cc1 1865033588 DEGRHUUORXGVNW-VFNWGFHPSA-N 490.560 3.460 10 10 JGCE CC[C@@H](NC(=O)Cc1ccc2c(c1)OCCO2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866608891 SJNBMVAGAGSJOM-HXUWFJFHSA-N 484.508 3.309 10 10 JGCE O=C1C(=Cc2c(NCCCO)nc3ccccn3c2=O)SC(=S)N1CCCc1ccccc1 2040499260 WBDKMRPRLDOAJP-UHFFFAOYSA-N 480.615 3.323 10 10 JGCE CC(C)(C)OC(=O)N(CCCC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O)Cc1ccccc1 2180595999 INCPELOPVQRKDN-IBGZPJMESA-N 472.538 3.427 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCc5ccccc54)c3)CC2)cc1 3374758 UPFBONCHYSYNGO-UHFFFAOYSA-N 477.586 3.409 10 10 JGCE C[C@H](NC(=O)[C@H](C)N1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S)C(=O)O 15048525 XDMFUPAGPGSVJT-UMAUMKHOSA-N 470.572 3.445 10 10 JGCE COC(=O)c1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1 15245830 PMIOCEXLEFIUTL-UHFFFAOYSA-N 482.486 3.353 10 10 JGCE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccc(F)cc3F)c3ccco3)CC2)cc1 38619231 WFFOZAMOGPKGRN-NRFANRHFSA-N 477.533 3.408 10 10 JGCE COc1ccc(N2CCN(c3cc(SCC(=O)Nc4ccc5c(c4)OCO5)ncn3)CC2)cc1 49006813 RZTNMBXKVKKROX-UHFFFAOYSA-N 479.562 3.271 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cccc(N4C(=O)[C@H]5[C@H](C)C=CC[C@H]5C4=O)c3)CC2)cc1 169303596 DCYGWQNHRGODJF-QFWMQHCXSA-N 459.546 3.359 10 10 JGCE COc1ccc(N2CCN(C(=O)Cn3nc(-c4cccc5ccccc45)ccc3=O)CC2)cc1 585173632 DODBJSYCMTUSKI-UHFFFAOYSA-N 454.530 3.421 10 10 JGCE CC(=O)N1CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C(C)(C)C1 1520714670 VBKNFTQRJOTONK-VBKFSLOCSA-N 451.639 3.199 10 10 JGCE CCCC[C@@H](NC(=O)c1ccc(OC)cc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861933258 XHJGRATXZJIKKZ-HSZRJFAPSA-N 469.582 3.350 10 10 JGCE CCCC[C@H](NC(=O)c1cccc(OC(C)=O)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862117397 KVKVHGNRNKNNJO-DEOSSOPVSA-N 467.566 3.258 10 10 JGCE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864010095 PDESTHBACYJEFS-OAQYLSRUSA-N 466.513 3.409 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3Br)CC2)cc1 1866304318 FSPSFPVVUNXLAQ-UHFFFAOYSA-N 465.344 3.446 10 10 JGCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OCC(=O)O)C2=O)cc1 2294124626 JMYCAFSTHBQMFW-UHFFFAOYSA-N 473.279 3.141 10 10 JGCE CCCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc5c(c4)OCO5)n3)cc21 11857698 UNGXZELLTISQDU-UHFFFAOYSA-N 473.532 3.475 10 10 JGCE Cc1ccc(C)c(OCCOc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c1 20207723 HJESXDOAAZXNQB-HORDIMCOSA-N 498.586 3.383 10 10 JGCE Cc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c1C 103600892 AILWXIMIXIZXFG-YJFMCDHMSA-N 490.589 3.271 10 10 JGCE Cc1nc2c(cc(OCC(=O)NCc3ccc(N4CCNC(=O)C4)cc3)c3ccsc32)s1 106317573 MIBTUSOPYYQTTJ-UHFFFAOYSA-N 466.588 3.451 10 10 JGCE Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccc(O[C@H](C)C(=O)O)cc2)C(=O)NC1=S 1084551042 MKSVUXMEKHXCFZ-YUSFRKCESA-N 489.347 3.441 10 10 JGCE CCCNC(=O)COc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858862520 HRBHFKJVASJRPR-UHFFFAOYSA-N 458.474 3.406 10 10 JGCE CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4C)cs2)cc1 1859573518 SRVZIEPLPCYRSO-UHFFFAOYSA-N 456.549 3.478 10 10 JGCE CCCC[C@@H](NC(=O)COc1ccccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862269066 KCRPICJZCGLVRT-JOCHJYFZSA-N 469.582 3.106 10 10 JGCE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864013206 SMCWHDINPGRFHO-JOCHJYFZSA-N 498.543 3.037 10 10 JGCE CCN1C(=O)C(=Cc2cc(C)n(C[C@H]3CCCO3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297509100 VUXBPMFJSVGRAJ-OAQYLSRUSA-N 499.633 3.212 10 10 JGCE Cc1cc(C=C2C(=O)NC(=S)N(Cc3ccco3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 2297625045 LMAZNNYNIZOFOJ-UHFFFAOYSA-N 450.476 3.422 10 10 JGCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(F)cc3)C2=O)ccc1OCC(=O)O 2314931279 DIQKFHFVJIKJNR-UHFFFAOYSA-N 476.507 3.234 10 10 JGCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@@H]3C=CC[C@@H]32)ccc1O 14459098 HREIMUWMVARQNM-IMWIBFENSA-N 455.580 3.163 10 10 JGCE CCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N([C@H](C)CC)C2=O)c(C)c(C#N)c1=O 