smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)(C)C(=O)/C(C#N)=C\c1ccc(N2CCCCCC2)cc1 71795528 SOESVNIBIBHVCY-VKAVYKQESA-N 310.441 4.589 50 40 DJGB CCCCCCC(=O)NN=C1CCC(c2ccccc2)CC1 6041501 QGCACZLRQQIHRM-UHFFFAOYSA-N 300.446 4.787 50 40 DJGB COc1cc(C)c(/C=C(/C#N)c2ccc(Cl)cc2)cc1OC 408548070 CSRHOMRHGRMJJH-DHDCSXOGSA-N 313.784 4.730 50 40 DJGB Cc1cc2nc(/C(C#N)=C/c3ccccc3Cl)[nH]c2cc1C 76536408 JUCOCKWSUFWLIG-NTEUORMPSA-N 307.784 4.897 50 40 DJGB N#C/C(=C/c1ccc2ncccc2c1)c1nc2ccccc2s1 33586304 BCVQZRJOHNVLSY-PTNGSMBKSA-N 313.385 4.909 50 40 DJGB ClCCCCN(CC#Cc1ccccc1)Cc1ccccc1 67319270 MZWYMRRNHXWUHQ-UHFFFAOYSA-N 311.856 4.559 50 40 DJGB CCCCCCC[C@H]1C[C@H](C(C)(C)C)CC/C1=N\NC(N)=O 101674445 YYPBCCCEEDGGDL-CGJDATGVSA-N 309.498 4.834 50 40 DJGB C[C@H]1CCCc2c1cc(C(=O)CBr)c1ccccc21 4768991 AQENQBUMAWAFBZ-NSHDSACASA-N 317.226 4.857 50 40 DJGB CC[C@H](Oc1ccc(C(C)(C)c2ccccc2)cc1)C(=O)Cl 40451391 NNUGMPOMICYXKQ-KRWDZBQOSA-N 316.828 4.935 50 40 DJGB FC(F)(F)c1ccc(CCBr)c(C(F)(F)F)c1 199539667 WAIXOYWTUCQNDH-UHFFFAOYSA-N 321.058 4.662 50 40 DJGB CCCOc1cccc(/C=C(\C#N)c2ccc(OC)c(OC)c2)c1 408581142 GPPFFYDKZKWAMN-GZTJUZNOSA-N 323.392 4.557 50 40 DJGB Cc1ccc(-n2cccc2/C=C(/C#N)c2cccc(F)c2)cc1 409391733 JQMCIAWRUKEYHB-LGMDPLHJSA-N 302.352 4.989 50 40 DJGB ClCCN(CCCl)Cn1c2ccccc2c2ccccc21 1691573 HNFNFZFQNLYOQS-UHFFFAOYSA-N 321.251 4.532 50 40 DJGB CC(C)(c1ccccc1)c1ccc(OCCBr)cc1 72227031 WYHLXVNJAWRSQN-UHFFFAOYSA-N 319.242 4.786 50 40 DJGB CCc1ccc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1 13140867 UTLDNZOKJFPZRY-SFQUDFHCSA-N 314.388 4.829 50 40 DJGB N#C/C(=C\Nc1cc(Cl)ccc1O)c1ccc(Cl)cc1 100001560 KCCBMAKBNRIVLF-PKNBQFBNSA-N 305.164 4.676 50 40 DJGB Cc1csc(/C(C#N)=C\c2ccc(N3CCCCC3)cc2)n1 96843865 ZBGYEUUBMDZESM-WJDWOHSUSA-N 309.438 4.506 50 40 DJGB ClCCN(CCCl)c1ccc(/C=N/c2ccccc2)cc1 1605000 GKWSPFDZEWAJEP-XSFVSMFZSA-N 321.251 4.721 50 40 DJGB NP(F)(F)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 97983535 SLZGJRVIXXDOGA-UHFFFAOYSA-N 321.733 4.838 50 40 DJGB Cc1ccc(C)c([C@H](C)CCN(CCCl)CCCl)c1 98048263 GLEBNTDNPKTGIA-OAHLLOKOSA-N 302.289 4.577 50 40 DJGB CC(C)(CCl)C(=O)c1cccc(OCc2cccc(F)c2)c1 575357289 CPNJADKGPIASHO-UHFFFAOYSA-N 320.791 4.852 50 40 DJGB CC(C)C/C(=N\NC(=O)c1cccc(Cl)c1)c1ccccc1 5906567 YQRLJUYJXUQRAP-LVZFUZTISA-N 314.816 4.520 50 40 DJGB CCN(CC)c1ccc(/C=C(\C#N)c2cccc(F)c2)c(OC)c1 1058597 FUSDMZBDHQVJJB-GZTJUZNOSA-N 324.399 4.745 50 40 DJGB BrCCc1ccc(CCCc2ccccc2)cc1 1670086 CFJZTOYUWDPGGW-UHFFFAOYSA-N 303.243 4.799 50 40 DJGB N#C/C(=C/c1ccc(-c2ccccc2C#N)o1)c1cccc(C#N)c1 6473591 JZVIIIDMKSXVTJ-WQRHYEAKSA-N 321.339 4.754 50 40 DJGB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=C\C#N 118924544 WFCZGXIUCMFHSX-WLJXBXSASA-N 311.469 4.760 50 40 DJGB c1ccc2oc(SSc3nc4ccccc4o3)nc2c1 1680929 BXHXGRWITCQYFW-UHFFFAOYSA-N 300.364 4.768 50 40 DJGB CCCCCOc1ccc(C2C(C#N)=C(C)NC(C)=C2C#N)cc1 25427079 NKRZQNZDJHUJPF-UHFFFAOYSA-N 321.424 4.538 50 40 DJGB CCCCCCCCC(=O)N/N=C(\C)c1ccc(C)cc1C 8457065 XEEGLHDDDMQXNP-LVZFUZTISA-N 302.462 4.894 50 40 DJGB Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc(C(C)C)cc2)c1 33285683 CNLCUSKKNUKEQE-UNOMPAQXSA-N 318.420 4.973 50 40 DJGB CCN(CC)c1ccc2c(c1)[C@H](Br)c1ccccc1-2 4823760 SKVYSRRWDVWOSD-QGZVFWFLSA-N 316.242 4.998 50 40 DJGB CC(=O)Nc1ccc(/C=C(\C#N)c2cccc3ccccc23)cc1 5064641 DESHSWQZYNMTHY-QGOAFFKASA-N 312.372 4.862 50 40 DJGB COc1cc(/C=C/C#N)cc(Cl)c1OCc1ccccc1F 33535825 GFYSDMZNDHEFNF-SNAWJCMRSA-N 317.747 4.603 50 40 DJGB COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1C 408544224 UGHAEWWBGHBXHK-CXUHLZMHSA-N 317.392 4.561 50 40 DJGB O=C(CCCCBr)c1ccc(F)c2ccccc12 575357654 VKSJZJRLDABXIJ-UHFFFAOYSA-N 309.178 4.727 50 40 DJGB CC1(C)OB(C=CCCO[Si](C)(C)C(C)(C)C)OC1(C)C 1857775647 ODTSJDLTXNDTBB-UHFFFAOYSA-N 312.335 4.586 50 40 DJGB Cc1cc(N(CC2CCCCCCC2)C(=O)CCl)ccc1O 199757533 HJKRIXIBPPSBLR-UHFFFAOYSA-N 323.864 4.633 50 40 DJGB O=C(CCCCCl)c1ccc(Br)cc1Cl 308810921 QEMKNMAYGMGWKH-UHFFFAOYSA-N 310.018 4.694 50 40 DJGB N#C/C(=C/c1ccc(Cl)c(Cl)c1)c1ccc(C(=O)O)cc1 408542392 JACUNNQVFCSBOZ-QPEQYQDCSA-N 318.159 4.756 50 40 DJGB N#C/C(=C\c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 70405 ZDUYHHZWYOKEHC-KPKJPENVSA-N 319.147 4.966 50 40 DJGB O=C(Cl)/C=C/c1ccc(OCc2ccccc2)c(Cl)c1 218722376 AZEYQSGFGJKLKA-VQHVLOKHSA-N 307.176 4.698 50 40 DJGB ClC[C@@H](Cl)CN(Cc1ccccc1)Cc1ccccc1 95811154 BMNAFIWAJIHBJH-QGZVFWFLSA-N 308.252 4.535 50 40 DJGB CCN(CC)c1ccc(/C=C(/C#N)c2ccc(Cl)cc2)o1 408810652 JNQQVLQHNDFQCD-KAMYIIQDSA-N 300.789 4.843 50 40 DJGB N#C/C(=C/c1cccn1-c1ccccc1F)c1ccccc1F 34704813 IQHZWCYZVSHQOK-OWBHPGMISA-N 306.315 4.820 50 40 DJGB CC[C@H](C)Oc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1 409374649 VSMHRQRZYGSQEB-QXPQOBGOSA-N 317.392 4.804 50 40 DJGB N#C/C(=C\c1ccnc2ccccc12)c1nc2ccccc2s1 11615980 XSCNZDSXNPWAFY-SDNWHVSQSA-N 313.385 4.909 50 40 DJGB BrCc1ccc(-c2cnc(-c3ccccc3)o2)cc1 495060 QBZWFSZJMZNCQF-UHFFFAOYSA-N 314.182 4.904 50 40 DJGB CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)C[C@@H](O)C1 22061186 QPRQNCDEPWLQRO-IRVDFSNZSA-N 300.442 4.688 50 40 DJGB in-vitro C/C(CC(C)C)=N\NC(=O)Nc1ccc(Cl)c(Cl)c1 5208287 PKTIUUHACZXOIV-RQZCQDPDSA-N 302.205 4.537 50 40 DJGB COc1ccc(OC)c(/C=C(/C#N)c2ccc3ccccc3c2)c1 6145611 LULFWJMFUZSKKA-UNOMPAQXSA-N 315.372 4.921 50 40 DJGB CCC1CCC(=NNC(=O)CSc2ccc(Cl)cc2)CC1 5296993 SHLOMRMQAKJQHI-UHFFFAOYSA-N 324.877 4.505 50 40 DJGB CC(/C=N/NC(=O)c1ccc(C(C)(C)C)cc1)=C\c1ccccc1 13953811 YCYXSHRAHRCSFQ-SNRRJUOISA-N 320.436 4.803 50 40 DJGB COc1ccc(/C=C(\C#N)c2ccc(Cl)cc2)c(OC)c1C 571774 BZSFGUPBMJQKJK-XNTDXEJSSA-N 313.784 4.730 50 40 DJGB O=C(CCl)Nc1nc2c(s1)CCCCCCCCCC2 72334033 JUDISDBOGYZQAK-UHFFFAOYSA-N 314.882 4.540 50 40 DJGB C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)C#N 118916436 GYZIETHYKFOHGQ-IJMQKCTASA-N 301.474 4.674 50 40 DJGB O=C(CCCCl)Nc1c(Cl)cc(Cl)cc1Cl 5756614 IXDRHYZJCFSCIT-UHFFFAOYSA-N 301.000 4.604 50 40 DJGB O=C(CCCCCBr)c1cc(F)ccc1Cl 309563896 PVSNVXBSNFROSF-UHFFFAOYSA-N 307.590 4.617 50 40 DJGB Cc1cc(Br)ccc1C(=O)[C@H](Cl)c1ccccc1 126967261 QZGHIWKMMBJCSA-CQSZACIVSA-N 323.617 4.920 50 40 DJGB C/C(=N\NC(=O)c1sc2ccccc2c1Cl)C(C)(C)C 12573326 YIQAMGVMWXCIDS-RQZCQDPDSA-N 308.834 4.707 50 40 DJGB N#CC1=C(N)SC2(CCCCC2)S[C@H]1c1ccccc1 20101342 TUABJPJIDAZZAO-AWEZNQCLSA-N 302.468 4.562 50 40 DJGB N#CC(=C\c1ccc(F)cc1)/C(O)=N/c1nc2ccccc2s1 41120661 AHWLTXQSQYPGGV-FMIVXFBMSA-N 323.352 4.631 50 40 DJGB N#C/C(=C/c1ccc([N+](=O)[O-])o1)c1ccc(Cl)c(Cl)c1 408586178 LRMMTVCROVDSEV-UITAMQMPSA-N 309.108 4.559 50 40 DJGB CC[C@H](C)c1ccc(-c2csc(NC(=O)CCl)n2)cc1 370049 VKAVIHUIDOZMNU-JTQLQIEISA-N 308.834 4.501 50 40 DJGB N#C/C(=C/c1cccs1)C(=O)c1c[nH]c2cc(Cl)ccc12 40140001 GXNSNRVDLDWACR-POHAHGRESA-N 312.781 4.673 50 40 DJGB C[C@@H](Cl)C(=O)N1c2cc(Cl)ccc2[C@H](C)CC1(C)C 223827346 FFSPXVZVJXMZQA-NXEZZACHSA-N 300.229 4.586 50 40 DJGB CCCOc1ccc(/C=C(\C#N)c2ccc(C)cc2)cc1OC 408579628 IVCLXGWROLERTN-LDADJPATSA-N 307.393 4.857 50 40 DJGB N#C/C(=C\c1c[nH]c2ccccc12)Sc1nc2ccccc2[nH]1 408598510 BWDIZXAEUKLWHG-UKTHLTGXSA-N 316.389 4.701 50 40 DJGB CCOc1cccc(/C=C(/C#N)c2nc3ccccc3s2)c1 32119713 KOIRCJZTJIBDPX-UVTDQMKNSA-N 306.390 4.759 50 40 DJGB FC(F)(F)c1c(Cl)cc(CBr)cc1Cl 575721336 KTHYRFNKMXTESZ-UHFFFAOYSA-N 307.924 4.907 50 40 DJGB Cc1ccc(/C=C(\C#N)c2ccc(C(F)(F)F)cn2)cc1C 40139844 RIAFSWAZCFRETQ-RIYZIHGNSA-N 302.299 4.781 50 40 DJGB CCOc1ccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1 76539445 IUCDDIDGYCLVMS-LFIBNONCSA-N 317.392 4.643 50 40 DJGB N#CCn1cc(/C=C(/C#N)c2cccc(Cl)c2)c2ccccc21 409369980 ISHBTUPORKQCMF-GDNBJRDFSA-N 317.779 4.882 50 40 DJGB Cc1ccc(C(=O)N/N=C/c2cccc3ccccc23)c(Cl)c1 4827560 FDLATIVSFRHFIF-CIAFOILYSA-N 322.795 4.566 50 40 DJGB O=C(Cl)c1ccc(-c2ccc(Br)c(Cl)c2)o1 218717355 OZJLJCBQYHEKIH-UHFFFAOYSA-N 319.969 4.742 50 40 DJGB N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)c1ccccc1 5772577 WABIGNJSAFBSDL-FMIVXFBMSA-N 302.160 4.783 50 40 DJGB N#C/C(=C\c1ccc(C#N)cc1)Sc1nc2ccccc2s1 6476818 SPSANISWSTXPNF-NTEUORMPSA-N 319.414 4.825 50 40 DJGB Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(Cl)c2)c1C 7164324 BUMMGLLHPMZPRG-OQLLNIDSSA-N 310.784 4.503 50 40 DJGB Cc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1 7210448 WATOVVCEOSRFDJ-OQLLNIDSSA-N 310.784 4.503 50 40 DJGB CCOP(=O)(OCC)/C(C#N)=C\c1cccc2ccccc12 31840950 ARVGRJBWTHEAQQ-VBKFSLOCSA-N 315.309 4.970 50 40 DJGB CCOc1cccc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)c1 169964828 WWTGZORLJXIFNH-YBEGLDIGSA-N 317.392 4.643 50 40 DJGB N#C/C(=C/c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 408587159 RILZHMMXHPHXEK-SDQBBNPISA-N 319.147 4.966 50 40 DJGB CCOC(=O)c1[nH]c2ccccc2c1[C@@H](Cl)c1ccccc1 1435987 QKLDPHVOEQBAOK-INIZCTEOSA-N 313.784 4.673 50 40 DJGB COc1ccccc1/N=N/c1ccc(NC(=O)CCl)cc1C 3885986 TZVHANGHBZYUSW-FMQUCBEESA-N 317.776 4.596 50 40 DJGB COc1ccc(-c2csc(/C(C#N)=C/c3ccc(C)o3)n2)cc1 4903500 CYVWAUSBEXAOMR-NTEUORMPSA-N 322.389 4.784 50 40 DJGB N#C[C@H](Cl)Cc1c(Cl)cc(C(F)(F)F)cc1Cl 165526 SNWKIBZOADQKKI-ZCFIWIBFSA-N 302.510 4.686 50 40 DJGB N#C/C(=C\c1ccc(Cl)s1)C(=O)Nc1ccccc1Cl 4544650 QXGROUGBCYKELA-VQHVLOKHSA-N 323.204 4.601 50 40 DJGB CCC/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 4657141 JNUMBUCFUIXJMS-ZBJSNUHESA-N 322.452 4.918 50 40 DJGB BrCc1csc2ccc(Br)cc12 30678316 BCLKMDBUQJYWDZ-UHFFFAOYSA-N 306.022 4.559 50 40 DJGB N#C/C(=C/c1cccs1)c1nc2ccccc2n1C(F)F 48333053 VRMKVWUCEHXJDU-NTMALXAHSA-N 301.321 4.557 50 40 DJGB Fc1cccc(-c2nc3cc(CBr)ccc3o2)c1 216796106 HFDJSEHEPTZSBI-UHFFFAOYSA-N 306.134 4.529 50 40 DJGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)cc1 1450986 XRZXQWXHPOGEIL-LDADJPATSA-N 304.393 4.664 50 40 DJGB CC[C@@H](Oc1ccc(C(C)(C)c2ccccc2)cc1)C(=O)Cl 40451392 NNUGMPOMICYXKQ-QGZVFWFLSA-N 316.828 4.935 50 40 DJGB Cc1ccc(C(=O)NN=C2CCCCCCCCCCC2)o1 5815093 WMWUVQVHOZJKOM-UHFFFAOYSA-N 304.434 4.979 50 40 DJGB O=C(Sc1ccccc1)[C@H](Cl)[C@@H](Cl)c1ccccc1 1685431 QNARSFWIZXCQAD-UONOGXRCSA-N 311.233 4.893 50 40 DJGB N#C/C(=C/c1ccsc1)C(=O)c1c[nH]c2cc(Cl)ccc12 40139993 DVSFWZLJNUGBOP-WZUFQYTHSA-N 312.781 4.673 50 40 DJGB Cc1cc2c(cc1/C=C(/C#N)c1ccc3ccccc3c1)OCO2 408550377 GRPKPUZNTDZYBD-GRSHGNNSSA-N 313.356 4.941 50 40 DJGB O=C(Cl)Cc1ccc(-c2nc3ccccc3s2)cc1Cl 41127248 YTJNRUPWHBBUGH-UHFFFAOYSA-N 322.216 4.925 50 40 DJGB O=P(CSc1ccccc1)(c1ccccc1)c1ccccc1 100171015 FSHUUGJBSQZQGW-UHFFFAOYSA-N 324.385 4.750 50 40 DJGB Cc1ccc(S[C@@H](C)C(=O)NN=C2CCCCCCC2)cc1 409111432 CPYIGPLLLQJHTG-HNNXBMFYSA-N 318.486 4.692 50 40 DJGB N#C/C(=C\c1cccc(O)c1)c1nc(-c2ccccc2)cs1 7352440 OBGFYHUPUDOYBV-OQLLNIDSSA-N 304.374 4.580 50 40 DJGB O=C(CCCC[C@H]1CCSS1)Nc1ccc2c(c1)CCC2 25403535 CCTMBDHXHZMQJR-INIZCTEOSA-N 321.511 4.828 50 40 DJGB N#C/C(=C\c1cccc(Cl)c1)Sc1nc2ccccc2[nH]1 408599689 YPCXQUXUDASNDA-UKTHLTGXSA-N 311.797 4.873 50 40 DJGB Cc1ccccc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1C 33362181 BFPMKVVGCBKSQM-GDNBJRDFSA-N 310.784 4.503 50 40 DJGB C[Si](C)(C)O[C@]1(CC(=O)c2ccccc2)Cc2ccccc21 195753089 MQWFSVPRZFRROK-IBGZPJMESA-N 310.469 4.563 50 40 DJGB Cc1ccc(Cl)c(C(=O)CCCCCBr)c1 309231737 XUARIPWGQDSKKN-UHFFFAOYSA-N 303.627 4.786 50 40 DJGB CCCCCC[C@H](I)CC(F)(F)F 98210394 RXRJRZOFHOIBLX-QMMMGPOBSA-N 308.125 4.713 50 40 DJGB O=C(CCCCCl)c1cccc(OC(F)(F)C(F)F)c1 575360618 JOTLADWXHOCEGH-UHFFFAOYSA-N 312.690 4.515 50 40 DJGB N#C/C(=C\Nc1cccc(Cl)c1)c1nc2ccccc2s1 546250 ZOIYTQNMSLDFGS-ZHACJKMWSA-N 311.797 4.926 50 40 DJGB O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](Cl)c1ccccc1 5752786 MCXJDPBZXJMZKR-CYBMUJFWSA-N 314.599 4.912 50 40 DJGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cccc2ccccc12 33377083 SXHZRBMGVUULBP-AQTBWJFISA-N 312.372 4.694 50 40 DJGB O=C(N/N=C\c1c2ccccc2cc2ccccc12)c1ccccc1 4530049 QUYNMUOXPCAKME-HAHDFKILSA-N 324.383 4.757 50 40 DJGB O=C(CCCCCBr)c1cccc2ccccc12 145420430 KPIXWSYTUZUBCB-UHFFFAOYSA-N 305.215 4.978 50 40 DJGB N#CC(C#N)=C/C=C(/c1ccc(Cl)cc1)N1CCCCCC1 6926199 KDLDKHZCTHCTHL-ZDLGFXPLSA-N 311.816 4.530 50 40 DJGB COc1ccc(/C(Cl)=C(/C=O)c2ccc(Cl)cc2)cc1 17176454 IPXFLQLMWRYNPK-FOCLMDBBSA-N 307.176 4.655 50 40 DJGB CCOc1ccc(Cl)cc1/C=C(/C#N)c1cccc(C#N)c1 408569129 YZFGDCQFBRVJPF-SXGWCWSVSA-N 308.768 4.675 50 40 DJGB C=CCN1C=CC=C/C1=C(/C#N)c1nc(-c2ccccc2)cs1 210914259 VFJBCVINGAUREQ-FBMGVBCBSA-N 317.417 4.616 50 40 DJGB O=C(CCCCl)c1ccc(COc2cc(F)ccc2F)cc1 575358314 RRAJFMUIFTYABZ-UHFFFAOYSA-N 324.754 4.746 50 40 DJGB N#C/C(=C/c1ccsc1)c1nc2ccccc2n1C(F)F 48365907 XHDKBCLPRILAAN-XFFZJAGNSA-N 301.321 4.557 50 40 DJGB Cc1ccccc1CSC(Nc1cccc(F)c1)=C(C#N)C#N 6504703 IREWMIBYHHZBDY-UHFFFAOYSA-N 323.396 4.738 50 40 DJGB Cc1cc(C(=O)Cl)cc(C)c1OC(=O)c1ccc(Cl)cc1 256052305 MUQUTYRLZOSERI-UHFFFAOYSA-N 323.175 4.555 50 40 DJGB CC(C)=CCC/C(C)=C\C=N\NC(=O)[C@H]1C[C@H]1c1ccccc1 4587684 LJARHXKXELULFY-RSSIUMSRSA-N 310.441 4.585 50 40 DJGB C[C@H]1CCCC/C1=N\NC(=O)c1sc2ccccc2c1Cl 13549293 ANQSBXVPHRZJRQ-QCQOHNBASA-N 320.845 4.851 50 40 DJGB C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OCC)c1O 59249551 FITIYLSBSHDIBU-LDADJPATSA-N 305.377 4.584 50 40 DJGB N#C/C(=C/Nc1cccc2ccccc12)c1nc2ccccc2o1 100525800 LBYHBVKFIUACCP-SQFISAMPSA-N 311.344 4.958 50 40 DJGB N#C/C(=C(/O)c1cccc2ccccc12)c1nc2ccccc2[nH]1 102542871 MFJGQXMHVYJUJO-MNDPQUGUSA-N 311.344 4.666 50 40 DJGB N#C/C(=C/c1ccc(N2CCCC2)cc1F)c1cccc(F)c1 409389405 AXDWYPJFJYQPMJ-YBEGLDIGSA-N 310.347 4.629 50 40 DJGB C[C@H](Cl)C(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F 575360024 BRYUPGAUMMMWAZ-YFKPBYRVSA-N 304.617 4.534 50 40 DJGB CC[C@H](Cl)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 575360251 ABLHRUJWFZNJLU-VIFPVBQESA-N 318.644 4.924 50 40 DJGB CCC(/C=C\c1ccccc1)=N/NC(=O)c1ccc(Cl)cc1 17142996 UTELSJBTDLDNPX-AMCJISMJSA-N 312.800 4.549 50 40 DJGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2ccc(Cl)s2)c1 59133177 YPJDSLNPMLQKCG-WQLSENKSSA-N 316.813 4.564 50 40 DJGB BrCCCCCCOCCCCc1ccccc1 2569980 HYRIAERKUPZOCS-UHFFFAOYSA-N 313.279 4.981 50 40 DJGB COC(=O)c1ccc(/C=C(/C#N)c2cccc3ccccc23)cc1 6440996 PYXWITVSDIZASD-AQTBWJFISA-N 313.356 4.691 50 40 DJGB O=C(CCCCCl)c1ccc(Br)c(Cl)c1 308781172 CRZVJELCXNTVSI-UHFFFAOYSA-N 310.018 4.694 50 40 DJGB Cc1ccc(N/C(S)=C(/C#N)c2nc3ccccc3s2)cc1 96996701 DRBCFTHJAUDTMK-DTQAZKPQSA-N 323.446 4.839 50 40 DJGB CCCCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(C)cc2)o1 44932775 RQSLOWPNEYGDIN-VBKFSLOCSA-N 309.365 4.505 50 40 DJGB C#CCOc1ccc(Cl)cc1/C=C(\C#N)c1ccc(C)cc1 408579840 KIZZVTJXCXGYNJ-GZTJUZNOSA-N 307.780 4.725 50 40 DJGB C[C@H]([C@H](Cl)c1cccc(C(F)(F)F)c1)N(C)CCCl 4743351 GUZMQMASNZQWCQ-SKDRFNHKSA-N 314.178 4.544 50 40 DJGB S=c1sc2c(s1)S[C@H](CBr)CS2 5377101 UZOZFNULOLRSQF-GSVOUGTGSA-N 317.345 4.500 50 40 DJGB O=C(Cl)c1cc(C(F)(F)F)cc(Br)c1Cl 575678292 DMZYQHNCYNAQQH-UHFFFAOYSA-N 321.907 4.500 50 40 DJGB N#CC(C#N)=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 331679 ZXOLZRKFNPLLHL-UHFFFAOYSA-N 317.779 4.774 50 40 DJGB Nc1cc(SSc2ccc(Cl)c(N)c2)ccc1Cl 91301414 NJYNNWAPVXBAQD-UHFFFAOYSA-N 317.266 4.957 50 40 DJGB COc1ccc2cc(C(=O)CCCCBr)ccc2c1 575358586 UISACFMOVLKCAT-UHFFFAOYSA-N 321.214 4.596 50 40 DJGB O=C(CCl)Nc1csc(C(F)(F)F)c1-c1ccccc1 165337 CDQKTDKDLUNZEY-UHFFFAOYSA-N 319.735 4.611 50 40 DJGB N#C/C(=C\c1cccs1)C(=O)Nc1ccc(Cl)cc1Cl 242357 INFDMVNCLDABCT-RMKNXTFCSA-N 323.204 4.601 50 40 DJGB CC(C)(C)c1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1 1977645 UBHYDZKHTJRMNP-FOWTUZBSSA-N 306.365 4.956 50 40 DJGB BrC[C@H](Br)c1cccc2ccccc12 103703509 KOFFBHGDTNXEHL-LBPRGKRZSA-N 314.020 4.671 50 40 DJGB Cc1ccc(/C(C#N)=C/c2cc(Br)ccc2O)cc1 408580728 RKAUACYANNQKBH-RIYZIHGNSA-N 314.182 4.527 50 40 DJGB CC(C)(CCl)C(=O)c1ccc(Br)cc1Cl 308837128 WYDRTEYIBUVFPH-UHFFFAOYSA-N 310.018 4.550 50 40 DJGB Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1 143377 BIUDJZWDJQDKPQ-XDHOZWIPSA-N 318.420 4.973 50 40 DJGB CC(C)C(=O)/C(C#N)=C\c1ccc(OCc2cccc(F)c2)cc1 40139962 MYQBTGVYWOYZIA-YVLHZVERSA-N 323.367 4.537 50 40 DJGB Cc1ccc(/C=C(/C#N)c2nc3ccccc3s2)cc1[N+](=O)[O-] 43079012 GUMRAGPSXQQNAZ-JYRVWZFOSA-N 321.361 4.577 50 40 DJGB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)C#N 257345245 GYZIETHYKFOHGQ-BCPGGHEJSA-N 301.474 4.674 50 40 DJGB N#C/C(=C\c1cccs1)C(=O)Nc1cc(Cl)ccc1Cl 5769711 ATCIFTXONJISQS-RMKNXTFCSA-N 323.204 4.601 50 40 DJGB O=C(/N=N\c1ccccc1Cl)NNc1ccccc1Cl 104311275 OWJCFKXXPSKMEY-ZPHPHTNESA-N 309.156 4.814 50 40 DJGB O=C(CCl)c1ccccc1Nc1cccc(C(F)(F)F)c1 1857523945 JPVDFGYNLUBCSD-UHFFFAOYSA-N 313.706 4.871 50 40 DJGB S=c1sc2c(s1)S[C@@H](CBr)CS2 5377052 UZOZFNULOLRSQF-VKHMYHEASA-N 317.345 4.500 50 40 DJGB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC/C2=N\NC=O 6779759 HFZBDAPJPLSLRS-QXNFVRJRSA-N 316.489 4.521 50 40 DJGB Cc1ccsc1C(=O)/C(C#N)=C\c1ccccc1OC(C)C 48332577 LBQDZAZRJCNSLA-GDNBJRDFSA-N 311.406 4.634 50 40 DJGB C[C@H](Cl)CSC(=O)S[C@H](Cl)C(Cl)Cl 1568387 PYQUCBXKQUPISR-UCORVYFPSA-N 302.075 4.569 50 40 DJGB N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 409351004 VIAWZWNPGRTWMQ-GHXNOFRVSA-N 319.147 4.966 50 40 DJGB ICc1c2ccccc2cc2ccccc12 59199201 FDEUXEXJKVLQQU-UHFFFAOYSA-N 318.157 4.928 50 40 DJGB Cc1cc(C=C(C#N)C#N)c(C)n1-c1ccc(Cl)cc1Cl 4106468 QDTOEJODXGNZTF-UHFFFAOYSA-N 316.191 4.832 50 40 DJGB Cc1cc(C)c(C#N)c(SSC(Cl)(Cl)Cl)n1 13208353 VYURRSJXKBWKSH-UHFFFAOYSA-N 313.662 4.638 50 40 DJGB CCCC[C@@H](CC)COC(=O)/C(C#N)=C\C=C\c1ccccc1 71603476 YWZLSHJSUDBZRY-WIVJBSKWSA-N 311.425 4.909 50 40 DJGB COc1ccc(N[P@@](=O)(Cl)C(Cl)(Cl)Cl)cc1 97983203 NXWSVMIZRGTJFS-INIZCTEOSA-N 322.943 4.867 50 40 DJGB CCCC/C(=N\NC(=O)c1ccccc1Cl)c1ccccc1 12571537 CYGSYMOZRDOXRG-LVZFUZTISA-N 314.816 4.664 50 40 DJGB CCn1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c2ccccc21 51075614 ZOLYHRRRBZWKTI-KAMYIIQDSA-N 312.376 4.602 50 40 DJGB C/C(=N\NC(=O)C1CCC(C(C)(C)C)CC1)[C@H]1C[C@@H]2CC[C@@H]1C2 100064417 FJKGFTBWQSAQEC-WVHVRKIVSA-N 318.505 4.767 50 40 DJGB O=C(/C=C/c1ccccc1)c1ccc(OCCCCl)cc1 4280603 UYRYKNAEPZCVNX-KPKJPENVSA-N 300.785 4.590 50 40 DJGB COc1ccc(/C(C#N)=C/c2ccc(Br)cc2)cc1 146152763 MMXARNKZPVHMSR-GXDHUFHOSA-N 314.182 4.522 50 40 DJGB Cc1ccc(-c2csc(/C(C#N)=C/c3cccnc3)n2)cc1 4903504 LJXVVRLOGJFZNE-CXUHLZMHSA-N 303.390 4.578 50 40 DJGB CCOc1ccccc1/C=C(\C#N)c1nc2ccccc2s1 5129920 UQXOKBQDKVUCBX-SDNWHVSQSA-N 306.390 4.759 50 40 DJGB CC[C@H](C)c1ccc2nc(NC(=O)CCCCl)sc2c1 20133607 IGTZCOBDCIJRGN-JTQLQIEISA-N 310.850 4.767 50 40 DJGB C=CCCCCCCCCCOC(=O)[C@H](C)Br 1689289 XYXGZINLLYINIF-ZDUSSCGKSA-N 305.256 4.620 50 40 DJGB CCC/C(=N\NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1 5524487 MFXRSCYHZZBNCP-ZBJSNUHESA-N 324.468 4.523 50 40 DJGB CCC(=C(SC)SC)C(=C(C#N)C#N)c1ccccc1 5614516 DKZRVBILGWGQAE-UHFFFAOYSA-N 300.452 4.835 50 40 DJGB O=C(NN=C1CCCCCC1)c1ccc(-c2ccccc2)cc1 5685184 DPEKQGKOEPGRAG-UHFFFAOYSA-N 306.409 4.794 50 40 DJGB Fc1ccc2nc(-c3ccc(CBr)cc3)sc2c1 45923135 PCCHUXWNYRCMCR-UHFFFAOYSA-N 322.202 4.997 50 40 DJGB Cc1ccc(C(=O)/C(C#N)=C/c2ccccc2C(F)(F)F)cc1 9668280 QELSQDGUJPVHNX-XNTDXEJSSA-N 315.294 4.804 50 40 DJGB C/C(=N\NC(=O)C1CCC(C(C)(C)C)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 