smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C/C(Cc1ccccc1)=N/NC(=O)CNC(=O)Cc1ccc(Cl)cc1 13138570 DULIIBINJJDACZ-HMAPJEAMSA-N 357.841 2.734 50 1 FFGF CC=C(C)C(=O)O[C@@H]1C[C@H](O)C2=CC(=O)C(C(C)(C)OO)=C[C@@]2(C)[C@@H]1C 2356649597 QYBOEYZNFHEAHE-VWHWKWRLSA-N 364.438 2.975 50 1 FFGF N#C/C(C(=O)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)=C(/O)C1CC1 100785154 BUZPEJGOHVMZBP-QXMHVHEDSA-N 360.313 2.664 50 1 FFGF N#CC1=C(N)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@@H]12 53296314 AKXWPCFXKWCPJS-QZTJIDSGSA-N 351.454 2.639 50 1 FFGF COC(=O)c1coc([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587420300 HUJDTEMQMCELIK-XIKOKIGWSA-N 362.765 2.957 50 1 FFGF CC(=O)O[C@]1(C)CC[C@@H]2C[C@@H]1OO[C@]2(C)CS(=O)(=O)c1ccccc1 100836769 CQFIPESXGGQKLO-BZZMCLGOSA-N 368.451 2.671 50 1 FFGF COc1cccc2c(=O)c3c(O)cc(OC[C@H](O)CCl)cc3oc12 28822729 JNMGSHTXIICULG-SECBINFHSA-N 350.754 2.639 50 1 FFGF COC(=O)C[C@@H]1OO[C@](CCCC=C[C@](C)(OC)[C@@H](C)O)(OC)C[C@H]1C 2356759402 MJIUSKCPOCVTRD-SMYFESCOSA-N 374.474 2.761 50 1 FFGF COc1cc([C@@H]2Oc3c(OC)cc(/C=C\C=O)cc3[C@@H]2CO)ccc1O 15152892 GWCSSLSMGCFIFR-UDPNFQSTSA-N 356.374 2.831 50 1 FFGF CN(C)C(=O)C(C#N)=Cc1ccc(-c2nc3c[nH]c4nccc-4c3n2C)o1 1857752337 PRTMLZDYJMWOGO-UHFFFAOYSA-N 360.377 2.656 50 1 FFGF CCc1ccc(C2OOC(c3ccc(C(=O)NCCO)cc3)OO2)cc1 72175423 BNSCWQQTMCSOMI-UHFFFAOYSA-N 359.378 2.579 50 1 FFGF CC[C@@]1(C(=O)OC(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587789365 CEEPEGXPZSSQNJ-VXJOIVPMSA-N 358.207 2.817 50 1 FFGF Cc1cnc(Cl)c(Cn2cc(/C=N/NC(=O)c3ccc(F)cc3)nn2)c1 299861440 LKGGWYIDPAUHSW-ODCIPOBUSA-N 372.791 2.586 50 1 FFGF COc1ccc(/C=N/NC(=O)c2n[nH]c3c2Cc2ccccc2-3)cc1OC 1857554509 ANQPTOAHBBFIQR-SRZZPIQSSA-N 362.389 2.762 50 1 FFGF NNC(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c2c1 587109842 WECWCGQKFKFJCE-UHFFFAOYSA-N 364.283 2.550 50 1 FFGF Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)o2)cc1 103232052 BFVQGNZNPZSXEO-VXLYETTFSA-N 353.407 2.682 50 1 FFGF COc1ccc2c(c1Cl)/C(=N/NC(=O)[C@H](C)c1ccc(O)cc1)C(=O)N2 72179768 QVLYZKZXMRHJAY-SECBINFHSA-N 373.796 2.630 50 1 FFGF COc1ccc(-c2[nH]ncc2/C=N\NC(=O)c2cccs2)cc1OC 73279299 AVWAVNCLOCIKMV-GRSHGNNSSA-N 356.407 2.919 50 1 FFGF CN1C(=O)C[C@@H]2CN[C@@](CBr)(c3ccco3)c3cccc1c32 963026004 NAWMOKKBZBAJNL-PIGZYNQJSA-N 361.239 2.971 50 1 FFGF COc1ccc(C[C@H](C)c2nc3ccc(C(=O)NN)cc3[nH]2)cc1OC 587927113 RNQLXRNAXNZVNM-NSHDSACASA-N 354.410 2.530 50 1 FFGF COc1cc[n+](/C(C=C(C#N)C#N)=C(/O)c2ccc(OC)c(OC)c2)cc1 96933749 SDTWYKJPNMYMIV-LVZFUZTISA-O 364.381 2.857 50 1 FFGF O=C(CSc1nnc(-c2ccncc2)o1)N/N=C/c1ccccc1F 103232029 CTJIGBDAHWPFFO-DJKKODMXSA-N 357.370 2.513 50 1 FFGF C[C@H](CCl)C[C@@H]1C(=O)N(C)C(=C[C@H](C)C(Cl)Cl)C(=O)N1C 2356312570 GKYGSNSRYKQYTK-LPEHRKFASA-N 355.693 2.874 50 1 FFGF C#C/C=C\[C@@H](Cl)[C@H](O)[C@H]1C[C@H]2O[C@H]2C[C@H](Br)[C@@H](CC)O1 140122057 LCMJLOAUBZVHDH-PHZXUOAYSA-N 363.679 2.633 50 1 FFGF Cc1ccc2c(c1)[C@@]1(NC[C@H]3CC(=O)N(C)c4cccc1c43)C(C=O)=CO2 963023660 KJUHWXXTUGBLFZ-JLCFBVMHSA-N 360.413 2.767 50 1 FFGF O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)N/N=C/c1ccc(Cl)cc1 64485725 MOURQGPYUBIWBN-QGMBQPNBSA-N 357.757 2.748 50 1 FFGF O=C(CI)C(Br)=CBr 2356387191 KYMVYIJRYRKXIH-UHFFFAOYSA-N 353.779 2.622 50 1 FFGF COc1ccc(/C=N/N(C)C(=O)c2c(C)nc3ccccn23)cc1OC 95556309 LKAOBGLPUFQTGY-UDWIEESQSA-N 352.394 2.766 50 1 FFGF COC(=O)CCCCCCC(=O)N/N=C/c1cccnc1Br 95808766 GKAILODSVVLXTQ-WOJGMQOQSA-N 370.247 2.808 50 1 FFGF COc1ccc(/C=N\NC(=O)Nc2cccc3nsnc23)cc1OC 33340943 ZTSACJMBBKLKFK-MFOYZWKCSA-N 357.395 2.864 50 1 FFGF O=C(CBr)NCCc1nc2ccc(C(F)(F)F)cc2[nH]1 586971174 NOJLXCIJOVOVEV-UHFFFAOYSA-N 350.138 2.635 50 1 FFGF O=C1C=CC(Cl)=C/C1=C\NNC(=O)c1ccc(Br)cc1 16663520 DKTCKEOYMRLVLQ-CSKARUKUSA-N 353.603 2.829 50 3 FFGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cnon2)N1 587686518 VNOKRKUWSOYMBT-CPFSXVBKSA-N 360.614 2.988 50 1 FFGF C#CCSc1nc(NNC(N)=O)c(C#N)c(-c2ccc(C(C)C)cc2)n1 215894771 PIKBOZAQYIHUGC-UHFFFAOYSA-N 366.450 2.859 50 1 FFGF O=C(NN/C=C1\C=NN=C1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 13126187 QMSKSWLYPCRJKH-JLHYYAGUSA-N 369.768 2.855 50 3 FFGF CC(C)(F)[C@H](Br)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587087951 ZVEDJCWHBSKQAP-SECBINFHSA-N 351.197 2.994 50 1 FFGF COC(=O)[C@@]1(CCCCl)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962642434 URCJNGGWQDTHJK-KZULUSFZSA-N 355.862 2.968 50 1 FFGF COc1ccc2c(c1OC)[C@](C)([C@@H](Br)C=O)N(C)[C@@H](C)C2 962567097 JSISOGYQEIOZIE-NKFCBESUSA-N 356.260 2.758 50 1 FFGF COc1cc([C@H]2Oc3c(OC)ccc(C=CC=O)c3[C@H]2CO)ccc1O 2356407649 