39989943 LQXGIMJRVLTEPF-IIMQCXAKSA-N 460.625 3.275 10 10 JGCE CC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@](C(=O)O)(c2ccccc2)N[C@H]3c2ccc(N(C)C)cc2)cc1 102438574 YFOFGEYUENUKHA-APSVEGKFSA-N 497.551 3.385 10 10 JGCE Cc1cc(CCNC(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)c(C)n1-c1ccccc1 729230652 OTVQFVYCBRVWSY-UHFFFAOYSA-N 474.609 3.233 10 10 JGCE CC(=O)N1CC[C@@H](CN(C)c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCC(CO)CC3)cc2)C1 1508193108 IBKNLXOLTBAXAF-DEOSSOPVSA-N 496.700 3.428 10 10 JGCE CCOC(=O)c1c(NC(=O)C(=O)NCC(OC)OC)sc(C)c1-c1ccc(Br)cc1 1860757959 CZVLBVYAUBOAIT-UHFFFAOYSA-N 499.383 3.336 10 10 JGCE C[C@@H](C(=O)OCc1ccccc1)N1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860826517 FRUOIBHVANGKCQ-SXZOAGKDSA-N 496.566 3.211 10 10 JGCE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864012444 ZYSWIZBXXOTCEJ-FQEVSTJZSA-N 452.486 3.009 10 10 JGCE CCc1nn(C)c2c1[C@H](c1cccs1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865331300 WTAREALCGMCKSQ-NRFANRHFSA-N 479.606 3.096 10 10 JGCE CC(C)[C@@H](C(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)cc1 1866969347 PJAUQILADYUGBI-DHIUTWEWSA-N 488.515 3.457 10 10 JGCE CC(=Cc1ccccc1)C=C1SC(=S)N([C@@H]2CC(=O)N(CCCCC(=O)O)C2=O)C1=O 2314833806 WSMQFINTUBUHAW-MRXNPFEDSA-N 458.561 3.217 10 10 JGCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3OC)C2=O)ccc1O[C@H](C)C(=O)O 2314934450 ZWPWDYYKONHEQG-GFCCVEGCSA-N 488.543 3.102 10 10 JGCE CCOc1ccc(-n2c(C)cc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2C)cc1 96460139 ZGAJTIGIGWBWOY-WBIXSPHCSA-N 471.564 3.114 10 10 JGCE CC(=O)NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(O)c(O)c2)cc1 526139172 KRKUEQMTUAOAOH-FQEVSTJZSA-N 486.527 3.041 10 10 JGCE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCc2cc(Cl)ccc2O)cc1 1639966358 ZWWOZKMPFAKQQV-LJQANCHMSA-N 450.944 3.108 10 10 JGCE COc1ccc(N2CCN(C(=O)c3ccc(N4CCN(C(=O)C(C)(C)C)CC4)cc3)CC2)cc1 1858116880 ZCLYBCVMRDBIDL-UHFFFAOYSA-N 464.610 3.352 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)CCCOc3ccccc3)CC2)cc1 1862221606 PPBUBKZKMVWBHB-DEOSSOPVSA-N 485.650 3.441 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 1862298355 LCRDTDAADDFUFL-UHFFFAOYSA-N 460.918 3.114 10 10 JGCE CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(O)c(O)c1 1864008286 HLXDFEOKFRXIDK-GOSISDBHSA-N 485.338 3.185 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3snc4ccccc34)C(C)C)CC2)cc1 1869051694 DPZLTTKCTJYMEA-NRFANRHFSA-N 452.580 3.408 10 10 JGCE CCCN1C(=O)C(=Cc2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 2296053659 XZLHBKLWNJUWMF-QGZVFWFLSA-N 466.588 3.451 10 10 JGCE CCc1nnc(NC(=O)CCN2C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)SC2=S)s1 2296754837 GRGHLUXCXYPPJM-UHFFFAOYSA-N 494.620 3.356 10 10 JGCE COc1ccc(N2CCN(C(=O)C3=C[C@H]4CS(=O)(=O)c5ccccc5[C@@H]4S3)CC2)cc1 2297672763 JIFSCAIWCCQTRF-KSFYIVLOSA-N 456.589 3.119 10 10 JGCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OC)C(=O)O 2314931339 FKWZWRVMJPMTAD-OAHLLOKOSA-N 472.544 3.483 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)C=Cc3ccco3)CC2)cc1 2331429198 CYXFLVDFIRKJER-RUZDIDTESA-N 459.546 3.378 10 10 JGCE CCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc5c(c4)OCO5)n3)cc21 11857697 FMRNTTIRIWIVNM-UHFFFAOYSA-N 459.505 3.085 10 10 JGCE CCOc1c(Br)cc(/C=C2\SC(=S)N(CCN3CCOCC3)C2=O)cc1OC 12897910 ZNINZIVFCSOKDZ-VBKFSLOCSA-N 487.441 3.390 10 10 JGCE CCOC(=O)CSc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1[N+](=O)[O-] 20664050 BRQYMMKSSLQIEQ-UHFFFAOYSA-N 459.524 3.221 10 10 JGCE O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 25580952 TTWRZZPAKUKQGA-LWLPBDFMSA-N 450.519 3.243 10 10 JGCE O=C(NN1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S)c1ccccc1Br 33323157 BVCKOCVNWRECTD-RIYZIHGNSA-N 451.323 3.407 10 10 JGCE CCN(CC)C(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OC 206883458 IUYJURCWJAJSRS-ZHZULCJRSA-N 499.614 3.489 10 10 JGCE Cc1csc([C@@H](C)NC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)n1 727842187 QEQDLVDWUMZXRS-MRXNPFEDSA-N 455.563 3.268 10 10 JGCE