245239831 FJKGFTBWQSAQEC-YOHRNGDVSA-N 318.505 4.767 50 40 DJGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cl)cc1C 60133 FHCFEYWCQRQPFL-XNTDXEJSSA-N 310.784 4.503 50 40 DJGB C[C@H]1CCC/C(=N/NC(=O)c2sc3ccccc3c2Cl)C1 334797 CYXXWFMBXAVOCQ-NRKMXEHJSA-N 320.845 4.851 50 40 DJGB ClCCN(CCCl)c1ccc(CNc2ccccc2)cc1 1708257 XWEUZDBSLDJWAS-UHFFFAOYSA-N 323.267 4.583 50 40 DJGB CCCCOP(=O)(OCCCC)/C(C#N)=C\c1ccco1 17220913 ZMOVJJIZVIPLSQ-QINSGFPZSA-N 311.318 4.971 50 40 DJGB N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)Nc1ccccc1 6282453 OTEHCGKWXPYWBZ-FMIVXFBMSA-N 317.175 4.539 50 40 DJGB O=C(NN=C1CCCCCCC1)c1ccc(Cl)cc1Cl 6329508 DHZZYRWXGWFUNU-UHFFFAOYSA-N 313.228 4.824 50 40 DJGB COc1ccc(/C=C/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1 33743391 KNPSJVJSRLINHR-MJPUSMOISA-N 315.376 4.500 50 40 DJGB O=C(Cl)c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 217707464 GNVQUPGUFVGTMG-UHFFFAOYSA-N 315.583 4.951 50 40 DJGB C[C@@H]1Cc2cc(/C=C(\C#N)c3nc4ccccc4s3)ccc2O1 5390726 CHYWMJDKEURXAT-JXCQQFQQSA-N 318.401 4.684 50 40 DJGB Cc1ccc2nc(/C(C#N)=C\c3c(C)[nH]c4ccccc34)[nH]c2c1 33936317 ARUWZBVVAPMMCB-UVTDQMKNSA-N 312.376 4.725 50 40 DJGB ClCCn1nc2c(c1-c1ccccc1)CCc1ccccc1-2 1639808 WXOBZTDVARSLPZ-UHFFFAOYSA-N 308.812 4.555 50 40 DJGB N#CC1=C(N)SC2(CCCCC2)S[C@@H]1c1ccccc1 20101340 TUABJPJIDAZZAO-CQSZACIVSA-N 302.468 4.562 50 40 DJGB N#C/C(=C/c1cccc(Br)c1)c1ccccc1F 107704351 RVHFNYDGPMMFOB-WQLSENKSSA-N 302.146 4.652 50 40 DJGB CC(C)(C)OC(=O)CCCCCCCCCBr 1857777281 QQLXPUHVMNANLN-UHFFFAOYSA-N 307.272 4.844 50 40 DJGB CC(/C=C/c1ccccc1)=N\NC(=O)c1ccc(C(C)(C)C)cc1 4616984 IVQLWHXRAGYXEW-YYMYKZPXSA-N 320.436 4.803 50 40 DJGB Cc1cc(Br)ccc1C(=O)[C@@H](Cl)c1ccccc1 126967484 QZGHIWKMMBJCSA-AWEZNQCLSA-N 323.617 4.920 50 40 DJGB C=CCc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(OCC)c1O 560370 MLHNULCAHILCGR-XDHOZWIPSA-N 319.404 4.892 50 40 DJGB N#C/C(=C1\C(=O)c2ccccc2-c2ccccc21)c1ccccc1 1722449 YNBFDQWQDDBDTE-QZQOTICOSA-N 307.352 4.984 50 40 DJGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)c3ccccn3)c2C)cc1 5068283 TWJOYJVPTNTVOF-CPNJWEJPSA-N 313.404 4.862 50 40 DJGB Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1C(C)(C)C 6825520 SHCODCIEXKRRIM-WQRHYEAKSA-N 322.408 4.622 50 40 DJGB CCn1c(C)c(/C=C(\C#N)c2cccc(C#N)c2)c2ccccc21 408566383 GBCZXJOTHDBKHR-LDADJPATSA-N 311.388 4.905 50 40 DJGB N#C/C(=C/c1ccc(-c2ccccc2C#N)o1)c1ccc(C#N)cc1 582322 VGJXVWXFCDIESL-WQRHYEAKSA-N 321.339 4.754 50 40 DJGB N#C/C(=C/c1cccc2cccnc12)c1nc2ccccc2s1 13625366 LNRNAZCRTAGJKD-PTNGSMBKSA-N 313.385 4.909 50 40 DJGB Cc1ccccc1N/C(S)=C(/C#N)c1nc2ccccc2s1 100430098 ZMKDQINBDNCVLP-FOWTUZBSSA-N 323.446 4.839 50 40 DJGB CN(CCC#N)c1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1 1735971 OLVVDPUQMXLTPP-GHRIWEEISA-N 321.811 4.754 50 40 DJGB N#C/C(=C/c1c2ccccc2c(Cl)c2ccccc12)C(N)=S 2029037 QGOTVEDVAIDXCC-LUAWRHEFSA-N 322.820 4.839 50 40 DJGB CCCCCCCC[C@H](Br)CBr 2038090 XBRBOTTWTQOCJH-JTQLQIEISA-N 300.078 4.895 50 40 DJGB O=C(CCCC[C@@H]1CCSS1)N[C@H]1CCc2ccccc21 22700197 ILIPGLHGIYTKPU-ZBFHGGJFSA-N 321.511 4.504 50 40 DJGB CCCCCCCCCCCCCC(=O)O[C@H](CO)CCl 72400103 DWUKGWYRAJZVFA-INIZCTEOSA-N 320.901 4.830 50 40 DJGB in-vitro O=C(/C=C\c1ccccc1)[C@@H](Cl)[C@H](Cl)c1ccccc1 5340428 GHDKCDDHHJACMY-XMNQGQKYSA-N 305.204 4.856 50 40 DJGB ClC[C@H](Cl)CN(Cc1ccccc1)Cc1ccccc1 95811155 BMNAFIWAJIHBJH-KRWDZBQOSA-N 308.252 4.535 50 40 DJGB N#CC(C(=O)Nc1cccc2ccccc12)=C1CCCCCC1 130382 JXWOVICRYVVURV-UHFFFAOYSA-N 304.393 4.953 50 40 DJGB Cc1ccc(/N=N/c2ccc(C)cc2NC(=O)CCl)cc1 17822111 DFKIIDHXVSMBSI-FMQUCBEESA-N 301.777 4.896 50 40 DJGB CC(C)(C)c1ccc([PH](=O)c2ccc(C(C)(C)C)cc2)cc1 100074142 AKHPZCUBCXFMPZ-UHFFFAOYSA-N 314.409 4.792 50 40 DJGB BrCCC12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2 100496702 SGXXYLWOJZKRCA-JYBOHDQNSA-N 322.084 4.505 50 40 DJGB CCCCc1ccc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)cc1 6399453 RABFGNUTCDLOAY-LGMDPLHJSA-N 322.383 4.714 50 40 DJGB CCN(CC)c1ccc(/C=C(/C#N)c2cccc(Cl)c2)o1 39127416 OFBMDWQJFVHIEU-KAMYIIQDSA-N 300.789 4.843 50 40 DJGB COc1ccc2ccccc2c1/C=C(\C#N)c1ccc(C#N)cc1 108504191 NPSBPNLBCVYCHB-LDADJPATSA-N 310.356 4.784 50 40 DJGB CCC(C)(C)C1CCC(=NNC(=O)c2cccc(F)c2)CC1 5791979 IHXUKYANWKFUGO-UHFFFAOYSA-N 304.409 4.538 50 40 DJGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1sccc1C 212106131 GYIUIZIOENKLOL-GHXNOFRVSA-N 316.813 4.564 50 40 DJGB Cc1ccc(Sc2ccc(NC(=O)CCl)cc2)cc1C 3330530 ORXIIDGKDCBEGL-UHFFFAOYSA-N 305.830 4.632 50 40 DJGB CCSc1ccc(C(=O)CCCCBr)cc1 382701623 OSWAVXBLOOVUHT-UHFFFAOYSA-N 301.249 4.547 50 40 DJGB COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OC 560180 ODECGNRVRZKZQU-OVCLIPMQSA-N 313.784 4.730 50 40 DJGB Cc1cc(C)c(NC(=O)/C(C#N)=C/c2sccc2C)c(C)c1 2800833 MKHJZXAVURXFHP-OQLLNIDSSA-N 310.422 4.527 50 40 DJGB COc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OC 6453680 YZOTXOWQXVKJGW-GHXNOFRVSA-N 317.747 4.560 50 40 DJGB CCOP(=O)(OCC)/C(C#N)=C\c1ccc2ccccc2c1 17220821 IGMRRTIUXDAZGC-ATVHPVEESA-N 315.309 4.970 50 40 DJGB CCOc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC 409352144 YWOWJFQMZAVUJC-GDNBJRDFSA-N 313.784 4.811 50 40 DJGB CCCCCCCCCCCCCC(=O)O[C@@H](CO)CCl 72400102 DWUKGWYRAJZVFA-MRXNPFEDSA-N 320.901 4.830 50 40 DJGB in-vitro C/C(=N\NC(=O)C1CCC(C(C)(C)C)CC1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100064410 FJKGFTBWQSAQEC-IONNYSJISA-N 318.505 4.767 50 40 DJGB C[C@@H](/C=N/NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 5353826 DWLNPPYPXJGOLV-VSMYLPJWSA-N 321.207 4.513 50 40 DJGB CCOP(=O)(OCC)/C(C#N)=C\c1c(C)[nH]c2ccccc12 8665329 WHRMWWOAGROONP-RAXLEYEMSA-N 318.313 4.607 50 40 DJGB O=C(CCCC[C@@H]1CCSS1)Nc1cccc2[nH]ccc12 72326301 LWXUCAQHRYULSW-GFCCVEGCSA-N 320.483 4.821 50 40 DJGB biogenic Cc1ccc(C)n1-c1ccc(C(=O)NN=C2CCCCCC2)cc1 20785385 YNRBIHFXMCUDCI-UHFFFAOYSA-N 323.440 4.534 50 40 DJGB C[Si](C)(C)OC([C]1CCCN1)(c1ccccc1)c1ccccc1 1560407533 PTVXUABYSHZHAR-UHFFFAOYSA-N 324.520 4.697 50 40 DJGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(C(C)(C)C)cc2)cc1 5541489 XIGGVWQCJRSASC-LGMDPLHJSA-N 318.420 4.838 50 40 DJGB C[C@H](Br)C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2 100151841 JYOVSTJYLZJQNY-JCZBKMKOSA-N 322.084 4.504 50 40 DJGB CC[C@@H](Cl)C(=O)c1cccc(OCc2cccc(F)c2)c1 575357364 IAJJHLWMNHLAQM-MRXNPFEDSA-N 306.764 4.605 50 40 DJGB Cc1ccc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)cc1 63412580 JHFZRWYWWDFHJG-MHWRWJLKSA-N 303.390 4.578 50 40 DJGB CCCCCCCC/C=N\NC(=O)c1cc(Cl)ccc1OC 59277810 LGBYDPRMLYVXIN-UNOMPAQXSA-N 324.852 4.815 50 40 DJGB CCCCc1ccc(NC(=O)/C(C#N)=C\c2ccc(C)cc2)cc1 6399448 KQVYLHOWYKKVFC-RGEXLXHISA-N 318.420 4.883 50 40 DJGB O=C(c1sccc1Br)[C@H](Cl)c1ccccc1 88112027 WMRFOPOQFOXPOK-SNVBAGLBSA-N 315.619 4.673 50 40 DJGB CCOC(=O)c1ccc(/C(C#N)=C/c2ccc(Cl)cc2)cc1 1665266 GOWKGOGXSKCNPN-LFIBNONCSA-N 311.768 4.581 50 40 DJGB N#C/C(=C/c1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1 96398849 RUEKGOJCWUPARG-WQLSENKSSA-N 317.175 4.539 50 40 DJGB C#CCn1cc(/C=C(/C#N)c2ccc(Cl)cc2)c2ccccc21 495973 CGNVNPXRFMLCJP-VBKFSLOCSA-N 316.791 4.992 50 40 DJGB CC[C@@H](C)Oc1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1 6357665 MXPHFGJRDMAMMD-RQNDZEIBSA-N 322.364 4.836 50 40 DJGB C[C@@H]([C@H](Cl)c1cccc(C(F)(F)F)c1)N(C)CCCl 4743350 GUZMQMASNZQWCQ-CABZTGNLSA-N 314.178 4.544 50 40 DJGB N#C/C(=C/C=C/c1ccccc1)c1nc(-c2ccncc2)cs1 58229814 DEHYIBBXSGXMLU-GUSDSWBTSA-N 315.401 4.825 50 40 DJGB Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1 122428 XNXTWMVTZRMBCA-XNTDXEJSSA-N 310.784 4.503 50 40 DJGB N#C/C(=C/c1ccc(N2CCCCC2)o1)c1cccc(Cl)c1 59137980 CSBCEWUNBYCJMY-QINSGFPZSA-N 312.800 4.987 50 40 DJGB O=C(CCl)N(CC1CCCC1)c1ccc2ccccc2c1 199757902 QXZLQJNAJCXANX-UHFFFAOYSA-N 301.817 4.602 50 40 DJGB CC[C@H](Cl)C(=O)c1cccc(OCc2cccc(F)c2)c1 575357363 IAJJHLWMNHLAQM-INIZCTEOSA-N 306.764 4.605 50 40 DJGB O=C(Cl)c1ccc(-c2ccc(Br)cc2Cl)o1 8729533 DCTCNBIXHRDLTH-UHFFFAOYSA-N 319.969 4.742 50 40 DJGB Clc1nc(C(Cl)Cl)nc2sc3c(c12)CCCC3 1590455 VUTCRKCUTLDMTC-UHFFFAOYSA-N 307.633 4.700 50 40 DJGB N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)c1ccccc1 16672961 ALNFRSDYWQZJHE-SFQUDFHCSA-N 315.328 4.709 50 40 DJGB Cc1ccccc1-n1cccc1/C=C(/C#N)c1cccc(F)c1 409393268 PNLIGEIHTBLGFK-LGMDPLHJSA-N 302.352 4.989 50 40 DJGB CC1(C)OC12[C@H]1C3=C([C@H](Cl)C=C[C@@H]3Cl)[C@H]2c2ccccc21 104294163 JSEYTPMVKKYTJC-PXKDBHNXSA-N 319.231 4.510 50 40 DJGB O=C(CCCCCCCl)c1ccccc1Br 2567554 GDSFJIQQJZSUTE-UHFFFAOYSA-N 303.627 4.821 50 40 DJGB CC(C)(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97949743 JQFXJVQEVVYILS-UHFFFAOYSA-N 319.408 4.779 50 40 DJGB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)C#N 257345246 GYZIETHYKFOHGQ-RVXCPRFISA-N 301.474 4.674 50 40 DJGB N#CCn1cc(/C=C(/C#N)c2ccc(Cl)cc2)c2ccccc21 409381140 CWQNPYRALAGPBN-PTNGSMBKSA-N 317.779 4.882 50 40 DJGB C[C@H](/C=N/NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 5356902 DWLNPPYPXJGOLV-VURRPDKYSA-N 321.207 4.513 50 40 DJGB Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc(Cl)cc1 6035134 XNXTWMVTZRMBCA-GDNBJRDFSA-N 310.784 4.503 50 40 DJGB N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc2ccccc2c1 408751750 CBGSBYNFIMFBMQ-GZTJUZNOSA-N 316.335 4.525 50 40 DJGB N#C/C(=C\c1cccc(C#N)c1)c1nc(-c2ccccc2)cs1 14179610 PZDKWANKQJWGFM-LICLKQGHSA-N 313.385 4.746 50 40 DJGB Fc1ccc2nc(-c3ccccc3CBr)sc2c1 45923222 FZYMKTOLJJGKPP-UHFFFAOYSA-N 322.202 4.997 50 40 DJGB Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1N=C=S 2536601 QSFCEAHRMSWXRU-UHFFFAOYSA-N 312.225 4.589 50 40 DJGB O=NNc1ccc(SSc2ccc(NN=O)cc2)cc1 6535976 UIHVCCIRURNIAB-UHFFFAOYSA-N 306.372 4.673 50 40 DJGB Cc1cc(C=C(C#N)C#N)cc(C)c1OCc1ccc(Cl)cc1 408842472 ABFPYQKDLXZXJO-UHFFFAOYSA-N 322.795 4.966 50 40 DJGB N#C/C(=C\c1ccccc1Cl)C(=O)Nc1cccc(Cl)c1 6258401 NMGZPVTYZWRGCN-XYOKQWHBSA-N 317.175 4.539 50 40 DJGB O=C(c1ccc(Br)s1)[C@@H](Cl)c1ccccc1 88111929 TXIUVGISAKAOTC-NSHDSACASA-N 315.619 4.673 50 40 DJGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1 143386 OCGXRQYULAUZOU-CPNJWEJPSA-N 318.420 4.918 50 40 DJGB C[C@H](Cl)C(=O)N1c2ccc(Cl)cc2[C@H](C)CC1(C)C 223236316 VSKRYXQQKLAJME-ZJUUUORDSA-N 300.229 4.586 50 40 DJGB Cc1ccc(-c2csc(/C(C#N)=C\c3cccnc3)n2)c(C)c1 6820244 BTDHAFJAJUSADP-SXGWCWSVSA-N 317.417 4.886 50 40 DJGB N#C/C(=C\c1ccc2ccccc2n1)c1nc2ccccc2s1 9306527 IVMLVEZKWSZPPX-SDNWHVSQSA-N 313.385 4.909 50 40 DJGB CCC(/C=C/c1ccccc1)=N\NC(=O)c1ccc(Cl)cc1 16942841 UTELSJBTDLDNPX-GDVPXNOZSA-N 312.800 4.549 50 40 DJGB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(CCl)cc1 37343052 LGINMOILGLJUSI-UHFFFAOYSA-N 314.599 4.985 50 40 DJGB CC1=C(C#N)C(/C=C(\Cl)c2ccc(C)c(C)c2)C(C#N)=C(C)N1 35193522 ATZCZBLTXBZTJG-UWVJOHFNSA-N 323.827 4.698 50 40 DJGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/C=C/c1ccccc1 408809387 LCGOGLBVTOOAFF-ZCPHBQKFSA-N 322.795 4.750 50 40 DJGB N#CC(C(=O)Nc1cccc(C(F)(F)F)c1)=C1CCCCCC1 132095 LPOJGKRBTKTYSG-UHFFFAOYSA-N 322.330 4.818 50 40 DJGB BrCCC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2 57448121 SGXXYLWOJZKRCA-ZYANWLCNSA-N 322.084 4.505 50 40 DJGB COc1ccc(/C(C#N)=C\c2c(C)n(C)c3ccccc23)cc1 6545628 TWQFXNDLAFLDSX-VBKFSLOCSA-N 302.377 4.560 50 40 DJGB CCOC(=O)c1[nH]c2ccccc2c1[C@H](Cl)c1ccccc1 1435986 QKLDPHVOEQBAOK-MRXNPFEDSA-N 313.784 4.673 50 40 DJGB O=C(CCCCCBr)c1cccc(F)c1Cl 309508553 NCTAEGGYIJZSGF-UHFFFAOYSA-N 307.590 4.617 50 40 DJGB N#C/C(=C\c1ccc(N2CCCCC2)cc1)c1ccccc1F 615231 VZEKIOBQJRGALV-SAPNQHFASA-N 306.384 4.880 50 40 DJGB N#CC(=C\c1cccs1)/C(O)=N/c1nc2ccccc2s1 41120751 UVXZKAJZJNWRGX-CSKARUKUSA-N 311.391 4.553 50 40 DJGB N#C/C(=C/c1ccc(N2CCCCCC2)o1)c1ccccc1F 107735282 RFJCRTRBDPECGA-SQFISAMPSA-N 310.372 4.863 50 40 DJGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cccc2ccccc12 2632530 SXHZRBMGVUULBP-QGOAFFKASA-N 312.372 4.694 50 40 DJGB CC[C@@H](Cl)C(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F 575360916 LUUUVDKFAAXQCX-SECBINFHSA-N 318.644 4.924 50 40 DJGB CC(C)(C)C1CCC(OC(=O)/C(C#N)=C\c2ccccc2)CC1 6459244 SZEHMENRYZZLLH-SSZFMOIBSA-N 311.425 4.742 50 40 DJGB N#C/C(=C/c1ccc(Br)cc1)c1ccccc1F 107561071 BPRRAZKOBPBRHH-XFXZXTDPSA-N 302.146 4.652 50 40 DJGB COc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OC(C)C 409392678 NEGRVOGUXCMRIG-SXGWCWSVSA-N 311.356 4.686 50 40 DJGB N#CC(C#N)=Cc1ccc(-c2ccc(SC(F)F)cc2)o1 3172030 CSWCCSHKJGELKG-UHFFFAOYSA-N 302.305 4.692 50 40 DJGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1O 6844702 YORVJMGNLCKUKM-GHXNOFRVSA-N 317.747 4.648 50 40 DJGB Cc1cccc(C)c1NC(=O)O[C@H]1C[C@@H](Cl)CC[C@@H]1Cl 4793120 VIGOWEUNSHIZOT-AVGNSLFASA-N 316.228 4.619 50 40 DJGB CCCCCCCC(=O)N/N=C(C)\C=C\c1ccccc1F 98001752 OOSHEBRNNJTGAS-MCDHDYCYSA-N 304.409 4.692 50 40 DJGB CC(C)c1ccc(/C=C(/C#N)c2nc3ccccc3n2C)cc1 33417596 JYCCVACGEDOVBO-ATVHPVEESA-N 301.393 4.761 50 40 DJGB O=C(Cl)c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 83184417 NNBBLPHTDHMFJF-UHFFFAOYSA-N 315.583 4.951 50 40 DJGB Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1C(C)(C)C 6280649 AFRUOQZBKKYJTB-YVLHZVERSA-N 323.396 4.832 50 40 DJGB Cc1onc(-c2c(Cl)cccc2Cl)c1CBr 162932 DHHBTFDTRDVDID-UHFFFAOYSA-N 321.001 4.852 50 40 DJGB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(C=C(C#N)C#N)cc21 223508880 BDXAOMYYFOGEFU-UHFFFAOYSA-N 305.425 4.836 50 40 DJGB CSc1ccc(C(=O)CCCCCBr)cc1 394653783 YKTUUZNNAVVXHG-UHFFFAOYSA-N 301.249 4.547 50 40 DJGB Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)c(C)c1 122433 KZTBEGMJQAHLFC-MHWRWJLKSA-N 324.811 4.811 50 40 DJGB O=C(Cl)c1ccc2nc(-c3ccc(Cl)cc3)sc2c1 73740471 VRKGQEFTGMALNX-UHFFFAOYSA-N 308.189 4.996 50 40 DJGB C[Si](C)(C)/C=C\CC[C@@](C=O)(CCCl)c1ccccc1 195760027 KRJQZXNTVHDNCC-QHIITQONSA-N 308.925 4.966 50 40 DJGB Cc1cccc(Cl)c1C(=O)CCCCCBr 309191079 NUEAJODJPVBRKL-UHFFFAOYSA-N 303.627 4.786 50 40 DJGB C[C@@H]1CCCc2c1cc(C(=O)CBr)c1ccccc21 5763610 AQENQBUMAWAFBZ-LLVKDONJSA-N 317.226 4.857 50 40 DJGB CC(C)(C)[Si](C)(C)OCc1ccc(C(=O)C(F)(F)F)cc1 196181228 PNTKHPCHUVZRCB-UHFFFAOYSA-N 318.411 4.953 50 40 DJGB in-vitro CC(C)/C(=N\NC(=O)c1ccc2ccccc2c1)c1ccccc1 408599396 UFPIGJGZLSMFJQ-LSDHQDQOSA-N 316.404 4.630 50 40 DJGB Fc1ccc(-c2nc3cc(CBr)ccc3o2)cc1 216796775 OTNKSMZWPNWLMO-UHFFFAOYSA-N 306.134 4.529 50 40 DJGB O=C(O)CCCCCCCCCC[C@@H](F)CBr 98174872 OJPJTFMBRILQOH-GFCCVEGCSA-N 311.235 4.705 50 40 DJGB Cc1ccc(C(=O)NN=C2CCC(C(C)(C)C)CC2)c(C)c1 4863555 ZITJDFHDWOHQEY-UHFFFAOYSA-N 300.446 4.626 50 40 DJGB ClCCCn1c(-c2ccccc2)cn2c3ccccc3nc12 4855350 KBKWRNNBUXIIJH-UHFFFAOYSA-N 309.800 4.585 50 40 DJGB O=C(/C=C\c1ccccc1)[C@H](Cl)[C@H](Cl)c1ccccc1 5340427 GHDKCDDHHJACMY-MMCLNADLSA-N 305.204 4.856 50 40 DJGB O=C(CCCl)Nc1ccc(-c2nc3ccccc3s2)cc1 39440137 DIUSZDWIBFNMFR-UHFFFAOYSA-N 316.813 4.531 50 40 DJGB O=C(CCCCCl)c1ccccc1OC(F)(F)C(F)F 575360147 FTHNOPYPJOMCTG-UHFFFAOYSA-N 312.690 4.515 50 40 DJGB N#C/C(=C\c1cc2c(cc1Cl)OCO2)c1cccc(Cl)c1 408599176 PPUISGVBALQCCM-UUILKARUSA-N 318.159 4.786 50 40 DJGB N#C/C(=C\c1ccccc1Cl)c1nc2c(s1)CCCC2 5445455 NSHQEZAMSXISCH-FMIVXFBMSA-N 300.814 4.739 50 40 DJGB N#C/C(=C/c1ccc(Cl)c(Cl)c1)c1ccccc1[N+](=O)[O-] 35104740 BPRIETPTZUTMER-XFFZJAGNSA-N 319.147 4.966 50 40 DJGB CC(C)(C)CC(=O)/C(C#N)=C\c1ccc(N2CCCCCC2)cc1 98055178 QLIPBTBYFWKLOY-JXAWBTAJSA-N 324.468 4.979 50 40 DJGB C/C(=N\NC(=O)C1CCC(C(C)(C)C)CC1)[C@@H]1C[C@H]2CC[C@@H]1C2 20157995 FJKGFTBWQSAQEC-NJHYEWLDSA-N 318.505 4.767 50 40 DJGB CCCC[C@H](Br)[C@H](Br)CCCC 98175118 GRHWTEWNWUYZGF-AOOOYVTPSA-N 300.078 4.894 50 40 DJGB O=C(c1c(F)c(F)c(F)c(F)c1F)[C@H](Cl)c1ccccc1 211954965 DEZSUBQVQQRBSJ-MRVPVSSYSA-N 320.644 4.545 50 40 DJGB C[Si](C)(C)/C=C\CC[C@](C=O)(CCCl)c1ccccc1 195760025 KRJQZXNTVHDNCC-XMCSSRMMSA-N 308.925 4.966 50 40 DJGB CC(C)c1cc(Cl)cc2sc(NC(=O)[C@@H](C)Cl)nc12 20132022 LIXTZQMPCNUTKL-SSDOTTSWSA-N 317.241 4.639 50 40 DJGB Cc1ccc(Sc2ccc(NC(=O)CCl)cc2)c(C)c1 3330570 HJPLCQSVIMOFKY-UHFFFAOYSA-N 305.830 4.632 50 40 DJGB O=C(c1ccccc1OC(F)(F)F)[C@@H](Cl)c1ccccc1 575358960 JPGWTIHOQMSHMZ-ZDUSSCGKSA-N 314.690 4.748 50 40 DJGB CCOc1ccccc1N/C=C(\C#N)c1nc2ccccc2s1 2419925 ISLKSFAYBLQKDW-OUKQBFOZSA-N 321.405 4.672 50 40 DJGB O=C(Cl)c1ccc(N=Nc2ccc(C(=O)Cl)cc2)cc1 85846032 ASOXKYGOZZTVHL-UHFFFAOYSA-N 307.136 4.860 50 40 DJGB N#C/C(=C/c1cccn1-c1ccc(F)cc1)c1ccccc1F 108012578 NPFOHBINEUVZHJ-OWBHPGMISA-N 306.315 4.820 50 40 DJGB Cc1ccc(OC(=O)/C(C#N)=C/c2ccccc2)c(C(C)(C)C)c1 408755162 ZAHIJNPAEQIXTJ-GHRIWEEISA-N 319.404 4.805 50 40 DJGB CC(C)(C)c1ccc(/C=C(\C#N)C(=O)NC2CCCCCC2)cc1 2759409 SKDBJZYJAWMMOP-SAPNQHFASA-N 324.468 4.730 50 40 DJGB C[C@@H]1CCC/C(=N\NC(=O)c2ccc(-c3ccccc3)cc2)C1 33653960 PHHOFHHCCHNUTJ-RLBWVDARSA-N 306.409 4.650 50 40 DJGB CSC1=C(C#N)[C@@H](c2ccc(C)cc2)C2=C(O)CCCC2=N1 102570725 NKUYSQFOKCWDTE-MRXNPFEDSA-N 310.422 4.627 50 40 DJGB N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 106379391 FTIRALXFEHSHDR-VBKFSLOCSA-N 316.316 4.919 50 40 DJGB ClCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 3215429 JNYLUNACJAOEIB-UHFFFAOYSA-N 303.192 4.932 50 40 DJGB COc1ccc2cc(/C=C(/C#N)C(=O)c3ccsc3)ccc2c1 48311516 VUKDJZYVYOWKGC-MFOYZWKCSA-N 319.385 4.700 50 40 DJGB CC1=CC(=C(C#N)C#N)C=C(c2ccccc2)N1Cc1ccccc1 1463399 KZGGYDDSXOWRNF-UHFFFAOYSA-N 323.399 4.791 50 40 DJGB O=C(NN=C1CCCCCCCCCCC1)c1cccc(O)c1 6686545 WYPKXIJUTFRCNM-UHFFFAOYSA-N 316.445 4.783 50 40 DJGB CC/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(C)cc1 15938356 IGKCTKCGUDKLIK-ZBJSNUHESA-N 322.452 4.837 50 40 DJGB C/C(=N\NC(=O)c1ccc2ccccc2c1)c1ccc(C)cc1C 408598617 GCDIZCBZUWGVFI-CJLVFECKSA-N 316.404 4.611 50 40 DJGB C=CCCCCCCCCCOC(=O)[C@@H](C)Br 2044329 XYXGZINLLYINIF-CYBMUJFWSA-N 305.256 4.620 50 40 DJGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccc3ccccc23)cc1 33284227 RYECXQBXJHAJCO-AQTBWJFISA-N 312.372 4.694 50 40 DJGB ClCCN(CCCl)c1ccc(/N=C/c2ccccc2)cc1 1763005 ACDDOUMOIOOWMC-XSFVSMFZSA-N 321.251 4.721 50 40 DJGB O=C(Sc1ccccc1)[C@H](Cl)[C@H](Cl)c1ccccc1 1685432 QNARSFWIZXCQAD-ZIAGYGMSSA-N 311.233 4.893 50 40 DJGB Cc1cc(C=C(C#N)C#N)c(-c2ccccc2)n1-c1ccccc1 408772703 QONYQFWNJUROEU-UHFFFAOYSA-N 309.372 4.883 50 40 DJGB N#C/C(=C\C1=Cc2ccccc2OC1)c1nc2ccccc2s1 912113 NISPOKIPCWIZIX-XNTDXEJSSA-N 316.385 4.679 50 40 DJGB O=C(CCl)Nc1ccc(Oc2cccc3ccccc23)cc1 32226736 PCBNVHFETJXDKP-UHFFFAOYSA-N 311.768 4.809 50 40 DJGB Cl[C@@H](CCBr)c1ccc(Br)cc1 100029604 UPYHWNDOGRRPRA-VIFPVBQESA-N 312.432 4.514 50 40 DJGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(C(C)C)cc2)c1C 215857736 UHDSNOHDBBNEJE-UNOMPAQXSA-N 318.420 4.973 50 40 DJGB N#C/C(=C/c1ccc(Cl)s1)C(=O)Nc1ccccc1Cl 59117292 QXGROUGBCYKELA-CLFYSBASSA-N 323.204 4.601 50 40 DJGB N#C/C(=C\c1cccc(Cl)c1)C(=O)Nc1ccccc1Cl 6410788 UNQSYAFOWXJABM-XYOKQWHBSA-N 317.175 4.539 50 40 DJGB CSC1=C(C#N)[C@@H](c2ccccc2C)C2=C(O)CCCC2=N1 104171420 ZKZPXHSHSVABAF-MRXNPFEDSA-N 310.422 4.627 50 40 DJGB ClCc1ccc2nc(-c3ccc(Br)cc3)oc2c1 70461576 SCXKLNJIBIBFDG-UHFFFAOYSA-N 322.589 4.996 50 40 DJGB O=C(Cl)/C=C/c1ccc(OCc2ccc(Cl)cc2)cc1 218722481 CYMQMZLKFQPOBM-BJMVGYQFSA-N 