HDZDFHQYGJFWNH-AUUYWEPGSA-N 356.374 2.831 50 1 FFGF Cc1cc2c(cc1O)[C@@](CBr)(C1CCC1)N[C@H](C(=O)O)C2 963511026 ROPIWAOCFCQPPT-XJKSGUPXSA-N 354.244 2.690 50 1 FFGF O=C1C=Cc2ccccc2/C1=C/NNC(=O)c1ccc(Br)o1 15879919 CANCYTUMRQFGOB-XFXZXTDPSA-N 359.179 2.914 50 3 FFGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cnnn2C)N1 587687015 YLRJBJYUYJDHMI-RTHLEPHNSA-N 373.657 2.733 50 1 FFGF COC1=CC=C/C(=C\NNC(=O)CCCc2ccc(OC)c(C)c2)C1=O 13125611 CIQDWWPXFOGLQQ-DTQAZKPQSA-N 356.422 2.500 50 3 FFGF COc1cccc2c(=O)c3c(O)cc(OC[C@@H](O)CCl)cc3oc12 28822728 JNMGSHTXIICULG-VIFPVBQESA-N 350.754 2.639 50 1 FFGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cnon1 587544117 MNGJIJROEXDDEO-YOEHRIQHSA-N 358.737 2.871 50 1 FFGF CN1C(=O)C[C@@H]2CN[C@@](C(F)F)([C@@H](Cl)C(=O)C3CC3)c3cccc1c32 963014818 APFIYBCTMQHRNP-AJPKGMEUSA-N 368.811 2.787 50 1 FFGF COC(=O)[C@H]1[C@@H](OC(=O)c2ccc(N=C=S)cc2)C[C@H]2CC[C@@H]1N2C 89615184 JZGFOMFCWSMVHI-FXUDXRNXSA-N 360.435 2.602 50 1 FFGF Cn1nncc1[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544134 MUGBEKRFRCFYDM-YJBOKZPZSA-N 371.780 2.617 50 1 FFGF N#CC1=C(N)n2nc(N)c(Cc3cccs3)c2N[C@H]1c1cccs1 958026455 GMFLKOMLGPTWKR-CYBMUJFWSA-N 354.464 2.997 50 1 FFGF O=C(NNS(=O)(=O)c1ccccc1F)c1cncc(-c2ccccc2)c1 1857556247 VOEGDGRBMOOUFG-UHFFFAOYSA-N 371.393 2.511 50 1 FFGF O=C(CN1CCCc2ccccc21)NN/C=C1\C(=O)C=Cc2ccccc21 13118392 YTNSKFPKKDGLSO-RGEXLXHISA-N 359.429 2.697 50 3 FFGF Cc1cc(F)c([C@@H]2NCCc3cccc(-c4ccccc4)c32)cc1B(O)O 962671434 SCYRHFCNKPCWMV-QFIPXVFZSA-N 361.225 2.716 50 1 FFGF CCOc1ccc(/C=N/NC(=O)c2ccc(OCCN(C)C)cc2)cc1 1772641536 PXNGHSICJFPMMH-RCCKNPSSSA-N 355.438 2.790 50 1 FFGF COc1cc2c3c(c1)O[C@](CCl)(Cn1nnc4ccccc41)[C@@H](C2)C3=O 587417360 LWRPWXDYWDOMLZ-ORAYPTAESA-N 369.808 2.865 50 1 FFGF N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCn2cncn2)n1 13647793 DAEOWAHJDLWYEO-FOWTUZBSSA-N 362.422 2.590 50 1 FFGF CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc1 1857773950 QMKCQYYZTHJZIW-GOSISDBHSA-N 372.428 2.823 50 1 FFGF Cc1ccc(S(=O)(=O)NC(=O)OCC2=CC=C(CO)SS2)cc1 6522628 OWMMJALLYLHRDJ-UHFFFAOYSA-N 373.477 2.565 50 1 FFGF N#CC1=C(N)n2nc(N)c(Cc3cccs3)c2N[C@@H]1c1cccs1 958026456 GMFLKOMLGPTWKR-ZDUSSCGKSA-N 354.464 2.997 50 1 FFGF CCCC(=O)Nc1cccc(N/C(C)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)c1 142053754 PMKFIBFHJVCGQH-GDNBJRDFSA-N 372.377 2.596 50 1 FFGF O=C(CBr)NCCc1nc2ccc(OC(F)(F)F)cc2[nH]1 586971754 YFDOZYHDRRVHGT-UHFFFAOYSA-N 366.137 2.515 50 1 FFGF Nc1ccc2c3c(cccc13)C(=O)N([C@H]1C[N+]3(CCl)CCC1CC3)C2=O 28017356 ZOQKKUXZHIYKSU-BYGMSLGZSA-O 370.860 2.823 50 1 FFGF CC1(C)[C@H](O)C[C@H]2O[C@@]2(C)[C@@]12C[C@H](Br)[C@@](C)(Cl)C[C@@H]2O 2356571827 FDSHBAAWEKXEPR-BXLZFZHSSA-N 367.711 2.837 50 1 FFGF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)[C@H](OC)[C@@H](OC(=O)C(C)C)[C@H]12 2356607261 SKCDPGIEMVQDCR-BDXSIMOUSA-N 362.422 2.532 50 1 FFGF C/C=C(/C)C(=O)O[C@H]1C[C@@H](O)C2=CC(=O)C(C(C)(C)OO)=C[C@]2(C)[C@H]1C 44351279 QYBOEYZNFHEAHE-XSBSUDOJSA-N 364.438 2.975 50 1 FFGF COc1cc(/C=C\CO)cc(-c2cc(/C=C/C=O)cc(OC)c2O)c1O 238740986 NFXJIGSOQYQWLV-UZNMPDEFSA-N 356.374 3.000 50 1 FFGF NC(=O)N1CCc2sccc2[C@]1(CBr)c1cncs1 962705904 HOXTXKDFLQSLFO-GFCCVEGCSA-N 358.286 2.780 50 1 FFGF CCOC(=O)C[C@H](Br)[C@@]1(C)NCCc2c1c(C(C)C)nn2C 962915938 IHEGMRQXOIKLDM-BLLLJJGKSA-N 372.307 2.621 50 1 FFGF CC(C)C1=C(O)[C@@H]2OO[C@@H]3CC4=C(COC4=O)[C@@H]4CCC(=C2[C@]43C)C1=O 2356353752 CBMVHIJDYZYUER-JGAQIPAXSA-N 358.390 2.706 50 1 FFGF O=C(c1cc([C@@]2(CCl)NCCc3ccc(O)cc32)c[nH]1)N1CCCC1 963354707 YRHHGBGJBNIVPE-LJQANCHMSA-N 359.857 2.584 50 1 FFGF CC(C)(C)OC(=O)N[C@H](c1nc2ccc(C(=O)NN)cc2[nH]1)C1CCCC1 587224812 HNNPGABTHHLMOD-HNNXBMFYSA-N 373.457 2.922 50 1 FFGF O=C(N[C@H]1CC[C@@H](Br)[C@@H](Br)C1)C(F)(F)F 1857586434 MVSQUGOLSJOOEM-JKUQZMGJSA-N 352.976 2.744 50 1 FFGF O=C(N/N=C/Nc1ccc(C(=O)O)c(O)c1)c1ccc(C(F)(F)F)cc1 72114929 ADMTVXWJORGRRW-UHFFFAOYSA-N 367.283 2.894 50 1 FFGF COC(=O)[C@H](Cl)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587687778 HXBQWLHZMTVLTK-KKIHLJRUSA-N 350.615 2.944 50 1 FFGF O=C(NNS(=O)(=O)c1ccccc1)c1cc(-c2ccco2)ccc1F 1857591851 XBFLBCHOWLHNDV-UHFFFAOYSA-N 360.366 2.709 50 1 FFGF CO[P@](=O)(c1cccs1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 59425796 CGBRVFGUPUAYMU-OAQYLSRUSA-N 354.755 2.857 50 1 FFGF COc1ccc2c3c(n(C)c2c1)[C@H]1C[C@H]2C(C=O)=COC[C@H]2[C@@H](C3)N1C 2356642401 GEEYTZFURFNQAE-JQERWDHBSA-N 352.434 2.834 50 1 FFGF O=C(O)CCCCC(=O)O[C@]12CCCC[C@@H]1[C@H]1CCCC[C@@]1(O)OO2 253664717 MBHXUUGEWJXIFG-DTDBQYNISA-N 356.415 2.902 50 1 FFGF O=C(CCCCCCCc1ccccc1)NCc1ccc(B(O)O)cc1 653702285 