CC(=O)N(C)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCC(CO)CC3)cc2)CC1 1301630497 GJAVWTWIWXSLKW-UHFFFAOYSA-N 482.673 3.280 10 10 JGCE CCn1nc(C)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccc(OC)c(OC)c1)[C@@H]2c1ccc(O)c(O)c1 1864009631 JBIGIBZUSFFQSO-MCMMXHMISA-N 494.548 3.212 10 10 JGCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2 1864013797 GGWFERIKAKUPGG-OAQYLSRUSA-N 485.629 3.055 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)CCc3ccco3)CC2)cc1 1868588017 CILLOQUSRKSNRQ-VWLOTQADSA-N 461.562 3.297 10 10 JGCE Cn1nc(CNCc2ccc(Br)cc2O)c(I)c1Cl 2117756432 PDJYSPFZJQNOLB-UHFFFAOYSA-N 456.509 3.436 10 10 JGCE CC(C)(C)OC(=O)NCC1(NC(=O)c2cccc(O)c2O)CCN(Cc2ccccc2)CC1 2130840156 MZZRYUJJHUOMHD-UHFFFAOYSA-N 455.555 3.387 10 10 JGCE CC(C)(C)OC(=O)NCCCN(CCO)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 2266418372 SQERDAVWQVWUPK-UHFFFAOYSA-N 464.607 3.276 10 10 JGCE CC[C@@H](Oc1cccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)c1)C(=O)O 2314930697 HXZHTSUYTCNHLE-MRXNPFEDSA-N 478.573 3.023 10 10 JGCE COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C1=O 33728609 RVJXAJSAYXLVMK-QYXYIQQCSA-N 495.626 3.094 10 10 JGCE C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2c(NCCO)nc3ccccn3c2=O)SC1=S 33933497 QEIUOMASCCBLGX-DLRWLJPMSA-N 452.561 3.061 10 10 JGCE CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCCOc4ccccc4)cc3)C(=N)N21 96459836 POKSIKODBUKODV-LEBISVFGSA-N 484.559 3.156 10 10 JGCE CN(C)c1ccc([C@@H]2N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]32)cc1 102473672 BUOYHMCJXVIIDO-KYALDGGBSA-N 488.588 3.344 10 10 JGCE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C)o3)n2Cc2ccc(N(C)C)c(F)c2)C1 1359357841 OGHSKJOTYQBWDQ-IBGZPJMESA-N 454.550 3.405 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)Cc3ccccc3F)CC2)cc1 1862248867 JYHWTBCHYVSXPQ-AREMUKBSSA-N 491.563 3.159 10 10 JGCE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864012342 XZOMTKAEJYSBQJ-JOCHJYFZSA-N 490.491 3.394 10 10 JGCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCCO)cn3Cc3ccccc3F)CC2)cc1 1870362041 GMIZPPPIOKYSNL-UHFFFAOYSA-N 481.568 3.128 10 10 JGCE Cc1nc(I)c(I)n1CCC(=O)Nc1ccc(N)cc1 2145242976 VXTIRJKRTQFXFP-UHFFFAOYSA-N 496.090 3.012 10 10 JGCE COc1ccccc1N1C(=O)/C(=C2/C(=O)N(CN3CCOCC3)c3ccccc32)SC1=S 35045521 KDSLSEQTGJMPJO-VXPUYCOJSA-N 467.572 3.108 10 10 JGCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 40939886 BSPYUKCNBOCYKD-XMHGGMMESA-N 469.588 3.480 10 10 JGCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3c(Cl)ccc(C)c3Cl)cc2)CC1 1189191365 BGLHLJSLISHZNX-UHFFFAOYSA-N 456.395 3.449 10 10 JGCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)N4CCCCCC4)c4ccccn34)CC2)cc1 1858224400 UPXSGUPQWPLAHU-UHFFFAOYSA-N 461.566 3.322 10 10 JGCE Cc1ccc(/C=C/C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)cc1 1859007073 BQVAVBNWVYFNMK-OVCLIPMQSA-N 479.558 3.427 10 10 JGCE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccccn1 1865376377 QNWNLSLMCBCZJM-QHCPKHFHSA-N 488.592 3.049 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)C(C)C)CC2)cc1 1868825434 QMTHMEHOROWKGH-WXFUMESZSA-N 453.558 3.427 10 10 JGCE O=C1C(=Cc2c(N3CCSCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 2296761511 YKVDGZLMWHCICL-UHFFFAOYSA-N 470.601 3.242 10 10 JGCE CCCc1nnc(NC(=O)COc2ccc(C=C3SC(=S)N(C)C3=O)cc2OC)s1 2314488740 NJFVOYWSYJKMPM-UHFFFAOYSA-N 464.594 3.348 10 10 JGCE Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c1C 20356693 XXQRUJKGGWFVIU-KKVJOTPGSA-N 493.549 3.220 10 10 JGCE O=C1/C(=C\c2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 21486964 RZPBQUOEBDUIJS-QGOAFFKASA-N 492.586 3.388 10 10 JGCE COc1ccc(CCS(=O)(=O)NC[C@@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1 38619399 ACLNPPFRLQFPQF-VWLOTQADSA-N 499.633 3.322 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)n3nc(-c4ccc(F)cc4)ccc3=O)CC2)cc1 44393981 UCHZDAWPEAOEON-UHFFFAOYSA-N 450.514 3.142 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)NCc3cccc(OCc4ccccn4)c3)CC2)cc1 742939312 DFQRADBHEODOSB-UHFFFAOYSA-N 475.593 3.291 10 10 JGCE