307.176 4.698 50 40 DJGB C[C@@H](Cl)C(=O)N1c2ccc(Cl)cc2[C@H](C)CC1(C)C 223236256 VSKRYXQQKLAJME-NXEZZACHSA-N 300.229 4.586 50 40 DJGB CCOP(=O)(OCC)/C(C#N)=C/c1c(C)[nH]c2ccccc12 1637655 WHRMWWOAGROONP-JLHYYAGUSA-N 318.313 4.607 50 40 DJGB CC(C)=CCC/C(C)=C\C=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1 4587682 LJARHXKXELULFY-GGGJWSDESA-N 310.441 4.585 50 40 DJGB C[Si](C)(C)O[Si](C)(CCC(F)(F)F)O[Si](C)(C)C 195759994 SVWGMNVDRHEOQI-UHFFFAOYSA-N 318.560 4.714 50 40 DJGB N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1 3222174 RUEKGOJCWUPARG-XYOKQWHBSA-N 317.175 4.539 50 40 DJGB O=[P@](CCl)(Nc1ccccc1)C(Cl)(Cl)Cl 3230540 JJDFPQDQZUKICR-HNNXBMFYSA-N 306.944 4.901 50 40 DJGB N#C/C(=C\c1ccc(-c2ccccc2)o1)c1nc2ccccc2[nH]1 4663956 ZGLFXVOERLLGDG-NTCAYCPXSA-N 311.344 4.887 50 40 DJGB O=C(/C=C/c1ccccc1)[C@H](Cl)[C@H](Cl)c1ccccc1 104183290 GHDKCDDHHJACMY-SFDDJJRUSA-N 305.204 4.856 50 40 DJGB N#C/C(=C\c1cccc(C#N)c1)c1nc2cc(Cl)ccc2s1 13000607 GZJAKFVBUSRUGI-NTUHNPAUSA-N 321.792 4.886 50 40 DJGB CCOc1ccc(Cl)cc1/C=C(\C#N)c1ccc(OC)cc1 408580543 CFKJWOULBWOLQX-XNTDXEJSSA-N 313.784 4.811 50 40 DJGB N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccccc1 19798662 MKBFKHCPBIFXBP-QINSGFPZSA-N 316.316 4.919 50 40 DJGB CCCC[C@@H](CC)COC(=O)/C(C#N)=C/C=C\c1ccccc1 71603473 YWZLSHJSUDBZRY-VVVAANACSA-N 311.425 4.909 50 40 DJGB Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1ccncc1 409393796 SFFXDLCRVLMGPX-WQRHYEAKSA-N 317.367 4.692 50 40 DJGB Cc1ccc(S[C@H](C)C(=O)NN=C2CCCCCCC2)cc1 409111434 CPYIGPLLLQJHTG-OAHLLOKOSA-N 318.486 4.692 50 40 DJGB Cc1cccc(CSC(Nc2ccc(F)cc2)=C(C#N)C#N)c1 547160 KSYCFRDZEGMVFC-UHFFFAOYSA-N 323.396 4.738 50 40 DJGB O=C(CCCl)c1ccc(-c2nc3ccccc3s2)s1 2557658 ILHUXJBPCOIAQF-UHFFFAOYSA-N 307.827 4.836 50 40 DJGB O=C(NCCCCCCl)Nc1ccc(Cl)c(Cl)c1 2576631 RMWAPYKLFIRCHX-UHFFFAOYSA-N 309.624 4.524 50 40 DJGB N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 33324199 CFBDDKOOUIRCQZ-VBKFSLOCSA-N 316.316 4.919 50 40 DJGB Cc1ccc2nc(/C(C#N)=C\c3c(F)cccc3Cl)[nH]c2c1 51075761 UYCLEXYKXASKPG-FLIBITNWSA-N 311.747 4.728 50 40 DJGB CCOc1ccc(Cl)cc1/C=C(/C#N)c1ccc(F)cc1 409092435 YCIUXEVQSVXNNU-ZROIWOOFSA-N 301.748 4.942 50 40 DJGB C[C@@H]1CC(C)(C)N(C(=O)CCCCl)c2ccc(Cl)cc21 223240462 STJLLOMKXHVSAR-LLVKDONJSA-N 314.256 4.978 50 40 DJGB CCOc1ccc(/C=C(\C#N)c2ccc(C)cc2)c(OCC)c1 560158 VZUNJFVPCIBTRF-LDADJPATSA-N 307.393 4.857 50 40 DJGB CN1/C(=C(\C#N)c2nc3ccccc3s2)Sc2ccccc21 101003712 YYJOFFMSNXSBCO-BOPFTXTBSA-N 321.430 4.731 50 40 DJGB COc1ccc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)cc1 16215798 CSQWWKSPWPRKIS-LFIBNONCSA-N 318.401 4.883 50 40 DJGB CCCCCCC[C@H]1C[C@@H](C(C)(C)C)CC/C1=N\NC(N)=O 111065585 YYPBCCCEEDGGDL-WMVLJVOQSA-N 309.498 4.834 50 40 DJGB COc1cc(C)c(/C=C(/C#N)c2cccc(Cl)c2)cc1OC 408549645 WDIFXJDWSMMQJX-NVNXTCNLSA-N 313.784 4.730 50 40 DJGB C[C@@H]1CCC/C(=N\NC(=O)C(c2ccccc2)c2ccccc2)C1 46117 LIGUGBCMTJASQI-UFIXSJTLSA-N 320.436 4.501 50 40 DJGB O=C(CCCC[C@H]1CCSS1)Nc1cccc2[nH]ccc12 72326304 LWXUCAQHRYULSW-LBPRGKRZSA-N 320.483 4.821 50 40 DJGB biogenic N#C/C(=C\c1cccs1)C(=O)Nc1c(Cl)cccc1Cl 1453406 JLEMKEWBYFNRPI-VQHVLOKHSA-N 323.204 4.601 50 40 DJGB CCn1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c2ccccc21 5333766 ZOLYHRRRBZWKTI-SDNWHVSQSA-N 312.376 4.602 50 40 DJGB COc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1O 6441203 RUUZTYDITXXXQU-WJDWOHSUSA-N 301.345 4.618 50 40 DJGB N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)c1ccccc1 35517392 ALNFRSDYWQZJHE-ATVHPVEESA-N 315.328 4.709 50 40 DJGB C[Si](C)(C)/C=C/CC[C@@](C=O)(CCCl)c1ccccc1 195455366 KRJQZXNTVHDNCC-AAKUMTKESA-N 308.925 4.966 50 40 DJGB Cc1cc(N2CCCC2)ccc1/C=C(\C#N)c1ccc(F)cc1 37509 ATNBIEOFSYPFFH-QGOAFFKASA-N 306.384 4.799 50 40 DJGB O=C(Oc1c(Cl)cccc1Cl)c1ccccc1CCl 159351 LRALKXSTQWUUDN-UHFFFAOYSA-N 315.583 4.951 50 40 DJGB Cc1cc(/C=C(\C#N)c2cccc(C(F)(F)F)c2)c(C)n1C 444042 IQAVZTBPZBSNOU-OVCLIPMQSA-N 304.315 4.725 50 40 DJGB C[C@@H](Cl)CSC(=O)S[C@H](Cl)C(Cl)Cl 1568388 PYQUCBXKQUPISR-WUJLRWPWSA-N 302.075 4.569 50 40 DJGB Cc1cc(C(=O)CCl)c(C)n1-c1ccc(C(F)(F)F)cc1 3399194 OJXBKPFEXZIPNN-UHFFFAOYSA-N 315.722 4.534 50 40 DJGB BrCc1cccc(-c2nc3ccccc3s2)c1 34734102 BDJIYKCQRQVFOV-UHFFFAOYSA-N 304.212 4.858 50 40 DJGB CCCCCCCCCC(=O)N/N=C\c1ccccc1Cl 104165209 SVIAUKPKXNQGQJ-RGEXLXHISA-N 308.853 4.931 50 40 DJGB N#C/C(=C/c1ccc2cccnc2c1)c1nc2ccccc2s1 84600481 PSLJWCJRUPVWPD-GDNBJRDFSA-N 313.385 4.909 50 40 DJGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NN=C1CCCCCC1 408869793 RMEMKSLUTJFGCS-GFCCVEGCSA-N 324.877 4.647 50 40 DJGB CCCCC/C(=N/NC(=O)c1ccccc1C)c1ccccc1 4066498 SSSYTJQVEOVNPA-VZCXRCSSSA-N 308.425 4.709 50 40 DJGB N#C/C(=C/c1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1 12367905 DWFAPUZCBPYRAR-FLIBITNWSA-N 319.147 4.966 50 40 DJGB BrCCCCCCCCCO[C@@H]1CCCCO1 19721501 LKEZIRZMJBUPIS-AWEZNQCLSA-N 307.272 4.655 50 40 DJGB CC[C@@H](C)c1ccc(-c2csc(NC(=O)CCl)n2)cc1 370048 VKAVIHUIDOZMNU-SNVBAGLBSA-N 308.834 4.501 50 40 DJGB C/C(=N\NC(=O)c1cccc2ccccc12)c1ccc(C)cc1C 5538338 POQVKBPUFSSWII-CJLVFECKSA-N 316.404 4.611 50 40 DJGB Cc1ccc(/C=C(/C#N)c2cccc(C#N)c2)cc1Br 6205531 BMODTLJJWVOEFU-APSNUPSMSA-N 323.193 4.693 50 40 DJGB Cc1ccccc1/C=C(\C#N)c1nc(-c2ccncc2)cs1 63412583 XWHHPRMVYXHGTO-MHWRWJLKSA-N 303.390 4.578 50 40 DJGB N#C/C(=C/c1ccc(Br)s1)c1cccc(F)c1 409392100 KYFWWBTYNUPOTR-YFHOEESVSA-N 308.175 4.714 50 40 DJGB CCCCCCCCCCCCSCCNC(=O)CCl 100934620 ISFMQWIVDJGKCK-UHFFFAOYSA-N 321.958 4.996 50 40 DJGB N#C/C(=C/c1cccc([N+](=O)[O-])c1)c1cccc2ccccc12 6496625 YXVOBVXBGSZKNX-WJDWOHSUSA-N 300.317 4.812 50 40 DJGB O=C(Cl)c1ccccc1C(=O)c1ccc(-c2ccccc2)cc1 12505099 AYRZTWPSDNSAQI-UHFFFAOYSA-N 320.775 4.964 50 40 DJGB N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1 15223093 JEQOSZQTIKTMTO-WQLSENKSSA-N 317.175 4.539 50 40 DJGB O=C(Nc1ccccc1Sc1ccccc1)C(Cl)Cl 6603209 ZPDSZHXWYKWZKE-UHFFFAOYSA-N 312.221 4.580 50 40 DJGB CCOP(=O)(OCC)/C(C#N)=C/c1ccc2ccccc2c1 1634976 IGMRRTIUXDAZGC-SFQUDFHCSA-N 315.309 4.970 50 40 DJGB O=C(Cl)/C=C/c1ccc(-c2ccccc2C(F)(F)F)o1 8729537 IXXUZMWTAIHHOU-SOFGYWHQSA-N 300.663 4.744 50 40 DJGB Cc1cc(-c2ccc(C(=O)Cl)o2)c(C)cc1Br 45957902 JBFCTCAFQPIJHY-UHFFFAOYSA-N 313.578 4.705 50 40 DJGB COc1ccc2c(c1)[C@@H]1c3ccccc3[C@@H]2[C@H](Cl)[C@@H]1Cl 104012805 AWOQBDWSBHNCDK-LUKYLMHMSA-N 305.204 4.501 50 40 DJGB CC[C@H](C)[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104056920 UKPZLYUKOZRZKY-IBGZPJMESA-N 320.416 4.511 50 40 DJGB O=[N+]([O-])c1ccc(SSC(Cl)(Cl)Cl)cc1 1751124 URBBFZPSNDVVEQ-UHFFFAOYSA-N 304.607 4.663 50 40 DJGB N#C/C(=C/c1ccnc2ccccc12)c1nc2ccccc2s1 9060635 XSCNZDSXNPWAFY-KAMYIIQDSA-N 313.385 4.909 50 40 DJGB O=C(Nc1cccc(C(F)(F)F)c1)[C@H](Cl)c1ccccc1 3154984 HWONRNRNHBUEMB-CYBMUJFWSA-N 313.706 4.624 50 40 DJGB CCCC[C@H](Br)[C@@H](Br)CCCC 98175120 GRHWTEWNWUYZGF-UWVGGRQHSA-N 300.078 4.894 50 40 DJGB N#C/C(=C\Nc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 12558847 ULDSFTZSSFJPAN-SDNWHVSQSA-N 321.380 4.926 50 40 DJGB C[C@]12CCCC[C@@H]1CC[C@H]1[C@@H]3CC[C@@](O)(C#N)[C@@]3(C)CC[C@H]12 80433918 GYZIETHYKFOHGQ-VSKDJGRCSA-N 301.474 4.674 50 40 DJGB COc1cccc(-c2csc(/C(C#N)=C\c3ccc(C)o3)n2)c1 4175169 IEPYCUYWYQJKQJ-ZROIWOOFSA-N 322.389 4.784 50 40 DJGB Cc1csc(/C(C#N)=C\c2ccc(COc3ccccc3)o2)n1 6925364 QSYNBNPSMBGEEB-ZROIWOOFSA-N 322.389 4.688 50 40 DJGB Cc1ccccc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1C 7210444 WJRYPGSBBACURK-OQLLNIDSSA-N 310.784 4.503 50 40 DJGB C[C@@H]([C@@H](Cl)c1cccc(C(F)(F)F)c1)N(C)CCCl 4743352 GUZMQMASNZQWCQ-JOYOIKCWSA-N 314.178 4.544 50 40 DJGB CC(C)=CCC/C(C)=C\C=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1 4587680 LJARHXKXELULFY-LMOOPZSOSA-N 310.441 4.585 50 40 DJGB CC(C)c1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 5413331 LTIFBWOASQMWAP-UOEVCUDDSA-N 318.420 4.594 50 40 DJGB Cc1ccsc1/C=C(/C#N)c1cccc(Br)c1 15229425 MKTKKGVGFAOPEZ-WQLSENKSSA-N 304.212 4.883 50 40 DJGB [C-]#[N+][C@@H](c1cccc2ccccc12)S(=O)(=O)c1ccc(C)cc1 95686557 XNQLKDGDEHNGMI-LJQANCHMSA-N 321.401 4.540 50 40 DJGB Cc1ccsc1/C=C(\C#N)C(=O)Nc1c(C)cccc1Cl 408926151 VNTMPCIDBSYPMA-XYOKQWHBSA-N 316.813 4.564 50 40 DJGB O=C(CSc1ccc(Cl)cc1)NN=C1CCCCCCC1 126552 HEGUBNDSSZHYJI-UHFFFAOYSA-N 324.877 4.649 50 40 DJGB CSC(=CC(=C(C#N)C#N)c1ccc(Cl)cc1)SC 2170018 BNFKZBHTAFDETD-UHFFFAOYSA-N 306.843 4.708 50 40 DJGB N#CC(C#N)=Cc1cccc(OCc2cccc3ccccc23)c1 58822431 ZTYMTMNNOWPDOL-UHFFFAOYSA-N 310.356 4.849 50 40 DJGB N#C/C(=C/c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12 6496604 XMOUWCFFJXTKGM-VBKFSLOCSA-N 300.317 4.812 50 40 DJGB CC(C)C1CCC(/C=C(/C#N)C2CCC([N+](=O)[O-])CC2)CC1 17023196 TXBIUVMANAJAFT-BOPFTXTBSA-N 304.434 4.734 50 40 DJGB CC(C)(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1 3254301 HGNQRXQIGJIDJL-NTCAYCPXSA-N 322.383 4.669 50 40 DJGB O=C(CCCl)Nc1cccc(-c2nc3ccccc3s2)c1 39440136 FPDAJIVAMCWJIX-UHFFFAOYSA-N 316.813 4.531 50 40 DJGB CCOc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1Cl 169963705 OFQGSMNZYNKGQA-LCYFTJDESA-N 323.783 4.679 50 40 DJGB CCCc1cc(C(=O)N/N=C2\C[C@@H]3CC[C@@]2(C)C3(C)C)cs1 17054756 ZNHWQJQPQYULGI-HHGQUUIGSA-N 318.486 4.633 50 40 DJGB N#C/C(=C\c1ccc(O)cc1)c1nc(-c2ccccc2)cs1 14112362 WGTLXOCCZJTFIX-XNTDXEJSSA-N 304.374 4.580 50 40 DJGB Cc1ccc(-c2nc(CCl)nc3sc4c(c23)CCC4)cc1 12788356 DMWHMFOBBDFFHS-UHFFFAOYSA-N 314.841 4.894 50 40 DJGB C[C@H](C(=O)Nc1ccc(SC#N)c(Cl)c1)c1ccccc1 95471100 LMJYIVXTPBVWBG-NSHDSACASA-N 316.813 4.655 50 40 DJGB CCCCCCCCCCCC(=O)N/N=C(\C)c1ccncc1 102208543 FVYGEKQGMKUNSM-HEHNFIMWSA-N 317.477 4.843 50 40 DJGB COc1ccc(/C=C(/C#N)c2ccc(Br)cc2)cc1 33285671 CRCZMXPHIXPEHL-UVTDQMKNSA-N 314.182 4.522 50 40 DJGB O=C(Cl)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 49920121 QODOOPYKKVRIHV-UHFFFAOYSA-N 309.070 4.998 50 40 DJGB CCCCC/C(=N\NC(=O)C1[C@@H]2CCCC[C@@H]12)c1ccccc1 102979196 XKTZGTIOKINIRP-HSLLHTKSSA-N 312.457 4.523 50 40 DJGB CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CC[C@@H]1O 14685541 CYVVUYORRQQAQE-AWSMFEJASA-N 300.442 4.688 50 40 DJGB in-vitro CC(C)(C)c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1 4596777 FCDXPDYJPIXBKD-NTCAYCPXSA-N 301.393 4.925 50 40 DJGB COc1ccc(Cl)cc1/C=C(/C#N)c1nc2cc(C)ccc2[nH]1 5285963 YQBIBBURWPAJBT-JYRVWZFOSA-N 323.783 4.598 50 40 DJGB CSC1=C(C#N)[C@H](c2ccccc2C)C2=C(O)CCCC2=N1 104171425 ZKZPXHSHSVABAF-INIZCTEOSA-N 310.422 4.627 50 40 DJGB N#C/C(=C/c1cc(Br)cs1)c1cccc(F)c1 409393098 OYHWOJZLIORSQW-YHYXMXQVSA-N 308.175 4.714 50 40 DJGB C/C(=N\NC(=O)[C@@H]1[C@@H]2CCCC[C@]21C)c1cccc2ccccc12 107876863 GTKCWFBFESFDIY-XBIPBOLFSA-N 320.436 4.506 50 40 DJGB CCCOc1ccc(/C=C(\C#N)c2ccccn2)c(OCCC)c1 5560693 VTENSLNMIQLNFG-GHRIWEEISA-N 322.408 4.723 50 40 DJGB CC(C)(CCl)C(=O)c1ccc(Br)c(Cl)c1 308791496 DFOVBKNOFSZQCP-UHFFFAOYSA-N 310.018 4.550 50 40 DJGB CCOc1ccc(Cl)cc1/C=C(\C#N)c1nc2ccccc2[nH]1 408820751 ZOWZHERWQMRLSD-UKTHLTGXSA-N 323.783 4.679 50 40 DJGB C/C(=N\NC(=O)c1ccc2ccccc2c1)c1cc(C)ccc1C 408599719 YZJMVLABZOEVGJ-CJLVFECKSA-N 316.404 4.611 50 40 DJGB C=CCn1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c2ccccc21 409384025 WPKRBORRWBNCNX-NTCAYCPXSA-N 324.387 4.768 50 40 DJGB Cc1ccc(NC(=O)/C(C#N)=C/c2cccc3ccccc23)cc1 52408 RYECXQBXJHAJCO-QGOAFFKASA-N 312.372 4.694 50 40 DJGB CC(C)(C)c1ccc(C(=O)NN=C2C3CC4CC(C3)CC2C4)cc1 5903908 OQQAMLPDWMCMLU-UHFFFAOYSA-N 324.468 4.526 50 40 DJGB C/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1cc(C)ccc1C 59922540 IGMKNYUHECDMOP-CJLVFECKSA-N 322.452 4.755 50 40 DJGB N#C/C(=C/c1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 408585441 DTLZHXHUCXCBQH-GHXNOFRVSA-N 319.147 4.966 50 40 DJGB Cc1ccc2[nH]c(/C(C#N)=C/c3c(F)cccc3Cl)nc2c1 5530177 UYCLEXYKXASKPG-DHZHZOJOSA-N 311.747 4.728 50 40 DJGB Fc1ccccc1-c1nc2ccc(CBr)cc2s1 73740270 UNUKCYZGOYGUIN-UHFFFAOYSA-N 322.202 4.997 50 40 DJGB CC/C(=C(/C#N)c1ccc(OC)cc1)c1ccc(N(C)C)cc1 1717628 GWDIOVUCOXILCO-FMQUCBEESA-N 306.409 4.606 50 40 DJGB Cc1cc(-c2ccc(C(=O)Cl)o2)cc(C)c1Br 45888691 NJNPXNWOWHDJRX-UHFFFAOYSA-N 313.578 4.705 50 40 DJGB CC(C)C(=NNC(=O)c1sc2ccccc2c1Cl)C(C)C 334778 RNSQKEHMVFLIOV-UHFFFAOYSA-N 322.861 4.953 50 40 DJGB CCOc1ccc(Cl)cc1/C=C(\C#N)c1cccc(F)c1 409390627 GHBHJCAYPHZOJZ-RIYZIHGNSA-N 301.748 4.942 50 40 DJGB CCc1ccc(/C(C#N)=C\c2ccc(N(C)CCC#N)cc2)cc1 5011924 QLHUIGPODUSVKI-HKWRFOASSA-N 315.420 4.663 50 40 DJGB Cc1cccc(C)c1NC(=O)O[C@H]1C[C@H](Cl)CC[C@@H]1Cl 4793114 VIGOWEUNSHIZOT-AGIUHOORSA-N 316.228 4.619 50 40 DJGB O=C(CCCC[C@H]1CCSS1)N[C@H]1CCc2ccccc21 22700199 ILIPGLHGIYTKPU-HOCLYGCPSA-N 321.511 4.504 50 40 DJGB COc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(Cl)c1O 408598796 JUDCICAEBALPKT-XGICHPGQSA-N 320.175 4.772 50 40 DJGB C/C(=N/NC(=O)C1CCC(C(C)(C)C)CC1)[C@H]1C[C@H]2CC[C@@H]1C2 4507180 FJKGFTBWQSAQEC-NFOFQNEFSA-N 318.505 4.767 50 40 DJGB Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1C(C)C 6418780 QPTVUXYYSUEJCG-MFOYZWKCSA-N 309.369 4.658 50 40 DJGB Cc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)s1 7210463 MEBKECMAJCASIU-KPKJPENVSA-N 316.813 4.564 50 40 DJGB C/C(=N\NC(=O)C1CCC(C(C)(C)C)CC1)[C@H]1C[C@H]2CC[C@@H]1C2 20157996 FJKGFTBWQSAQEC-PIIWOWSESA-N 318.505 4.767 50 40 DJGB O=C(c1sccc1Br)[C@@H](Cl)c1ccccc1 88112026 WMRFOPOQFOXPOK-JTQLQIEISA-N 315.619 4.673 50 40 DJGB BrCCC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 100496698 SGXXYLWOJZKRCA-QYNFOATHSA-N 322.084 4.505 50 40 DJGB Cc1sc(-c2ccccc2Cl)nc1CBr 225964832 GWPWLFORZPYOJL-UHFFFAOYSA-N 302.624 4.667 50 40 DJGB COc1cc(/C=C(\C#N)c2ccccn2)ccc1OCCC(C)C 5128569 ZEFOXQSFYMDXNQ-SFQUDFHCSA-N 322.408 4.579 50 40 DJGB N#C/C(=C\Nc1ccc(F)cc1)c1nc(-c2ccccc2)cs1 5044182 ULTIKQOGMZNCMM-SDNWHVSQSA-N 321.380 4.926 50 40 DJGB Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1C(C)C 8334068 TXGPHPSPQJXPME-YVLHZVERSA-N 309.369 4.658 50 40 DJGB CCc1cccc2c(C=C(C#N)C#N)cn(Cc3ccccc3)c12 798083 RSCMKKRZPWLUBE-UHFFFAOYSA-N 311.388 4.683 50 40 DJGB CC[C@H](C)c1ccc(-c2csc(NC(=O)CCCl)n2)cc1 2754016 ZCXTWLLFBNKGBY-NSHDSACASA-N 322.861 4.891 50 40 DJGB Cc1cccc(-n2cccc2/C=C(/C#N)c2cccc(F)c2)c1 409391878 KDANEELVRDDREJ-LGMDPLHJSA-N 302.352 4.989 50 40 DJGB CC(C)c1ccc(C(=O)OC(=O)c2ccc(C(C)C)cc2)cc1 104050894 QPDBBNVDVHEAGP-UHFFFAOYSA-N 310.393 4.931 50 40 DJGB O=Cc1cc(S(F)(F)(F)(F)F)ccc1Br 169807231 MLVDLDYLONSRDU-UHFFFAOYSA-N 311.069 4.919 50 40 DJGB CC(C)c1ccc(N(CC2CCCCC2)C(=O)CCl)cc1 199757384 VCUDXPJXKGDFMR-UHFFFAOYSA-N 307.865 4.962 50 40 DJGB CNc1ccc(F)cc1SSc1cc(F)ccc1NC 1872006 MBGXLTQUIOPMFJ-UHFFFAOYSA-N 312.410 4.848 50 40 DJGB N#C/C(=C\c1ccc2c3c(cccc13)CC2)c1nc2ccccc2[nH]1 4694646 NLTMHVBWFBZZIU-SFQUDFHCSA-N 321.383 4.879 50 40 DJGB N#C/C(=C/c1ccsc1)C(=O)Nc1cc(Cl)ccc1Cl 6414236 BWKGPUYFXNTROL-YHYXMXQVSA-N 323.204 4.601 50 40 DJGB N#C/C(=C\C=C\c1ccccc1)Sc1nc2ccccc2[nH]1 408599751 ZHZWBJFLPHGVHF-UJHPFZFGSA-N 303.390 4.776 50 40 DJGB Cc1csc(/C(C#N)=C/c2csc(-c3cccs3)n2)n1 96298209 FOGSFUANTFSFLA-BJMVGYQFSA-N 315.448 4.701 50 40 DJGB O=C(CCCCl)c1cc(C(F)(F)F)ccc1C(F)(F)F 575360078 CORZJABOWVLDGQ-UHFFFAOYSA-N 318.644 4.926 50 40 DJGB C[C@H]1CCC/C(=N\NC(=O)C(c2ccccc2)c2ccccc2)C1 12403934 LIGUGBCMTJASQI-QKDOTCOFSA-N 320.436 4.501 50 40 DJGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)s2)cc1C 59133180 NBHYVYJHOKYLTC-WQLSENKSSA-N 316.813 4.564 50 40 DJGB CCCCCCCCCC(=O)N/N=C/c1ccccc1Cl 104165215 SVIAUKPKXNQGQJ-XMHGGMMESA-N 308.853 4.931 50 40 DJGB ClCc1ccccc1OCCOc1ccccc1CCl 219820704 QNRAATZXBLZOSA-UHFFFAOYSA-N 311.208 4.622 50 40 DJGB Cc1cc(/C=C(/C#N)c2ccc(F)cc2)c(C)n1-c1ccncc1 15013695 PKELDDLCVNMZIX-PDGQHHTCSA-N 317.367 4.692 50 40 DJGB CCOc1ccc(/C=C(/C#N)c2ccc(Cl)cc2)cc1OC 409356314 GEWHOHFDTTXBGM-GDNBJRDFSA-N 313.784 4.811 50 40 DJGB COc1ccc(/C=C(/C#N)c2ccccc2)cc1Br 409359210 ADFPYTUFQLZHTH-ZROIWOOFSA-N 314.182 4.522 50 40 DJGB CC(C)(C)OC(=O)N1C[C@H](CCl)c2c1ccc1ccccc21 33993027 LITLNICSYVUFSG-ZDUSSCGKSA-N 317.816 4.917 50 40 DJGB in-vitro CSc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc1 211805117 XXGZIRSICQSMOQ-WJDWOHSUSA-N 322.433 4.571 50 40 DJGB CC[C@@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2ccc(C)cc2)o1 2669714 FGMVTVVXBHDOAP-DSQDWWTGSA-N 309.365 4.504 50 40 DJGB N#C/C(=C\c1cccnc1)c1nc(-c2ccc(Cl)cc2)cs1 3900828 FIIUHQMCJHIPLB-RIYZIHGNSA-N 323.808 4.923 50 40 DJGB O=C(Cl)c1ccc(-c2nc3ccccc3s2)cc1Cl 20154439 FZYPRSPUFVJWBZ-UHFFFAOYSA-N 308.189 4.996 50 40 DJGB O=C(/C=C\c1ccc(OCCCCl)cc1)c1ccccc1 13406558 LNSFMSLLKMWYOR-XFXZXTDPSA-N 300.785 4.590 50 40 DJGB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=C/C#N 118924547 WFCZGXIUCMFHSX-IHJFQJIVSA-N 311.469 4.760 50 40 DJGB CCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104162917 WIHCMLPZVONTMY-UHFFFAOYSA-N 320.416 4.513 50 40 DJGB N#C/C(=C1\C=C/C(=N/O)c2ccccc21)c1ccc(Cl)cc1 104257847 DGDRKPDZPJGAOV-RVHOYEEFSA-N 306.752 4.522 50 40 DJGB N#CC(C#N)=C/C=C1\C=C(c2ccccc2)C=C(c2ccccc2)O1 1554502662 XKIKKRYIVGGRSX-CIAFOILYSA-N 322.367 4.999 50 40 DJGB Cc1cc2nc(/C(C#N)=C/c3ccc(Cl)cc3)[nH]c2cc1C 76536485 LHLYKWKPBHLBGQ-NTEUORMPSA-N 307.784 4.897 50 40 DJGB Cc1cc(C(=O)Cl)cc(C)c1OC(=O)c1ccccc1Cl 256052100 LXODKPHWATULAI-UHFFFAOYSA-N 323.175 4.555 50 40 DJGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)c1ccccc1 408814804 HSKAHMSCVIEXSC-XDJHFCHBSA-N 309.368 4.916 50 40 DJGB C[C@H]1Cc2cc(/C=C(\C#N)c3nc4ccccc4s3)ccc2O1 5390727 CHYWMJDKEURXAT-XBUHWIKASA-N 318.401 4.684 50 40 DJGB O=C(Cl)C/C=C1\c2ccccc2CSc2ccccc21 100715708 GMIOXOKYCKGFMB-NTEUORMPSA-N 300.810 4.880 50 40 DJGB CC1(C)OC12[C@@H]1C3=C([C@H](Cl)C=C[C@@H]3Cl)[C@H]2c2ccccc21 104294158 JSEYTPMVKKYTJC-ZTAGOEDWSA-N 319.231 4.510 50 40 DJGB O=C(CC1CCCC1)NNc1c(Cl)cc(Cl)cc1Cl 3333206 NHNXFDWCPJODSM-UHFFFAOYSA-N 321.635 4.670 50 40 DJGB C/C(=N\NC(=O)C1CCC(C(C)(C)C)CC1)[C@H]1C[C@H]2CC[C@H]1C2 102412964 FJKGFTBWQSAQEC-SQJQEVHPSA-N 318.505 4.767 50 40 DJGB C/C(=N/NC(=O)c1ccc(Cl)cc1)c1cccc2ccccc12 33305553 BCLRMJUPNNUYHW-BKUYFWCQSA-N 322.795 4.647 50 40 DJGB CCCc1c(C(=O)Cl)cnn1-c1cc(Cl)cc(Cl)c1 2582823 TZOYLCXIRKLUQO-UHFFFAOYSA-N 317.603 4.511 50 40 DJGB C[C@H](/C=N/NC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 4155503 SAFXMOKXWQFWMP-VURRPDKYSA-N 321.207 4.513 50 40 DJGB N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1ccccc1F 5777362 KJRVYIWQMLZMOU-FOWTUZBSSA-N 316.335 4.525 50 40 DJGB FC(F)(F)c1ccc(Br)c(CCCCl)c1 199549710 GALUCIXGNMWKBV-UHFFFAOYSA-N 301.533 4.639 50 40 DJGB Cc1ccc(OC[C@@H](C)N(CCCl)Cc2ccccc2)cc1 1673602 VCFQLLIMAQUHHX-QGZVFWFLSA-N 317.860 4.503 50 40 DJGB O=C(Nc1ccccc1)NN(c1ccccc1)c1ccccc1 6927553 ZKGUDOAQHDSPDV-UHFFFAOYSA-N 303.365 4.561 50 40 DJGB CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=O)C(C)(C)C[C@@H](O)C1 34206298 QPRQNCDEPWLQRO-JSACGSAESA-N 300.442 4.688 50 40 DJGB O=[N+]([O-])c1ccc(Oc2ccc(CCl)cc2F)c(Cl)c1 38081095 OHXXKXKETDRRLJ-UHFFFAOYSA-N 316.115 4.918 50 40 DJGB Cc1ccc2nc(/C(C#N)=C\c3ccc(OC(C)C)cc3)[nH]c2c1 34897901 IKQOPHOCBFJSAB-WJDWOHSUSA-N 317.392 4.723 50 40 DJGB CCCCCCCCNC(=O)/C(C#N)=C/c1ccc(Cl)cc1 3242891 KPJPHHFVBPMDCX-DTQAZKPQSA-N 318.848 4.724 50 40 DJGB N#C/C(=C/c1cccs1)c1nc(-c2cccs2)cs1 