NYBQYEHZYMFPIB-UHFFFAOYSA-N 353.271 2.566 50 1 FFGF COC(=O)C(=O)[C@@H](Cl)[C@]1(C)NCCc2c(Cl)cc(Cl)cc21 963124545 QXZNYESCXJXDAJ-TZMCWYRMSA-N 350.629 2.704 50 1 FFGF O=C(CN1C(=O)c2ccccc2N[C@@H]1c1ccoc1)N/N=C/c1ccco1 1772643127 BKUJSNRSPPDKJQ-HGMDMCOWSA-N 364.361 2.589 50 1 FFGF CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OCCCNC(=N)CSS(=O)(=O)O)C2 105301094 ZSWMGXUMVHGEJK-HUBLWGQQSA-N 364.533 2.711 50 1 FFGF O=C1[C@H](Cl)[C@@H](c2ccccc2Cl)N1n1cnc2ccccc2c1=O 5838607 UTFVGRNGKLFYML-HUUCEWRRSA-N 360.200 2.877 50 1 FFGF CCOC(=O)[C@H](Cl)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541883 DQUHVBDCZXGWOJ-JJRVBVJISA-N 362.765 2.893 50 1 FFGF Cc1nc(N2NC(c3ccco3)=C[C@H]2c2ccccc2)sc1C(=O)NN 958043844 WPMNHJWEEQANJB-AWEZNQCLSA-N 367.434 2.755 50 1 FFGF O=C1Nc2ccc([N+](=O)[O-])cc2C(c2ccccc2)=N[C@H]1OCCCl 33828959 BCUZYWBXYVLOQW-KRWDZBQOSA-N 359.769 2.966 50 1 FFGF CC[C@H](Br)[C@@H]1C[C@H](Br)[C@H]2C[C@H](O2)[C@@H](CC=O)O1 238788493 BQABDHDTPBUHTH-ZXZMWMBJSA-N 370.081 2.827 50 1 FFGF COCCCCn1c(=O)cc(Nc2ccc(C)c(CCl)c2)[nH]c1=O 13522353 CLFBNOQFXGDSCZ-UHFFFAOYSA-N 351.834 2.754 50 1 FFGF C[C@H](O)CCC[C@H](O)/C=C/[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C/C=C\CCCC(=O)O 87528739 MTVPUJQVDLAVML-MJNIETPJSA-N 368.470 2.991 50 1 FFGF in-vitro CCCc1c(O)ccc2c1O[C@]1(C=NN(C(C)C)C(=O)[C@@H]1Cl)CC2=O 587459747 FZFJSXWWZHLXLH-WMZOPIPTSA-N 364.829 2.893 50 1 FFGF NNC(=O)c1ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c2c1 587230238 QJKLYRBQYIANBC-UHFFFAOYSA-N 358.405 2.841 50 1 FFGF C#C/C=C/C[C@H]1O[C@@H]2C[C@H]1O[C@H](CC)[C@@H](Br)C[C@H]2OC(C)=O 238778440 BIUSEKZVPMEEEN-PDMDIEBTSA-N 371.271 2.986 50 1 FFGF C[C@H](O[Si](C)(C)C)[C@@H]1C=C[C@H](C)n2c(=O)n(-c3ccccc3)c(=O)n21 254140621 AJRYFWHAPFUXFO-DZKIICNBSA-N 359.502 2.713 50 1 FFGF O=C(CCCCCCCCCN=C=S)CC(=O)N[C@H]1CCOC1=O 72178287 OGDSYRZYJUKJBP-HNNXBMFYSA-N 354.472 2.601 50 1 FFGF biogenic N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@H]1c1ccccc1[N+](=O)[O-] 102411028 LEHFZJIESZGSQK-HNNXBMFYSA-N 373.324 2.736 50 1 FFGF O=CN1CCc2cc([C@@]3(CCl)NCCc4c(C(=O)O)cccc43)ccc21 963120327 GMKJDYCRLJHYDB-HXUWFJFHSA-N 370.836 2.532 50 1 FFGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCN(C)C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 14128063 JWJDQOMUVHWFAI-YRPRCUQKSA-N 355.475 2.773 50 1 FFGF CCCc1c(O)ccc2c1O[C@](CBr)(C(=O)OC)CC2=O 587455534 COOZIKAHRNZGOT-OAHLLOKOSA-N 357.200 2.617 50 1 FFGF O=C1C=CC(=CNNC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)[nH]n2)C=C1 13125006 GMPJDNQSLHKISE-UHFFFAOYSA-N 364.449 2.691 50 3 FFGF COc1cccc2c1O[C@@H]1C=C(OC[C@@](C)(O)CCl)C=C(O)[C@@H]1C2=O 169293095 QWMGLPOWAGDAGL-VKJFTORMSA-N 366.797 2.601 50 1 FFGF CCCCCC(=O)O[C@@H]1C2=C(C=O)[C@]34C[C@@]3(CC2=CC1(C)C)C(=O)O[C@@H]4O 2356720888 MQPOERGLRKKIDH-LGYWMIHWSA-N 374.433 2.596 50 1 FFGF Cc1[nH]cnc1/C=N/NC(=O)c1cnc2c(C(F)(F)F)cccc2c1O 73195933 ZGZGIQAAPANSJL-TXNBCWFRSA-N 363.299 2.755 50 1 FFGF C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@]12CC[C@](O)(CCl)C(=O)C2 85855777 SVNHPGVWJZJWRJ-LVGORTOPSA-N 365.695 2.806 50 1 FFGF biogenic C#CC=CC[C@@H]1O[C@H]2C[C@H]1O[C@H](CC)[C@H](Br)C[C@H]2OC(C)=O 2356542897 BIUSEKZVPMEEEN-DBHDPKECSA-N 371.271 2.986 50 1 FFGF C=CCN1N=C[C@]2(CC(=O)c3ccc(O)c(CCC)c3O2)[C@H](Cl)C1=O 587461993 OLLYJCOARUWBPM-SJLPKXTDSA-N 362.813 2.670 50 1 FFGF CC=C(C)C(=O)O[C@@H]1C[C@H](O)C2=CC(=O)C(C(C)(C)OO)=C[C@@]2(C)[C@H]1C 2356649594 QYBOEYZNFHEAHE-QIYNHLNTSA-N 364.438 2.975 50 1 FFGF Cc1c(O)ccc2c1[C@@](CCCCl)(c1ncco1)N[C@H](C(=O)O)C2 963547961 CRPAAESJIAMROV-SJCJKPOMSA-N 350.802 2.550 50 1 FFGF O=C1C=CC(=CNNC(=O)c2ccccc2NC(=O)c2ccccc2)C=C1 13123242 AOQVNMLIUVBBMP-UHFFFAOYSA-N 359.385 2.752 50 3 FFGF COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)c(O)cc1O 141631751 DLDPOJWSAGKCAW-KEBDBYFISA-N 352.346 2.729 50 1 FFGF C=C(C=O)[C@@H]1CC2=C([C@@H](OC(C)=O)C1)[C@@]1(CCCC(C)(C)C1=O)COC2=O 2356602527 CIFIZNMSNSLKRM-IVZHQMGZSA-N 374.433 2.702 50 1 FFGF COc1cccc2c1C(=O)c1c(OC)cc(CNCCCl)cc1C2=O 29344502 QWNGXEISNPHOTM-UHFFFAOYSA-N 359.809 2.808 50 1 FFGF C#C/C=C/C[C@@H]1O[C@@H]2C[C@H]1O[C@H](CC)[C@@H](Br)C[C@H]2OC(C)=O 238761859 BIUSEKZVPMEEEN-BKMISIJJSA-N 371.271 2.986 50 1 FFGF C[C@H](CCl)C[C@@H]1C(=O)N(C)C(=C[C@@H](C)C(Cl)Cl)C(=O)N1C 2356312569 GKYGSNSRYKQYTK-IVZWLZJFSA-N 355.693 2.874 50 1 FFGF CC(=O)OC/C=C/[C@H](O)[C@H](/C=C/COC(C)=O)O[Si](C)(C)C(C)(C)C 195419394 XRPIUKCIFUBHHO-MORPDLRTSA-N 372.534 2.976 50 1 FFGF CC(C)(C)[Si](OCc1ccn[nH]c1=O)(c1ccccc1)c1ccccc1 299868008 ZDQQCADKFQIHNY-UHFFFAOYSA-N 364.521 2.847 50 1 FFGF Cc1ccc(Cl)c2c1NC(=O)[C@@H]2NNC(=O)[C@@H](C)c1ccc(O)cc1 103529252 