CC(=O)c1cc(F)cc(CN2CCCC[C@H]2CNC(=O)CCNC(=O)OC(C)(C)C)c1O 1617427927 APOJRXZKYLSPLO-SFHVURJKSA-N 451.539 3.119 10 10 JGCE CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCC(CO)CC3)cc2)[C@H](C)C1 1705994648 QGUDPBGCRJFTTQ-HXUWFJFHSA-N 482.673 3.181 10 10 JGCE CCCC[C@H](NC(=O)c1ccc(=O)n(CC(C)C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861988738 CTRMTZQCUCSWDU-DEOSSOPVSA-N 482.625 3.150 10 10 JGCE CCn1nc(C)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccc(OC)c(OC)c1)[C@H]2c1ccc(O)c(O)c1 1864009630 JBIGIBZUSFFQSO-DMZKTXOQSA-N 494.548 3.212 10 10 JGCE COc1ccc(N2CCN(C(=O)CCCCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)cc1 1866341209 DCTYGPVYQQNUDL-UHFFFAOYSA-N 480.521 3.109 10 10 JGCE COc1ccc(N2C(=O)C(=Cc3cc(OC)c(O)cc3Br)C(=O)NC2=S)cc1 2293631607 WEOWMECZEZDZSW-UHFFFAOYSA-N 463.309 3.003 10 10 JGCE COC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1C=Cc1ccccc1 2296846214 MEEHRTVMIGIUEV-NRFANRHFSA-N 459.571 3.139 10 10 JGCE CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@H](C)O4)cs2)cc1 11857873 JFTXJARNCNALQQ-NSHDSACASA-N 458.521 3.289 10 10 JGCE COCCCN1C(=O)/C(=C/c2cc3ccccc3nc2N2CCC(C(N)=O)CC2)SC1=S 40562664 QVCDFKHYXMDHBG-RGEXLXHISA-N 470.620 3.174 10 10 JGCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccc(N2CCOCC2)c(Br)c1 104798791 ZBBMMIXXTCBLAN-VBKFSLOCSA-N 489.301 3.004 10 10 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CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CC[C@@H]1OCc1ccccc1 2136266876 WVOKCDBEZMCXLL-DXIQSLLYSA-N 456.539 3.398 10 10 JGCE CCOC(=O)COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br 2294094867 BAXRXKXIKZADQF-UHFFFAOYSA-N 491.269 3.197 10 10 JGCE NC(=O)Cn1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21 2297342266 SQCLDDMZZPGKJR-UHFFFAOYSA-N 473.341 3.265 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccc(F)cc4)cc3)C(=N)N21 20206810 SSXSKWMSOGQIBM-VOVIPDMASA-N 486.506 3.056 10 10 JGCE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccccc3OC)c3ccco3)CC2)cc1 38598287 UDYDEZOQXKFQRH-NRFANRHFSA-N 471.579 3.139 10 10 JGCE COc1ccc(N2CCN([C@H](CNC(=O)COc3ccc(F)cc3)c3ccco3)CC2)cc1 56943616 AJSBHILKCDPBOF-HSZRJFAPSA-N 453.514 3.486 10 10 JGCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1 727490645 RCWLTBUUGNYRSU-LJQANCHMSA-N 463.943 3.005 10 10 JGCE COc1cc(OC)c([N+](=O)[O-])cc1/C=C1\C(=O)NC(=O)N(c2cccc(Br)c2)C1=O 1083933331 SBZIRSQXNQPXOC-AWNIVKPZSA-N 476.239 3.041 10 10 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COCCN1C(=O)C(=CNC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)C(=O)NC1=S 2042447204 VZCIRQHGKUHDTA-KRWDZBQOSA-N 482.993 3.316 10 10 JGCE C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200962045 GOSOIUYAFHQZBO-OIISXLGYSA-N 479.574 3.048 10 10 JGCE CCOCCCN1C(=O)C(=Cc2c(N3CCCC3)nc3c(C)cccn3c2=O)SC1=S 2296724095 LUMVWZCTQOSSRX-UHFFFAOYSA-N 458.609 3.231 10 10 JGCE Cc1ccc(NC(=O)COc2ccccc2C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 2313556733 JVGKZVSFDRZWAJ-UHFFFAOYSA-N 499.479 3.408 10 10 JGCE CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc(-c4ccc5c(c4)NC(=O)CO5)c(C)s3)ccc21 11857977 YNHIHRNGPJQPJK-UHFFFAOYSA-N 484.559 3.159 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)CN(Cc3cccnc3)c3ccccc3)cc2)CC1 1296400634 SRTLFRALWYWNRQ-UHFFFAOYSA-N 457.578 3.073 10 10 JGCE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1705805804 OQFJZKHYYKMKSB-HXUWFJFHSA-N 473.643 3.262 10 10 JGCE CC[C@H](C)[C@@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)N1C(=O)c2cccc(OC)c2C1=O 1865851064 YDOXNXPKGKRFEB-SBUREZEXSA-N 465.550 3.063 10 10 JGCE COc1ccc(N2CCN(C(=O)COC(=O)C=Cc3c(C)nn(-c4ccccc4)c3C)CC2)cc1 2040429369 ZCMDQQVKFUYEGO-UHFFFAOYSA-N 474.561 3.403 10 10 JGCE Cc1cccc(N2C(=O)NC(=O)C(=CNc3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)c1 2313548092 LKICUGXCFVUVAS-UHFFFAOYSA-N 460.450 3.285 10 10 JGCE COc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc(OC)c1O 15047249 OYOHOACLVOARSY-VBYYMIJXSA-N 488.543 3.336 10 10 JGCE CCCCN1C(=O)/C(=C\c2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC1=S 33915459 