3995662 VVZUYJXZICMASK-YFHOEESVSA-N 300.433 4.997 50 40 DJGB CC[C@H](C)Oc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1 7078211 QBCRYOLWIUKUMG-VMOJBDSFSA-N 322.364 4.836 50 40 DJGB CCCCCCCC(=O)Oc1ccc(CBr)cc1 1772820772 LCMINUZSGAVNAH-UHFFFAOYSA-N 313.235 4.847 50 40 DJGB CCCCC/C(=N\NC(=O)C1[C@H]2CCCC[C@@H]12)c1ccccc1 4471506 XKTZGTIOKINIRP-ZOINQODJSA-N 312.457 4.523 50 40 DJGB C/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccc2ccccc2c1 4547906 FHLDMVXLIRESTA-FYJGNVAPSA-N 322.795 4.647 50 40 DJGB CCc1ccc(/C(C#N)=C/c2ccc(N(C)CCC#N)cc2)cc1 1735967 QLHUIGPODUSVKI-HMMYKYKNSA-N 315.420 4.663 50 40 DJGB Cc1ccccc1NC(=O)C(C#N)=C1CCC(C(C)(C)C)CC1 6318972 UGIFKTJFSIDUSM-UHFFFAOYSA-N 310.441 4.990 50 40 DJGB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](Cl)CC[C@@]43C)[C@@H]1CC[C@@H]2O 30729226 HYYXUOULPYGCRM-LOVVWNRFSA-N 308.893 4.918 50 40 DJGB biogenic,in-vitro O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(CCl)cc1 37343070 FVCREYCDYDSGKK-UHFFFAOYSA-N 314.599 4.985 50 40 DJGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(C(C)(C)C)cc1 211438974 WQCLOZYLXXMSLU-LGMDPLHJSA-N 318.420 4.838 50 40 DJGB Cc1cc(N2CCCC2)c(C)cc1/C=C(/C#N)c1ccccc1 15013686 CYNFPCNZSDZJKB-ZHZULCJRSA-N 302.421 4.968 50 40 DJGB O=C(/C=C\c1ccccc1)c1ccc(OCCCCl)cc1 33378733 UYRYKNAEPZCVNX-GHXNOFRVSA-N 300.785 4.590 50 40 DJGB COc1ccc(F)cc1SSc1cc(F)ccc1OC 346375 WVGWHACRJBKRBO-UHFFFAOYSA-N 314.378 4.781 50 40 DJGB FC(F)(F)Oc1cc(Cl)c(CBr)c(Cl)c1 12359264 ZHLKYFQGUSHCIH-UHFFFAOYSA-N 323.923 4.787 50 40 DJGB CCc1ccc(/C(C)=N\NC(=O)c2ccc(C(C)(C)C)cc2)cc1 23410864 RKMZHMBALSMHMN-JCMHNJIXSA-N 322.452 4.701 50 40 DJGB Fc1ccc2c(Br)c(CBr)ccc2c1 2243879 HKVCFWDGTSUHCI-UHFFFAOYSA-N 317.983 4.636 50 40 DJGB O=C(CCl)Nc1cc(-c2ccccc2)[nH]c1-c1ccccc1 4113384 IZKILFDPVRJYMZ-UHFFFAOYSA-N 310.784 4.526 50 40 DJGB CCOc1ccc(/C=C(/C#N)c2ccccc2F)cc1OCC 6657102 BBYXGAOQJSDFAW-PTNGSMBKSA-N 311.356 4.687 50 40 DJGB ICCCCCCCc1ccccc1 71256920 NQVOWCZWXJMQFV-UHFFFAOYSA-N 302.199 4.615 50 40 DJGB COc1ccc(-n2cccc2/C=C(\C#N)c2ccccc2)cc1 4674084 YCFXIZXEXHHHFT-SAPNQHFASA-N 300.361 4.550 50 40 DJGB Fc1ccccc1-c1nc2cc(CBr)ccc2o1 216791040 SLFXPUPLYHKRIA-UHFFFAOYSA-N 306.134 4.529 50 40 DJGB CCOc1ccccc1/C=C(\C#N)c1nc2cc(C)c(C)cc2[nH]1 76537582 SLZIDDOOTFUTBS-LFIBNONCSA-N 317.392 4.643 50 40 DJGB CCOc1cccc2c1CC[C@H](O[Si](C)(C)C(C)(C)C)C2 195752689 ISYWNNLBYBNCRU-HNNXBMFYSA-N 306.522 4.964 50 40 DJGB C=CCc1cc(/C=C(/C#N)c2cccc(F)c2)cc(OCC)c1O 409389945 CZDHXIHGTSAVGQ-YVLHZVERSA-N 323.367 4.723 50 40 DJGB C[C@@H]1CCC/C(=N/NC(=O)c2ccc(-c3ccccc3)cc2)C1 586986 PHHOFHHCCHNUTJ-DSGGYQJVSA-N 306.409 4.650 50 40 DJGB Cc1cc(OCc2ccccc2)ccc1C(=O)CCCCl 83140394 PREWNIDRLYMNNK-UHFFFAOYSA-N 302.801 4.776 50 40 DJGB N#C/C(=C\c1cccc2ccccc12)c1nc(O)c2ccccc2n1 3945070 CJTQGFLUSHFMEF-FOWTUZBSSA-N 323.355 4.553 50 40 DJGB CC(C)c1cc(Cl)cc2sc(NC(=O)[C@H](C)Cl)nc12 20132026 LIXTZQMPCNUTKL-ZETCQYMHSA-N 317.241 4.639 50 40 DJGB O=C(Cl)c1ccc(-c2ccc(Cl)cc2Br)o1 20160479 PVIWVBWFUCKDBK-UHFFFAOYSA-N 319.969 4.742 50 40 DJGB O=C(Cl)/C=C/c1cccc(OCc2ccccc2Cl)c1 217704897 ZSLMUUQQGXNALB-CMDGGOBGSA-N 307.176 4.698 50 40 DJGB N#C/C(=C\c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl 5131289 KQFGXLDPQUVMIJ-FMIVXFBMSA-N 317.175 4.539 50 40 DJGB CCc1ccc(/C(C)=N/NC(=O)c2cccc3ccccc23)cc1 5477240 FNYCCDIJWCYINI-PXLXIMEGSA-N 316.404 4.556 50 40 DJGB ClCc1nc2ccccc2n1C12CC3CC(CC(C3)C1)C2 20592484 JRXGLJBTZPOYJQ-UHFFFAOYSA-N 300.833 4.700 50 40 DJGB CCOc1cc(/C=C/C#N)ccc1OCc1cccc(Cl)c1 6207396 BOJSWDOODZXSGW-GQCTYLIASA-N 313.784 4.854 50 40 DJGB C/C(=N\NC(=O)c1cccs1)c1ccc(-c2ccccc2)cc1 12572656 YXVVWGFHHVRQAW-XSFVSMFZSA-N 320.417 4.569 50 40 DJGB COc1ccc2cc(/C=C(\C#N)C(=O)c3ccsc3)ccc2c1 44028037 VUKDJZYVYOWKGC-RQZCQDPDSA-N 319.385 4.700 50 40 DJGB CCCCCCCCNC(=O)/C(C#N)=C\c1ccc(Cl)cc1 102989965 KPJPHHFVBPMDCX-SSZFMOIBSA-N 318.848 4.724 50 40 DJGB N#C/C(=C\c1ccccc1Cl)Sc1nc2ccccc2[nH]1 408599593 XCBRXRDZMSFIPS-FMIVXFBMSA-N 311.797 4.873 50 40 DJGB BrCCCCCCCCCO[C@H]1CCCCO1 19721503 LKEZIRZMJBUPIS-CQSZACIVSA-N 307.272 4.655 50 40 DJGB CCCCCCCC(=O)N/N=C/c1c(Cl)cccc1Cl 3155918 YNUAHDQUIBQCLN-WOJGMQOQSA-N 315.244 4.804 50 40 DJGB Cc1cc2c(cc1C)N(C(=O)CCCCl)C(C)(C)C[C@@H]2C 223240892 XFYCUEYXERXSHF-AWEZNQCLSA-N 307.865 4.941 50 40 DJGB CC(C)COC(=O)/C(C#N)=C\c1cccc(Oc2ccccc2)c1 5188531 JNHYAAOJKHUKOW-BOPFTXTBSA-N 321.376 4.585 50 40 DJGB CC[C@@H]1CCC/C1=N\NC(=O)c1ccc(-c2ccccc2)cc1 578674 FZHHMXSJFAKPOX-RLBWVDARSA-N 306.409 4.650 50 40 DJGB C[C@@H]1CCc2nc(/C(C#N)=C\c3ccc(Cl)cc3)sc2C1 8844877 AOEWXDASOHRGBK-NASPGAHYSA-N 314.841 4.985 50 40 DJGB C[C@@H]1CCCC/C1=N\NC(=O)c1sc2ccccc2c1Cl 13549290 ANQSBXVPHRZJRQ-LFAWPXTESA-N 320.845 4.851 50 40 DJGB COc1ccc(/C(C#N)=C/c2c(OC)ccc3ccccc23)cc1 408580848 FBLZSGMBTNUAFS-GHRIWEEISA-N 315.372 4.921 50 40 DJGB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](Cl)CC[C@@]43C)[C@@H]1CC[C@@H]2O 118927590 HYYXUOULPYGCRM-KYQPOWKGSA-N 308.893 4.918 50 40 DJGB CCCCCC[C@@H](I)CC(F)(F)F 98210395 RXRJRZOFHOIBLX-MRVPVSSYSA-N 308.125 4.713 50 40 DJGB O=C(CCl)Nc1ccccc1Sc1ccc(Cl)cc1 3268242 ZOHWUQLZHKWGQT-UHFFFAOYSA-N 312.221 4.669 50 40 DJGB O=C(NN=C1CCCCC1)c1cc2c(ccc3ccccc32)o1 32124758 KLSZQUGAPRQKCG-UHFFFAOYSA-N 306.365 4.636 50 40 DJGB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(CCl)cc1 37342986 QBPPHOFCJXGQGE-UHFFFAOYSA-N 314.599 4.985 50 40 DJGB Cc1cc(C)c(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)c(C)c1 107683982 UTAVURLUHDPEPJ-YBEGLDIGSA-N 301.393 4.861 50 40 DJGB Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CCl)cc1 32626758 KTSMGEJJLIUPSS-UHFFFAOYSA-N 310.180 4.618 50 40 DJGB in-vitro Cc1cc(C)c(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)c1 408568535 KIIBWGATASOTGY-ZSOIEALJSA-N 305.356 4.691 50 40 DJGB CN(C)c1ccc(-n2cccc2/C=C(\C#N)c2ccccc2)cc1 4663586 FNWCQGABLJSJGO-OBGWFSINSA-N 313.404 4.607 50 40 DJGB N#CC(C#N)=C/C=C(\Sc1ccccn1)c1ccc(Cl)cc1 5395317 WMCMJFNCESKGSB-SXGWCWSVSA-N 323.808 4.842 50 40 DJGB CCCC/C(C)=N/NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 408728101 VLQNMBOZDUOUNQ-PBSOMRJOSA-N 312.866 4.503 50 40 DJGB CCCCCC(=C/c1ccccc1)/C=N/NC(=O)c1ccco1 3149481 BXESCMBGOZQCJG-KIYPBSQKSA-N 310.397 4.659 50 40 DJGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)s2)c(C)c1 209886281 SVMAFZJCFAUGBU-WQLSENKSSA-N 316.813 4.564 50 40 DJGB CC[C@@H](C)c1ccc(-c2csc(NC(=O)CCCl)n2)cc1 2754015 ZCXTWLLFBNKGBY-LLVKDONJSA-N 322.861 4.891 50 40 DJGB O=C(Cl)c1ccccc1OCc1ccc(Cl)c(Cl)c1 40451522 LEWMGUAWUSJSKR-UHFFFAOYSA-N 315.583 4.951 50 40 DJGB FC(F)(F)C(F)(F)P(Cl)C(F)(F)C(F)(F)F 95698303 CRMISLQQSOAARX-UHFFFAOYSA-N 304.451 4.932 50 40 DJGB O=C(CCCC[C@H]1CCSS1)N[C@@H]1CCc2ccccc21 22700195 ILIPGLHGIYTKPU-GOEBONIOSA-N 321.511 4.504 50 40 DJGB FC(F)(F)c1cc(CCBr)cc(C(F)(F)F)c1 89065419 QQEAGUOAOUVLNK-UHFFFAOYSA-N 321.058 4.662 50 40 DJGB COc1ccc(/C=C(\C#N)c2cc(-c3ccco3)cs2)cc1O 4540101 VQZNVLRFHVUMRT-NTUHNPAUSA-N 323.373 4.786 50 40 DJGB CCCC[C@H](CC)COC(=O)/C(C#N)=C\C=C\c1ccccc1 86862246 YWZLSHJSUDBZRY-IJNFYEQRSA-N 311.425 4.909 50 40 DJGB N#C/C(=C/c1ccc(O)cc1)c1nc(-c2ccccc2)cs1 4785032 WGTLXOCCZJTFIX-GDNBJRDFSA-N 304.374 4.580 50 40 DJGB CCC[C@@H](Br)C(=O)c1ccc(Cl)cc1Cl 22009989 JBSBNKITSSDICA-SECBINFHSA-N 310.018 4.740 50 40 DJGB CCC[C@H](Br)C(=O)c1ccc(Cl)cc1Cl 22009993 JBSBNKITSSDICA-VIFPVBQESA-N 310.018 4.740 50 40 DJGB Cl[C@H](CCBr)c1ccc(Br)cc1 100029601 UPYHWNDOGRRPRA-SECBINFHSA-N 312.432 4.514 50 40 DJGB CC(C)(C)C1CCC(=NNC(=O)c2cccc(Cl)c2)CC1 5383603 URJXUHKBFMKBFH-UHFFFAOYSA-N 306.837 4.662 50 40 DJGB CC(C)(C)[Si](C)(C)OC[C@H]1CCc2cc3c(c(N)c21)CCC3 2113448349 CBPPWYJNBKWVIL-OAHLLOKOSA-N 317.549 4.809 50 40 DJGB N#C/C(=C\c1c2ccccc2c(Cl)c2ccccc12)C(N)=S 1562523 QGOTVEDVAIDXCC-PKNBQFBNSA-N 322.820 4.839 50 40 DJGB CC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)C/C=C(\C=O)CC(=O)O 14927712 RRVWWISJQFUJSD-JDPHGFFSSA-N 318.457 4.775 50 40 DJGB biogenic,in-vitro COc1cc(Cl)c(/C=C(/C#N)c2cccc(F)c2)cc1OC 409389530 BWBQFGWSEAVKIW-MLPAPPSSSA-N 317.747 4.560 50 40 DJGB C[C@@H](Cl)CSC(=O)S[C@@H](Cl)C(Cl)Cl 1568390 PYQUCBXKQUPISR-NQXXGFSBSA-N 302.075 4.569 50 40 DJGB CCCCOc1ccc(/C=C(\C#N)C(=O)c2ccccc2)cc1 5951570 SJXPMTBKRXLJMU-NBVRZTHBSA-N 305.377 4.655 50 40 DJGB C[C@H](Cl)CSC(=O)S[C@@H](Cl)C(Cl)Cl 1568389 PYQUCBXKQUPISR-WVZVXSGGSA-N 302.075 4.569 50 40 DJGB N#C/C(=C1\C=C/C(=N\O)c2ccccc21)c1ccc(Cl)cc1 31483866 DGDRKPDZPJGAOV-GMTUMFJYSA-N 306.752 4.522 50 40 DJGB Cc1ccsc1C(=O)/C(C#N)=C/c1cc(C)n(C2CC2)c1C 84251231 YZHLGOWSOSWVEG-OQLLNIDSSA-N 310.422 4.600 50 40 DJGB CC(C)(C)N(Cc1ccccc1)C(=O)c1ccc(CCl)cc1 98072768 AGBSCAUSQCMREP-UHFFFAOYSA-N 315.844 4.866 50 40 DJGB Cc1ccc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)cc1 48237837 FMHYPPJBPOMOSY-AQTBWJFISA-N 312.372 4.694 50 40 DJGB CCCC/C(C)=N\NC(=O)C(c1ccccc1)c1ccccc1 59515935 JEKLZVHNNGGBBU-PGMHBOJBSA-N 308.425 4.501 50 40 DJGB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(O)C#N 253524590 GYZIETHYKFOHGQ-GCNBINEPSA-N 301.474 4.674 50 40 DJGB Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1cccnc1 6266163 OTQPRWIWUAEWIY-BOPFTXTBSA-N 317.367 4.692 50 40 DJGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/C=C/c1ccccc1 7210379 ZWHKKNYRCZOJIX-ZCPHBQKFSA-N 322.795 4.750 50 40 DJGB N#C/C(=C\c1cccc(O)c1)c1nc2cc(Cl)ccc2s1 12888657 XOZYJCQAFYRUQV-IZZDOVSWSA-N 312.781 4.719 50 40 DJGB Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1ccncc1 33612940 AZQCZUBFBOHWTR-ATVHPVEESA-N 317.367 4.692 50 40 DJGB CCn1c(/C(C#N)=C/c2ccc(SC)cc2)nc2ccccc21 4342257 JCTIMTASTKKGLF-NTCAYCPXSA-N 319.433 4.842 50 40 DJGB COc1ccc2c(c1)[C@@H]1c3ccccc3[C@H]2[C@H](Cl)[C@@H]1Cl 4800593 AWOQBDWSBHNCDK-LTIDMASMSA-N 305.204 4.501 50 40 DJGB C[C@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@@H](OC(=O)CCl)C1 5533834 GYWWQECFQIGECM-IMJJTQAJSA-N 308.849 4.551 50 40 DJGB O=C(/C=C/c1ccccc1Cl)c1ccc(O)c(CCCl)c1 12947389 NEPAZFZUPNIKPO-FNORWQNLSA-N 321.203 4.723 50 40 DJGB C[C@@H]1C[PH](c2ccccc2)(c2ccccc2)Cc2ccccc21 103844092 QNEHEBJVSLVFIP-GOSISDBHSA-N 318.400 4.705 50 40 DJGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)c1 76564 CNLCUSKKNUKEQE-XDHOZWIPSA-N 318.420 4.973 50 40 DJGB N#C/C(=C\c1cccc2ccccc12)Cn1cnc2ccccc21 408691824 SAQRYQFYMNCNLQ-FOWTUZBSSA-N 309.372 4.797 50 40 DJGB Cc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1 408885850 FXQDVOGIHZKFQV-XNTDXEJSSA-N 310.784 4.503 50 40 DJGB Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1 6410873 FMHYPPJBPOMOSY-QGOAFFKASA-N 312.372 4.694 50 40 DJGB CC(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccccc2F)cc1 40139961 BARHDXKIWFBFHU-BOPFTXTBSA-N 323.367 4.537 50 40 DJGB Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)s1 408794586 JSUXOBPKSIIMPQ-KPKJPENVSA-N 316.813 4.564 50 40 DJGB Cc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c1 3616238 NKONFPARKAOLLQ-XNTDXEJSSA-N 310.784 4.503 50 40 DJGB CCCC/C(=N/NC(=O)c1cccc(Cl)c1)c1ccccc1 4155806 GODNGLWWEBRKJB-JZJYNLBNSA-N 314.816 4.664 50 40 DJGB O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H](Cl)c1ccccc1 5752782 MCXJDPBZXJMZKR-ZDUSSCGKSA-N 314.599 4.912 50 40 DJGB C[C@H](SCc1ccccc1)C(=O)NN=C1CCCCCCC1 313791 GDVVTKBOJBRZRR-HNNXBMFYSA-N 318.486 4.525 50 40 DJGB CC(C)=CCC/C(C)=C\C=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1 4587679 LJARHXKXELULFY-URYNOLECSA-N 310.441 4.585 50 40 DJGB Nc1cccc(Cl)c1SSc1c(N)cccc1Cl 39157638 MBGNJDYBWBRPTF-UHFFFAOYSA-N 317.266 4.957 50 40 DJGB C[C@H]1CC(C)(C)N(C(=O)CCCCl)c2ccc(Cl)cc21 223240527 STJLLOMKXHVSAR-NSHDSACASA-N 314.256 4.978 50 40 DJGB CCCCOc1ccccc1/C=C(\C#N)c1nc2ccccc2[nH]1 3899511 PGPWUGSOVHJLIQ-DTQAZKPQSA-N 317.392 4.806 50 40 DJGB C[P+](Cc1ccc(F)cc1)(c1ccccc1)c1ccccc1 95671311 XVLOJDCDICYWSJ-UHFFFAOYSA-N 309.344 4.624 50 40 DJGB Cc1cc(C)c(C(=O)OC(=O)c2c(C)cc(C)cc2C)c(C)c1 100972907 QFFZKDVGFYREPN-UHFFFAOYSA-N 310.393 4.534 50 40 DJGB O=C(c1c(F)c(F)c(F)c(F)c1F)[C@@H](Cl)c1ccccc1 211954897 DEZSUBQVQQRBSJ-QMMMGPOBSA-N 320.644 4.545 50 40 DJGB O=[P@@](CCl)(Nc1ccccc1)C(Cl)(Cl)Cl 3230539 JJDFPQDQZUKICR-OAHLLOKOSA-N 306.944 4.901 50 40 DJGB CC(C)(C)Oc1ccc(C(=O)CCCCBr)cc1 575357412 CMSOTRYLCCBEIT-UHFFFAOYSA-N 313.235 4.612 50 40 DJGB N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl 5679611 NTSVWQZFTKRDRZ-FMIVXFBMSA-N 317.175 4.539 50 40 DJGB Cc1ccc(C(=O)N/N=C/c2ccc(C(C)C)cc2)cc1Cl 6033651 ZBWTUBXKYUYJOZ-RGVLZGJSSA-N 314.816 4.536 50 40 DJGB CCCCCC(=O)N/N=C(\C)c1ccc(-c2ccccc2)cc1 8563742 ZSBUOVLQIAWKBG-LTGZKZEYSA-N 308.425 4.774 50 40 DJGB CC(C)c1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1 349545 ISNQXQFREUHNOT-HYARGMPZSA-N 316.404 4.727 50 40 DJGB CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)s1 5214829 YJSLBKTWBZXQKK-FMIVXFBMSA-N 317.797 4.539 50 40 DJGB Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc(C(C)C)cc1 33289455 BIUDJZWDJQDKPQ-UNOMPAQXSA-N 318.420 4.973 50 40 DJGB O=C(CCCCCl)c1ccc(OCc2ccccc2)cc1 394578740 UAFUJRBWUDPHJW-UHFFFAOYSA-N 302.801 4.857 50 40 DJGB N#C/C(=C\c1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1 6258398 PBWMIBYEJMSBBG-FMIVXFBMSA-N 317.175 4.539 50 40 DJGB COc1cc(/C=C/C#N)ccc1OCc1cccc2ccccc12 6229946 KFTZXRZANHXGNH-AATRIKPKSA-N 315.372 4.964 50 40 DJGB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC/C2=C/C#N 118924551 WFCZGXIUCMFHSX-XFFQDJJMSA-N 311.469 4.760 50 40 DJGB CCCCCCN1C=C/C(=C\C=C(C#N)C#N)c2ccccc21 4794706 GRNMHBUDAIEHKO-WOJGMQOQSA-N 303.409 4.958 50 40 DJGB CCOc1cccc2c1CC[C@@H](O[Si](C)(C)C(C)(C)C)C2 195752690 ISYWNNLBYBNCRU-OAHLLOKOSA-N 306.522 4.964 50 40 DJGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(Cl)s2)c1C 59133178 DQSQYJWBRPPLOX-WQLSENKSSA-N 316.813 4.564 50 40 DJGB CSC1=C(C#N)[C@H](c2ccc(C)cc2)C2=C(O)CCCC2=N1 102570727 NKUYSQFOKCWDTE-INIZCTEOSA-N 310.422 4.627 50 40 DJGB COc1ccc2ccccc2c1C(=O)CCCCBr 575358387 JVYLIFURUXBEOX-UHFFFAOYSA-N 321.214 4.596 50 40 DJGB Cc1cccc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c1 408766831 SLOBQIIFQRFXRQ-XDHOZWIPSA-N 312.372 4.694 50 40 DJGB Cc1cc(/C=C(/C#N)c2ccc(F)cc2)c(C)n1-c1cccnc1 408780735 JHJLMYPULLZIGP-WQRHYEAKSA-N 317.367 4.692 50 40 DJGB N#C/C(=C\c1ccccn1)c1nc(-c2ccc(Cl)cc2)cs1 4305762 OTKBBNCGDJEXSS-UKTHLTGXSA-N 323.808 4.923 50 40 DJGB Cc1cc(N2CCCC2)c(C)cc1/C=C(\C#N)c1ccccc1 4738907 CYNFPCNZSDZJKB-XSFVSMFZSA-N 302.421 4.968 50 40 DJGB CC(C)/C(=N\NC(=O)c1cccc2ccccc12)c1ccccc1 13954011 HKBDEWLCYJTXNI-LSDHQDQOSA-N 316.404 4.630 50 40 DJGB Cc1ccsc1C(=O)/C(C#N)=C/c1ccc(OC(C)C)cc1 96307381 HXFAOGHANICOSN-XNTDXEJSSA-N 311.406 4.634 50 40 DJGB CO[Si](CCCCCCCCCCCCl)(OC)OC 197292950 BRYVPDMODZIFEB-UHFFFAOYSA-N 310.938 4.614 50 40 DJGB O=C(CCl)N(CC1CCCCC1)c1ccc2ccccc2c1 199757438 GDDGLQSAJYLYRB-UHFFFAOYSA-N 315.844 4.992 50 40 DJGB N#C/C(=C/c1cccn1-c1ccc(F)cc1)c1cccc(F)c1 409391144 HQFLOUWTJOXPIM-QINSGFPZSA-N 306.315 4.820 50 40 DJGB O=C(CBr)c1ccc(N=Nc2ccccc2)cc1 255004357 ZXTGCMLCYPYCID-UHFFFAOYSA-N 303.159 4.680 50 40 DJGB CC[PH](Cc1ccccc1)(c1ccccc1)c1ccccc1 104116364 YYHLWKCVAUYHBJ-UHFFFAOYSA-N 306.389 4.607 50 40 DJGB Cc1cccc(NC(=O)/C(C#N)=C\c2cccc3ccccc23)c1 215857674 IBODFNMPEYFMDK-AQTBWJFISA-N 312.372 4.694 50 40 DJGB CCN(CC)c1ccc(C(=O)[C@@H](Cl)c2ccccc2)cc1 575358042 FPVQBBULIFSGGO-KRWDZBQOSA-N 301.817 4.696 50 40 DJGB Cc1ccc2ccccc2c1C(=O)CCCCBr 575358557 RSYVLBXTDSLBHA-UHFFFAOYSA-N 305.215 4.896 50 40 DJGB CCc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C#N)cc1 45584 VIBYMFOQYKEMDU-UHFFFAOYSA-N 324.387 4.532 50 40 DJGB O=C(Nc1ccc(F)cc1)NN(c1ccccc1)c1ccccc1 6927511 KEJZSNYXRURZSX-UHFFFAOYSA-N 321.355 4.701 50 40 DJGB COc1ccccc1/C=C(/C#N)c1nc(-c2ccccc2)cs1 13615831 QJJSHDTZYZHFRM-WJDWOHSUSA-N 318.401 4.883 50 40 DJGB CC[C@H](Cl)CSC(=O)S[C@@H](Cl)C(Cl)Cl 1568394 UIFYNPRTCJQHLZ-UJURSFKZSA-N 316.102 4.959 50 40 DJGB CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(C(C)C)cc2)cc1 6957054 ILDCJKGAUDOAKY-UYRXBGFRSA-N 318.420 4.918 50 40 DJGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(C(C)(C)C)cc2)cc1 2777096 XIGGVWQCJRSASC-GHRIWEEISA-N 318.420 4.838 50 40 DJGB CCC(/C=N/NC(=O)c1sc2ccccc2c1Cl)CC 5788794 DEQVOAMMLZNJRQ-RQZCQDPDSA-N 308.834 4.707 50 40 DJGB O=C(Cl)c1ccc(Sc2ccc(C(=O)Cl)cc2)cc1 113709579 QGSIZCFGIPNRJK-UHFFFAOYSA-N 311.189 4.596 50 40 DJGB CCCCCCCC[C@@H](Br)CBr 2038091 XBRBOTTWTQOCJH-SNVBAGLBSA-N 300.078 4.895 50 40 DJGB Cc1ccc(SC2=Nc3ccccc3NC2=C(C#N)C#N)cc1 147976 VJXCBEWLCWLDBF-UHFFFAOYSA-N 316.389 4.544 50 40 DJGB N#C/C(=C/c1ccc(-c2ccccc2)o1)c1cccc([N+](=O)[O-])c1 6618518 XMYCQIWSZVINAA-VBKFSLOCSA-N 316.316 4.919 50 40 DJGB CCN(CC)c1ccc(/C=C(\C#N)c2ccc(OC)cc2)cc1 408580553 CIAHQBXLFGWEEE-NBVRZTHBSA-N 306.409 4.606 50 40 DJGB CCOP(=O)(OCC)/C(C#N)=C/c1cccc2ccccc12 1628770 ARVGRJBWTHEAQQ-FOWTUZBSSA-N 315.309 4.970 50 40 DJGB O=C(NN=C1CCCCCC1)C(c1ccccc1)c1ccccc1 59515936 WSMDGHSAFHYVKF-UHFFFAOYSA-N 320.436 4.645 50 40 DJGB C[C@@H](Br)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2 66324172 JYOVSTJYLZJQNY-QZWZXBRZSA-N 322.084 4.504 50 40 DJGB O=C(/C=C/c1ccccc1)[C@@H](Cl)[C@H](Cl)c1ccccc1 104183294 GHDKCDDHHJACMY-CSLLIFPHSA-N 305.204 4.856 50 40 DJGB C#CCn1c(C)c(/C=C(\C#N)c2cccc(C#N)c2)c2ccccc21 408565833 AZUNFCBTFGFDDV-CPNJWEJPSA-N 321.383 4.519 50 40 DJGB N#C/C(=C\Nc1ccccc1)c1nc(-c2cccs2)cs1 16662148 ZRQNXKJIOPSGMC-ZRDIBKRKSA-N 309.419 4.848 50 40 DJGB O=C(NN=C1CCCCCCCCCCC1)c1ccccc1O 4199348 FRCMXFJIFROWIO-UHFFFAOYSA-N 316.445 4.783 50 40 DJGB CC(C)(C)[Si](C)(C)OCc1ccc(C#C[Si](C)(C)C)cn1 1772714899 FCTHLDFXIWFCEK-UHFFFAOYSA-N 319.597 4.832 50 40 DJGB Cc1ccsc1C(=O)NN(c1ccccc1)c1ccccc1 32999488 UWFGLDVCSQMIMX-UHFFFAOYSA-N 308.406 4.540 50 40 DJGB CCCCOc1ccccc1/C=C(\C#N)C(=O)c1ccccc1 83330124 BKMRVJSKWBSDGL-NBVRZTHBSA-N 305.377 4.655 50 40 DJGB C=CCc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(OC)c1O 560372 IGKKJTPASAFFAC-WOJGMQOQSA-N 305.377 4.502 50 40 DJGB COc1ccc(/C=C(/C#N)c2cccc3ccccc23)cc1OC 6441673 GUPKZTSIXQPDGF-ATVHPVEESA-N 315.372 4.921 50 40 DJGB Cc1cc(N2CCCC2)c(F)cc1/C=C(/C#N)c1ccc(F)cc1 6626219 WBTIZTOWOCIZNI-BOPFTXTBSA-N 324.374 4.938 50 40 DJGB Cc1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)c(C)n1C 408787102 RIELOTXAVSVWTR-DHDCSXOGSA-N 304.315 4.725 50 40 DJGB Cc1cc(C(=O)NN=C2CCCCCC2)c(C)n1-c1ccccc1 7244611 JDYDZICUEPKEJG-UHFFFAOYSA-N 323.440 4.534 50 40 DJGB CCn1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c2ccccc21 33705625 ZXSSWONMNCMATC-GDNBJRDFSA-N 317.348 4.634 50 40 DJGB CC(C)c1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1 34196415 OYYHKBHHQPFFFG-HYARGMPZSA-N 316.404 4.727 50 40 DJGB O=C(CCl)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 95869838 FUSJWQRNFMDEGH-UHFFFAOYSA-N 311.595 4.986 50 40 DJGB CC(C)N(c1ccccc1)c1ccc(NC(=O)[C@H](C)Cl)cc1 96029377 JBNSDUSERISONM-AWEZNQCLSA-N 316.832 4.799 50 40 DJGB C=CCc1cc(/C=C(/C#N)c2ccccc2F)cc(OCC)c1O 107636421 RXEHXQNTSOJBIB-WJDWOHSUSA-N 323.367 4.723 50 40 DJGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)cc2)c(C)c1 5538497 YTHZFUOTIHWJRY-GDNBJRDFSA-N 310.784 4.503 50 40 DJGB Cc1ccc(N/C=C(\C#N)c2nc3ccccc3[nH]2)cc1Cl 790677 UMEQYLMGWKIOSF-ZRDIBKRKSA-N 