QYEVTRORXICGHU-MGPLVRAMSA-N 359.813 2.772 50 1 FFGF in-vitro O=C1[C@H](Cl)[C@@H](c2ccccc2)N1/N=C/CCn1nnc2ccccc21 66251227 YQYWEUJMANDSGT-WGQIQHNGSA-N 353.813 2.998 50 1 FFGF COC(=O)CCCCCCC(=O)N/N=C/c1ccc(OC)cc1OC 95808701 PPQWMWIBISGRKU-CPNJWEJPSA-N 350.415 2.668 50 1 FFGF CC(C)Oc1ccc(C(=O)NCCCSSCCN(C)C)cn1 618017745 XYZDFEKBILDUKV-UHFFFAOYSA-N 357.545 2.932 50 1 FFGF O=C(CCNC(=O)c1ccccc1Cl)N/N=C\c1ccccc1[N+](=O)[O-] 5945796 PLDGXRBHESSCLM-JAIQZWGSSA-N 374.784 2.518 50 1 FFGF COC(=O)CCCCCCC(=O)N/N=C/c1coc2ccccc2c1=O 95808694 DXCSROGQSPVNQM-UDWIEESQSA-N 358.394 2.757 50 1 FFGF C/C(=N\NC(N)=O)c1ccc2ncc([C@@H](C)c3ccc4ncccc4c3)n2n1 68248450 OYLNUVXSYVMYHL-XNNJXTGESA-N 373.420 2.822 50 1 FFGF CC=C(C)C(=O)O[C@H](C1=C(C)C(=O)O[C@@H]1O)[C@@]1(C)C(C=O)=CCC[C@@H]1C 2356544940 JUWNQGFIHXLZHN-CVAYLJBOSA-N 362.422 2.618 50 1 FFGF NNC(=O)c1ccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 587081210 XWHNDBNYUDMAAC-CYBMUJFWSA-N 368.828 2.544 50 1 FFGF CC(C)(NC(=O)CCl)c1nc2c(Br)cnc(Cl)c2[nH]1 587008718 QWRSDAXYVUVZLQ-UHFFFAOYSA-N 366.046 2.964 50 1 FFGF CC/C(=N/NC(N)=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12 1857580766 IKWMYVWPFOOFCM-SILNSSARSA-N 370.434 2.661 50 1 FFGF Cc1nc(-c2cccnc2)sc1C(=O)NCCSSCCN 618007598 HLBZUYAMBRIKPY-UHFFFAOYSA-N 354.526 2.583 50 1 FFGF CCOC1=C/C(=C/NNC(=O)c2c(-c3ccccc3)noc2C)C=CC1=O 15962467 PXAIZBGRHHZUPV-WYMLVPIESA-N 365.389 2.828 50 3 FFGF N#CC1=C(N)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@H]12 53296323 AKXWPCFXKWCPJS-ROUUACIJSA-N 351.454 2.639 50 1 FFGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1nonc1C)O2 587374059 NSCXAJYXQOYPBX-CQSZACIVSA-N 352.188 2.524 50 1 FFGF COc1cc2c3c(c1)O[C@](CBr)(c1cnccn1)[C@@H](C2)C3=O 587414065 RLJVNWHGJRITIB-ZBEGNZNMSA-N 361.195 2.523 50 1 FFGF CCOC(=O)[C@@]1([C@H](C)Br)CC(=O)c2cc(C)cc(N)c2O1 587374598 PEVHIVILJCZYDA-VFZGTOFNSA-N 356.216 2.628 50 1 FFGF CNCCCN(C)c1nccc(/C(C#N)=C2\Nc3ccccc3S2)n1 13647735 FQMSEJKTPZEELW-GHRIWEEISA-N 352.467 2.932 50 1 FFGF COC(=O)CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 44201871 MLCMYVNIWOSCTQ-LKQXGUGWSA-N 370.442 2.774 50 1 FFGF COc1ccc(C(=O)N/N=C/c2cc(F)cc(Cl)c2O)cc1OC 49071668 DDMQFUPENYKWQP-UFWORHAWSA-N 352.749 2.966 50 1 FFGF N#CC1=C[C@H]2CN(Cc3ccccc3)[C@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]21 105183861 MPBVULAEDBTSOF-MJUUVYJYSA-N 369.424 2.756 50 3 FFGF O=C(NNC(=O)[C@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1)c1ccncc1 49070836 ZSOXEPTXZVLNSA-KGLIPLIRSA-N 365.311 2.545 50 1 FFGF O=C(CCCCCCC(=O)N/N=C/c1cccc(Br)c1)NO 95808469 LANASGAPTBHWBA-GZTJUZNOSA-N 370.247 2.745 50 1 FFGF C/C(=N\NC(=O)CN[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccccc1O 1857761021 GUGMVVMJTRYBSF-GKZCFCSGSA-N 359.376 2.656 50 1 FFGF O=C(CCCCC(=O)N/N=C/c1ccc2c(c1)Cc1ccccc1-2)NO 95809788 XOQBYZUYJUGHSW-FYJGNVAPSA-N 351.406 2.774 50 1 FFGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(=O)N(C)C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 96907599 ZNRQRWSKSAUHJX-OJZDQQLJSA-N 355.431 2.893 50 1 FFGF Cc1nn(CCCl)c(C)c1[C@@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21 962896157 JEEZWEMFYOTITP-GOEBONIOSA-N 351.809 2.566 50 1 FFGF Cc1c(SC2CCCCC2)n(COCBr)c(=O)[nH]c1=O 28123230 YHKOLQAITWGZLS-UHFFFAOYSA-N 363.277 2.596 50 1 FFGF O=C(NCCCl)Nc1ccc(S(=O)(=O)Oc2cccc(F)c2)cc1 473146764 DESNMGPMNDOOLV-UHFFFAOYSA-N 372.805 2.954 50 1 FFGF COc1ccc([C@@H]2Oc3c(O)cc(/C=C\C=O)cc3[C@H]2CO)cc1OC 210733329 YGQBKZGYLCQCDU-UYOUTQTKSA-N 356.374 2.831 50 1 FFGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C(N)=O)oc1C)[C@@H](C2)C3=O 587416490 AINSVXYFEMVPKC-KPZWWZAWSA-N 361.781 2.577 50 1 FFGF CC(C)=CC[C@@H](OC(=O)CCl)C1=CC(=O)c2c(O)ccc(O)c2C1=O 13740801 SWCRIDVGNNWKMD-CQSZACIVSA-N 364.781 2.910 50 1 FFGF CC1(C)CCC[C@]2(C)[C@H](CCC(=CC(=O)O)CO)C(C=O)=C[C@@H](O)[C@H]12 2356783108 KUYGTNJOUIZLNV-QQTQMKHKSA-N 350.455 2.719 50 1 FFGF CCOC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(-c3nnn[nH]3)c2)c1C 73196181 BHLQOCMEJKRJNP-CXUHLZMHSA-N 362.393 2.744 50 1 FFGF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)[C@H]1CCCO1 1857596592 INMVQOOVAFFVNO-MRGVZLDZSA-N 363.801 2.627 50 1 FFGF C=CCCCCC=C[C@H](O)CC#CC#C[C@H](Cl)[C@@H](O)COC(C)=O 2356419446 SWOPGEJOJDUACS-FHWLQOOXSA-N 352.858 2.578 50 1 FFGF CCc1ccc(C2OOC(c3ccc(C(=O)NCCCO)cc3)OO2)cc1 72175256 STPNJFZOMBBZFI-UHFFFAOYSA-N 373.405 2.969 50 1 FFGF C=C1CC[C@@H](C(C)C)/C=C/[C@](C)(O)C[C@@H](O)[C@H](O)[C@@]2(C)CC[C@@H]1OO2 238775128 FAJGWQQSQDRLJV-ALJQKLBPSA-N 354.487 2.897 50 1 FFGF C=CCCCCC=C[C@H](O)CC#CC#C[C@@H](Cl)[C@@H](O)COC(C)=O 2356419449 