FGKXGNPRZSNWIB-SAPNQHFASA-N 468.608 3.395 10 10 JGCE CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C\c3ccc(O)cc3O)SC2=S)cc1 210675932 PBHFZSLVXNWZJP-RQZCQDPDSA-N 458.517 3.114 10 10 JGCE CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cs1 920396869 BHNZFOWCRMXHBE-UHFFFAOYSA-N 452.414 3.280 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])cc2)CC1 1154270689 BLHWPFVPRCNLBL-UHFFFAOYSA-N 450.417 3.212 10 10 JGCE CCCC[C@H](NC(=O)c1c(OC)cccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862124607 WIKRPWCGZHSASF-NRFANRHFSA-N 469.582 3.350 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc(-n4cccc4)cc3)CC2)cc1 1862265089 DMHVKRBDXBILOW-VWLOTQADSA-N 458.562 3.439 10 10 JGCE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864010197 JUNLBNKJVMTPPQ-OAQYLSRUSA-N 476.533 3.218 10 10 JGCE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2 1864019738 PWQKLUNFDMDFSI-GOSISDBHSA-N 454.914 3.058 10 10 JGCE COc1ccc(S(=O)(=O)CCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1OC 1868167605 QSGFEXKEVPIQNU-UHFFFAOYSA-N 479.510 3.282 10 10 JGCE CCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc3c(c2)OCO3)[nH]1 1871536883 LYUNELYZHGVDLA-UHFFFAOYSA-N 491.596 3.125 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCC(C)C)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873167068 QPHDOFGSHQKVQL-UHFFFAOYSA-N 464.610 3.142 10 10 JGCE COc1ccccc1CN1C[C@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1=O 1874180857 VIRJHTNUBFLIJX-QGZVFWFLSA-N 454.482 3.458 10 10 JGCE COc1ccc(C=C2SC(=S)N(CC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1OC 2296885422 UFAJHNCHRWPGMK-UHFFFAOYSA-N 458.517 3.242 10 10 JGCE COC(=O)c1ccc(-c2ccc(C=C3SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C3=O)o2)cc1 2314650623 ROIMMXLXSAFYLR-AWEZNQCLSA-N 475.500 3.252 10 10 JGCE COc1cc(C=C2SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)ccc1OCc1ccccc1 2323831361 AMPIPSFAKZKLGX-OAHLLOKOSA-N 473.528 3.403 10 10 JGCE COC(=O)c1cccc(CN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)c1 2326944723 DYOKJNGLOCUDQU-UHFFFAOYSA-N 482.539 3.066 10 10 JGCE COc1cc(/C=C2/C(=O)NC(=O)N([C@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc(OC)c1O 38175732 OUQWOMZFCLJOGG-VESRFHCQSA-N 454.523 3.476 10 10 JGCE COc1ccc(N2CCN(S(=O)(=O)c3c[nH]c(-c4nnc(-c5ccccc5)o4)c3)CC2)cc1 46914342 CELVCPQWYSVOHW-UHFFFAOYSA-N 465.535 3.251 10 10 JGCE CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2CCCSc2nccs2)[C@@H](C)C1 1705996181 PGHJCVOEESQOAL-AWEZNQCLSA-N 477.685 3.330 10 10 JGCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2 1864007541 PEUWGIVTHHMKFT-LAUBAEHRSA-N 496.951 3.235 10 10 JGCE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864008380 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CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2 1864013967 KABCTEHAZSCQFV-OAQYLSRUSA-N 492.532 3.006 10 10 JGCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(OC)cc1)=C(N)O2 1864014108 NMZHOGJIRCQWFH-JOCHJYFZSA-N 492.576 3.329 10 10 JGCE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc5cc(Cl)ccc5n4)n(C)[nH]3)CC2)cc1 1869969570 QORFXIJMKUXEIG-UHFFFAOYSA-N 477.956 3.026 10 10 JGCE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN(C)C)C1=O 1873170016 LLHNBDBYFWJZRW-UHFFFAOYSA-N 452.599 3.142 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cc4c(NCCCCN5CCCC5)ncnc4n3C)CC2)cc1 1875199294 VAHOSZBGCMKQMD-UHFFFAOYSA-N 491.640 3.227 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cc4c(=O)n5ccccc5nc4n3Cc3ccco3)CC2)cc1 1875238934 KUINAZWSVLKPGX-UHFFFAOYSA-N 483.528 3.262 10 10 JGCE CCOc1cc(C=C2C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)ccc1O[C@H](C)C(=O)O 2294204781 AHDPRHTVVRYTSC-OAHLLOKOSA-N 468.531 3.385 10 10 JGCE CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)N(C)C)cc1 2297453346 HNWFRBUQKZFSOW-UHFFFAOYSA-N 463.357 3.418 10 10 JGCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@H]3C=CC[C@H]32)cc1OC 14479369 FPVZVSWOERXIMH-DFIYOIEZSA-N 469.607 3.466 10 10 JGCE CCOc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)C2=O)cc1 33930507 