308.772 4.501 50 40 DJGB ClCCN(CCCl)c1ccc(OCc2ccccc2)cc1 1724322 AICZHGUHMDUPES-UHFFFAOYSA-N 324.251 4.550 50 40 DJGB CC1(C)OC12[C@@H]1C3=C([C@@H](Cl)C=C[C@H]3Cl)[C@H]2c2ccccc21 104294153 JSEYTPMVKKYTJC-MJHSXMRKSA-N 319.231 4.510 50 40 DJGB O=C(CCCCBr)c1ccc(Cl)cc1Cl 308780809 COQSIHBWMXQODF-UHFFFAOYSA-N 310.018 4.741 50 40 DJGB N#C/C(=C\Nc1ccccc1F)c1nc(-c2ccccc2)cs1 503526 IGDJINUJIJDHRC-SDNWHVSQSA-N 321.380 4.926 50 40 DJGB CC(C)c1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 5413337 LTIFBWOASQMWAP-RBYWHNRPSA-N 318.420 4.594 50 40 DJGB N#C[C@@H](Cl)Cc1c(Cl)cc(C(F)(F)F)cc1Cl 165525 SNWKIBZOADQKKI-LURJTMIESA-N 302.510 4.686 50 40 DJGB CC(C)c1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1 5413521 NKXGBMRNSMBRPQ-HYARGMPZSA-N 322.452 4.871 50 40 DJGB ICc1ccc2cc3ccccc3cc2c1 95696885 JWHPNTYBBINCLX-UHFFFAOYSA-N 318.157 4.928 50 40 DJGB CC(C)(C)Oc1ccc(C#CC(C)(C)O[Si](C)(C)C)cc1 575180639 ZVKFTMQLYKMNFJ-UHFFFAOYSA-N 304.506 4.846 50 40 DJGB N#C/C(=C/C=C/c1ccccc1)C(=O)Nc1ccc2ccccc2c1 4209268 PWQJGNOPCMYERP-LRFQPHQISA-N 324.383 4.942 50 40 DJGB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC/C2=N\NC=O 253497821 HFZBDAPJPLSLRS-DDFWYIECSA-N 316.489 4.521 50 40 DJGB COc1ccc(/C(C#N)=C/c2cccc3ccccc23)cc1OC 1651053 PCUVWNLVRZTYOT-LDADJPATSA-N 315.372 4.921 50 40 DJGB CCCc1cc(C(=O)N/N=C2/C[C@H]3CC[C@]2(C)C3(C)C)cs1 44790582 ZNHWQJQPQYULGI-PWKIQMFUSA-N 318.486 4.633 50 40 DJGB Cc1cc2nc(/C(C#N)=C\c3ccc(O)c(Cl)c3)[nH]c2cc1C 169963703 HPFQCVWTIQUIBZ-QPEQYQDCSA-N 323.783 4.603 50 40 DJGB O=C(CCCCCCCl)c1ccc(OC(F)(F)F)cc1 43212748 RTZZZFREXOHOQQ-UHFFFAOYSA-N 308.727 4.957 50 40 DJGB Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1 5793934 PZBLTLHFNDDYNC-XNTDXEJSSA-N 310.784 4.503 50 40 DJGB COc1cccc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)c1 33394100 BFBNPGOGZYOEOA-YBEGLDIGSA-N 318.401 4.883 50 40 DJGB CC(C)(C)OC(=O)N1C[C@@H](CCl)c2c1ccc1ccccc21 33993028 LITLNICSYVUFSG-CYBMUJFWSA-N 317.816 4.917 50 40 DJGB in-vitro Fc1ccc(-c2cnc(CBr)o2)c2ccccc12 85391207 JAWVTOYHFGKQBS-UHFFFAOYSA-N 306.134 4.529 50 40 DJGB O=C(CCCCCBr)c1ccc2ccccc2c1 144456182 DOIQZQRVEJQPFK-UHFFFAOYSA-N 305.215 4.978 50 40 DJGB Cc1c(C(=O)CCCCBr)cccc1C(F)(F)F 575361211 VGVLAMPGDGHLJO-UHFFFAOYSA-N 323.152 4.762 50 40 DJGB C#CCOc1ccc(/C=C(\C#N)c2ccc(C)cc2)cc1Cl 408579610 IQKUJACQORCFBO-GZTJUZNOSA-N 307.780 4.725 50 40 DJGB C=CCOc1ccccc1/C=C(\C#N)c1nc2cc(C)ccc2[nH]1 4067471 SGXXMEZALOVCPP-FOWTUZBSSA-N 315.376 4.500 50 40 DJGB CC(C)(C)[Si](C)(C)OC[C@@H]1CCc2cc3c(c(N)c21)CCC3 2113448348 CBPPWYJNBKWVIL-HNNXBMFYSA-N 317.549 4.809 50 40 DJGB CCCc1cc(C(=O)N/N=C2\C[C@@H]3CC[C@]2(C)C3(C)C)cs1 102327612 ZNHWQJQPQYULGI-BKXIITFXSA-N 318.486 4.633 50 40 DJGB O=C(c1cc(F)c(Cl)c(F)c1)[C@H](Cl)c1ccccc1 575357855 XBFAOVSDKYOZFA-GFCCVEGCSA-N 301.119 4.781 50 40 DJGB Cc1ccsc1/C=C(\C#N)C(=O)Nc1cccc2ccccc12 6410869 MTEAXYFNZQWSMZ-RVDMUPIBSA-N 318.401 4.755 50 40 DJGB Cc1ccc(C(=O)C(Cl)C(=O)c2ccc(C)c(C)c2)cc1C 100780521 NLKQIZLOYWSMCT-UHFFFAOYSA-N 314.812 4.593 50 40 DJGB N#C/C(=C/c1c(O)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1 437022 JIKBYGHDSSESRZ-PTNGSMBKSA-N 316.316 4.518 50 40 DJGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/C=C/c1ccccc1 1096135 HHFRCFVICISVHE-KSHOZRLPSA-N 322.795 4.750 50 40 DJGB N#C/C(=C/c1ccc(C(F)(F)F)cc1)c1nc2ccccc2[nH]1 33826966 AAVUPDCCFWKWEO-XFXZXTDPSA-N 313.282 4.646 50 40 DJGB ICc1cc2ccccc2c2ccccc12 71254618 TYORWVCEFBSLOC-UHFFFAOYSA-N 318.157 4.928 50 40 DJGB CC(C)(CCl)C(=O)c1cc(OC(F)(F)F)ccc1Cl 575361431 DZQLLZUVRPWLLC-UHFFFAOYSA-N 315.118 4.686 50 40 DJGB S=C(Nc1ccccc1)P(c1ccccc1)c1ccccc1 1580246 LFSOYVGHUJONAP-UHFFFAOYSA-N 321.385 4.516 50 40 DJGB O=C(NN=C1CCCC1)c1ccc(CSc2ccccc2)cc1 59473576 SRPDKSIFDZGCAO-UHFFFAOYSA-N 324.449 4.639 50 40 DJGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1sccc1C 408813582 URJWLMBIDKBZTF-XYOKQWHBSA-N 316.813 4.564 50 40 DJGB N#C/C(=C\c1cccs1)C(=O)Nc1cccc(Cl)c1Cl 242348 QGNIPLKHISPSQH-VQHVLOKHSA-N 323.204 4.601 50 40 DJGB CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)C/C=C(\C=O)CC(=O)O 14927714 RRVWWISJQFUJSD-XPIJAZIESA-N 318.457 4.775 50 40 DJGB biogenic,in-vitro Cc1cc(C(=O)CCl)c(C)n1-c1cc(Cl)ccc1Cl 37327095 GRSAFVIUVJUDLJ-UHFFFAOYSA-N 316.615 4.822 50 40 DJGB Brc1ccc2c(c1)[C@H](Br)c1ccccc1-2 90549857 LCSRSFIWOSPUNG-CYBMUJFWSA-N 324.015 4.914 50 40 DJGB C[C@@H](Br)C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2 100151844 JYOVSTJYLZJQNY-LVGQNXBHSA-N 322.084 4.504 50 40 DJGB N#C/C(=C/c1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 107743753 MJALMOUCQKQPEB-QPEQYQDCSA-N 318.254 4.678 50 40 DJGB O=C(c1ccc(OC(F)(F)F)cc1)[C@H](Cl)c1ccccc1 131271052 XVLWNJXZFXWFBT-CYBMUJFWSA-N 314.690 4.748 50 40 DJGB CC(C)Oc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1 408565843 BFNWXEGHFTXKNH-ZROIWOOFSA-N 321.355 4.553 50 40 DJGB CN(CCC#N)c1ccc(/C=C(/C#N)c2ccc(Cl)cc2)cc1 17023405 OLVVDPUQMXLTPP-LGMDPLHJSA-N 321.811 4.754 50 40 DJGB N#C/C(=C\c1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12 16441472 QBJDKFVHZFNPBB-UKTHLTGXSA-N 306.752 4.611 50 40 DJGB FC(F)(F)c1ccc(Cl)c(CBr)c1Cl 71867299 OAKBDJKNTUNRSH-UHFFFAOYSA-N 307.924 4.907 50 40 DJGB N#C/C(=C/c1ccc(Cl)s1)C(=O)Nc1cccc(Cl)c1 408965956 KKRUAAQOPZZEFM-TWGQIWQCSA-N 323.204 4.601 50 40 DJGB O=C(Sc1ccccc1)[C@@H](Cl)[C@H](Cl)c1ccccc1 1685430 QNARSFWIZXCQAD-KGLIPLIRSA-N 311.233 4.893 50 40 DJGB C[C@H]1CC(C)(C)N(C(=O)[C@@H](C)Cl)c2cc(Cl)ccc21 223827242 FFSPXVZVJXMZQA-VHSXEESVSA-N 300.229 4.586 50 40 DJGB C/C(=N\NC(=O)c1cccc2ccccc12)c1ccccc1Cl 5621172 FHDQRICNPZQBLA-FYJGNVAPSA-N 322.795 4.647 50 40 DJGB O=C(CCl)N1c2ccccc2Oc2cc3ccccc3cc21 1690549 QEZMCHRXKWDDCC-UHFFFAOYSA-N 309.752 4.849 50 40 DJGB CC(/C=C/C=C/c1ccccc1)=N/NC(=O)c1ccc(Cl)cc1 4501974 QUGHGFFADRUPKK-DWJXPLMOSA-N 324.811 4.715 50 40 DJGB CC(C)(C)C1CCC(CI)(N=[N+]=[N-])CC1 5713690 DNJCCCMFFAHOGN-UHFFFAOYSA-N 321.206 4.707 50 40 DJGB CCOc1cc(/C=C/C#N)ccc1OCc1ccc(Cl)cc1 6595615 RQQOQBKEXPONEX-ONEGZZNKSA-N 313.784 4.854 50 40 DJGB CC1=C(C#N)C(c2ccc(-c3ccccc3)cc2)C(C#N)=C(C)N1 19594370 BNTUIIUNPVQAQR-UHFFFAOYSA-N 311.388 4.636 50 40 DJGB CC[C@H]1CCC/C1=N\NC(=O)c1ccc(-c2ccccc2)cc1 578671 FZHHMXSJFAKPOX-APFMSCDFSA-N 306.409 4.650 50 40 DJGB Cc1ccc(-c2nc(C(Cl)Cl)n(-c3ccccc3)n2)cc1 241438 QTAVZMDLPLYNJO-UHFFFAOYSA-N 318.207 4.719 50 40 DJGB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](Cl)CC[C@@]43C)[C@@H]1CC[C@H]2O 118927588 HYYXUOULPYGCRM-SLMGBJJTSA-N 308.893 4.918 50 40 DJGB CC(C)/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 5632686 FRXLSCAWMDOKAK-ZBJSNUHESA-N 322.452 4.774 50 40 DJGB N#C/C(=C/c1ccc2c(c1)OCO2)c1ccc(Cl)cc1Cl 42591 OMVLFSVFMWVZPX-WZUFQYTHSA-N 318.159 4.786 50 40 DJGB N#C/C(=C\c1ccc(Cl)c(Cl)c1)c1ccccc1[N+](=O)[O-] 3339260 BPRIETPTZUTMER-YRNVUSSQSA-N 319.147 4.966 50 40 DJGB O=C(CCl)N(c1ccc(Cl)cc1)c1c[nH]c2ccccc12 333882 ALZOOYPQGWRTKB-UHFFFAOYSA-N 319.191 4.725 50 40 DJGB O=C(/C=C/c1ccc(OCCCCl)cc1)c1ccccc1 4267803 LNSFMSLLKMWYOR-FMIVXFBMSA-N 300.785 4.590 50 40 DJGB CC/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 12493820 OXERXCSUEMQLGI-DYTRJAOYSA-N 308.425 4.528 50 40 DJGB CCN(CC)c1ccc(-c2ccc(C=C(C#N)C#N)s2)s1 19074597 OJPJLNBAYKAALT-UHFFFAOYSA-N 313.451 4.753 50 40 DJGB N#CSc1ccc2c(c1)CCc1cc(SC#N)ccc1N2 354932 ZRKYFEWYJKXJKM-UHFFFAOYSA-N 309.419 4.675 50 40 DJGB CCCC[C@@H](Br)[C@H](Br)CCCC 98175119 GRHWTEWNWUYZGF-NXEZZACHSA-N 300.078 4.894 50 40 DJGB Cc1ccc(N/C(S)=C(\C#N)c2nc3ccccc3s2)cc1 12564888 DRBCFTHJAUDTMK-SSZFMOIBSA-N 323.446 4.839 50 40 DJGB CCCCc1ccc(-c2nnc(SCCCCl)n2C)cc1 228977772 TUAIAZQUEMXKIK-UHFFFAOYSA-N 323.893 4.546 50 40 DJGB CC[C@@H](Cl)CSC(=O)S[C@@H](Cl)C(Cl)Cl 1568395 UIFYNPRTCJQHLZ-INEUFUBQSA-N 316.102 4.959 50 40 DJGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2Cl)cc1C 33285134 FHCFEYWCQRQPFL-GDNBJRDFSA-N 310.784 4.503 50 40 DJGB O=C(c1cccc(OC(F)(F)F)c1)[C@H](Cl)c1ccccc1 314414829 PXMSOVNWXYLEGH-CYBMUJFWSA-N 314.690 4.748 50 40 DJGB ClC(Cl)(Cl)C[C@H](Br)c1ccccc1 1634335 GYXDKVQPLSJHKZ-QMMMGPOBSA-N 302.426 4.883 50 40 DJGB Cc1ccc(C(=O)CCCCCBr)c(Cl)c1 145535812 SZOQXGIQVNDPIC-UHFFFAOYSA-N 303.627 4.786 50 40 DJGB O=C(Sc1ccccc1)[C@@H](Cl)[C@@H](Cl)c1ccccc1 1685429 QNARSFWIZXCQAD-KBPBESRZSA-N 311.233 4.893 50 40 DJGB O=Cc1cc(Br)cc(S(F)(F)(F)(F)F)c1 97949980 IPQVQQNYNAJWRU-UHFFFAOYSA-N 311.069 4.919 50 40 DJGB Brc1ccc2c(c1)-c1ccccc1[C@@H]2Br 1580969 WGHDNGVTEYHDAO-ZDUSSCGKSA-N 324.015 4.914 50 40 DJGB COc1ccc(-c2csc(/C(C#N)=C\c3cccs3)n2)cc1 4472572 AQJDBWKEYCVPLY-LCYFTJDESA-N 324.430 4.944 50 40 DJGB N#C/C(=C/c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 12367906 ZDUYHHZWYOKEHC-GHXNOFRVSA-N 319.147 4.966 50 40 DJGB O=C(Cl)c1ccc(OCc2ccccc2Cl)c(Cl)c1 217707231 KGHMVOWAWWNHOU-UHFFFAOYSA-N 315.583 4.951 50 40 DJGB COc1cccc(/C=C(/C#N)c2ccccc2F)c1OC(C)C 33616045 ZYSSHCPZDPMFAT-PTNGSMBKSA-N 311.356 4.686 50 40 DJGB CC[C@H](C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100019585 SGNAKWKXKBREOU-IBGZPJMESA-N 319.408 4.779 50 40 DJGB Cc1cc2c(cc1C=C(C#N)C#N)[C@@H](C)CC(C)(C)N2C(C)C 223599853 GAVVTWZRNVQZBL-HNNXBMFYSA-N 307.441 4.926 50 40 DJGB C[C@@H](Cl)C(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F 575360022 BRYUPGAUMMMWAZ-RXMQYKEDSA-N 304.617 4.534 50 40 DJGB CC(C)COc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1 15008812 MDRTZDDZFAHDMD-LFIBNONCSA-N 317.392 4.662 50 40 DJGB Cc1ccc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)o1 14086744 KJLWQVYZJOVYFD-MDWZMJQESA-N 310.353 4.915 50 40 DJGB Cc1cc(N2CCCC2)c(F)cc1/C=C(\C#N)c1ccccc1 33826534 AFSRMRYIOHSNLS-LDADJPATSA-N 306.384 4.799 50 40 DJGB Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc(Cl)cc2)c1 59474937 FNDLZXDVYHKFBY-GDNBJRDFSA-N 310.784 4.503 50 40 DJGB Clc1cc(Cl)c(CBr)c(Br)c1 137055785 OZCNEACBSLUSER-UHFFFAOYSA-N 318.823 4.651 50 40 DJGB O=C(NN=C1CCCCCC1)c1sc2ccccc2c1Cl 477979 SCKPBHHFBXATPU-UHFFFAOYSA-N 320.845 4.995 50 40 DJGB C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OCC)c1OC 409065080 FZMJIFUJVYLJBB-CPNJWEJPSA-N 319.404 4.887 50 40 DJGB N#C/C(=C\c1ccc(O)cc1)c1nc2cc(Cl)ccc2s1 13003681 LLHXPDKUYZIIQB-YRNVUSSQSA-N 312.781 4.719 50 40 DJGB CCOc1ccccc1/C=C(/C#N)Sc1nc2ccccc2[nH]1 408599139 PFQCBRKMIJMAKN-KAMYIIQDSA-N 321.405 4.618 50 40 DJGB N#C/C(=C/c1ccc(Br)o1)c1cccc(Cl)c1 408599405 UJQJOQYUVMENTA-YFHOEESVSA-N 308.562 4.760 50 40 DJGB O=C(CCCCCl)c1cccc(OCc2cccc(F)c2)c1 575357555 LUBMSCBERZYOGT-UHFFFAOYSA-N 320.791 4.997 50 40 DJGB N#C/C(=C\c1ccsc1)C(=O)Nc1cccc(Cl)c1Cl 2777470 RXZSIWVEEZWOQQ-UXBLZVDNSA-N 323.204 4.601 50 40 DJGB Cc1ccc(-c2nc(C(Cl)Cl)c3cccc(N)c3n2)cc1 101425441 QZBRSVYKGVJPKR-UHFFFAOYSA-N 318.207 4.664 50 40 DJGB C[C@H](Sc1ccc(Cl)cc1)C(=O)NN=C1CCCCCC1 408869802 RMEMKSLUTJFGCS-LBPRGKRZSA-N 324.877 4.647 50 40 DJGB C/C(CC(C)C)=N/NC(=O)Nc1ccc(Cl)c(Cl)c1 17041173 PKTIUUHACZXOIV-MFOYZWKCSA-N 302.205 4.537 50 40 DJGB CCCOc1ccccc1/C=C(\C#N)c1ccc(OC)c(OC)c1 408583501 VDBWEZVTUUADJT-SFQUDFHCSA-N 323.392 4.557 50 40 DJGB Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc1 408806605 FUKIPLBRPYLJCD-XNTDXEJSSA-N 310.784 4.503 50 40 DJGB Cc1ccc(-c2csc(/C(C#N)=C\c3cccc(O)c3)n2)cc1 4853290 GCHIAYFRAHSNDT-SXGWCWSVSA-N 318.401 4.888 50 40 DJGB O=C(Cl)c1ccc2nc(-c3cccc(Cl)c3)sc2c1 73740399 NSWZDDOIQXWLNI-UHFFFAOYSA-N 308.189 4.996 50 40 DJGB CCCCC/C(=N\NC(=O)c1ccccc1C)c1ccccc1 12403678 SSSYTJQVEOVNPA-XUTLUUPISA-N 308.425 4.709 50 40 DJGB CCOc1ccc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc1 408599796 ZXMWFBCGPLPKJO-RVDMUPIBSA-N 321.405 4.618 50 40 DJGB C[C@H]1CCC/C(=N\NC(=O)c2sc3ccccc3c2Cl)C1 13736757 CYXXWFMBXAVOCQ-DWTJURIWSA-N 320.845 4.851 50 40 DJGB CCCc1cc(C(=O)N/N=C2/C[C@@H]3CC[C@@]2(C)C3(C)C)cs1 44790585 ZNHWQJQPQYULGI-KTLCBTTASA-N 318.486 4.633 50 40 DJGB O=C(CCCC[C@H]1CCSS1)Nc1ccc2[nH]ccc2c1 79192463 ZWOBJNWIXXHZOP-AWEZNQCLSA-N 320.483 4.821 50 40 DJGB biogenic Cc1ccc2[nH]c(/C(C#N)=C\c3cc(C)n(C(C)C)c3C)nc2c1 107641452 WOABDFHEZXTUMN-YVLHZVERSA-N 318.424 4.935 50 40 DJGB CCCCCCCCCC[C@H](Br)C(=O)OCC 1589698 VGYZSIMAKGWWOP-ZDUSSCGKSA-N 307.272 4.844 50 40 DJGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)cc1C 4492543 TUTQZKJPDPGLSW-XNTDXEJSSA-N 310.784 4.503 50 40 DJGB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC/C2=C\C#N 118924549 WFCZGXIUCMFHSX-URUINYPESA-N 311.469 4.760 50 40 DJGB Cc1cc(C)cc(N/C=C(\C#N)c2nc3ccccc3s2)c1 2405113 MZMZBKJUJHMRQL-SDNWHVSQSA-N 305.406 4.890 50 40 DJGB O=C(CCCC[C@@H]1CCSS1)Nc1ccc2[nH]ccc2c1 79192459 ZWOBJNWIXXHZOP-CQSZACIVSA-N 320.483 4.821 50 40 DJGB biogenic [C-]#[N+][C@H](c1cccc2ccccc12)S(=O)(=O)c1ccc(C)cc1 95686556 XNQLKDGDEHNGMI-IBGZPJMESA-N 321.401 4.540 50 40 DJGB O=C(Cl)/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 6224857 GZCAMVIVIWJAAL-FNORWQNLSA-N 300.663 4.744 50 40 DJGB O=C(CCCCCCCl)c1ccccc1OC(F)(F)F 43212737 SYLDUOWJCTWAEY-UHFFFAOYSA-N 308.727 4.957 50 40 DJGB CC(C)c1ccc(/C=C(\C#N)C(=O)NC2CCCCCC2)cc1 2768462 SUURSLROLOMQNS-QGOAFFKASA-N 310.441 4.556 50 40 DJGB Cc1ccc(C(=O)NN=C2CCC(c3ccccc3)CC2)c(C)c1 5603808 FFQMYDXOSOXRAW-UHFFFAOYSA-N 320.436 4.747 50 40 DJGB CC(C)(C)c1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1 33643940 SFPGRPHVQGCDDW-WJDWOHSUSA-N 306.365 4.956 50 40 DJGB COc1cc(/C=C/C#N)cc(Cl)c1OCc1cccc(F)c1 33793034 UZUNOTSDBFZQGS-HWKANZROSA-N 317.747 4.603 50 40 DJGB N#C/C(=C/c1ccc(-c2ccccc2C(=O)O)o1)c1ccccc1 409365800 SCYCBBOOLQFVGL-QINSGFPZSA-N 315.328 4.709 50 40 DJGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)c(C)c1 3241669 YTHZFUOTIHWJRY-XNTDXEJSSA-N 310.784 4.503 50 40 DJGB CCN(CC)c1ccc(C(=O)[C@H](Cl)c2ccccc2)cc1 575358043 FPVQBBULIFSGGO-QGZVFWFLSA-N 301.817 4.696 50 40 DJGB CCOc1cc(/C=C/C#N)ccc1OCc1ccccc1Cl 33738225 IWJHSEQNSVBGEF-AATRIKPKSA-N 313.784 4.854 50 40 DJGB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(O)C#N 253524593 GYZIETHYKFOHGQ-PHJNVHRLSA-N 301.474 4.674 50 40 DJGB CC[C@H](Cl)C(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F 575360917 LUUUVDKFAAXQCX-VIFPVBQESA-N 318.644 4.924 50 40 DJGB CCCCCC[C@@H](CCCC)COC(=O)CBr 1687354 PIBYANMZXWTHQM-CYBMUJFWSA-N 307.272 4.701 50 40 DJGB N#C/C(=C/c1ccccc1Br)c1cccc(F)c1 409394161 WQKPYSCCMDHEEH-JYRVWZFOSA-N 302.146 4.652 50 40 DJGB O=C(Cl)c1cc(-c2ccccc2)nc2cc(Cl)ccc12 96327340 SEROFVQSNLKZDR-UHFFFAOYSA-N 302.160 4.934 50 40 DJGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1O 216488337 IWERZARSKYPMJX-IZZDOVSWSA-N 320.175 4.772 50 40 DJGB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC/C2=N\NC=O 253497822 HFZBDAPJPLSLRS-MDNGYMOPSA-N 316.489 4.521 50 40 DJGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(O)c(Cl)c2)cc1 408583962 YYIQZCVZPOFLAB-WUXMJOGZSA-N 320.175 4.772 50 40 DJGB C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OC)c1OCC 409074524 MQGRAHRZXMXSDD-CPNJWEJPSA-N 319.404 4.887 50 40 DJGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(C(C)C)cc2)c(C)c1 59475002 HGTMEXOBVQTEPC-UNOMPAQXSA-N 318.420 4.973 50 40 DJGB O=C(N/N=C/c1cccc2ccccc12)c1ccc2ccccc2c1 253571839 PLMYHBDZTGFOGN-HZHRSRAPSA-N 324.383 4.757 50 40 DJGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1O 409393603 RFDGSEDLULDGJV-MLPAPPSSSA-N 317.747 4.648 50 40 DJGB O=C(N/N=C/C1CCCCC1)c1ccc(-c2ccccc2)cc1 4155788 QOLJDSSHYHILDX-RCCKNPSSSA-N 306.409 4.650 50 40 DJGB C[C@H](Cl)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 514251580 BBCSTOHYFGQCCV-YFKPBYRVSA-N 304.617 4.534 50 40 DJGB C/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(C)c(C)c1 4113289 MQXJIUNQFNTPNZ-CJLVFECKSA-N 322.452 4.755 50 40 DJGB CCCCCC[C@@H](Br)C(=O)c1cc(C)ccc1O 5418374 BTYBUPMGCJFHRQ-CYBMUJFWSA-N 313.235 4.617 50 40 DJGB CCOc1ccc(/C=C(\C#N)c2ccc(C)cc2)cc1OCC 560148 TUMNPCICWFSEQO-LDADJPATSA-N 307.393 4.857 50 40 DJGB CCCCOc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1 13575061 AYMRXRCYLSQJBC-DTQAZKPQSA-N 317.392 4.806 50 40 DJGB Fc1ccc(-c2nc3ccc(CBr)cc3o2)cc1 70461581 PIBRRUJHYQEISC-UHFFFAOYSA-N 306.134 4.529 50 40 DJGB C=CCc1cc(/C=C(/C#N)c2ccc(F)cc2)cc(OCC)c1O 408846305 JIRLZVKEVMSZMC-BOPFTXTBSA-N 323.367 4.723 50 40 DJGB CC(C)(C)c1ccc(C(=O)NN=C2CCCCCCC2)cc1 564294 CJSGKQBIJOJKCP-UHFFFAOYSA-N 300.446 4.814 50 40 DJGB Brc1ccc2c(c1)[C@@H](Br)c1ccccc1-2 1687546 LCSRSFIWOSPUNG-ZDUSSCGKSA-N 324.015 4.914 50 40 DJGB COc1cc(/C=C/C#N)cc(Cl)c1OCc1ccc(F)cc1 6453776 RZCXQAVVVJPEKW-NSCUHMNNSA-N 317.747 4.603 50 40 DJGB Cc1ccc(N/C=C(\C#N)c2ccc(OCCCF)cc2)cc1 100142902 OGOMVSFIBMIPRS-SAPNQHFASA-N 310.372 4.710 50 40 DJGB OCc1cc(S(F)(F)(F)(F)F)ccc1Br 169807239 DKFRSZJYMLPLGB-UHFFFAOYSA-N 313.085 4.599 50 40 DJGB Cc1ccc(SCCC(=O)NN=C2CCCCCCC2)cc1 409119058 VQDBPUDHVGGIJI-UHFFFAOYSA-N 318.486 4.694 50 40 DJGB O=C(CCCCCBr)c1cccc(C(F)(F)F)c1 575359109 SYAVNNHIGJLASC-UHFFFAOYSA-N 323.152 4.843 50 40 DJGB O=C(Cl)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 8729530 LYGBBMPJAAEDNK-UHFFFAOYSA-N 309.070 4.998 50 40 DJGB COc1ccc(-n2cccc2/C=C(/C#N)c2ccccc2)cc1 15013554 YCFXIZXEXHHHFT-VKAVYKQESA-N 300.361 4.550 50 40 DJGB N#C/C(=C\c1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1 28496266 AIMDFLXTDHQTRG-KPKJPENVSA-N 317.175 4.539 50 40 DJGB N#C/C(=C/c1ccc(-c2cccc(C(=O)O)c2)o1)c1ccccc1 409363371 LLHJYEJKBAWCDN-ATVHPVEESA-N 315.328 4.709 50 40 DJGB COc1ccc(/C=C(/C#N)c2cccc3ccccc23)c(OC)c1 6441366 LEYQDFBNOPQNQH-ATVHPVEESA-N 315.372 4.921 50 40 DJGB N#C/C(=C/c1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 33684605 CFIUNGONHQWVPQ-SDQBBNPISA-N 319.147 4.966 50 40 DJGB Cc1cc(C(=O)[C@@H](Cl)c2ccccc2)ccc1Br 137625962 ROLRVAAMTQDILV-AWEZNQCLSA-N 323.617 4.920 50 40 DJGB CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1sccc1C 33745736 ATWQIJUWVYJPCY-WJDWOHSUSA-N 324.449 4.727 50 40 DJGB C/C(=N\NC(=O)c1ccc(C)cc1C)c1cccc2ccccc12 6046582 UKBIQKOOQSJTQA-CJLVFECKSA-N 316.404 4.611 50 40 DJGB O=C(Nc1ccccc1F)NN(c1ccccc1)c1ccccc1 6885327 WKVZGNHYVCPLAV-UHFFFAOYSA-N 321.355 4.701 50 40 DJGB CCCCCCCCCCCOCCOCCOCCCl 101464259 HGYVERJIVSAWDD-UHFFFAOYSA-N 322.917 4.806 50 40 DJGB Cc1cc(C)c(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)c1 408746692 VOLQTIJBHPNFHR-GDNBJRDFSA-N 324.811 4.811 50 40 DJGB Cc1cc(N2CCCC2)ccc1/C=C(/C#N)c1ccc(F)cc1 12445823 ATNBIEOFSYPFFH-AQTBWJFISA-N 306.384 4.799 50 40 DJGB CC(C)Oc1cccc(C(=O)CCCCCBr)c1 575357668 VZGCZTJIAFJPOL-UHFFFAOYSA-N 313.235 4.612 50 40 DJGB Cc1cc2nc(/C(C#N)=C/c3cccc(Cl)c3)[nH]c2cc1C 33668571 NEKWBHCACAIMPR-RIYZIHGNSA-N 307.784 4.897 50 40 DJGB N#C/C(=C/c1ccc(N2CCCC2)cc1F)c1ccccc1F 34855853 JFBTVBYRFPMJAW-PTNGSMBKSA-N 310.347 4.629 50 40 DJGB C/C(CCc1ccccc1)=N\NC(=O)c1ccc(C(C)(C)C)cc1 8344600 KOMLEMBUZIUDLS-CJLVFECKSA-N 322.452 4.723 50 40 DJGB C/C(=N\NC(=O)[C@@H]1[C@H]2CCCC[C@@]21C)c1cccc2ccccc12 100251785 GTKCWFBFESFDIY-OZDDQQFZSA-N 320.436 4.506 50 40 DJGB N#C/C(=C\c1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 620436 PUNODEIETVYMIH-MDWZMJQESA-N 318.254 4.678 50 40 DJGB Cc1c(C)c(C)c(C(=O)c2ccccc2C(=O)Cl)c(C)c1C 2577612 USBANWCHROMYSI-UHFFFAOYSA-N 314.812 4.839 50 40 DJGB Cc1ccc(-n2cccc2/C=C(\C#N)c2ccc(F)cc2)cc1 15013751 DCWCSUWSYQGQHH-GHRIWEEISA-N 302.352 4.989 