SWOPGEJOJDUACS-OTWHNJEPSA-N 352.858 2.578 50 1 FFGF O=C(NNC(=S)Nc1ccc(F)cc1)c1nc(-c2ccccc2)no1 40877033 WTGGTINVKQVGOO-UHFFFAOYSA-N 357.370 2.507 50 1 FFGF CNC(=O)c1cc2c(cc1OC)[C@@]1(C)C=C(C#N)C(=O)C(C)(C)[C@@H]1CC2 1857766222 XOJLIKOFSUMILX-LAUBAEHRSA-N 352.434 2.934 50 1 FFGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cnn(C)n2)N1 587686344 UBPRXXHKKJWMSK-RTHLEPHNSA-N 373.657 2.733 50 1 FFGF COc1cc2ccccc2cc1/C=N/NC(=O)c1cc(O)c(O)c(O)c1 1772650810 GEXHIXSPAHTXHR-KEBDBYFISA-N 352.346 2.729 50 1 FFGF CC1(C)CC(=O)C2=C(C1)N(c1nc[nH]n1)C(N)=C(C#N)[C@@H]2c1cccs1 5408224 IOWUXMIAWHYTRS-CQSZACIVSA-N 366.450 2.807 50 1 FFGF COc1ccc(/C=N/NC(=O)CCn2cc(C)c3cccnc32)cc1OC 115598489 ONUQNRVOIIDUKY-WSDLNYQXSA-N 366.421 2.902 50 1 FFGF CC=C(C=O)[C@@H]1C[C@H]2c3[nH]c4ccc(O)cc4c3CCN2C=C1C(=O)OC 2356546514 MQVIKCNEQLUJFY-KXBFYZLASA-N 366.417 2.995 50 1 FFGF C/C(=N\NC(=O)c1ccn(C)n1)c1ccc(NC(=O)C2CCCC2)cc1 13108614 OVGFYXIJZVTFSU-FYJGNVAPSA-N 353.426 2.703 50 3 FFGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OCC(C)C)C[C@](C)(OO)[C@@H]1C(=O)C=C(C)[C@@H]21 2356460153 LEAHFVKYKVNWRT-PITCONLNSA-N 350.411 2.539 50 1 FFGF CN1CCN(C2=C(C=O)n3c(C=O)ccc3Sc3ccccc32)CC1 13532225 AMECFCFFHHGFQV-UHFFFAOYSA-N 353.447 2.537 50 1 FFGF C[C@H](O)CCC[C@H](O)C=C[C@@H]1[C@H]2C[C@@H](OO2)[C@@H]1CC=CCCCC(=O)O 2356345216 MTVPUJQVDLAVML-KCTOORRSSA-N 368.470 2.991 50 1 FFGF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(C(=O)NN)cc2[nH]1 587075852 NMUOBVAQNSUREZ-UHFFFAOYSA-N 366.812 2.981 50 1 FFGF COc1cc2c3c(c1)O[C@@](CBr)([C@@H]1CCOC1)[C@@H](C2)C3=O 587413388 NULQRKNOJKLWLC-XAGWURHQSA-N 353.212 2.613 50 1 FFGF COc1cccc2c1O[C@@H]1C=C(OC[C@](C)(O)CCl)C=C(O)[C@H]1C2=O 64553244 QWMGLPOWAGDAGL-IIDMSEBBSA-N 366.797 2.601 50 1 FFGF N#C/C(=C\c1cccc(Br)n1)C(=O)N[C@@H](CO)c1ccccc1 73166105 YQXBVRJJFGOOEI-GLNPCMGASA-N 372.222 2.601 50 1 FFGF COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@H]2CO)cc(O)c1O 15161139 USSBRSIZHILPBL-MXFOGMGMSA-N 372.373 2.537 50 1 FFGF Oc1ccc([C@@H]2Oc3cc(O)c(Cl)c(O)c3[C@@H](Cl)[C@H]2O)cc1O 40786406 VCXPPWLVMKLPIT-YUELXQCFSA-N 359.161 2.937 50 1 FFGF O=C(CCl)N[C@H]1CC[C@H](NC(=O)COc2ccc(Cl)cc2)CC1 621431747 DMPMJBKACZXOCQ-JOCQHMNTSA-N 359.253 2.501 50 1 FFGF CC(/C=N/Nc1ccc([N+](=O)[O-])cc1)=N\NC(=O)c1ccc(N(C)C)cc1 1857642255 UWDYSQGNLPYJGE-KVOOEGMKSA-N 368.397 2.864 50 1 FFGF C[C@H]1CC(=O)NN=C1c1ccc(NC(=O)C(C)(C)CBr)cc1 27891701 GDDWHYBBVBCAIJ-JTQLQIEISA-N 366.259 2.906 50 1 FFGF CC(C)C[C@]1(c2ccc(B(O)O)cc2)c2ccc(F)cc2C[C@@H]2CCCN21 963100659 IPYIZIUWMGAQOE-UNMCSNQZSA-N 367.273 2.816 50 1 FFGF BrC/C=C\c1nc2cc(I)cnc2[nH]1 586973251 HAQODKHFRYHXIJ-UPHRSURJSA-N 363.984 2.971 50 1 FFGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H]([C@@H]3C=CC(=O)O3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103105425 ZLWLGBYIVASLOM-WRNINALGSA-N 350.411 2.719 50 1 FFGF O=c1c2ccccc2oc2cc(OC[C@H](O)CBr)cc(O)c12 28822784 CXDQMCVVJNYQBX-SECBINFHSA-N 365.179 2.786 50 1 FFGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(OCC(N)=O)cc1)O2 587374319 WGQZJIBOMJCTJS-LJQANCHMSA-N 374.824 2.541 50 1 FFGF O=C1C=CC(=O)c2c(O)c(N(CCCl)CCCl)c(Cl)c(O)c21 1638225 VKJVVZBPJMASCF-UHFFFAOYSA-N 364.612 2.970 50 1 FFGF CC[C@@]12CCC[C@H]3[C@H](C(=O)NN)Cc4c(n(c5cccc(O)c45)C(=O)C1)[C@H]32 27893922 VRTAJCBAFFDROC-FSRJNRQPSA-N 367.449 2.833 50 1 FFGF C/C(CC(=O)Nc1cc(C)ccn1)=N/NC(=O)COc1cccc(C)c1 13152128 LRCTTYXIFOTKQR-JCMHNJIXSA-N 354.410 2.598 50 1 FFGF CC(=O)OC[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544625 OOXCZNATERPWCQ-YJBOKZPZSA-N 362.765 2.895 50 1 FFGF C/C(CCc1ccccc1)=N\NC(=O)CC(=O)NCCc1ccccc1 6998739 JWOBXSFFFLBVLI-HAVVHWLPSA-N 351.450 2.860 50 3 FFGF C[C@H](O[Si](C)(C)C)[C@H]1C=C[C@@H](C)n2c(=O)n(-c3ccccc3)c(=O)n21 195493333 AJRYFWHAPFUXFO-IJEWVQPXSA-N 359.502 2.713 50 1 FFGF CN(C)CCSSCCn1cc(CNCc2ccccc2)nn1 618009781 IJYMMRYHXMHFBR-UHFFFAOYSA-N 351.545 2.511 50 1 FFGF NNC(=O)c1ccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2c1 587133583 URXDITAHLTUNEA-UHFFFAOYSA-N 367.167 2.843 50 1 FFGF CC(=CC[C@H](O)[C@@](C)(Br)CCl)[C@H](O)CBr 2356443132 ATTBFMYAZGXNEC-UTLUCORTSA-N 364.505 2.832 50 1 FFGF CC(/C=N/N(C)c1ccc([N+](=O)[O-])cc1)=N\NC(=O)c1ccccc1O 1857756474 OCOTWWBIJQSLMN-GDAWTGGTSA-N 355.354 2.528 50 1 FFGF N#CC1=C[C@@H]2CN(Cc3ccccc3)[C@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]21 31672765 MPBVULAEDBTSOF-CWJKEVGVSA-N 369.424 2.756 50 1 FFGF C/C(=C\C[C@@H](O)[C@](C)(Br)CCl)[C@@H](O)CBr 138191262 ATTBFMYAZGXNEC-OISDZULVSA-N 364.505 2.832 50 1 FFGF COc1ccc([C@H]2Oc3c(O)cc(C=CC=O)cc3[C@@H]2CO)cc1OC 2356575719 YGQBKZGYLCQCDU-HNAYVOBHSA-N 356.374 2.831 50 1 FFGF