TXEYHEQHEMYQAF-UYRXBGFRSA-N 481.486 3.499 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCCN(c4ncccc4C(F)(F)F)C3)cc2)CC1 857494484 PEXUBKSPHTUTDL-HXUWFJFHSA-N 489.542 3.302 10 10 JGCE CCc1sc(NC(=O)C(=O)NCCCC(=O)O)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763259 BFEAXYXZOWIRCT-UHFFFAOYSA-N 497.367 3.446 10 10 JGCE CC[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862042600 OVHDHRCKOMUKIH-FQEVSTJZSA-N 460.372 3.315 10 10 JGCE CCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864017583 PIECREXJCVEGJQ-OAQYLSRUSA-N 478.549 3.083 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)Cc3csc(COc4ccccc4)n3)CC2)cc1 1868593462 UCGQYCYLZDJLRK-IBGZPJMESA-N 494.617 3.127 10 10 JGCE CCC[C@H](NC(=O)Cc1ccc2nc(O)c(C)cc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868809766 RVTQVFCYBJWKCN-VWLOTQADSA-N 490.604 3.434 10 10 JGCE CCCNC(=O)COc1cn(CCC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870680287 AJWJABNOKDASQA-UHFFFAOYSA-N 484.641 3.130 10 10 JGCE Cc1ccc(N2C(=O)NC(=O)C(=CNc3cccc4c3C(=O)c3ccccc3C4=O)C2=O)cc1 2297100789 LHPIFSYEGPEYMZ-UHFFFAOYSA-N 451.438 3.349 10 10 JGCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)N2CCCCC2)cc1 2297512629 YQDWCYATUCWXJI-UHFFFAOYSA-N 488.953 3.093 10 10 JGCE COc1cc(C=C2SC(=S)N([C@H](C)C(=O)NCc3ccccc3)C2=O)cc(OC)c1O 2314836558 GRRQZNBDHVDSAH-CYBMUJFWSA-N 458.561 3.316 10 10 JGCE COc1cc(C=C2SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)cc([N+](=O)[O-])c1O 2323866063 MXPYJVOLIORAOQ-AWEZNQCLSA-N 460.489 3.206 10 10 JGCE COCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccccc2)C1=O 33432423 ZFCOQXPILWGZOH-GHRIWEEISA-N 452.561 3.154 10 10 JGCE O=c1c2cc(I)ccc2nc(/C=C\c2ccccc2[N+](=O)[O-])n1CCO 33477668 WRPQDUOLXPDYII-YVMONPNESA-N 463.231 3.072 10 10 JGCE COc1cccc(C2=NN(C3=NC(=O)[C@@H](CC(=O)O)S3)[C@@H](c3ccc(N(C)C)cc3)C2)c1 72413208 SUKSZGZGBKGSJT-WOJBJXKFSA-N 452.536 3.385 10 10 JGCE C[C@H]1CCCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)C1 238950196 WYWFLJVRAQFHEZ-JKSUJKDBSA-N 470.620 3.311 10 10 JGCE C[C@H](NC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1)C(=O)O 586691179 DFLKVWACLSRVPL-ZDUSSCGKSA-N 457.442 3.309 10 10 JGCE CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCCCO3)n2Cc2ccc(N(C)C)c(F)c2)C1 1690791099 VMACNKSOWJQMJG-KNQAVFIVSA-N 458.582 3.078 10 10 JGCE Cc1ccc(C)c(OCC(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)c1 1859004711 JYJYPIJELYDGNA-UHFFFAOYSA-N 497.573 3.101 10 10 JGCE CC[C@](C)(NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861957023 WQHMFDFKKFJEOE-UJZCAVEWSA-N 466.538 3.250 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)COc3ccc(Cl)cc3Cl)CC2)cc1 1862202235 GISWZJLWCUBTGT-HNNXBMFYSA-N 466.365 3.234 10 10 JGCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3ccccn3)CC2)n1 1867958024 NVIYCPVOAWNIOF-UHFFFAOYSA-N 459.598 3.096 10 10 JGCE CN(C)c1ccc([C@@H](CNC(=O)CN2C(=O)COc3ccc(Cl)cc32)N2CCCCC2)cc1 1868050766 BKXUNTUBRSTGES-JOCHJYFZSA-N 471.001 3.475 10 10 JGCE CCCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868793890 UNLVVAUNAZBERP-BWKNWUBXSA-N 492.620 3.072 10 10 JGCE CCOc1ccc(-n2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(O)cc2=O)cc1OCC 1870130488 NJGPOXCPMCFGFK-UHFFFAOYSA-N 493.560 3.312 10 10 JGCE CO[C@H](c1ccc(O)c(O)c1O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952364894 KWLGPFMBRPHJFR-NFBKMPQASA-N 465.458 3.483 10 10 JGCE O=C(O)c1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)o2)ccc1Cl 2938757 YXYXBMWEDFBFGN-LICLKQGHSA-N 476.894 3.193 10 10 JGCE COc1ccccc1OCCn1cccc1/C=C1\C(=N)N2N=C(N3CCCC3)SC2=NC1=O 20356377 QTFWRIXNVIOUQC-QPNOLLSHSA-N 464.551 3.248 10 10 JGCE COC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)o2)cc1 33393123 HBVNUBMFAUSHFA-AYCSXLNKSA-N 463.558 3.122 10 10 JGCE COc1ccc(N2CCN(CCCNC(=O)c3ccn4c(-c5ccc(F)cc5)nnc4c3)CC2)cc1 65296312 OHOVIZDBZXCBDR-UHFFFAOYSA-N 488.567 3.486 10 10 JGCE CC1CCN(c2ccc(CNC(=O)C[C@H]3CCOC4(CCN(S(C)(=O)=O)CC4)C3)cc2)CC1 575541009 CLBANICKFIEKLA-JOCHJYFZSA-N 477.671 3.150 10 10 JGCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(NC(=O)N2CCNCC2)c1 