50 40 DJGB COc1ccc(SSc2ccc(OC)c(F)c2)cc1F 39431926 XIZVVANPWMMGME-UHFFFAOYSA-N 314.378 4.781 50 40 DJGB N#CC(C#N)=Cc1ccc(COc2c(Cl)cccc2Cl)o1 2766632 AXQVYVBKDCYSHL-UHFFFAOYSA-N 319.147 4.596 50 40 DJGB COc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(OC)c1 6441141 OMYFSNDMJJAEMX-YVLHZVERSA-N 315.372 4.921 50 40 DJGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(C(C)C)cc2)c1 16349565 CPSXJICMGRIYNK-PDGQHHTCSA-N 304.393 4.664 50 40 DJGB COc1ccc(CSSCc2ccc(OC)cc2)cc1 33945711 LNAZHVACIOCJFA-UHFFFAOYSA-N 306.452 4.785 50 40 DJGB N#C/C(=C/c1ccc(Br)cc1)c1cccc(F)c1 409391146 HQQDHSIACUHCON-JYRVWZFOSA-N 302.146 4.652 50 40 DJGB CCC1CCC(=NNC(=O)c2ccc(C(C)(C)C)cc2)CC1 5455751 CFVGMDHEZGFDCG-UHFFFAOYSA-N 300.446 4.670 50 40 DJGB C/C(=N/NC(=O)C1CCC(C(C)(C)C)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 107900830 FJKGFTBWQSAQEC-YVKUUDBISA-N 318.505 4.767 50 40 DJGB O=C1c2cc(Cl)sc2C2(CCCCC2)[C@H]1Br 385826 DWPOWBGVSPSKAO-JTQLQIEISA-N 319.651 4.563 50 40 DJGB COc1ccc(/C=C/C2=CC(=C(C#N)C#N)CC(C)(C)C2)cc1 3258103 XUJPYNRVGZMMEE-SNAWJCMRSA-N 304.393 4.799 50 40 DJGB O=C(c1ccc(OC(F)(F)F)cc1)[C@@H](Cl)c1ccccc1 131270851 XVLWNJXZFXWFBT-ZDUSSCGKSA-N 314.690 4.748 50 40 DJGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 108721923 QLABAIQBQNWRFP-IZZDOVSWSA-N 319.147 4.966 50 40 DJGB Cc1cc(C(=O)CCl)c(C)n1-c1ccc(Cl)c(Cl)c1 3886210 MHJAYTCNIUAPDL-UHFFFAOYSA-N 316.615 4.822 50 40 DJGB Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1C(C)C 408570632 XHCYKQORDWHXNX-NVNXTCNLSA-N 322.387 4.765 50 40 DJGB O=C(CCCCCBr)c1ccccc1C(F)(F)F 575358919 JYISQTUKBDTXEX-UHFFFAOYSA-N 323.152 4.843 50 40 DJGB CSC(SC)=C(C#N)c1nc(-c2ccccc2)cs1 556178 UKEUKTRDWMQJPJ-UHFFFAOYSA-N 304.465 4.728 50 40 DJGB BrCc1ccc2nc(-c3ccccc3)sc2c1 45923551 FDJFIWZLERFGJN-UHFFFAOYSA-N 304.212 4.858 50 40 DJGB C[C@H]1CC(C)(C)N(C(=O)[C@@H](C)Cl)c2ccc(Cl)cc21 223236139 VSKRYXQQKLAJME-VHSXEESVSA-N 300.229 4.586 50 40 DJGB CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CC[C@H]1O 14685543 CYVVUYORRQQAQE-WQKURRJUSA-N 300.442 4.688 50 40 DJGB in-vitro C[C@H](Cl)C(=O)N1c2cc(Cl)ccc2[C@@H](C)CC1(C)C 223827297 FFSPXVZVJXMZQA-UWVGGRQHSA-N 300.229 4.586 50 40 DJGB BrCc1cc2c(Br)cccc2s1 66324200 FBRWFPLYWOOCEY-UHFFFAOYSA-N 306.022 4.559 50 40 DJGB CC1=CC(C)(C)N(C(=O)CCCCl)c2ccc(Cl)cc21 223239495 FMKYJIUFRCGJLU-UHFFFAOYSA-N 312.240 4.888 50 40 DJGB CCCCOP(=O)(OCCCC)/C(C#N)=C/c1ccco1 1635047 ZMOVJJIZVIPLSQ-NTCAYCPXSA-N 311.318 4.971 50 40 DJGB CCOC(=O)/C(C#N)=C/C=C(\Cl)c1ccc(C(C)(C)C)cc1 2144957 WYSOQYZTULQLTI-BPECMGQHSA-N 317.816 4.577 50 40 DJGB C/C(=N\NC(=O)[C@H]1[C@H]2CCCC[C@]12C)c1cccc2ccccc12 100251790 GTKCWFBFESFDIY-NWCVFCECSA-N 320.436 4.506 50 40 DJGB CCCCCCCCCC[C@@H](Br)C(=O)OCC 2046208 VGYZSIMAKGWWOP-CYBMUJFWSA-N 307.272 4.844 50 40 DJGB NP1(N)=NP(Cl)(Cl)=NP(Cl)(Cl)=N1 263632990 OEASWXZMEMCUFK-UHFFFAOYSA-N 308.801 4.711 50 40 DJGB N#C/C(=C/c1cccn1-c1ccccc1F)c1cccc(F)c1 409390450 FLVZANCYPJRRQL-QINSGFPZSA-N 306.315 4.820 50 40 DJGB N#CC(C#N)=Cc1ccc(Sc2ccc(Cl)cc2)s1 566206 WXWFCDDIGYBNSE-UHFFFAOYSA-N 302.811 4.983 50 40 DJGB Cc1ccc(CSC(Nc2ccc(F)cc2)=C(C#N)C#N)cc1 535223 SXZXLSUWQJLZSZ-UHFFFAOYSA-N 323.396 4.738 50 40 DJGB O=[N+]([O-])c1ccc2c(c1)[C@H](Br)c1cc(Cl)ccc1-2 4934412 ZSYZQAKAWANKQR-CYBMUJFWSA-N 324.561 4.713 50 40 DJGB CCCCCC[C@H](Br)C(=O)c1cc(C)ccc1O 5418329 BTYBUPMGCJFHRQ-ZDUSSCGKSA-N 313.235 4.617 50 40 DJGB O=C(CCCCCCCl)c1cccc(OC(F)(F)F)c1 43212767 NXFVSZQSFOEZBN-UHFFFAOYSA-N 308.727 4.957 50 40 DJGB N#C/C(=C/c1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1 96021398 SKZOCWBKLYSQLX-YVLHZVERSA-N 313.385 4.746 50 40 DJGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)OCCC(C)C)o2)cc1 5214607 VUNQDUQUHWFEHV-SFQUDFHCSA-N 323.392 4.751 50 40 DJGB Cc1cccc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)c1 63412586 VINZCMAMTRBYMN-MHWRWJLKSA-N 303.390 4.578 50 40 DJGB O=C(CCCC[C@@H]1CCSS1)Nc1ccc2cc[nH]c2c1 72325538 ZKBOFWZBFXDIIP-CQSZACIVSA-N 320.483 4.821 50 40 DJGB biogenic Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)OCCC(C)C)o2)cc1 44932801 VUNQDUQUHWFEHV-ATVHPVEESA-N 323.392 4.751 50 40 DJGB CC(C)(C)c1ccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1 408540964 ACCOZXYIFIYZHN-ATVHPVEESA-N 305.377 4.746 50 40 DJGB Cc1cc(C)c(COc2ccc(F)cc2)c(C)c1C=C(C#N)C#N 135422 PIPXDACYQXTBNN-UHFFFAOYSA-N 320.367 4.761 50 40 DJGB O=C(/N=N/c1ccccc1Cl)NNc1ccccc1Cl 18152236 OWJCFKXXPSKMEY-HTXNQAPBSA-N 309.156 4.814 50 40 DJGB C/C(=N/NC(=O)C1CCC(C(C)(C)C)CC1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100064414 FJKGFTBWQSAQEC-IAQQTAPQSA-N 318.505 4.767 50 40 DJGB N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)c1cccc2ccccc12 6496597 IZYCRSJZMZIJTN-GDNBJRDFSA-N 316.316 4.518 50 40 DJGB Cc1[nH]c2ccccc2c1/C=C(/C#N)c1nc2ccc(F)cc2[nH]1 408566401 GCKXAJKWQNAHDG-WQLSENKSSA-N 316.339 4.556 50 40 DJGB N#C/C(=C/c1cccc(Br)c1)c1cccc(F)c1 409394094 VNMHZAXKYSAAAT-QPEQYQDCSA-N 302.146 4.652 50 40 DJGB N#C/C(=C/c1ccc(N2CCCCC2)o1)c1ccc(Cl)cc1 59138013 ZLCMDXGEBWBSJB-QINSGFPZSA-N 312.800 4.987 50 40 DJGB CC(C)(C)C1CCC(=NNC(=O)c2ccccc2Cl)CC1 5159403 DRQZAKJYZTWECY-UHFFFAOYSA-N 306.837 4.662 50 40 DJGB CCCCCCCCC(=O)N/N=C/c1c(F)cccc1Cl 97965568 NLBYWFCZGFHVBY-XDHOZWIPSA-N 312.816 4.680 50 40 DJGB CC[C@H](Cl)CSC(=O)S[C@H](Cl)C(Cl)Cl 1568392 UIFYNPRTCJQHLZ-NJGYIYPDSA-N 316.102 4.959 50 40 DJGB COc1ccc(/C=C(/C#N)c2ccc3ccccc3c2)c(OC)c1 108047752 AIFFYTHDBRIZHN-UNOMPAQXSA-N 315.372 4.921 50 40 DJGB O=C(CCCCCl)c1cccc(OCc2ccccc2)c1 382705818 SQDBUNDREBCBTA-UHFFFAOYSA-N 302.801 4.857 50 40 DJGB CC1(C)OC12[C@@H]1C3=C([C@@H]2c2ccccc21)[C@H](Cl)C=C[C@@H]3Cl 101050711 JSEYTPMVKKYTJC-XRQFSXCBSA-N 319.231 4.510 50 40 DJGB Cc1cc(C(=O)CCl)c(C)n1-c1cccc(C(F)(F)F)c1 3326575 DNYPNPGMOPUINU-UHFFFAOYSA-N 315.722 4.534 50 40 DJGB CC1=CCC[C@@H]2[C@@](C)(CC/C(C=O)=C\C(=O)O)[C@H](C)CC[C@@]12C 31162309 LUZARHTWSOXFLP-HEZUFYQYSA-N 318.457 4.775 50 40 DJGB biogenic,in-vitro C/C(=N\NC(=O)c1ccccc1Cl)c1cccc2ccccc12 408590868 QVIGAVATAMCWBQ-FYJGNVAPSA-N 322.795 4.647 50 40 DJGB ClC(Cl)(Cl)C[C@@H](Br)c1ccccc1 2041841 GYXDKVQPLSJHKZ-MRVPVSSYSA-N 302.426 4.883 50 40 DJGB CSc1cccc(C(=O)CCCCCBr)c1 382676632 UKGXGZZKFKWWNB-UHFFFAOYSA-N 301.249 4.547 50 40 DJGB N#C/C(=C\c1ccccc1)c1nc(-c2ccccc2O)cs1 13014900 CDOPNLPDCBTYSE-GXDHUFHOSA-N 304.374 4.580 50 40 DJGB ClCCN(CCCl)C1c2ccccc2-c2ccccc21 1769264 QRTVGDHWVFVOBT-UHFFFAOYSA-N 306.236 4.536 50 40 DJGB Cc1cc(/C=C(\C#N)c2ccc(F)cc2)c(C)n1-c1ccncc1 4678152 PKELDDLCVNMZIX-LDADJPATSA-N 317.367 4.692 50 40 DJGB CCCC1CCC(=NNC(=O)c2cc3ccccc3cc2O)CC1 5308114 TWIDYMIHFQMEIB-UHFFFAOYSA-N 324.424 4.622 50 40 DJGB Cc1ccc(/C(C#N)=C/c2ccc(O)c(Br)c2)cc1 560330 IHICNFKRNZRPKY-RIYZIHGNSA-N 314.182 4.527 50 40 DJGB Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1ccccn1 6266160 GTWBGXXBIRBRCX-ATVHPVEESA-N 317.367 4.692 50 40 DJGB CS(=O)(=O)SCCCCCCCCCCCCN=[N+]=[N-] 65734469 BXHBVKJTDVAERM-UHFFFAOYSA-N 321.512 4.891 50 40 DJGB in-vitro O=C(c1ccc(Br)s1)[C@H](Cl)c1ccccc1 88111932 TXIUVGISAKAOTC-LLVKDONJSA-N 315.619 4.673 50 40 DJGB C/C(=N/NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(C)cc1C 23410860 XSIULOVETRXBOT-JWGURIENSA-N 322.452 4.755 50 40 DJGB N#C/C(=C\c1cc2c(cc1Cl)OCO2)c1ccc(Cl)cc1 495952 AEOHTFFTCNVJIM-LFYBBSHMSA-N 318.159 4.786 50 40 DJGB O=C(CCCCl)c1cccc(OCc2cccc(F)c2)c1 575357287 CFHRTKRIHYTZAG-UHFFFAOYSA-N 306.764 4.606 50 40 DJGB C[C@@H](/C=N/NC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 4155501 SAFXMOKXWQFWMP-VSMYLPJWSA-N 321.207 4.513 50 40 DJGB C[C@@H](SCc1ccccc1)C(=O)NN=C1CCCCCCC1 313793 GDVVTKBOJBRZRR-OAHLLOKOSA-N 318.486 4.525 50 40 DJGB O=C(O)CCCCCCCCCC[C@H](F)CBr 98174871 OJPJTFMBRILQOH-LBPRGKRZSA-N 311.235 4.705 50 40 DJGB COc1ccc(/C(C#N)=C/c2c(O)ccc3ccccc23)cc1 408584035 ZOKYTXQOWSZWFQ-FOWTUZBSSA-N 301.345 4.618 50 40 DJGB CC[C@@H](C)c1ccc2nc(NC(=O)CCCCl)sc2c1 20133605 IGTZCOBDCIJRGN-SNVBAGLBSA-N 310.850 4.767 50 40 DJGB CC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)C/C=C(\C=O)CC(=O)O 257534962 RRVWWISJQFUJSD-ZJDPNWPPSA-N 318.457 4.775 50 40 DJGB biogenic,in-vitro CCCOc1ccc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1 408583419 UKNZQCZRACYVFI-SFQUDFHCSA-N 323.392 4.557 50 40 DJGB Cc1ccc(C)c([C@@H](C)CCN(CCCl)CCCl)c1 98048262 GLEBNTDNPKTGIA-HNNXBMFYSA-N 302.289 4.577 50 40 DJGB CC(C)c1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1 408568870 XERLXEGQUYWKBZ-DHDCSXOGSA-N 305.356 4.890 50 40 DJGB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC/C2=N\NC=O 6779761 HFZBDAPJPLSLRS-IKMICOFHSA-N 316.489 4.521 50 40 DJGB O=C(CCl)Oc1c(Cl)cc(Cl)cc1-c1ccccc1 1586572 NCHKDADWCKFWEV-UHFFFAOYSA-N 315.583 4.805 50 40 DJGB Cc1ccc(/N=N\c2ccc(C)cc2NC(=O)CCl)cc1 104163240 DFKIIDHXVSMBSI-VXPUYCOJSA-N 301.777 4.896 50 40 DJGB ClCCN(CCCl)c1ccc(Oc2ccccc2)cc1 1689073 JJOMUOBVZPKILJ-UHFFFAOYSA-N 310.224 4.763 50 40 DJGB O=C(/C=C/c1ccc(Cl)cc1)c1ccc(O)c(CCCl)c1 13004315 KGLLXZWFVIZVQQ-XVNBXDOJSA-N 321.203 4.723 50 40 DJGB CCCC(CCC)=NNC(=O)C(c1ccccc1)c1ccccc1 59515934 OCFYTADHJJDBMJ-UHFFFAOYSA-N 322.452 4.891 50 40 DJGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)cc1C 74351 DXQPPBYFFBNIDJ-XDHOZWIPSA-N 318.420 4.973 50 40 DJGB CCCCCC[C@H](CCCC)COC(=O)CBr 5524268 PIBYANMZXWTHQM-ZDUSSCGKSA-N 307.272 4.701 50 40 DJGB CC1=NN(c2ccccc2)S2=C1C=C(c1ccccc1)S2 17118451 YGUXUVUWLPDPDS-UHFFFAOYSA-N 310.447 4.942 50 40 DJGB Cc1ccccc1/C=C(/C#N)C(=O)c1c(C)[nH]c2ccccc12 33471298 JGSYAFHXFYKLQD-WJDWOHSUSA-N 300.361 4.575 50 40 DJGB N#CC(C#N)=Cc1c(OCc2ccccc2)ccc2ccccc12 59399052 BRDHSGWSSDIDNL-UHFFFAOYSA-N 310.356 4.849 50 40 DJGB c1ccc(P(c2ccccc2)c2ccc3ccccc3c2)cc1 79741420 JBTWIHJOVPCHSB-UHFFFAOYSA-N 312.352 4.598 50 40 DJGB O=C(c1cccc(OC(F)(F)F)c1)[C@@H](Cl)c1ccccc1 314414832 PXMSOVNWXYLEGH-ZDUSSCGKSA-N 314.690 4.748 50 40 DJGB Cc1ccccc1NC(SCc1cccc(F)c1)=C(C#N)C#N 125302 XFTZCEMULLFELF-UHFFFAOYSA-N 323.396 4.738 50 40 DJGB CCOc1ccc(/C=C(/C#N)c2cccc(F)c2)cc1OCC 409393019 ORIWQSBTMKJWET-YBEGLDIGSA-N 311.356 4.687 50 40 DJGB C[C@H]([C@@H](Cl)c1cccc(C(F)(F)F)c1)N(C)CCCl 1690697 GUZMQMASNZQWCQ-BXKDBHETSA-N 314.178 4.544 50 40 DJGB Cc1cc2nc(/C(C#N)=C/c3c[nH]c4ccccc34)[nH]c2cc1C 76538828 AZYSHOSASLWFRL-NTEUORMPSA-N 312.376 4.725 50 40 DJGB CCOc1ccc(/C=C(\C#N)c2ccc(OC)cc2)cc1OCC 408583942 YWZFJNLYYOFEJE-SFQUDFHCSA-N 323.392 4.557 50 40 DJGB N#C/C(=C/c1ccc(N2CCCC2)c(F)c1)c1cccc(F)c1 409392489 MWLQVECCGBDANB-YBEGLDIGSA-N 310.347 4.629 50 40 DJGB COc1ccc2c(c1)[C@H]1c3ccccc3[C@@H]2[C@H](Cl)[C@@H]1Cl 4800591 AWOQBDWSBHNCDK-VVLHAWIVSA-N 305.204 4.501 50 40 DJGB C/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(C)s1 5618528 DPEBGXCVHNMHJC-CPNJWEJPSA-N 314.454 4.508 50 40 DJGB N#C/C(=C/c1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 33618460 ZHCPCXJZIWHZMP-JYRVWZFOSA-N 318.254 4.678 50 40 DJGB CC(C)N1C(=O)c2ccccc2[S@]1(Cl)c1ccccc1 104233522 XOULPJLOLPILQW-UHFFFAOYSA-N 305.830 4.842 50 40 DJGB O=C(CCCCl)Nc1nc2c(Cl)cc(Cl)cc2s1 20133559 XELCNNXBGKKGHN-UHFFFAOYSA-N 323.632 4.561 50 40 DJGB CC[C@H](C)c1ccc(Nc2nc(/C(C#N)=C(/C)N)cs2)cc1 22194987 KWKDNTNXGPQGKQ-HTEPKEGRSA-N 312.442 4.613 50 40 DJGB CCOc1ccc(Cl)c2sc(C(=O)Cl)c(Cl)c12 72209073 XBBPEXCAFGPXCY-UHFFFAOYSA-N 309.601 4.986 50 40 DJGB CCc1ccc(/C(C)=N/NC(=O)c2ccc3ccccc3c2)cc1 408599273 RMYYOOYWBGUODF-PXLXIMEGSA-N 316.404 4.556 50 40 DJGB CCOc1cc(/C=C(\C#N)c2ccccn2)ccc1OCC(C)C 7155332 SBGAGPLXGKWMCT-GZTJUZNOSA-N 322.408 4.579 50 40 DJGB CC(C)(C)c1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1 33347189 UBHYDZKHTJRMNP-VBKFSLOCSA-N 306.365 4.956 50 40 DJGB O=C(c1cc(F)c(Cl)c(F)c1)[C@@H](Cl)c1ccccc1 575357856 XBFAOVSDKYOZFA-LBPRGKRZSA-N 301.119 4.781 50 40 DJGB CC1=C(C#N)C(/C=C(/Cl)c2ccc(C)c(C)c2)C(C#N)=C(C)N1 19944831 ATZCZBLTXBZTJG-UFWORHAWSA-N 323.827 4.698 50 40 DJGB Cc1ccc(-c2csc(/C(C#N)=C3/CCCCCN3)n2)cc1 25337000 DHCCYZJLFCIRQI-NXVVXOECSA-N 309.438 4.517 50 40 DJGB CCn1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c2ccccc21 35585899 ZGYBKGPBTCSDRN-PTNGSMBKSA-N 317.348 4.634 50 40 DJGB CCOC(=O)/C(C#N)=C/c1c2ccccc2c(C)c2ccccc12 39557472 NDQHXEFOVPKYCC-NTCAYCPXSA-N 315.372 4.772 50 40 DJGB N#C/C(=C/c1ccc(-c2ccccc2)o1)c1nc2ccccc2[nH]1 4535408 ZGLFXVOERLLGDG-QINSGFPZSA-N 311.344 4.887 50 40 DJGB N#C/C(=C\c1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1 437456 AXGHTYMSIJELIE-SFQUDFHCSA-N 300.317 4.812 50 40 DJGB CC/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 45942 UNZISNXLRACWBU-XDJHFCHBSA-N 321.207 4.538 50 40 DJGB N#C/C(=C/c1cc2ccccc2o1)c1nc(-c2ccccc2)no1 58174955 ACAFNRQXOQZOGQ-PTNGSMBKSA-N 313.316 4.547 50 40 DJGB O=C(Cl)/C=C/c1ccc(OCc2ccccc2Cl)cc1 62715551 CMLYAMYFEHZZCK-JXMROGBWSA-N 307.176 4.698 50 40 DJGB O=C(F)c1c(Cl)c(Cl)c(C(=O)F)c(Cl)c1Cl 97949876 MNTOCEBLEDNJIX-UHFFFAOYSA-N 307.894 4.520 50 40 DJGB BrCCCCn1c2ccccc2c2ccccc21 34184836 IXCQFUSWIBGIQG-UHFFFAOYSA-N 302.215 4.970 50 40 DJGB C[C@H](Br)Oc1c(Cl)cc(Cl)cc1Cl 22114296 BYBZZEGZIGZHFS-SCSAIBSYSA-N 304.398 4.767 50 40 DJGB N#C/C(=C/c1cccs1)C(=O)Nc1c(Cl)cccc1Cl 33339711 JLEMKEWBYFNRPI-CLFYSBASSA-N 323.204 4.601 50 40 DJGB CCC1(CC)Cc2ccccc2/C(=C(\C#N)c2ccccc2)N1 100158638 LNESIBMQBHSVCS-VXPUYCOJSA-N 302.421 4.783 50 40 DJGB Cc1cccc(C)c1OP(=O)(c1ccccc1)c1ccccc1 97951105 YBZNIXITXQQEBY-UHFFFAOYSA-N 322.344 4.611 50 40 DJGB CC1=CC(C)(C)N(C(=O)CCCCl)c2cc(C)c(C)cc21 223239743 NLTAHNMOIBBTMW-UHFFFAOYSA-N 305.849 4.851 50 40 DJGB N#C/C(=C/c1ccccc1[N+](=O)[O-])c1cccc2ccccc12 6496628 SRGJJQYUHYILLM-VBKFSLOCSA-N 300.317 4.812 50 40 DJGB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(CCl)cc1 37343044 UMURPEDZSJFZJD-UHFFFAOYSA-N 313.706 4.697 50 40 DJGB Cc1ccc(-n2cccc2/C=C(/C#N)c2ccccc2F)cc1 107716470 ZFMHSDVWRYJCOS-SSZFMOIBSA-N 302.352 4.989 50 40 DJGB COc1ccccc1/C=C(\C#N)Sc1nc2ccccc2s1 1051041 PKMZLHNHVNHFAH-JLHYYAGUSA-N 324.430 4.962 50 40 DJGB CCCCCCCCCCCCOc1ccc(C(=O)NN)cc1 100961407 AMBMXQXNDJESLB-UHFFFAOYSA-N 320.477 4.590 50 40 DJGB COc1ccc(/C(C#N)=C/c2ccc(OC(C)C)cc2)cc1OC 408580357 OUQDKGLZYFFKAQ-GZTJUZNOSA-N 323.392 4.555 50 40 DJGB CCc1ccc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1 169967286 UHLJNNCRGXEQRQ-BOPFTXTBSA-N 301.393 4.806 50 40 DJGB COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(Cl)c1O 222139255 HXDJKOPNUYIIDC-SDQBBNPISA-N 320.175 4.772 50 40 DJGB CCCC[C@@H](CC)COC(=O)/C(C#N)=C/C=C/c1ccccc1 2583825 YWZLSHJSUDBZRY-MHNOADFJSA-N 311.425 4.909 50 40 DJGB COc1ccc(/C=C(/C#N)c2cccc3ccccc23)cc1O 6441667 RXMLKPKGXPDZTF-WJDWOHSUSA-N 301.345 4.618 50 40 DJGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(C(C)C)cc1 59474975 VQHYJVMIFXFFKO-PDGQHHTCSA-N 304.393 4.664 50 40 DJGB Cc1cc(C)c(-c2csc(NC(=O)CCCCl)n2)c(C)c1 3175330 UDZQHDRZDFWTRE-UHFFFAOYSA-N 322.861 4.693 50 40 DJGB CC(C)C1CCC(/C=C(\C#N)C2CCC([N+](=O)[O-])CC2)CC1 16911503 TXBIUVMANAJAFT-GZTJUZNOSA-N 304.434 4.734 50 40 DJGB CCCC[C@H](CC)COC(=O)/C(C#N)=C/C=C\c1ccccc1 100297899 YWZLSHJSUDBZRY-IINHSKMYSA-N 311.425 4.909 50 40 DJGB CCCOc1ccc(/C=C(\C#N)c2ccc(OC)cc2)cc1OC 408582013 LAMMOUNAARLGIU-SFQUDFHCSA-N 323.392 4.557 50 40 DJGB FC(F)(F)Oc1cc(Br)cc(CCCCl)c1 199549839 ATDSDEWYKAGOHY-UHFFFAOYSA-N 317.532 4.519 50 40 DJGB Cc1cc(OCc2ccc(C=C(C#N)C#N)o2)cc(C)c1Cl 2770996 GXXNMDZSEQXJID-UHFFFAOYSA-N 312.756 4.559 50 40 DJGB C[C@]12CCCC[C@@H]1CC[C@H]1[C@@H]3CC[C@](O)(C#N)[C@@]3(C)CC[C@H]12 80433908 GYZIETHYKFOHGQ-JPDRSCFKSA-N 301.474 4.674 50 40 DJGB N#C/C=C/c1cc(Br)ccc1OCc1ccccc1 6228524 HIXQSQFIOVZBPZ-QPJJXVBHSA-N 314.182 4.565 50 40 DJGB N#C/C(=C/c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)cc1 59116981 AGFGWKCLHIGHLO-CLFYSBASSA-N 323.204 4.601 50 40 DJGB CCCc1cc(C(=O)N/N=C2\C[C@H]3CC[C@@]2(C)C3(C)C)cs1 103350416 ZNHWQJQPQYULGI-OXXLSJDNSA-N 318.486 4.633 50 40 DJGB N#C/C(=C\c1cccc(Cl)c1Cl)c1nc2ccccc2[nH]1 6209318 XGXLHWXJIZOYPE-DHZHZOJOSA-N 314.175 4.934 50 40 DJGB Cc1ccc(OC[C@H](C)N(CCCl)Cc2ccccc2)cc1 6522585 VCFQLLIMAQUHHX-KRWDZBQOSA-N 317.860 4.503 50 40 DJGB N#C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1 40889195 MKFKRRKPCJBNMS-WQLSENKSSA-N 317.175 4.539 50 40 DJGB O=C(Cl)c1ccccc1/C=C/c1ccccc1C(=O)Cl 68564036 AKVPLPCJPDBNSC-MDZDMXLPSA-N 305.160 4.615 50 40 DJGB N#C/C=C/c1ccccc1OCc1ccc(Br)cc1 76562418 DIDYCZRQDNFLCB-HWKANZROSA-N 314.182 4.565 50 40 DJGB N#C/C(Sc1ccccc1)=C1/SCCN1c1ccccc1 6045604 HIOADUPRHXVOFG-MSUUIHNZSA-N 310.447 4.725 50 40 DJGB O=C(CBr)c1ccc(-c2ccc(Cl)cc2)cc1 8764150 VEZSDYKJTTXNDS-UHFFFAOYSA-N 309.590 4.585 50 40 DJGB C[C@H](Cl)C(=O)N1c2cc(Cl)ccc2[C@H](C)CC1(C)C 223827406 FFSPXVZVJXMZQA-ZJUUUORDSA-N 300.229 4.586 50 40 DJGB O=C(CCCCCl)c1cc(OC(F)(F)F)ccc1Cl 575361605 WTOQBIYSRHQSSU-UHFFFAOYSA-N 315.118 4.830 50 40 DJGB Cc1cc(C(=O)CCl)c(C)n1-c1cc(Cl)cc(Cl)c1 2661426 YSFLRNRMGBTNSJ-UHFFFAOYSA-N 316.615 4.822 50 40 DJGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 40144642 DKFISZNCJJFRSI-YRNVUSSQSA-N 319.147 4.966 50 40 DJGB N#C/C(=C\c1cccc(C(F)(F)F)c1)c1nc2ccccc2[nH]1 5286498 TZAGFQVJOAIKPP-XYOKQWHBSA-N 313.282 4.646 50 40 DJGB C/C(=N\NC(=O)Nc1ccccc1)c1ccc(C(C)(C)C)cc1 408774795 CYLPMTUVVXDCGP-KGENOOAVSA-N 309.413 4.530 50 40 DJGB CCCCCCCC(=O)N/N=C/c1ccc(Cl)cc1Cl 3155736 FESWDIJEECQHLU-WOJGMQOQSA-N 315.244 4.804 50 40 DJGB N#C/C(=C/c1ccsc1)C(=O)Nc1cccc(Cl)c1Cl 5756669 RXZSIWVEEZWOQQ-POHAHGRESA-N 323.204 4.601 50 40 DJGB N#C/C(C(=O)c1cc2ccccc2o1)=C1\Nc2ccccc2S1 13125436 WCMXNEZSFIXNSM-PDGQHHTCSA-N 318.357 4.568 50 40 DJGB CCCc1cc(C(=O)N/N=C2/C[C@@H]3CC[C@]2(C)C3(C)C)cs1 102327608 ZNHWQJQPQYULGI-NRBXHDJBSA-N 318.486 4.633 50 40 DJGB N#C/C(=C/c1cccc2ccccc12)C(=O)Nc1ccc(F)cc1 107941508 MAQGTNXAUBMGNZ-VBKFSLOCSA-N 316.335 4.525 50 40 DJGB CC/C(=C(\C#N)c1ccc(OC)cc1)c1ccc(N(C)C)cc1 1717627 GWDIOVUCOXILCO-VXPUYCOJSA-N 306.409 4.606 50 40 DJGB C[C@H]1CCC/C(=N\NC(=O)c2ccc(-c3ccccc3)cc2)C1 33653961 PHHOFHHCCHNUTJ-APFMSCDFSA-N 306.409 4.650 50 40 DJGB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CC/C2=N\NC=O 118916292 HFZBDAPJPLSLRS-DDGWLOKMSA-N 316.489 4.521 50 40 DJGB CCOc1cccc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c1 408599571 WNISAJMAMJFSLD-RVDMUPIBSA-N 321.405 4.618 50 40 DJGB BrCc1cc(CBr)c2ccccc2c1 3167871 CXQMWXOULXGMEY-UHFFFAOYSA-N 314.020 4.630 50 40 DJGB Cc1ccccc1-n1cccc1/C=C(/C#N)c1ccccc1F 6391712 XWAUCOSTWKLWBA-SSZFMOIBSA-N 302.352 4.989 50 40 DJGB N#C/C(=C/c1c(Cl)cccc1Cl)c1nc2ccccc2[nH]1 12367936 HWKSRYZZIQPFOK-NTMALXAHSA-N 314.175 4.934 50 40 DJGB O=C(Nc1ccccc1)N(Nc1ccccc1)c1ccccc1 18193526 INAYJPHGGFBRDY-UHFFFAOYSA-N 303.365 4.752 50 40 DJGB O=C(C=Cc1ccc(OCCCCl)cc1)c1ccccc1 2049243835 LNSFMSLLKMWYOR-UHFFFAOYSA-N 300.785 4.590 50 40 DJGB CC[C@@H](Cl)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 575360247 ABLHRUJWFZNJLU-SECBINFHSA-N 318.644 4.924 50 40 DJGB CCN(CC)c1ccc(/C=C(/C#N)c2ccccc2F)c(OC)c1 107863959 IICACPNBIXJWOC-VBKFSLOCSA-N 324.399 4.745 50 40 DJGB CC(C)(CCl)C(=O)c1ccc(OCc2ccccc2)cc1 382692830 JJGWXDYUQXWSLL-UHFFFAOYSA-N 302.801 4.713 50 40 DJGB Cc1cc(C=C(C#N)C#N)c(C)n1-c1cccc(C(F)(F)F)c1 6209250 OEDPBNPFZVZTSL-UHFFFAOYSA-N 315.298 4.544 50 40 DJGB O=C(CCl)N(CC1CCCCC1)c1cccc2ccccc12 199757467 UGXZIIDRHGYXLH-UHFFFAOYSA-N 