Cc1c(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2O)oc2cccc(O)c12 1911571617 ZSMOMSQTQCNLJU-LSCVHKIXSA-N 355.306 2.825 50 1 FFGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12COC(CCl)=CC2=O 587545240 OLLBHGVZXYFLLE-VQIMIIECSA-N 372.760 2.815 50 1 FFGF O=C1Nc2c(Br)cccc2/C1=N/NC(=O)c1ccccc1F 103206322 ZUONCWXGIBDFHW-UHFFFAOYSA-N 362.158 2.674 50 1 FFGF C=C1C[C@H](OC(=O)C(C)=CC)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C=C[C@@]2(C)OO 2356443999 GNCLTABIHJGZSJ-KAPKYQHQSA-N 360.406 2.973 50 1 FFGF COc1cc[n+](C(C=C(C#N)C#N)=C(O)c2ccc(OC)c(OC)c2)cc1 1857742444 SDTWYKJPNMYMIV-UHFFFAOYSA-O 364.381 2.857 50 1 FFGF Cc1ncc(-c2nc3ccc(C(=O)NN)cc3[nH]2)c(C)c1Br 586979361 LIGXOFNTYSBWTF-UHFFFAOYSA-N 360.215 2.608 50 1 FFGF N[P@@](=O)(OCc1ccccc1[N+](=O)[O-])N(CCCl)CCCl 1915120 VWSOGIZHXGRMDM-OAQYLSRUSA-N 356.146 2.958 50 1 FFGF CCOC(=O)C[C@H](Br)[C@]1(C)NCCc2c1c(C(C)C)nn2C 962915940 IHEGMRQXOIKLDM-LRDDRELGSA-N 372.307 2.621 50 1 FFGF Cc1nn(C)c2c1[C@@H](c1ccc(OC(F)(F)F)cc1)C(C#N)=C(N)O2 1772633607 FURFYJHQHAIRQY-ZDUSSCGKSA-N 350.300 2.845 50 1 FFGF COc1ccc2c(c1OC)[C@](C)([C@@H](Br)C=O)N(C)[C@H](C)C2 962567094 JSISOGYQEIOZIE-HICWGWBUSA-N 356.260 2.758 50 1 FFGF O=C(CCCCC(=O)N/N=C/c1cccc(Oc2ccccc2)c1)NO 95809391 XWTVBZFWWZPJPY-XSFVSMFZSA-N 355.394 2.995 50 1 FFGF Cc1ccc(OCC(=O)NN/C=C2\C=Nc3ccccc32)c([N+](=O)[O-])c1 13119348 VMXPTXVZDBUFDX-JLHYYAGUSA-N 352.350 2.660 50 3 FFGF COc1ccc(Cl)c2c1CCN[C@]2(CCl)c1cc(C(N)=O)co1 963257066 GMZFYVTWRIOBEH-MRXNPFEDSA-N 355.221 2.669 50 1 FFGF Cc1cc(NNC(=O)c2ccc([N+](=O)[O-])cc2)c2cc3c(cc2n1)OCO3 84725413 LTILITBAWYBMRW-UHFFFAOYSA-N 366.333 2.937 50 1 FFGF CC1(C)CC(=O)C2=C(C1)N(c1nc[nH]n1)C(N)=C(C#N)[C@H]2c1cccs1 5408209 IOWUXMIAWHYTRS-AWEZNQCLSA-N 366.450 2.807 50 1 FFGF O=C(N/N=C/c1ccc2c(c1)no[n+]2[O-])c1ccc(Cl)c(Cl)c1 72113269 KRSLKLUVLMCSNX-REZTVBANSA-N 351.149 2.532 50 1 FFGF CC(C)NC(=O)c1ccc(Cl)cc1C(=O)NN=Cc1ccc(O)cc1 472791547 BASGHWRVTIGGDD-UHFFFAOYSA-N 359.813 2.948 50 1 FFGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC/C=C\CO)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 49756995 LLYSKOKOPFAQNE-LBVXNRGYSA-N 354.443 2.760 50 1 FFGF O=C(O)CCCCC(=O)O[C@]12CCCC[C@@H]1[C@@H]1CCCC[C@]1(O)OO2 253664712 MBHXUUGEWJXIFG-DACLVMHWSA-N 356.415 2.902 50 1 FFGF COc1ccc(-c2nc3ccc(C(=O)NN)cc3[nH]2)c(C(F)(F)F)c1 587096873 CUMRCLUQBQSHPT-UHFFFAOYSA-N 350.300 2.861 50 1 FFGF C=C1C[C@H](OCC(C)C)[C@@H]2C(=C)C(=O)O[C@@H]2C=C(C)[C@H](O)C[C@@H]1OO 2356692081 ITYHUNDKHWVEMW-ICUGJSFKSA-N 352.427 2.641 50 1 FFGF O=C(NNC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2[nH]1 73159374 WGDYVTXYOPYPJO-UHFFFAOYSA-N 355.379 2.708 50 1 FFGF CN(C)CCSSCCCNC(=O)c1cc(-c2ccco2)on1 621485653 DEKDSMLMRPEBRU-UHFFFAOYSA-N 355.485 2.998 50 1 FFGF CCCc1c(O)ccc2c1O[C@]1(C=NN(CC)C(=O)[C@H]1Cl)CC2=O 587461348 MLLJATAIKNGUGB-WBVHZDCISA-N 350.802 2.504 50 1 FFGF O=C1OC(=O)c2cc(-c3nc4c(F)cnc(Br)c4[nH]3)ccc21 586905837 DPUZSOXNMZPOFY-UHFFFAOYSA-N 362.114 2.837 50 1 FFGF C#CC=C[C@H](Cl)[C@H](O)[C@@H]1C[C@@H]2O[C@@H]2C[C@H](Br)[C@@H](CC)O1 2356469379 LCMJLOAUBZVHDH-XTELSCJUSA-N 363.679 2.633 50 1 FFGF C=CCC1=CC=C/C(=C\NNC(=O)CCC(=O)Nc2ccc(F)cc2)C1=O 13119104 DSSBQTUXOQKNCV-FYWRMAATSA-N 369.396 2.691 50 3 FFGF O=C(NNS(=O)(=O)c1ccccc1F)c1cccc(-c2ccco2)c1 1857611882 UHRYWWFKPZVYSQ-UHFFFAOYSA-N 360.366 2.709 50 1 FFGF COC(=O)[C@H]1[C@@H](OC(=O)c2cccc(N=C=S)c2)C[C@H]2CC[C@H]1N2C 100645145 ZADOIUXREBYRAU-LVQVYYBASA-N 360.435 2.602 50 1 FFGF CN(C)C(=O)c1ccc2c(c1)[C@@](CCl)(c1nc3ccccc3[nH]1)NCC2 962935029 XGVIBLXLGAHDJY-FQEVSTJZSA-N 368.868 2.893 50 1 FFGF CC1(C)[C@H]2CC[C@@]1(C)[C@H](OCCC/N=C(\N)CSS(=O)(=O)O)C2 102997401 ZSWMGXUMVHGEJK-ZOWXZIJZSA-N 364.533 2.501 50 1 FFGF COC(=O)C(C)(C)[C@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 587372239 HYDMNHMONPKUOS-MRXNPFEDSA-N 370.243 2.875 50 1 FFGF COC(C)(C)[C@@H](Br)c1nc2nc(Br)c[nH]c-2n1 586970663 HZCROQXJKCDFLD-LURJTMIESA-N 364.041 2.928 50 1 FFGF CC[C@H](Br)C(=O)Nc1ccc(C2=NNC(=O)C[C@H]2C)cc1 27890857 JVYOZQDPPFGVCU-SKDRFNHKSA-N 352.232 2.659 50 1 FFGF NCCSSCCNC(=O)c1cc(F)c(F)cc1Br 618008021 WNFINGVIMXEGQF-UHFFFAOYSA-N 371.272 2.797 50 1 FFGF NNC(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 587081214 XWHNDBNYUDMAAC-ZDUSSCGKSA-N 368.828 2.544 50 1 FFGF N#CC1=C[C@H]2CN(Cc3ccccc3)[C@H]1[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 105183853 MPBVULAEDBTSOF-ZIBCJSCZSA-N 369.424 2.756 50 3 FFGF CC1=Nc2ccccc2/C1=C/NNC(=O)CNc1ccc2c(c1)OCO2 103762304 CIIBIKYBLIROPW-OQLLNIDSSA-N 350.378 2.595 50 3 FFGF N[P@](=O)(OCc1ccccc1[N+](=O)[O-])N(CCCl)CCCl 14236079 VWSOGIZHXGRMDM-NRFANRHFSA-N 