586676213 VGQKOTGBZYXZDJ-UHFFFAOYSA-N 454.486 3.151 10 10 JGCE CC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(N(C)C)cc2C)[C@@H](C)C1 1741045319 FKXQXNMAQNPAJQ-KRWDZBQOSA-N 468.005 3.473 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)/C=C/c3ccc(F)cc3)CC2)cc1 1861953232 OKGLCAWXIFXBKV-PBCPJNDBSA-N 455.555 3.098 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)COc3ccc(C)c(C)c3)CC2)cc1 1862194490 SXPHOFWDAQYYIS-DEOSSOPVSA-N 451.567 3.031 10 10 JGCE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1865033110 RZUPDGJCJLGITI-JOCHJYFZSA-N 492.576 3.162 10 10 JGCE CCN(CC)c1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCCOC 1873556148 MFOCGKSITHTMOH-UHFFFAOYSA-N 480.613 3.285 10 10 JGCE CNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCc2ccc(OC)cc2)C1=O 2040498148 DENNJOQANNSOCY-UHFFFAOYSA-N 452.561 3.189 10 10 JGCE CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200964850 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1862150721 XVNSLJAUTSEPHR-LTBVCIIGSA-N 481.593 3.359 10 10 JGCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864011182 REOXJYOAHOIBOM-FQEVSTJZSA-N 452.555 3.485 10 10 JGCE COc1ccc(N2CCN(C(=O)c3c[nH]c4c(F)cc(Br)cc4c3=O)CC2)cc1 1866441488 DKUQGAAZACCOLL-UHFFFAOYSA-N 460.303 3.401 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873167790 XQCJDOOALGEOOU-UHFFFAOYSA-N 486.620 3.145 10 10 JGCE COc1ccc(N2CCN(C(=O)c3cc4c(N5C[C@H](C)C[C@@H](C)C5)ncnc4n3C)CC2)cc1 1873543314 KWECJAPGOAWWHT-RTBURBONSA-N 462.598 3.422 10 10 JGCE COc1ccccc1CNC(=O)c1cc(OC(C)=O)c2c(c1)C(=O)c1cccc(OC(C)=O)c1C2=O 1873898487 GOOFZTXFCBSXRP-UHFFFAOYSA-N 487.464 3.251 10 10 JGCE CC(C)(C)OC(=O)NCC1(NC(=O)c2ccc(O)c(O)c2)CCN(Cc2ccccc2)CC1 2130844261 ZZLJCHWULPSMKE-UHFFFAOYSA-N 455.555 3.387 10 10 JGCE CCN(CC)c1ccc(NC=C2C(=O)NC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 2296185227 OJHILKUYMXFAKZ-UHFFFAOYSA-N 466.538 3.167 10 10 JGCE CCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I 2313558258 WRWDQMMIBDMGCT-UHFFFAOYSA-N 480.233 3.495 10 10 JGCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cc(C)n(-c4cc(C)ccc4OC)c3C)C(=N)N21 20206947 CLMMOUWJGYVRPT-GJXXPDGXSA-N 485.591 3.423 10 10 JGCE CN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc2c(c1)OCO2)C(=O)c1cccc(F)c1 35962830 UBNFQUSASYYJTL-OAQYLSRUSA-N 462.481 3.343 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)cc2)CC1 1138230504 VIISXFDRUYBUET-NHCUHLMSSA-N 458.603 3.055 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)C3(C(=O)OC(C)(C)C)C(C)(C)C3(C)C)cc2)CC1 1556199458 MLKJTTBQMCTRCT-UHFFFAOYSA-N 457.615 3.365 10 10 JGCE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@H](C(=O)OC)C1 1705895404 FXGGIZIDRCACIP-FQEVSTJZSA-N 476.581 3.044 10 10 JGCE Cc1ccc(C)c(CNC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3C)[C@@H]2c2ccc(O)c(O)c2)c1 1864015164 KVVWZHVWVXQOAP-KRWDZBQOSA-N 488.466 3.478 10 10 JGCE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C(F)(F)F)c1)=C(N)O2 1864019756 QEQRQFPKJXHXEM-GOSISDBHSA-N 488.466 3.424 10 10 JGCE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCc1ccccc1)=C(N)O2 1864020014 UGPBBIGWZYAXCU-NRFANRHFSA-N 462.550 3.227 10 10 JGCE CCc1sc(NC(=O)[C@@H](N)CCCNC(=N)N)c(C(=O)OC)c1-c1ccc(Br)cc1 1866115435 HPZDYWUQPWEQRD-ZDUSSCGKSA-N 496.431 3.056 10 10 JGCE Cc1nc(C(C)C)c(C(=O)N[C@@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1 1867157628 WRLCIBMFRSDYPE-SFHVURJKSA-N 477.542 3.080 10 10 JGCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)[C@H](Cc3ccccn3)c3ccccc3)CC2)cc1 1868659736 QYJVYYQNQHAGDK-QFQXNSOFSA-N 472.589 3.270 10 10 JGCE COc1ccc(N2CCN(c3nc(=NCc4cccnc4)[nH]c(=Nc4cccc(C)c4C)[nH]3)CC2)cc1 1871591754 WFPDVIJKIKFHDZ-UHFFFAOYSA-N 496.619 3.418 10 10 JGCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3nc4ccccc4[nH]3)C(=O)N(CCN(C)C)C2=O)cc1 1873169614 ROGCWQNCXSZGHQ-UHFFFAOYSA-N 496.615 3.444 10 10 JGCE CCCCn1c(C(=O)NC[C@H]2CCCO2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873580162 HQYFCJXFUVZQMR-JOCHJYFZSA-N 492.624 3.475 10 10 JGCE COc1ccccc1N1C(=O)/C(=C2\C(=O)N(CN3CCOCC3)c3ccccc32)SC1=S 35045519 