315.844 4.992 50 40 DJGB N#C/C(=C/c1ccc(-c2ccccc2)o1)c1ccc(C(=O)O)cc1 4813707 PDZHZCHQSIDFCS-ATVHPVEESA-N 315.328 4.709 50 40 DJGB O=P(C/C=C/c1ccccc1)(c1ccccc1)c1ccccc1 98175048 OKSIVSNKUUISMW-JLHYYAGUSA-N 318.356 4.714 50 40 DJGB C[Si](C)(Cc1ccccc1)O[Si](C)(C)Cc1ccccc1 169818981 JOZICAJUSHUZLD-UHFFFAOYSA-N 314.577 4.977 50 40 DJGB in-vitro CC[C@H](Cl)C(=O)c1ccc(COc2cc(F)ccc2F)cc1 575358064 HNFUYCXCTRSRDD-AWEZNQCLSA-N 324.754 4.744 50 40 DJGB FC(F)(F)Oc1cc(CBr)cc(Cl)c1Cl 98210763 MGTYWGMUKXIFIJ-UHFFFAOYSA-N 323.923 4.787 50 40 DJGB N#C/C(=C/c1cc(Cl)c(O)c(Cl)c1)c1cccc(F)c1 409392110 LDIGEYLQOOPDRU-WCIBSUBMSA-N 308.139 4.902 50 40 DJGB CC(C)(C)c1cc(CBr)cc(CBr)c1 113635041 OHACYDZJVSOZTL-UHFFFAOYSA-N 320.068 4.774 50 40 DJGB O=C(Nc1ccccc1CCl)Nc1ccccc1CCl 1579301 QKDJULLJGWGLBW-UHFFFAOYSA-N 309.196 4.808 50 40 DJGB OCc1ccc(S(F)(F)(F)(F)F)cc1Br 169807241 DGEGAQRWZUBUID-UHFFFAOYSA-N 313.085 4.599 50 40 DJGB BrCc1cc2cc(Br)ccc2s1 34371870 ZIYHWMODTVOWAT-UHFFFAOYSA-N 306.022 4.559 50 40 DJGB N#C/C(C(=O)c1ccc(Cl)s1)=C1/Nc2ccccc2S1 100812869 JSMSIOCBFYOJIN-RIYZIHGNSA-N 318.810 4.537 50 40 DJGB CCOc1ccc(Cl)cc1/C=C(\C#N)c1ccccc1F 107906511 AQXAJTVOFBFSCK-UKTHLTGXSA-N 301.748 4.942 50 40 DJGB O=C(C[C@@H](Cl)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 2564963 VIPJNCOQIXIPPX-SECBINFHSA-N 320.430 4.890 50 40 DJGB COc1ccc(N[P@](=O)(Cl)C(Cl)(Cl)Cl)cc1 97983202 NXWSVMIZRGTJFS-MRXNPFEDSA-N 322.943 4.867 50 40 DJGB O=C(CCSc1ccc(Cl)cc1)NN=C1CCCCCC1 320378 MZYCVBVUCUIOFM-UHFFFAOYSA-N 324.877 4.649 50 40 DJGB CC[C@@H](Cl)CSC(=O)S[C@H](Cl)C(Cl)Cl 1568393 UIFYNPRTCJQHLZ-XINAWCOVSA-N 316.102 4.959 50 40 DJGB Fc1c(Cl)cc(C(F)(F)F)cc1CCCBr 106488098 LUNSXYDLWSYUII-UHFFFAOYSA-N 319.523 4.825 50 40 DJGB CC(C)(C#Cc1ccc(Cl)c(Cl)c1)O[Si](C)(C)C 575180678 LBLJLUJNQFEVAC-UHFFFAOYSA-N 301.289 4.975 50 40 DJGB Cc1ccc(N/C=C(\C#N)c2nc3ccccc3s2)c(C)c1 2410819 ZBCWBSFDMWBQKL-SDNWHVSQSA-N 305.406 4.890 50 40 DJGB C/C(=N\NC(=O)[C@@H]1[C@H]2CCCC[C@]21C)c1cccc2ccccc12 101728820 GTKCWFBFESFDIY-WIZCWTDBSA-N 320.436 4.506 50 40 DJGB CCOC(=O)c1ccc(/C(C#N)=C\c2ccc(Cl)cc2)cc1 4769459 GOWKGOGXSKCNPN-WJDWOHSUSA-N 311.768 4.581 50 40 DJGB Cc1c(C)c(C)c(C(=O)CCCCBr)c(C)c1C 575358900 WTICFSIZICDMLY-UHFFFAOYSA-N 311.263 4.977 50 40 DJGB Cc1ccc(N(C(=O)CCl)c2nc3ccccc3s2)cc1 4205917 OJZPNRPLDDABGS-UHFFFAOYSA-N 316.813 4.508 50 40 DJGB C/C(=N\NC(=O)c1ccc(Cl)cc1)c1cccc2ccccc12 4697577 BCLRMJUPNNUYHW-FYJGNVAPSA-N 322.795 4.647 50 40 DJGB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)C#N 118916435 GYZIETHYKFOHGQ-LFGUEBOJSA-N 301.474 4.674 50 40 DJGB C/C(=N/NC(=O)c1sc2ccccc2c1Cl)C(C)(C)C 46420 YIQAMGVMWXCIDS-MFOYZWKCSA-N 308.834 4.707 50 40 DJGB O=C(Nc1cccc(Cl)c1Cl)c1ccc(CCl)cc1 34440091 MKSNKCZECVBZRX-UHFFFAOYSA-N 314.599 4.985 50 40 DJGB CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1O 560415 DIOOUUHEESPBDD-OVCLIPMQSA-N 313.784 4.817 50 40 DJGB CCn1c(C)c(/C=C(\C#N)c2ccc(C#N)cc2)c2ccccc21 582378 VLDLFFQUMLLPAY-LDADJPATSA-N 311.388 4.905 50 40 DJGB O=C(Cl)c1cc(-c2c(F)cccc2F)oc1C(F)(F)F 2243860 UGHIHEBNSOTACX-UHFFFAOYSA-N 310.605 4.623 50 40 DJGB Cc1ccc(NC(=O)NN(c2ccccc2)c2ccccc2)cc1 6922943 JTXADOLRZUOCAI-UHFFFAOYSA-N 317.392 4.870 50 40 DJGB BrCc1ccc(-c2nc3ccccc3s2)cc1 39471356 XXGFUKAVDJZZAM-UHFFFAOYSA-N 304.212 4.858 50 40 DJGB C[C@@H](Cl)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 514251579 BBCSTOHYFGQCCV-RXMQYKEDSA-N 304.617 4.534 50 40 DJGB N#C/C(=C\c1ccccc1)C(=O)Nc1c(Cl)cccc1Cl 23724108 YLJIRHXIQUWESZ-FMIVXFBMSA-N 317.175 4.539 50 40 DJGB CC(C)(CCl)C(=O)c1cccc(OCc2ccccc2)c1 382703562 QNBCHZMMYLKZNH-UHFFFAOYSA-N 302.801 4.713 50 40 DJGB Cc1ccc(NC(=O)/C(C#N)=C/c2sccc2C)cc1Cl 408735401 RNTJTSMZLGJHIQ-KPKJPENVSA-N 316.813 4.564 50 40 DJGB N#CC(C#N)=Cc1ccc(OCc2cccc3ccccc23)cc1 1410802 PZNNKHZJZNPYGY-UHFFFAOYSA-N 310.356 4.849 50 40 DJGB Cc1ccccc1N/C(S)=C(\C#N)c1nc2ccccc2s1 12574164 ZMKDQINBDNCVLP-VBKFSLOCSA-N 323.446 4.839 50 40 DJGB N#C/C(=C/c1ccc(N2CCCC2)c(F)c1)c1ccccc1F 35074869 ONJKUSWVOFSEOG-PTNGSMBKSA-N 310.347 4.629 50 40 DJGB Cc1cc(Br)cc(C)c1C(=O)CCCCCl 309372924 TUEANTQCQGYEGY-UHFFFAOYSA-N 303.627 4.658 50 40 DJGB CCCCCCOc1ccc(/C=N/NC(=O)OC(C)(C)C)cc1 5711799 MKSNVQICWOHTFC-XMHGGMMESA-N 320.433 4.504 50 40 DJGB N#C/C(=C\c1ccc(SC(F)(F)F)cc1)c1ccccn1 12533026 OTMMRQPPHJVQFL-FMIVXFBMSA-N 306.312 4.758 50 40 DJGB CC[C@H](C)Oc1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1 6358355 MXPHFGJRDMAMMD-FMNVXAMXSA-N 322.364 4.836 50 40 DJGB Cc1cccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c1 7159312 AHHHAULRHKZDME-QGOAFFKASA-N 312.372 4.694 50 40 DJGB C[Si](C)(C)O[C@@]1(CC(=O)c2ccccc2)Cc2ccccc21 195753092 MQWFSVPRZFRROK-LJQANCHMSA-N 310.469 4.563 50 40 DJGB CC(C)(C)[C@H]1CCc2sc(-c3nnc(CCl)o3)cc2C1 3356893 PCTKKEHLPGWZBL-JTQLQIEISA-N 310.850 4.688 50 40 DJGB CCCCCCCCC(=O)N/N=C(\C)c1ccc(OCC)cc1 8398278 SMBPVYRCSAFTGN-CAPFRKAQSA-N 318.461 4.676 50 40 DJGB COc1ccc(-n2cccc2/C=C(/C#N)c2ccccc2F)cc1 33701745 WVGPJEVLFDHKIW-SQFISAMPSA-N 318.351 4.689 50 40 DJGB N#C/C(=C/c1cc(Br)cs1)c1ccccc1F 33784536 QUJQUVWWLDOVTM-UITAMQMPSA-N 308.175 4.714 50 40 DJGB CC[C@@H](C)Oc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1 409374648 VSMHRQRZYGSQEB-IZCBMXNHSA-N 317.392 4.804 50 40 DJGB COc1cc(Cl)c(/C=C(/C#N)c2ccccc2F)cc1OC 33730299 PYSWSAQMSQDJCS-GHXNOFRVSA-N 317.747 4.560 50 40 DJGB CC(=O)Oc1ccc(/C=C(/C#N)c2cccc3ccccc23)cc1 6305763 IGIGWIWTEIDCRC-AQTBWJFISA-N 313.356 4.829 50 40 DJGB CC(C)(C)C(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)cc1 6209289 MMJQFDHMXNQIEO-QGOAFFKASA-N 319.404 4.788 50 40 DJGB Cc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c1 408986132 LRVINMBQOOIJDA-DHDCSXOGSA-N 310.784 4.503 50 40 DJGB COc1cccc(/C=C(/C#N)c2cccc3ccccc23)c1OC 6451984 UVPZQSLVMYQOSZ-LGMDPLHJSA-N 315.372 4.921 50 40 DJGB C[C@@H]1CCC/C(=N\NC(=O)c2sc3ccccc3c2Cl)C1 13736755 CYXXWFMBXAVOCQ-NFDWGTCTSA-N 320.845 4.851 50 40 DJGB CCO[C@H](O[Si](CC)(CC)CC)C(F)(F)C(F)(F)F 627281319 UHPHDRBNXFHCEN-SECBINFHSA-N 308.363 4.568 50 40 DJGB CCN(CC)c1ccc2c(c1)[C@@H](Br)c1ccccc1-2 5840662 SKVYSRRWDVWOSD-KRWDZBQOSA-N 316.242 4.998 50 40 DJGB CCOc1ccc(/C=C(/C#N)c2ccccc2F)c(OCC)c1 108025845 XSXRAHDMFGFODO-PTNGSMBKSA-N 311.356 4.687 50 40 DJGB CC(C)(C#Cc1cc(Cl)cc(Cl)c1)O[Si](C)(C)C 575180671 HGJGXTBBGJNWKI-UHFFFAOYSA-N 301.289 4.975 50 40 DJGB FC(F)COc1c(Cl)cc(CBr)cc1Cl 1776010757 YMVYAXWXAZWPQZ-UHFFFAOYSA-N 319.960 4.532 50 40 DJGB C/C(=N\NC(=O)[C@H]1[C@@H]2CCCC[C@@]21C)c1cccc2ccccc12 4544669 GTKCWFBFESFDIY-APABVZONSA-N 320.436 4.506 50 40 DJGB O=C(CCl)N1c2ccccc2Oc2ccc3ccccc3c21 1690548 FNYDMTZOMCTUJV-UHFFFAOYSA-N 309.752 4.849 50 40 DJGB Cc1csc(/C(C#N)=C/c2ccc(-c3ccccc3F)o2)n1 8708327 TWNOXJIZUBGUGK-XYOKQWHBSA-N 310.353 4.915 50 40 DJGB Cc1cc(SC#N)c(C)cc1NC(=O)[C@@H](C)c1ccccc1 95471098 XGVRXRMGGBCCFP-AWEZNQCLSA-N 310.422 4.619 50 40 DJGB C/C(=N\NC(=O)c1ccc2ccccc2c1)c1ccc(Cl)cc1 408599563 WKLZGVGSDFVYEC-FYJGNVAPSA-N 322.795 4.647 50 40 DJGB N#C/C(=C1/NC2(CCCCC2)Cc2ccccc21)c1ccccc1 19316138 XKVARDVZZGIEBC-MRCUWXFGSA-N 314.432 4.927 50 40 DJGB C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)C#N 118922113 GYZIETHYKFOHGQ-DTMQFJJTSA-N 301.474 4.674 50 40 DJGB ClCCN(C/C=C/c1ccccc1)C/C=C/c1ccccc1 4699219 YVECCJIWDNPJGD-FNCQTZNRSA-N 311.856 4.954 50 40 DJGB N#C/C(=C/c1c(Cl)cccc1Cl)C(=O)Nc1ccccc1 40889196 UKTGVQFAYJNUAZ-LUAWRHEFSA-N 317.175 4.539 50 40 DJGB C[Si](C)(C)/C=C/CC[C@](C=O)(CCCl)c1ccccc1 195455362 KRJQZXNTVHDNCC-LEHPZIBWSA-N 308.925 4.966 50 40 DJGB COc1ccc(-c2csc(/C(C#N)=C\c3ccccc3)n2)cc1 4853305 NDGPUUAEFBTKGD-WJDWOHSUSA-N 318.401 4.883 50 40 DJGB N#C/C(=C/c1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1 13475565 ZOOMGSGAWFAUPJ-XFFZJAGNSA-N 314.175 4.934 50 40 DJGB O=[N+]([O-])c1ccc2c(c1)[C@@H](Br)c1cc(Cl)ccc1-2 1609849 ZSYZQAKAWANKQR-ZDUSSCGKSA-N 324.561 4.713 50 40 DJGB Cc1cc(C(=O)CCCCCCl)ccc1Br 43212707 XHCCOPYBHCRLRE-UHFFFAOYSA-N 303.627 4.739 50 40 DJGB CCCC/C(C)=N/NC(=O)[C@H](C)Sc1ccc(Cl)cc1 408728100 VLQNMBOZDUOUNQ-OOIIIRTPSA-N 312.866 4.503 50 40 DJGB CC[C@@H](Cl)C(=O)c1ccc(COc2cc(F)ccc2F)cc1 575358065 HNFUYCXCTRSRDD-CQSZACIVSA-N 324.754 4.744 50 40 DJGB N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cccc2ccccc12 6410862 AQDBXOHTHHWSJW-FOWTUZBSSA-N 316.335 4.525 50 40 DJGB N#C/C(=C/c1ccc[nH]1)c1nc2ccc(C(F)(F)F)cc2s1 6505276 BLXQRIQTFLHSAM-TWGQIWQCSA-N 319.311 4.707 50 40 DJGB CCOC(=O)/C(C#N)=C\c1ccc(-c2cccc3ccccc23)o1 5005438 JFLLELAIMAMGFR-QINSGFPZSA-N 317.344 4.570 50 40 DJGB CC[C@H](C)Oc1ccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1 8197677 IOOLBOJKZGPEKB-HIXWQLQUSA-N 321.376 4.626 50 40 DJGB C/C(=N\NC(=O)c1ccc2ccccc2c1)c1ccc(C)c(C)c1 408599072 OHFVPXAIHPXLOI-CJLVFECKSA-N 316.404 4.611 50 40 DJGB N#C/C(=C\c1cccc2cccnc12)c1nc2ccccc2s1 11690014 LNRNAZCRTAGJKD-RVDMUPIBSA-N 313.385 4.909 50 40 DJGB CC(C)(C)c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1 40889201 JJVDMDQMYBDROM-SSZFMOIBSA-N 304.393 4.530 50 40 DJGB O=C(CCCCl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 575361051 PKVZELWWLKDOSU-UHFFFAOYSA-N 318.644 4.926 50 40 DJGB C#CCOc1ccc(/C=C(/C#N)c2ccc3ccccc3c2)cc1 408549777 YVXQQQVBDPEVDO-STZFKDTASA-N 309.368 4.916 50 40 DJGB N#C/C(=C/c1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 13546838 PUNODEIETVYMIH-JYRVWZFOSA-N 318.254 4.678 50 40 DJGB CSc1ccccc1C(=O)CCCCCBr 382703203 QIRNLDXQEKGPRU-UHFFFAOYSA-N 301.249 4.547 50 40 DJGB CCC(/C=C/c1ccccc1)=N/NC(=O)c1ccc(Cl)cc1 5664131 UTELSJBTDLDNPX-DXYAMAFXSA-N 312.800 4.549 50 40 DJGB CC(C)(C)[C@@H]1CCc2sc(-c3nnc(CCl)o3)cc2C1 3356895 PCTKKEHLPGWZBL-SNVBAGLBSA-N 310.850 4.688 50 40 DJGB COc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)cc1 4474058 CSQWWKSPWPRKIS-WJDWOHSUSA-N 318.401 4.883 50 40 DJGB Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1C(C)(C)C 8334024 YCGNZEQGMLPHDI-BOPFTXTBSA-N 323.396 4.832 50 40 DJGB Cn1c(SCCCCl)nnc1-c1ccc(C(C)(C)C)cc1 228925634 LARZWSFQTYOLSA-UHFFFAOYSA-N 323.893 4.501 50 40 DJGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)c1cccc(Cl)c1 408599009 NOFVJUMAQYYRAE-SDQBBNPISA-N 319.147 4.966 50 40 DJGB CCOc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OC 408599308 SHXCRHMEPYAVED-DHDCSXOGSA-N 313.784 4.811 50 40 DJGB N#C/C(=C/c1ccco1)c1nc(-c2ccc(F)c(F)c2)cs1 96794862 UIEGRZHATATQII-WDZFZDKYSA-N 314.316 4.745 50 40 DJGB CCCCCCCCC/C=N/NC(=O)c1cccc(C)c1O 97965719 GPHNPDCFKFXNAA-XMHGGMMESA-N 304.434 4.557 50 40 DJGB CC[C@H](Cl)C(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F 575361192 UIGFVBWTAAMDCY-VIFPVBQESA-N 318.644 4.924 50 40 DJGB COc1ccc(/C=C(\C#N)Sc2nc3ccccc3s2)cc1 35387945 MQGMAXCVSUWTDY-GXDHUFHOSA-N 324.430 4.962 50 40 DJGB CCCCCCCCNC(=O)/C(C#N)=C/c1ccc(C)cc1C 3247391 POQKRGFBTMNSRI-XMHGGMMESA-N 312.457 4.687 50 40 DJGB N#C/C(=C\c1ccc(Cl)cc1Cl)c1ccccc1[N+](=O)[O-] 3328585 DYGBLKSTFOYPDN-YRNVUSSQSA-N 319.147 4.966 50 40 DJGB N#C/C(=C/c1ccc[nH]1)c1nc(-c2ccc(Cl)cc2)cs1 96884003 CVLNBBYMYIOWGP-WQLSENKSSA-N 311.797 4.856 50 40 DJGB COc1cccc(-c2csc(/C(C#N)=C\c3cccs3)n2)c1 6451262 YERAQYUXVOVWBK-LCYFTJDESA-N 324.430 4.944 50 40 DJGB Cc1cc(C(=O)CCl)c(C)n1-c1ccc(C(C)(C)C)cc1 20284952 XSGDOSFCPYQYHU-UHFFFAOYSA-N 303.833 4.813 50 40 DJGB CCCCc1ccc(NC(=O)/C(C#N)=C/c2cccs2)cc1 6209585 DIPQCPNIXFKSTJ-NTCAYCPXSA-N 310.422 4.636 50 40 DJGB COc1ccc(-n2cccc2/C=C(/C#N)c2cccc(F)c2)cc1 409392769 NNYTWMDMDXPOGQ-SSZFMOIBSA-N 318.351 4.689 50 40 DJGB N#C/C(=C/c1c(F)cccc1Cl)c1nc2ccc(F)cc2[nH]1 408565858 BPAQLWZCSHIJGQ-TWGQIWQCSA-N 315.710 4.559 50 40 DJGB C[C@@H](Cl)C(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F 575361007 MWIHEQANLIFJGU-RXMQYKEDSA-N 304.617 4.534 50 40 DJGB Cc1sc(-c2ccc(Cl)cc2)nc1CBr 147670606 HHPHJXBYQLPTAA-UHFFFAOYSA-N 302.624 4.667 50 40 DJGB Cc1ccc(C(=O)N/N=C/c2ccc(C(C)C)cc2)c(Cl)c1 4815560 WLEHZYNHAKLQBU-RGVLZGJSSA-N 314.816 4.536 50 40 DJGB Cc1ccccc1/C=C(\C#N)C(=O)Nc1cccc2ccccc12 6410872 KCFMTXUSFMOBER-QGOAFFKASA-N 312.372 4.694 50 40 DJGB Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccccc1Cl 82068012 JKLYUXWTCJQWQA-UVTDQMKNSA-N 320.779 4.920 50 40 DJGB CCCCCCCCCCCC(=O)OCCOCCCl 100921085 GZODMRPIXXALGM-UHFFFAOYSA-N 306.874 4.706 50 40 DJGB CCCCCCCCOC(=O)/C(C#N)=C/c1c[nH]c2ccccc12 2223782 CQHYGQVNZLXNOE-DTQAZKPQSA-N 324.424 4.979 50 40 DJGB CCCCC/C(=N/NC(=O)C1CCCCC1)c1ccccc1 4680149 YOKZEXZJKYBBJV-ZZEZOPTASA-N 300.446 4.668 50 40 DJGB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)C#N 118920221 GYZIETHYKFOHGQ-PAPWGAKMSA-N 301.474 4.674 50 40 DJGB Cc1ccc(NC(=O)/C(C#N)=C/C=C/c2ccccc2)cc1Cl 408735624 VCXGWOZYDYOTMW-ZCPHBQKFSA-N 322.795 4.750 50 40 DJGB N#C/C(=C/c1cc(Cl)c(O)c(Cl)c1)c1ccccc1F 107625638 MCGYDRLMDIKKSL-YHYXMXQVSA-N 308.139 4.902 50 40 DJGB CCOc1ccc(/C=C(/C#N)c2cccc(Cl)c2)cc1OC 408598520 CFLJXVIWAWTLPZ-DHDCSXOGSA-N 313.784 4.811 50 40 DJGB Cc1ccc(C(=O)N/N=C/c2cccc3ccccc23)cc1Cl 6033688 YAIJPFRPUXUYOY-CIAFOILYSA-N 322.795 4.566 50 40 DJGB C/C(=N/NC(=O)C1CCC(C(C)(C)C)CC1)[C@H]1C[C@@H]2CC[C@@H]1C2 100064420 FJKGFTBWQSAQEC-ZFICQFIISA-N 318.505 4.767 50 40 DJGB C[C@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@H](OC(=O)CCl)C1 4529626 GYWWQECFQIGECM-NUEKZKHPSA-N 308.849 4.551 50 40 DJGB N#C/C(=C/c1ccccc1)C(=O)Nc1ccccc1-c1ccccc1 35224081 XUYLICKAHZVHTJ-CYVLTUHYSA-N 324.383 4.899 50 40 DJGB N#C/C(=C\Nc1ccc(F)cc1)c1ccc(OCCCF)cc1 100418640 JCANBPRQCRHQNM-FYWRMAATSA-N 314.335 4.541 50 40 DJGB Cc1cc(C(=O)Cl)cc(C)c1OC(=O)c1cccc(Cl)c1 256051707 KGLDLQNDNRAPQQ-UHFFFAOYSA-N 323.175 4.555 50 40 DJGB N#C/C(=C\c1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl 6410969 LWCXUVMTKOZJKD-XYOKQWHBSA-N 317.175 4.539 50 40 DJGB CCCCCC1=CCC/C1=N\NC(=O)c1ccc(Cl)cc1 14361267 HDGOQRXIKBEBCI-KNTRCKAVSA-N 304.821 4.726 50 40 DJGB N#C/C(=C1/C=C/C(=N/O)c2ccccc21)c1ccc(Cl)cc1 104257843 DGDRKPDZPJGAOV-FBEAWBCGSA-N 306.752 4.522 50 40 DJGB N#C/C(=C/c1ccc(Br)s1)c1ccccc1F 107671809 LIXCEYZKEWAAEN-CLFYSBASSA-N 308.175 4.714 50 40 DJGB N#C/C(=C\c1c[nH]c2ccccc12)c1ccc(Br)cc1 408579046 CNZFRKWNTMQWPL-UKTHLTGXSA-N 323.193 4.995 50 40 DJGB O=C(CCCCCl)c1ccc(OC(F)(F)C(F)F)cc1 575361275 WFVKWJSXOJFBEI-UHFFFAOYSA-N 312.690 4.515 50 40 DJGB CC(C)c1cccc(N(CC2CCCCC2)C(=O)CCl)c1 199757272 ZICNHCSCIHLIQH-UHFFFAOYSA-N 307.865 4.962 50 40 DJGB Cc1cc2c(cc1C=C(C#N)C#N)[C@H](C)CC(C)(C)N2C(C)C 223599906 GAVVTWZRNVQZBL-OAHLLOKOSA-N 307.441 4.926 50 40 DJGB C[C@@H](Br)Oc1c(Cl)cc(Cl)cc1Cl 22114293 BYBZZEGZIGZHFS-BYPYZUCNSA-N 304.398 4.767 50 40 DJGB CCCCC/C(=N\NC(=O)C1[C@H]2CCCC[C@H]12)c1ccccc1 102979192 XKTZGTIOKINIRP-IJUQLDHVSA-N 312.457 4.523 50 40 DJGB O=C(CCCCl)c1ccc(C(F)(F)F)cc1C(F)(F)F 575361364 ZCCMZNMSGGSSQL-UHFFFAOYSA-N 318.644 4.926 50 40 DJGB COc1ccc(OC)c(/C=C(/C#N)c2cccc3ccccc23)c1 6441353 AAWVCARHIMVMKH-ATVHPVEESA-N 315.372 4.921 50 40 DJGB N#C/C(=C/c1ccc2c(c1)OCCO2)c1ccc2ccccc2c1 33750658 COKHTOKZFXHGPD-ODLFYWEKSA-N 313.356 4.675 50 40 DJGB CC[C@@H](Cl)C(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F 575361191 UIGFVBWTAAMDCY-SECBINFHSA-N 318.644 4.924 50 40 DJGB C/C(=N/NC(=O)c1cccs1)c1ccc(-c2ccccc2)cc1 232525 YXVVWGFHHVRQAW-ZHZULCJRSA-N 320.417 4.569 50 40 DJGB Brc1ccc2c(c1)-c1ccccc1[C@H]2Br 90549978 WGHDNGVTEYHDAO-CYBMUJFWSA-N 324.015 4.914 50 40 DJGB C[Si](C)(C)OC1=C(O[Si](C)(C)C)CC(C(F)(F)F)C1 216532899 FTNXOXOJMJLIBG-UHFFFAOYSA-N 312.480 4.873 50 40 DJGB O=C(CCCC[C@H]1CCSS1)Nc1ccc2cc[nH]c2c1 72325540 ZKBOFWZBFXDIIP-AWEZNQCLSA-N 320.483 4.821 50 40 DJGB biogenic Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(C(C)(C)C)cc2)c1 59133185 MNIWNKYUQALYSP-LGMDPLHJSA-N 318.420 4.838 50 40 DJGB CCOc1ccc(/C=C(\C#N)c2ccc(OC)cc2)cc1Cl 408583375 UDEDUCUYWPADJG-XNTDXEJSSA-N 313.784 4.811 50 40 DJGB Cc1cc(C=C(C#N)C#N)c(C)n1-c1ccc(C(C)(C)C)cc1 573876 NVHCGFHDNFKTIA-UHFFFAOYSA-N 303.409 4.822 50 40 DJGB ClCCN(CCCl)c1cccc(Oc2ccccc2)c1 1690504 PGVGZSLVDUXLMQ-UHFFFAOYSA-N 310.224 4.763 50 40 DJGB N#C/C(=C\c1ccc(N2CCCCCC2)o1)c1cccc(F)c1 2874604 HQHQTIFNFOQLOP-DTQAZKPQSA-N 310.372 4.863 50 40 DJGB CCCCCC(=O)N/N=C(/C)c1ccc(-c2ccccc2)cc1 4719208 ZSBUOVLQIAWKBG-PGMHBOJBSA-N 308.425 4.774 50 40 DJGB Clc1ccc(-c2cc(CBr)on2)c(Cl)c1 9477679 BYVHSJZJPZEATP-UHFFFAOYSA-N 306.974 4.543 50 40 DJGB N#C/C(=C1/C=C/C(=N\O)c2ccccc21)c1ccc(Cl)cc1 31483870 DGDRKPDZPJGAOV-CDNORFRBSA-N 306.752 4.522 50 40 DJGB O=C(Cl)c1ccc2nc(-c3ccccc3Cl)sc2c1 73740366 HMXVUIUVYHKQFL-UHFFFAOYSA-N 308.189 4.996 50 40 DJGB Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1ccccn1 409392107 LCLKYZJSUUGUGL-WQRHYEAKSA-N 317.367 4.692 50 40 DJGB FC(F)(F)Sc1cc(CBr)ccc1Cl 12359171 QRIMMRPSWRLACM-UHFFFAOYSA-N 305.546 4.847 50 40 DJGB N#C/C(=C\c1cccc(O)c1)c1nc(-c2ccc(F)cc2)cs1 14137598 DNOACHXJLZVOIU-RIYZIHGNSA-N 322.364 4.719 50 40 DJGB Cc1ccsc1/C=C(/C#N)c1ccc(Br)cc1 408994986 KFJDAYDAVZNVPD-WQLSENKSSA-N 304.212 4.883 50 40 DJGB Cc1cc(C=C(C#N)C#N)c(C)n1-c1ccc(Cl)c(Cl)c1 295224 NISFRUNOZKOACK-UHFFFAOYSA-N 316.191 4.832 50 40 DJGB N#C/C(=C\c1ccsc1)C(=O)Nc1cc(Cl)ccc1Cl 3259336 BWKGPUYFXNTROL-BJMVGYQFSA-N 323.204 4.601 50 40 DJGB CC(C)N(C(C)C)P(=O)(C(Cl)Cl)C(Cl)Cl 3227335 RTTKTUHWDUUREQ-UHFFFAOYSA-N 315.008 4.906 50 40 DJGB CCCCCCCCNC(=O)/C(C#N)=C/c1c[nH]c2ccccc12 3258999 YDGTYLBWWVHTDW-DTQAZKPQSA-N 323.440 4.552 50 40 DJGB C/C(=N/NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(C)c(C)c1 23410857 MQXJIUNQFNTPNZ-JWGURIENSA-N 322.452 4.755 50 40 DJGB N#C/C(=C/c1ccc(N2CCCCCC2)cc1)c1ccccn1 89878904 KIXLJCAOTFYXLE-SDXDJHTJSA-N 303.409 4.526 50 40 DJGB O=C(c1ccccc1OC(F)(F)F)[C@H](Cl)c1ccccc1 575358955 JPGWTIHOQMSHMZ-CYBMUJFWSA-N 314.690 4.748 50 40 DJGB N#C/C(=C\c1ccc(Cl)cc1)c1nc2c(s1)CCCC2 5445387 UPIISZUSOIPOKA-FMIVXFBMSA-N 300.814 4.739 50 40 DJGB Cc1cc(SC#N)c(C)cc1NC(=O)[C@H](C)c1ccccc1 95471099 XGVRXRMGGBCCFP-CQSZACIVSA-N 310.422 4.619 50 40 DJGB C/C(=N\NC(=O)[C@@H]1[C@@H]2CCCC[C@@]21C)c1cccc2ccccc12 4544667 GTKCWFBFESFDIY-ZXVUCIOOSA-N 320.436 4.506 50 40 DJGB COc1ccc2ccccc2c1/C=C(\C#N)c1cccc(C#N)c1 408568676 VZCMLQFRVCXUTN-LDADJPATSA-N 310.356 4.784 50 40 DJGB CSc1ccc2c(c1)N(C(=O)CCl)c1ccccc1S2 3426728 QYHBPNALQOOVBU-UHFFFAOYSA-N 321.854 4.777 50 40 DJGB CCCCCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(C)cc2)o1 2669638 HUXAAFZSFJKKOY-GHRIWEEISA-N 323.392 4.895 50 40 DJGB CCCCCCCCCCCC(=O)OCCBr 100302656 OJTJEBDBHVSJBW-UHFFFAOYSA-N 307.272 4.845 50 40 DJGB COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OC(C)C 6364789 BDGYBYWPJZWHRK-GDNBJRDFSA-N 311.356 4.686 50 40 DJGB O=C(Cl)/C=C/c1ccc(OCc2cccc(Cl)c2)cc1 85397245 VEEFEGVRIRRIDS-RMKNXTFCSA-N 307.176 4.698 50 40 DJGB CCCCCCCCCCCC(=O)OCCN(C)CCCl 104382225 RJYQDQIMSGYVEC-UHFFFAOYSA-N 319.917 4.621 50 40 DJGB Cc1cccc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)c1 33764145 RODQXYZDAJAIAF-WJDWOHSUSA-N 300.361 4.575 50 40 DJGB CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)s2)cc1 209885690 DFSYCZSGDUMJRU-XFXZXTDPSA-N 316.813 4.510 50 40 DJGB O=C(Cl)c1cc(-c2ccccc2)nc2cccc(Cl)c12 685937282 MERUQJMZZMXXEQ-UHFFFAOYSA-N 302.160 4.934 50 40 DJGB N#C/C(=C\c1ccc(Br)o1)c1ccc(Cl)cc1 586038 RQKCDOZQMFVQOP-JXMROGBWSA-N 308.562 4.760 50 40 DJGB CC(C)(C)c1ccc(-c2csc(NC(=O)CCCl)n2)cc1 