356.146 2.958 50 1 FFGF Oc1ccc([C@]2(CBr)NCCc3nc4ccccn4c32)cc1O 962986558 IQIKTZADMZPSHO-KRWDZBQOSA-N 374.238 2.530 50 1 FFGF COc1cc2c(c3oc(=O)ccc13)[C@H](O)[C@@H](Br)C(C)(C)O2 40933914 WCHWRYWYUMSGLP-GXTWGEPZSA-N 355.184 2.770 50 1 FFGF O=C(O)CCCCCC(=O)N/N=C/c1ccc(O)cc1Br 95808600 RZRRYNPFRUIESI-CXUHLZMHSA-N 357.204 2.640 50 1 FFGF O=[P@]1(N(CCCl)CCCl)N[C@H](OO)C[C@@H](c2ccncc2)O1 14263393 DHTIANLVNZRQBP-DRONIGIMSA-N 370.173 2.836 50 1 FFGF CC[C@H](Br)[C@@H]1C[C@H](Br)[C@H]2C[C@@H](O2)[C@H](CC=O)O1 2356738806 BQABDHDTPBUHTH-DCHHYWPUSA-N 370.081 2.827 50 1 FFGF CC[C@@H]1C[C@@]2(CC)O/C(=C\C(=O)OC)[C@@]3(CC)OO[C@H]([C@@H](C)O)[C@@H]1[C@H]32 95578020 HXBJHHAGBLMCAA-VYQOPCACSA-N 354.443 2.745 50 1 FFGF CC[C@@]1(C(=O)OC(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 587789356 CEEPEGXPZSSQNJ-ANRSDYALSA-N 358.207 2.817 50 1 FFGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(Cn1nnc3ccccc31)O2 587372807 MXZXAFXBKVNHIB-SFHVURJKSA-N 356.813 2.965 50 1 FFGF COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c1OC 13586148 MAJMEGGBRWCHCR-GOSISDBHSA-N 351.406 2.988 50 1 FFGF C=CCCCCC=C[C@H](O)CC#CC#C[C@H](Cl)[C@H](O)COC(C)=O 2356419447 SWOPGEJOJDUACS-GBESFXJTSA-N 352.858 2.578 50 1 FFGF C=C(C)[C@H](O)CC[C@@]1(C)[C@H]2CC=C3CO[C@H](O)[C@@H]3[C@@]2(C)[C@@H](O)C[C@H]1Cl 2356683283 OEHHQEMJHDYXHN-RZUJNUHGSA-N 370.917 2.999 50 1 FFGF COC(=O)Nc1nc2ccc(OCC(=O)N/N=C/c3ccco3)cc2s1 653780775 NOCQLFCGDXBAGR-CAOOACKPSA-N 374.378 2.597 50 1 FFGF O=C(O)CC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccccc3)[C@H]2C1 26166728 IWQCLWMWPCMOBY-XOBWRUORSA-N 371.437 2.992 50 1 FFGF COc1ccc2c3c(n(C)c2c1)[C@H]1C[C@H]2C(C=O)=COC[C@@H]2[C@@H](C3)N1C 2356642404 GEEYTZFURFNQAE-SMMRIJLZSA-N 352.434 2.834 50 1 FFGF C=C1C(=O)O[C@@H](/C=C(\C)C=O)[C@@H]1[C@H](/C=C(/C)C(C)=O)OC(=O)/C(C)=C\C 1772621322 AKVBJGXAEANPJM-DVGWHCFMSA-N 360.406 2.643 50 1 FFGF CCCn1c(O)nnc1SC/C(O)=C(\C#N)c1nc2ccccc2[nH]1 101757899 IZISAVHJBRCOKI-RAXLEYEMSA-N 356.411 2.855 50 1 FFGF O=C(Cc1ccc(O)cc1)N/N=C1\C(=O)Nc2c(Cl)ccc(Cl)c21 72182597 FBOXHXLWJRJUJT-UHFFFAOYSA-N 364.188 2.714 50 1 FFGF O=C(N/N=C(COc1ccccc1)\N=C\c1ccncc1)c1ccncc1 6004597 GPXWFTSRQNAXKT-QHICRJRMSA-N 359.389 2.718 50 1 FFGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cnon2)N1 587686520 VNOKRKUWSOYMBT-FUXBKTLASA-N 360.614 2.988 50 1 FFGF OB(O)c1ccnc(-c2cc(-c3ccccc3)cc(-c3ccccn3)n2)c1 221570797 KQKDLNUAOWAIMK-UHFFFAOYSA-N 353.190 2.552 50 1 FFGF N#C/C(=C1\SC(C(N)=O)=C(N)N1c1ccccc1)c1nc2ccccc2[nH]1 5724242 UJFMZQJYXODBPK-XDHOZWIPSA-N 374.429 2.622 50 1 FFGF N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)n1ccc2ccncc21 1857540609 WYQGOXDNVNADGO-LFYBBSHMSA-N 350.290 2.603 50 1 FFGF C#CC=C[C@H](Cl)[C@H](O)[C@@H]1C[C@@H]2O[C@@H]2C[C@@H](Br)[C@H](CC)O1 2356469378 LCMJLOAUBZVHDH-XNOYWBNFSA-N 363.679 2.633 50 1 FFGF C=C(C)[C@H](O)CC[C@]1(C)[C@H](Cl)C[C@H](O)[C@]2(C)[C@@H]3C(=CC[C@H]21)CO[C@H]3O 2356683282 OEHHQEMJHDYXHN-MVPCEKCOSA-N 370.917 2.999 50 1 FFGF O=C(Cn1c(-c2ccccn2)nc2ccccc21)N/N=C\c1cccnc1 38205513 WOLYSBRJLZFNHX-QRVIBDJDSA-N 356.389 2.644 50 1 FFGF COc1cc(/C=N/NC(=O)c2nc(-c3ccc(Cl)cc3)no2)ccc1O 95576810 GCBKBKADIBDGCO-DJKKODMXSA-N 372.768 2.868 50 1 FFGF COc1cccc(C(=O)NCCCSSCCN(C)C)c1OC 618008390 ZQPLQQFANWKIMR-UHFFFAOYSA-N 358.529 2.767 50 1 FFGF COC(=O)[C@]1(CCCCl)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962642436 URCJNGGWQDTHJK-XIKOKIGWSA-N 355.862 2.968 50 1 FFGF CN(NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 95563597 KWHKSLJCISJEMS-UHFFFAOYSA-N 374.313 2.703 50 1 FFGF COC(=O)C(=O)[C@H](Cl)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587499068 QSHAQSITYHPSKF-WMZOPIPTSA-N 350.798 2.639 50 1 FFGF COc1cc([C@@H]2Oc3c(OC)ccc(C=CC=O)c3[C@H]2CO)ccc1O 2356407651 HDZDFHQYGJFWNH-KUHUBIRLSA-N 356.374 2.831 50 1 FFGF N#CC1=C(N)N2C(=O)CSC2=C(C#N)[C@@H]1c1ccc(Br)cc1 45288664 NLJYSAQPMBZOII-CYBMUJFWSA-N 373.235 2.551 50 1 FFGF COC(=O)c1ccc2c(c1C(=O)OC)C(=O)[C@@H](Br)CC2(C)C 40845545 XFEDBXFFZMRELQ-JTQLQIEISA-N 369.211 2.887 50 1 FFGF Cc1cc(C(=O)NN/C=C2\C=CC(=O)C(O)=C2O)c(C)n1-c1ccccc1 13120136 BCSDEUGXTRIHKX-SDNWHVSQSA-N 365.389 2.679 50 3 FFGF O=Cc1cc([C@@]2(CBr)NCCc3ccc(O)cc32)ccc1O 963350256 AOADXLFIASDKJQ-QGZVFWFLSA-N 362.223 2.695 50 1 FFGF CC(=CC[C@H](O)[C@](C)(Br)CCl)[C@H](O)CBr 2356443130 ATTBFMYAZGXNEC-KXUCPTDWSA-N 364.505 2.832 50 1 FFGF CC[C@]1(C(=O)OC(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587789360 CEEPEGXPZSSQNJ-AYVTZFPOSA-N 358.207 2.817 50 1 FFGF Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@@H]([C@](C)(O)CCl)O3 14689054 PGOOUZZLZBIMRI-HNAYVOBHSA-N 359.809 2.691 50 