KDSLSEQTGJMPJO-FMQUCBEESA-N 467.572 3.108 10 10 JGCE CCCN1C(=O)/C(=C/NNc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)C(O)=NC1=S 38183896 XUJLMYSZLGIFSE-QGOAFFKASA-N 458.565 3.122 10 10 JGCE COc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1 96459364 YQOGBNBFTBQUOH-VRENQZFPSA-N 488.572 3.403 10 10 JGCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)cc2)CC1 1638587964 VIISXFDRUYBUET-LEWJYISDSA-N 458.603 3.055 10 10 JGCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCCc1c[nH]c3ccccc13)[C@H]2c1ccc(O)c(O)c1 1864009415 HADVBLSJHWQUER-QFIPXVFZSA-N 473.533 3.157 10 10 JGCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC(O)CC1)[C@H]2c1ccc(O)c(O)c1 1865031338 FCRWJAAORRUAQA-NRFANRHFSA-N 490.560 3.049 10 10 JGCE COc1ccc(N2C[C@@H](C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)CC2=O)cc1 1866041097 WTCOHMNIEXJFCK-OFVILXPXSA-N 464.610 3.458 10 10 JGCE CCC[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868608377 JYCQASPYQFUSTK-DEOSSOPVSA-N 478.593 3.069 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3cc(C)n(-c4cccc(C)c4)n3)CC2)cc1 1868761895 DARXOHDALUKIOM-UHFFFAOYSA-N 475.593 3.355 10 10 JGCE CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)N2CCOCC2)cc1C 2294284798 YOIAKYAISRRMLQ-UHFFFAOYSA-N 454.552 3.043 10 10 JGCE CCN(CC)C(=O)Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 2313631676 WBEIAAQVRJJLHL-UHFFFAOYSA-N 458.518 3.172 10 10 JGCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccoc3)c(=O)n2[C@H]1c1ccc(N(CC)CC)cc1 254821113 DUMKCFDBAZZOLG-QFIPXVFZSA-N 465.575 3.238 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)NCc3cc(Cl)c4c(c3)OCCCO4)CC2)cc1 742939242 BVMXQNKWXSBECU-UHFFFAOYSA-N 474.989 3.131 10 10 JGCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3ccccc3Cl)cc2)cc1 1858956674 MEEMRCMNIIEGMV-UHFFFAOYSA-N 459.911 3.330 10 10 JGCE CCn1nc(C)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccc(OC)cc1)[C@H]2c1ccc(O)c(O)c1 1864010996 XVTZCYYZHZQSGC-ZSEKCTLFSA-N 464.522 3.203 10 10 JGCE CO[C@H](c1ccc(O)c(O)c1O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952364895 KWLGPFMBRPHJFR-NZQKXSOJSA-N 465.458 3.483 10 10 JGCE CO[C@@H](c1cc(O)nc(O)c1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 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466.581 3.143 10 10 JGCE CCc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@](C(=O)O)(c2ccccc2)N[C@H]3c2ccccc2O)cc1 252000694 MIHAVJOAOLIYNR-NBCVKUGOSA-N 456.498 3.385 10 10 JGCE N=[N+]=CC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 642887438 DQBSMKYUAMEYBZ-BJKOFHAPSA-O 471.537 3.131 10 10 JGCE COc1ccc(N2CCN(CCNC(=O)CCc3c(C)nc4c5ccccc5nn4c3C)CC2)cc1 742920249 HWYWOHFLSOPSCO-UHFFFAOYSA-N 486.620 3.379 10 10 JGCE CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2CNC(=O)CCNC(=O)OC(C)(C)C)c1O 1617427925 APOJRXZKYLSPLO-GOSISDBHSA-N 451.539 3.119 10 10 JGCE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2 1864010359 LLMDEYNJSGHAOO-HXUWFJFHSA-N 498.967 3.083 10 10 JGCE CC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866872013 XKZKAEFMBMTYCC-HTAPYJJXSA-N 495.535 3.348 10 10 JGCE CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)N2CCCCC2)cc1 1867897590 FYUCQSHRMJWEHK-QFIPXVFZSA-N 487.988 3.387 10 10 JGCE 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10 10 JGCE CC(=O)N1CC[C@@H](CN(C)c2nnc(Cn3nc(C)cc3C)n2CCCSc2nccs2)C1 1286850722 REQXWLFHSWWFPI-IBGZPJMESA-N 488.687 3.083 10 10 JGCE CSCC[C@H](CO)NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1616044614 IGBYCKURUBYFFJ-WXTAPIANSA-N 492.645 3.409 10 10 JGCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2C[C@H](C)O[C@@H](C)C2)[C@H]3c2ccc(O)c(O)c2)cc1 1865027072 FMZLAPFPSCULRL-KXNSMUHISA-N 490.560 3.231 10 10 JGCE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865027620 ZXBZDOXUJLYLBN-NRFANRHFSA-N 461.522 3.084 10 10 JGCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)Cc3cc(-c4ccccc4)on3)CC2)cc1 1868807597 XWYNKCZETJTHLN-UHFFFAOYSA-N 462.550 3.136 10 10 JGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 2200953248 NLSKYHHCNVODQK-RTWAWAEBSA-N 469.582 3.314 10 10 JGCE