2387643 XKBNSQPGCSPLRI-UHFFFAOYSA-N 322.861 4.675 50 40 DJGB N#C/C(=C\c1ccc(C(F)(F)F)cc1)c1nc2ccccc2[nH]1 4159165 AAVUPDCCFWKWEO-FMIVXFBMSA-N 313.282 4.646 50 40 DJGB N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)c1ccccc1 6222695 OKYLWPHYWPCPRC-MDWZMJQESA-N 302.160 4.783 50 40 DJGB Cc1cccc(-n2cccc2/C=C(/C#N)c2ccccc2F)c1 107803267 MXDDABMAUJSKHU-SSZFMOIBSA-N 302.352 4.989 50 40 DJGB CC(C)COc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1 409216098 IAXJJNPENIGLLT-BOPFTXTBSA-N 322.364 4.694 50 40 DJGB CC[C@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2ccc(C)cc2)o1 2669716 FGMVTVVXBHDOAP-LUYJPIOASA-N 309.365 4.504 50 40 DJGB Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(Cl)c2)c(C)c1 6425041 OLOWRBSDJIZYPL-OQLLNIDSSA-N 310.784 4.503 50 40 DJGB COc1ccc(/C(C#N)=C\c2ccc(C(C)C)cc2)cc1OC 3311321 CUXGSZABDOXQFW-WQRHYEAKSA-N 307.393 4.891 50 40 DJGB CCO[C@@H](O[Si](CC)(CC)CC)C(F)(F)C(F)(F)F 627281320 UHPHDRBNXFHCEN-VIFPVBQESA-N 308.363 4.568 50 40 DJGB Cc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cccc(C)c23)s1 40139875 HLDUGECRYLUGNJ-MDWZMJQESA-N 306.390 4.636 50 40 DJGB CC(C)(C)C(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1 6510309 YZJNIKKPWINAPB-QGOAFFKASA-N 319.404 4.788 50 40 DJGB CCn1c(/C(C#N)=C/c2ccc(Cl)cc2)nc2ccccc21 3899781 SUOVQCMGRMDDEJ-SDNWHVSQSA-N 307.784 4.774 50 40 DJGB N#C/C(=C/c1ccccc1Br)c1ccccc1F 33738459 FNVOEWULGUCBEM-XFXZXTDPSA-N 302.146 4.652 50 40 DJGB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(CCl)cc1 37342919 MHGIUQFWNYNUNY-UHFFFAOYSA-N 314.599 4.985 50 40 DJGB C/C(=N/NC(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1 59548 CIEAQMPAVHBIAN-JWGURIENSA-N 314.388 4.508 50 40 DJGB O=C(N/N=C/C=C/c1ccccc1)c1cc2cc(Cl)ccc2o1 4545306 OBTMEZBZZRWHCH-KCHOUBKZSA-N 324.767 4.515 50 40 DJGB CC(C)(C)NC(=O)[C@@H](Cl)C12CC3C[C@](C)(C1)C[C@](C)(C3)C2 104187943 ZRCBSMXCDNGTKS-RGZLHZKJSA-N 311.897 4.505 50 40 DJGB Cc1ccccc1/C=C(\C#N)C(=O)Nc1ccc2ccccc2c1 408761657 KLVZFDQGIFMIKZ-XDHOZWIPSA-N 312.372 4.694 50 40 DJGB N#C/C(=C/c1ccc(OCc2ccccc2)cc1)c1ccccn1 6045543 FJKOVUKYJIQYAT-RGEXLXHISA-N 312.372 4.725 50 40 DJGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccccc1 524727 QUYNMUOXPCAKME-HZHRSRAPSA-N 324.383 4.757 50 40 DJGB CCc1ccc(/C(Cl)=C/C2C(C#N)=C(C)NC(C)=C2C#N)cc1 19691787 ZGPMLNMGGJUPDP-OCKHKDLRSA-N 323.827 4.643 50 40 DJGB C[C@@H](C(=O)Nc1ccc(SC#N)c(Cl)c1)c1ccccc1 95471101 LMJYIVXTPBVWBG-LLVKDONJSA-N 316.813 4.655 50 40 DJGB Cc1cc2c(cc1C)N(C(=O)CCCCl)C(C)(C)C[C@H]2C 223240947 XFYCUEYXERXSHF-CQSZACIVSA-N 307.865 4.941 50 40 DJGB N#C/C(=C/c1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 16400147 WKRTYBPIVBKOJV-LCYFTJDESA-N 318.254 4.678 50 40 DJGB CCN(CC)[P@@](=O)(C(Cl)Cl)C(Cl)(Cl)Cl 4948908 FLJRIPASOLJXDH-CQSZACIVSA-N 321.399 4.695 50 40 DJGB N#C/C(=C/c1ccc(F)cc1)c1ccc(Br)cc1 408528691 IBRKUWRWFFMESL-LCYFTJDESA-N 302.146 4.652 50 40 DJGB COc1ccc(C)cc1N/C=C(\C#N)c1nc2ccccc2s1 2361083 ZXKGVSAWJZDKKA-ACCUITESSA-N 321.405 4.590 50 40 DJGB O=C(CCCCBr)c1cccc(Cl)c1Cl 308840970 YSPUEQRAKKLSBM-UHFFFAOYSA-N 310.018 4.741 50 40 DJGB CCCC/C(=N/NC(=O)c1ccc(Cl)cc1)c1ccccc1 34704190 ZRHOSHBTFXPXGP-JZJYNLBNSA-N 314.816 4.664 50 40 DJGB CCc1cccc2c(/C=C(\C#N)c3nc4ccccc4[nH]3)c[nH]c12 12627274 LQKQCLCJVATVEX-GXDHUFHOSA-N 312.376 4.671 50 40 DJGB Cc1ccc(N/C=C(\C#N)c2nc3ccccc3s2)cc1C 2204428 INSJBMSZOKYTOB-SDNWHVSQSA-N 305.406 4.890 50 40 DJGB COc1cc(/C=C(/C#N)c2nc3ccccc3s2)ccc1C 4498268 MSBUOLPSJLQSEV-ZROIWOOFSA-N 306.390 4.678 50 40 DJGB CCOC1=C(C#N)CC2(CC1)c1ccccc1-c1ccccc12 4742908 RRJPFYHXJAJFKQ-UHFFFAOYSA-N 301.389 4.951 50 40 DJGB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](Cl)c1ccccc1 3154983 HWONRNRNHBUEMB-ZDUSSCGKSA-N 313.706 4.624 50 40 DJGB C[C@H]1CCc2nc(/C(C#N)=C\c3ccc(Cl)cc3)sc2C1 8844878 AOEWXDASOHRGBK-KWJWQAOWSA-N 314.841 4.985 50 40 DJGB N#C/C(=C/c1ccc(N2CCCC2)c(F)c1)c1ccc(F)cc1 409073259 LPBWNELJCVSTCM-WJDWOHSUSA-N 310.347 4.629 50 40 DJGB CCCC[C@H](CC)COC(=O)/C(C#N)=C/C=C/c1ccccc1 22112582 YWZLSHJSUDBZRY-HRJVRJSZSA-N 311.425 4.909 50 40 DJGB Cc1cc(C)c(COc2ccc(C=C(C#N)C#N)cc2)c(C)c1 408989730 LUUSVWHVFUXSEC-UHFFFAOYSA-N 302.377 4.621 50 40 DJGB N#C/C(=C\c1cccs1)C(=O)Nc1ccc(Cl)c(Cl)c1 5769715 AABCSEVOTAKUSZ-RMKNXTFCSA-N 323.204 4.601 50 40 DJGB ClCc1nc(-c2cccs2)c2oc3ccccc3c2n1 12788384 BZIZOCRQJQQULT-UHFFFAOYSA-N 300.770 4.843 50 40 DJGB CC(C)(C#Cc1ccccc1OC(F)(F)F)O[Si](C)(C)C 575180723 QYGCNIBSTUMTBY-UHFFFAOYSA-N 316.395 4.567 50 40 DJGB O=C(/C=C/c1cccc(Cl)c1)c1ccc(O)c(CCCl)c1 13011510 WHUXLRDUFWSZIA-GQCTYLIASA-N 321.203 4.723 50 40 DJGB BrCc1ccc(CBr)c2ccccc12 2379580 UZHZQZOMHXNQBJ-UHFFFAOYSA-N 314.020 4.630 50 40 DJGB CC[C@@H](C)Oc1ccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1 8196014 IOOLBOJKZGPEKB-IIMQCXAKSA-N 321.376 4.626 50 40 DJGB Cc1cc(C(=O)[C@H](Cl)c2ccccc2)ccc1Br 137625869 ROLRVAAMTQDILV-CQSZACIVSA-N 323.617 4.920 50 40 DJGB C/C(=N\NC(=O)c1cccc(Cl)c1)c1cccc2ccccc12 5381932 DBORLOOKVZLLJX-FYJGNVAPSA-N 322.795 4.647 50 40 DJGB CSc1ccc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc1 12341033 BMZCBDAQMBKVEQ-UVTDQMKNSA-N 305.406 4.657 50 40 DJGB C[C@H](Cl)C(=O)N1c2ccc(Cl)cc2[C@@H](C)CC1(C)C 223236192 VSKRYXQQKLAJME-UWVGGRQHSA-N 300.229 4.586 50 40 DJGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1 409353941 VCUSRUXMJQFYHD-GHXNOFRVSA-N 319.147 4.966 50 40 DJGB CCCCC/C(=N\NC(=O)C1CCCCC1)c1ccccc1 12404063 YOKZEXZJKYBBJV-CZIZESTLSA-N 300.446 4.668 50 40 DJGB Cc1ccc2[nH]c(/C(C#N)=C/c3c(C)[nH]c4ccccc34)nc2c1 6407960 ARUWZBVVAPMMCB-GXDHUFHOSA-N 312.376 4.725 50 40 DJGB Cc1ccsc1C(=O)/C(C#N)=C/c1ccccc1OC(C)C 96130166 LBQDZAZRJCNSLA-XNTDXEJSSA-N 311.406 4.634 50 40 DJGB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](Cl)CC[C@@]43C)[C@@H]1CC[C@H]2O 118927592 HYYXUOULPYGCRM-QAZMUZRASA-N 308.893 4.918 50 40 DJGB N#C/C(=C/c1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1 408747042 YHMWJIGMIPJMES-WQLSENKSSA-N 317.175 4.539 50 40 DJGB BrCc1cccc2c(CBr)cccc12 100259802 ZNHUYTIFYQXOCM-UHFFFAOYSA-N 314.020 4.630 50 40 DJGB C[C@H](Cl)C(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F 575361008 MWIHEQANLIFJGU-YFKPBYRVSA-N 304.617 4.534 50 40 DJGB CCN(CC)[P@](=O)(C(Cl)Cl)C(Cl)(Cl)Cl 4948910 FLJRIPASOLJXDH-AWEZNQCLSA-N 321.399 4.695 50 40 DJGB C=C/C=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1 68568673 CQRVOJKIRCURAT-QBROUFQSSA-N 315.376 4.680 50 40 DJGB CCN1/C(=C/C(=O)CCl)C(C)(C)c2c1ccc1ccccc21 4801679 PLJOKNGYMRSSSG-GZTJUZNOSA-N 313.828 4.649 50 40 DJGB O=Cc1ccc(S(F)(F)(F)(F)F)cc1Br 169807233 WYWBTBIGRSLCHG-UHFFFAOYSA-N 311.069 4.919 50 40 DJGB CCCOc1ccccc1/C=C(\C#N)c1nc2ccc(C)cc2[nH]1 4696816 NHUAGLQPALEKJX-FOWTUZBSSA-N 317.392 4.724 50 40 DJGB Cc1ccc(C(=O)N/N=C/c2ccc3ccccc3c2)c(Cl)c1 4815524 AISJUIXWYVGLSI-CIAFOILYSA-N 322.795 4.566 50 40 DJGB N#C/C(=C/c1ccccn1)c1nc(-c2ccc(Cl)cc2)cs1 5594473 OTKBBNCGDJEXSS-LCYFTJDESA-N 323.808 4.923 50 40 DJGB O=C(C[C@H](Cl)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 3137939 VIPJNCOQIXIPPX-VIFPVBQESA-N 320.430 4.890 50 40 DJGB COc1cccc(/C=C(\C#N)c2ccc(Br)cc2)c1 3396059 VKSLPZCCXMWGFR-NTEUORMPSA-N 314.182 4.522 50 40 DJGB N#C/C(=C\c1ccc(N2CCCCC2)cc1)c1ccc(F)cc1 318914 MTXXFRKXCDQEEB-NBVRZTHBSA-N 306.384 4.880 50 40 DJGB C=CCOc1ccc(/C=C(\C#N)c2ccc(C)cc2)cc1OC 408580854 SCLBKFBJMJZZSI-LDADJPATSA-N 305.377 4.633 50 40 DJGB O=C1c2cc(Cl)sc2C2(CCCCC2)[C@@H]1Br 385827 DWPOWBGVSPSKAO-SNVBAGLBSA-N 319.651 4.563 50 40 DJGB Fc1ccc2nc(-c3cccc(CBr)c3)sc2c1 45923180 ROFRTCCVCYLJGQ-UHFFFAOYSA-N 322.202 4.997 50 40 DJGB CC[C@@H](C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100019583 SGNAKWKXKBREOU-LJQANCHMSA-N 319.408 4.779 50 40 DJGB CCCCCC/C(C)=N/NC(=O)c1cc2ccccc2cc1O 21908967 SWTBKBMGWJGCJB-XSFVSMFZSA-N 312.413 4.622 50 40 DJGB N#C/C(=C/c1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1 5770236 PBWMIBYEJMSBBG-XFXZXTDPSA-N 317.175 4.539 50 40 DJGB Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(Cl)c2)cc1C 7156702 OWXSLPSUSUQTKY-OQLLNIDSSA-N 310.784 4.503 50 40 DJGB BrCc1ccc(Cc2c[nH]c3ccccc23)cc1 1433086 YRJBJAPPLFURLJ-UHFFFAOYSA-N 300.199 4.654 50 40 DJGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(Cl)cc2)c1C 215857787 OEXDNSYIPMQLQE-GDNBJRDFSA-N 310.784 4.503 50 40 DJGB CCCC/C(=N/NC(=O)c1ccccc1Cl)c1ccccc1 4195965 CYGSYMOZRDOXRG-JZJYNLBNSA-N 314.816 4.664 50 40 DJGB Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)s1 6410947 YRBASMFTNMHJFL-XYOKQWHBSA-N 316.813 4.564 50 40 DJGB COc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)ccc1O 408586744 PDDDGMQGNLOGJW-SDQBBNPISA-N 320.175 4.772 50 40 DJGB Cc1ccc(/C=C(/C#N)c2ccc(C#N)cc2)cc1Br 582276 PFEHTYJHXFACRB-PXNMLYILSA-N 323.193 4.693 50 40 DJGB O=C(Cc1cccc2ccccc12)NN=C1CCCCCCC1 6237994 OUXSDCUZNCFPJD-UHFFFAOYSA-N 308.425 4.599 50 40 DJGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2C)cc1Cl 408990036 VZQCGMFIWMRTDG-DHDCSXOGSA-N 310.784 4.503 50 40 DJGB ClCCSc1nnc(-c2ccccc2)n1C1CCCCC1 1581245 VJQQKGWFHBLXOZ-UHFFFAOYSA-N 321.877 4.781 50 40 DJGB N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(Cl)c1 408598637 GUJCLVBUILGFCJ-SDQBBNPISA-N 319.147 4.966 50 40 DJGB CCOc1cccc(/C=C(\C#N)c2ccc(C(F)(F)F)cn2)c1 40139843 GUWSLHSCVRLFED-MDWZMJQESA-N 318.298 4.563 50 40 DJGB N#C/C(=C/c1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2 409364242 NSBVUGPPPBILMF-XGICHPGQSA-N 318.159 4.786 50 40 DJGB Cc1nc2c(C(F)(F)F)cccc2c(Cl)c1CCCl 1395118 XWKOGGIQRLMMLV-UHFFFAOYSA-N 308.130 4.997 50 40 DJGB C[C@H](Br)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2 66324171 JYOVSTJYLZJQNY-VVZSVHDDSA-N 322.084 4.504 50 40 DJGB CCCc1cc(C(=O)N/N=C2\C[C@H]3CC[C@]2(C)C3(C)C)cs1 17054759 ZNHWQJQPQYULGI-BCTXPDLRSA-N 318.486 4.633 50 40 DJGB Nc1c(Cl)cccc1SSc1cccc(Cl)c1N 45951655 GDCMDAOKWQFPDX-UHFFFAOYSA-N 317.266 4.957 50 40 DJGB CC(C)(C)C(=O)/C(C#N)=C/Nc1ccc(Oc2ccccc2)cc1 100943412 HAXLLBIJMLQECV-CCEZHUSRSA-N 320.392 4.913 50 40 DJGB CC(C)(C)NC(=O)[C@@H](Cl)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 17060435 ZRCBSMXCDNGTKS-DCUTXHCPSA-N 311.897 4.505 50 40 DJGB Fc1cccc(-c2nc3ccc(CBr)cc3s2)c1 73740268 VYIBQIXOHLFAOB-UHFFFAOYSA-N 322.202 4.997 50 40 DJGB C/C(=N/NC(=O)C1CCC(C(C)(C)C)CC1)[C@H]1C[C@H]2CC[C@H]1C2 102412961 FJKGFTBWQSAQEC-YNGMDELYSA-N 318.505 4.767 50 40 DJGB Cc1ccc(C(=O)CCCCCBr)cc1Cl 144434426 XVDSIGDQXTZFOA-UHFFFAOYSA-N 303.627 4.786 50 40 DJGB CC(C)N(c1ccccc1)c1ccc(NC(=O)[C@@H](C)Cl)cc1 96029376 JBNSDUSERISONM-CQSZACIVSA-N 316.832 4.799 50 40 DJGB CC[C@@H](C)Oc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1 7071329 QBCRYOLWIUKUMG-MTOJCTJASA-N 322.364 4.836 50 40 DJGB Cc1csc(/C(C#N)=C/c2cc(C)n(Cc3ccco3)c2C)n1 8207443 HLVKXIWVUDPNIR-LZYBPNLTSA-N 323.421 4.575 50 40 DJGB CCCCCCC[C@@H]1C[C@@H](C(C)(C)C)CC/C1=N\NC(N)=O 111065582 YYPBCCCEEDGGDL-OAZZHIDZSA-N 309.498 4.834 50 40 DJGB N#C/C(=C\c1cccc(O)c1)Sc1nc2ccccc2s1 107865223 QBWSAKSTGINSJN-UKTHLTGXSA-N 310.403 4.659 50 40 DJGB CCCCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(C)cc2)o1 5214601 RQSLOWPNEYGDIN-FOWTUZBSSA-N 309.365 4.505 50 40 DJGB ClCCN(CCCl)c1ccc(/C=N\c2ccccc2)cc1 104263492 GKWSPFDZEWAJEP-ZHZULCJRSA-N 321.251 4.721 50 40 DJGB C#CCn1cc(/C=C(\C#N)c2cccc(Cl)c2)c2ccccc21 408598647 GZZNFZRWLZJYQK-LFIBNONCSA-N 316.791 4.992 50 40 DJGB CCCc1cc(C(=O)N/N=C2/C[C@H]3CC[C@@]2(C)C3(C)C)cs1 102446341 ZNHWQJQPQYULGI-DDHQNJRCSA-N 318.486 4.633 50 40 DJGB CCCC[Sn](Cl)(CCl)CCCC 195768169 XWFCEWFXSQFZPI-UHFFFAOYSA-M 317.876 4.549 50 40 DJGB CCc1ccc(/C(C)=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1 4113295 RKMZHMBALSMHMN-PXLXIMEGSA-N 322.452 4.701 50 40 DJGB N#C/C(=C1/C(=O)c2ccccc2-c2ccccc21)c1ccccc1 16952955 YNBFDQWQDDBDTE-MRCUWXFGSA-N 307.352 4.984 50 40 DJGB C=CCOc1ccc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc1 107943983 VKMWGCITXNLQMM-VBKFSLOCSA-N 315.376 4.500 50 40 DJGB C=CCn1cc(/C=C(\C#N)c2cccc(C#N)c2)c2ccccc21 33488942 IKSQFGKTCFIZDT-LDADJPATSA-N 309.372 4.763 50 40 DJGB Cc1ccc(-c2csc(/C(C#N)=C\c3ccc(O)cc3)n2)cc1 4853293 CUVDUTSEVSUQDS-YBEGLDIGSA-N 318.401 4.888 50 40 DJGB CC(C)(C)OC(=O)Nc1cc(CCl)cc(C(F)(F)F)c1 47843773 YXCWIXZTHGEEJV-UHFFFAOYSA-N 309.715 4.791 50 40 DJGB in-vitro CCOc1ccc(/C=C(\C#N)c2nc3ccccc3s2)cc1 4291773 DNKGYQFYUGUEMQ-SDNWHVSQSA-N 306.390 4.759 50 40 DJGB CCCCc1ccc2nc(NC(=O)CCCCl)sc2c1 6398110 ODXGAQNNZJCMPM-UHFFFAOYSA-N 310.850 4.596 50 40 DJGB COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OC 409389942 CYUSFWJZBYVMNM-MLPAPPSSSA-N 317.747 4.560 50 40 DJGB CCC(/C=C\c1ccccc1)=N\NC(=O)c1ccc(Cl)cc1 17142995 UTELSJBTDLDNPX-ZRWQKBPDSA-N 312.800 4.549 50 40 DJGB CC[C@@H](C)c1ccc(Nc2nc(/C(C#N)=C(/C)N)cs2)cc1 22194985 KWKDNTNXGPQGKQ-DHVNXZJSSA-N 312.442 4.613 50 40 DJGB O=C(CCCC[C@@H]1CCSS1)Nc1ccc2c(c1)CCC2 25403531 CCTMBDHXHZMQJR-MRXNPFEDSA-N 321.511 4.828 50 40 DJGB N#C/C(=C\c1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 459528 ZRJRKTNKOKUEBI-UKTHLTGXSA-N 318.254 4.678 50 40 DJGB C/C(=N/NC(=O)C1CCC(C(C)(C)C)CC1)[C@@H]1C[C@H]2CC[C@@H]1C2 4507177 FJKGFTBWQSAQEC-KIPDBOJVSA-N 318.505 4.767 50 40 DJGB COc1ccc(-n2cccc2/C=C(\C#N)c2ccc(F)cc2)cc1 4663678 ROVOMOMAUQGZAS-DTQAZKPQSA-N 318.351 4.689 50 40 DJGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(C(C)C)cc2)cc1 33339596 XRZXQWXHPOGEIL-PDGQHHTCSA-N 304.393 4.664 50 40 DJGB Cc1cc(Cl)ccc1N/C=C(\C#N)c1nc2ccccc2[nH]1 13004835 IDWRDUCVVDQTHU-ZRDIBKRKSA-N 308.772 4.501 50 40 DJGB BrC[C@@H](Br)c1cccc2ccccc12 103703507 KOFFBHGDTNXEHL-GFCCVEGCSA-N 314.020 4.671 50 40 DJGB ClCCN(CCCl)c1ccc(/N=C\c2ccccc2)cc1 104184711 ACDDOUMOIOOWMC-ZHZULCJRSA-N 321.251 4.721 50 40 DJGB N#C/C(=C\c1ccc(Cl)cc1)Sc1nc2ccccc2[nH]1 408599332 SPYLXQUJGFWIJP-UKTHLTGXSA-N 311.797 4.873 50 40 DJGB Fc1ccc(-c2nc3ccc(CBr)cc3s2)cc1 73740248 ASUWVEGFLUEVQS-UHFFFAOYSA-N 322.202 4.997 50 40 DJGB FC(F)(F)c1cc(CBr)cc(Cl)c1Cl 98210426 NTYHLYVDLXQFAO-UHFFFAOYSA-N 307.924 4.907 50 40 DJGB COc1ccc(C(=O)/C(C#N)=C/c2cccc3ccccc23)cc1 6649437 WHFIEQFNCKATNY-QGOAFFKASA-N 313.356 4.638 50 40 DJGB N#C/C(=C/c1cc(Cl)ccc1O)c1nc2ccccc2s1 16545361 WUIUOPKEZDQRDL-XFFZJAGNSA-N 312.781 4.719 50 40 DJGB CC1=C(/C=C\C(C)=C\C=C\C(C)=C/C=O)C(C)(C)C[C@@H](O)C1 256111424 QPRQNCDEPWLQRO-TXKKVUGQSA-N 300.442 4.688 50 40 DJGB N#C/C(=C\c1ccc(-c2ccccc2)o1)c1ccc([N+](=O)[O-])cc1 4599171 IZOUSMNMENACPH-FOWTUZBSSA-N 316.316 4.919 50 40 DJGB Cc1ccc(Cn2c(CCl)nc3cc(Cl)ccc32)cc1 36890375 AYJZPWNPAPUHCG-UHFFFAOYSA-N 305.208 4.785 50 40 DJGB O=C(CCCCCCCl)c1ccc(Br)cc1 2567560 RGPPQQUQFFSDQO-UHFFFAOYSA-N 303.627 4.821 50 40 DJGB C/C(=N\NC(=O)c1cccc2ccccc12)c1cc(C)ccc1C 408592631 ZURHJIDTJKKUED-CJLVFECKSA-N 316.404 4.611 50 40 DJGB CC(C)Oc1ccccc1C(=O)CCCCCBr 575358853 GSTLNRVYNYMMTA-UHFFFAOYSA-N 313.235 4.612 50 40 DJGB C[C@H]1CCC/C(=N/NC(=O)c2ccc(-c3ccccc3)cc2)C1 586981 PHHOFHHCCHNUTJ-AYAKEVCGSA-N 306.409 4.650 50 40 DJGB O=C(CCCCCCCl)c1cccc(Br)c1 2567557 ZMPUTIHPKDRYBB-UHFFFAOYSA-N 303.627 4.821 50 40 DJGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cccc(Cl)c2)c1 32799219 WKSPZQHPSLVUMX-OQLLNIDSSA-N 310.784 4.503 50 40 DJGB CC1=C(/C=C\C(C)=C\C=C\C(C)=C\C=O)C(C)(C)C[C@@H](O)C1 256111422 QPRQNCDEPWLQRO-CEZKKDKCSA-N 300.442 4.688 50 40 DJGB COc1ccc(Cl)c(/C=C(\C#N)c2cccc(C)c2)c1OC 9324413 GEFLHFIWIOBBHP-GXDHUFHOSA-N 313.784 4.730 50 40 DJGB O=C(Cl)/C=C/c1cccc(OCc2ccc(Cl)cc2)c1 217704206 RHUDXOVODREAED-RMKNXTFCSA-N 307.176 4.698 50 40 DJGB CCOc1ccc(/C=C(/C#N)c2cccc(F)c2)c(OCC)c1 409393139 PESIBOLJSHITDG-YBEGLDIGSA-N 311.356 4.687 50 40 DJGB C[C@@H]1CCC/C(=N/NC(=O)c2sc3ccccc3c2Cl)C1 334804 CYXXWFMBXAVOCQ-WENGMCCWSA-N 320.845 4.851 50 40 DJGB N#C/C(=C\Nc1cccc(F)c1)c1nc(-c2ccccc2)cs1 502358 LWQGMNGCRWPHML-SDNWHVSQSA-N 321.380 4.926 50 40 DJGB CCCCCCC[C@@H]1C[C@H](C(C)(C)C)CC/C1=N\NC(N)=O 101674437 YYPBCCCEEDGGDL-RQZSCTENSA-N 309.498 4.834 50 40 DJGB O=C(CCCCCBr)c1ccc(C(F)(F)F)cc1 575358889 HSBKIAKJRAGCBU-UHFFFAOYSA-N 323.152 4.843 50 40 DJGB COc1cc(N2CCCCC2)ccc1/C=C(\C#N)c1ccccc1 409244029 WNKFXIRXIINKIT-XMHGGMMESA-N 318.420 4.750 50 40 DJGB N#CC(C#N)=Cc1ccccc1OCc1cccc2ccccc12 4510653 OFBVUNUOFGUPFT-UHFFFAOYSA-N 310.356 4.849 50 40 DJGB CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)C[C@H](O)C1 22061188 QPRQNCDEPWLQRO-ZCEAMUHZSA-N 300.442 4.688 50 40 DJGB in-vitro O=C(CCCC[C@@H]1CCSS1)N[C@@H]1CCc2ccccc21 22700193 ILIPGLHGIYTKPU-GDBMZVCRSA-N 321.511 4.504 50 40 DJGB CC(C)(CCl)c1nc(-c2c(Cl)cccc2Cl)no1 165927 OETGRTRDCXDTQT-UHFFFAOYSA-N 305.592 4.560 50 40 DJGB CCOc1ccc(N/C=C(\C#N)c2nc3ccccc3s2)cc1 2399988 RERMRRXPZHSRKC-OUKQBFOZSA-N 321.405 4.672 50 40 DJGB N#CC(C#N)=Cc1cn(Cc2ccccc2Cl)c2ccccc12 58822450 DEUBXEZQBUKUMN-UHFFFAOYSA-N 317.779 4.774 50 40 DJGB O=C(Oc1c(Cl)cccc1Cl)c1ccc(CCl)cc1 159350 AHPPVBWFKIDECA-UHFFFAOYSA-N 315.583 4.951 50 40 DJGB CCc1ccc(-c2cn3c4ccccc4nc3n2CCCl)cc1 186893 RMXSLEKHUHONCD-UHFFFAOYSA-N 323.827 4.757 50 40 DJGB CCN(CC)c1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1 6026372 WGOOTLZEQIDQSS-ATVHPVEESA-N 321.380 4.505 50 40 DJGB CCOC(=O)/C(C#N)=C/c1ccc(-c2cccc3ccccc23)o1 352790 JFLLELAIMAMGFR-NTCAYCPXSA-N 317.344 4.570 50 40 DJGB COc1ccc(/C(Cl)=C(\C=O)c2ccc(Cl)cc2)cc1 1613544 IPXFLQLMWRYNPK-NXVVXOECSA-N 307.176 4.655 50 40 DJGB N#CC(=C1SC=CS1)c1nc(-c2ccccc2)cs1 3176500 BGQJFBVOWLWREJ-UHFFFAOYSA-N 300.433 4.953 50 40 DJGB aggregator CCOc1ccc(/C=C(\C#N)c2ccc(OC)cc2)c(OCC)c1 408580635 DHSUPLIRMFJDMG-SFQUDFHCSA-N 323.392 4.557 50 40 DJGB N#C/C=C/c1ccc(OCc2ccc(Br)cc2)cc1 6225536 POJVCEWHWZZNLR-OWOJBTEDSA-N 314.182 4.565 50 40 DJGB C[C@H]1C[PH](c2ccccc2)(c2ccccc2)Cc2ccccc21 103844101 QNEHEBJVSLVFIP-SFHVURJKSA-N 318.400 4.705 50 40 DJGB CCSc1ccc(C(=O)CCCCCBr)cc1 575357411 JGEYBSQPMIHITF-UHFFFAOYSA-N 315.276 4.937 50 40 DJGB C[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@@H](OC(=O)CCl)C1 5515866 GYWWQECFQIGECM-BMFZPTHFSA-N 308.849 4.551 50 40 DJGB N#C/C(=C/c1ccc(O)cc1)c1nc(-c2ccc(F)cc2)cs1 13739475 XJTVQDUUEMDNTM-ZROIWOOFSA-N 322.364 4.719 50 40 DJGB CCCCCCCCCC(=O)N/N=C\c1c[nH]c2ccccc12 104165237 IBIAWRJXPRFSAO-QNGOZBTKSA-N 313.445 4.759 50 40 DJGB CCc1cccc2c(/C=C(\C#N)C(=O)c3ccccc3)c[nH]c12 5518911 UCRPWTMGBXVRII-LFIBNONCSA-N 300.361 4.520 50 40 DJGB COc1ccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1Cl 33400745 JZRUYBLYUDZRHF-JYRVWZFOSA-N 323.783 4.598 50 40 DJGB Cc1ccc(C)c(Sc2ccc(NC(=O)CCl)cc2)c1 3445996 KACFZWRSHRBOAC-UHFFFAOYSA-N 305.830 4.632 50 40 DJGB CCCCCC(=O)N/N=C(/CC)C12CC3CC(CC(C3)C1)C2 4651669 JBNXVBGZQKPOEZ-JZJYNLBNSA-N 304.478 4.665 50 40 DJGB CC(C)(C)NC(=O)[C@@H](Cl)C12CC3C[C@@](C)(C1)C[C@@](C)(C3)C2 104187944 ZRCBSMXCDNGTKS-FLNCMTPNSA-N 311.897 4.505 50 40 DJGB Cc1cc(C)c(Cn2nc(C(C)(C)C)cc2C(=O)Cl)c(C)c1 2383554 KSZFFPZMXJLMBI-UHFFFAOYSA-N 318.848 4.533 50 40 DJGB CC[C@@H](C)[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104056911 UKPZLYUKOZRZKY-LJQANCHMSA-N 320.416 4.511 50 40 DJGB Cc1ccc(C(=O)CCCCBr)c2ccccc12 575358811 SGDQCRRCAICCFM-UHFFFAOYSA-N 305.215 4.896 50 40 DJGB CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)C/C=C(\C=O)CC(=O)O 257534961 RRVWWISJQFUJSD-BHRPWUJUSA-N 318.457 4.775 50 40 DJGB biogenic,in-vitro