1 FFGF endogenous,in-man NNC(=O)c1cc(-c2cccs2)nn1-c1ccc(Br)cc1 958029552 QYBFXVUATWOWPE-UHFFFAOYSA-N 363.240 2.967 50 1 FFGF COc1ccc(/C=N/NC(=O)Nc2ccc3nsnc3c2)c(OC)c1 822454 MZUVHJHAEQNKHQ-RQZCQDPDSA-N 357.395 2.864 50 3 FFGF COc1ccc2c3c(n(C)c2c1)[C@H]1C[C@@H]2C(C=O)=COC[C@@H]2[C@@H](C3)N1C 2356642402 GEEYTZFURFNQAE-MCYKXBRJSA-N 352.434 2.834 50 1 FFGF C=CCN1N=C[C@@]2(CC(=O)c3ccc(O)c(CCC)c3O2)[C@H](Cl)C1=O 587461944 OLLYJCOARUWBPM-AEFFLSMTSA-N 362.813 2.670 50 1 FFGF Cc1ccc2c(c1)[C@]1(NC[C@@H]3CC(=O)N(C)c4cccc1c43)C(C=O)=CO2 963023658 KJUHWXXTUGBLFZ-FPTDNZKUSA-N 360.413 2.767 50 1 FFGF CCOC(=O)C[C@@H](Br)[C@@]1(C)NCCc2c1c(C(C)C)nn2C 962915942 IHEGMRQXOIKLDM-MLGOLLRUSA-N 372.307 2.621 50 1 FFGF CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)CCl 27313102 VVLFNEQSKHHGEI-DZGCQCFKSA-N 368.861 2.640 50 1 FFGF COc1cccc2c1O[C@H]1C=C(OC[C@](C)(O)CCl)C=C(O)[C@@H]1C2=O 169293098 QWMGLPOWAGDAGL-RLFYNMQTSA-N 366.797 2.601 50 1 FFGF CC(C)C1=C(O)[C@@H]2OO[C@@H]3CC4=C(COC4=O)[C@H]4CCC(=C2[C@@]34C)C1=O 2356353754 CBMVHIJDYZYUER-RWEYRTKBSA-N 358.390 2.706 50 1 FFGF C=C(CCCC(C)=O)[C@@H](C(=O)O)[C@H](CC=O)C(C=O)=CC=CC(C)(C)O 2356465841 JOCVINHFPIDHBY-QZTJIDSGSA-N 364.438 2.660 50 1 FFGF CCCCCCCC(=O)NCCCc1nc2ccc(C(=O)NN)cc2[nH]1 587228152 JPSWKXLVUGYIJA-UHFFFAOYSA-N 359.474 2.576 50 1 FFGF Cc1nc(N2NC(c3ccco3)=C[C@@H]2c2ccccc2)sc1C(=O)NN 958043845 WPMNHJWEEQANJB-CQSZACIVSA-N 367.434 2.755 50 1 FFGF Oc1ccccc1[C@]1(CBr)NCCc2nc3ccccn3c21 962984298 CJGCHVWVSLOEGL-KRWDZBQOSA-N 358.239 2.824 50 1 FFGF COc1cccc2c1O[C@@H]1C=C(OC[C@@](C)(O)CCl)C=C(O)[C@H]1C2=O 64553240 QWMGLPOWAGDAGL-RKVPGOIHSA-N 366.797 2.601 50 1 FFGF COc1cc(C=CC=O)cc2c1O[C@H](c1ccc3c(c1)OCO3)[C@H]2CO 2356444462 WMSOKIAFJYVUKN-HNAYVOBHSA-N 354.358 2.846 50 1 FFGF NNC(=O)c1ccc(OP(=O)(c2ccccc2)c2ccccc2)cc1 68600395 QTHPBWYYIXHMIH-UHFFFAOYSA-N 352.330 2.598 50 1 FFGF biogenic COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)NNc1ccccc1 299840693 YQNQOICFDCEYOP-UHFFFAOYSA-N 364.785 2.614 50 1 FFGF O=C(O)CCCNC(=O)NN=C(Cc1ccccc1)Cc1ccccc1 28643335 DQYMHTCDGDYHCI-UHFFFAOYSA-N 353.422 2.992 50 1 FFGF N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(=O)C=Cc1ccc(O)cc1 2356491209 GZGNYCZACHKBOA-KRWDZBQOSA-N 350.374 2.527 50 1 FFGF CCOC(=O)C/C(C)=N/NC(=O)Cn1c(-c2ccco2)nc2ccccc21 299825716 NCSKLUHROCEWRR-FYJGNVAPSA-N 368.393 2.742 50 1 FFGF NC(=O)N/N=C1\c2ccccc2-c2ccc(OCCN3CCCCC3)cc21 101263037 SKHWKFIZMFDDFI-BSYVCWPDSA-N 364.449 2.952 50 1 FFGF CN(C)CCSSCCNC(=O)c1ccc(C(F)(F)F)nc1 621477568 NTRUHDQRLZRBPH-UHFFFAOYSA-N 353.435 2.773 50 1 FFGF Oc1ccc([C@@H]2Oc3cc(O)c(Cl)c(O)c3[C@H](Cl)[C@H]2O)cc1O 253635930 VCXPPWLVMKLPIT-CFVMTHIKSA-N 359.161 2.937 50 1 FFGF C/C(CC(=O)NC1CCCC1)=N\NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 13555487 YDHRZXWHOKZLQY-VXLYETTFSA-N 366.805 2.803 50 3 FFGF O=C(N/N=C/Nc1ccc(C(=O)O)c(O)c1)c1cccc(C(F)(F)F)c1 72114472 OARBGAZRHKYIAK-UHFFFAOYSA-N 367.283 2.894 50 1 FFGF O=C(CCc1nnc2sc(CCCl)nn12)c1nc2ccccc2[nH]1 95588721 SQUSRNZXEHZNDL-UHFFFAOYSA-N 360.830 2.659 50 1 FFGF Cc1c(OCCBr)ccc2c(=O)nc(C3CCNCC3)oc12 64750208 PPICFXWAYAXIFO-UHFFFAOYSA-N 367.243 2.737 50 1 FFGF COc1cc(C=CC=O)cc(-c2cc(C=CCO)cc(OC)c2O)c1O 2356460877 NFXJIGSOQYQWLV-UHFFFAOYSA-N 356.374 3.000 50 1 FFGF C=CC(=O)NC[C@H](CCl)C(=O)Nc1ccc(OC(F)(F)F)cc1 621477648 RSDUEZCBUUYFSJ-VIFPVBQESA-N 350.724 2.681 50 1 FFGF CC(C)C1=C(O)C(=O)C2=C(C(=O)OC(=O)[C@H]3C(C)(C)CCC[C@]23C)C1=O 85844992 OGRYTGWNPQIVMO-OXJNMPFZSA-N 360.406 2.819 50 1 FFGF biogenic O=C(N/N=C/c1ccc2c(c1)no[n+]2[O-])c1ccc(Cl)cc1Cl 72113481 MVMAAWOCPFLCSB-REZTVBANSA-N 351.149 2.532 50 1 FFGF C[n+]1c(-c2ccc(/C=N/NC(=O)c3ccc(N)cc3)cc2)cn2ccccc21 26831065 MLHBYVUPFVEXIN-ZVHZXABRSA-O 370.436 2.777 50 1 FFGF CC(C)=CCOc1ccc([C@H]2C[C@H]2C(=O)NNC(=O)c2ccncc2)cc1 49069516 NSCFKUUAIJZRHM-RTBURBONSA-N 365.433 2.991 50 1 FFGF Cn1c([C@@H](O)CCC(=O)O)nc2ccc(N(CCCl)CCCl)cc21 299854017 SUWGFEOFPMUTTO-AWEZNQCLSA-N 374.268 2.756 50 1 FFGF COc1ccc(C[C@@H](C)c2nc3ccc(C(=O)NN)cc3[nH]2)cc1OC 587927111 RNQLXRNAXNZVNM-LLVKDONJSA-N 354.410 2.530 50 1 FFGF NNC(=O)/C(=C/c1ccc(Cl)c(Cl)c1)NC(=O)c1ccccc1 5892087 MSMMNDOAZXDPFT-ZROIWOOFSA-N 350.205 2.754 50 1 FFGF COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc1OC 13586146 ZYOYDFWMCSMWSB-LJQANCHMSA-N 351.406 2.988 50 1 FFGF O=C(NCCCl)Nc1ccc(S(=O)(=O)Oc2ccccc2F)cc1 473151815 RFAKFKBCTLYGGQ-UHFFFAOYSA-N 372.805 2.954 50 1 FFGF COc1ccc(OC)c(CC(=O)NCCCSSCCN(C)C)c1 618007746 HERIMDCRTSZMLY-UHFFFAOYSA-N 372.556 2.696 50 1 FFGF Cc1ccnc2c1CCN[C@]2(CBr)c1ccccc1C(=O)O 963069460 MVHSGRXJRNUKEK-QGZVFWFLSA-N 361.239 2.872 50 1 FFGF C#C/C=C\C[C@@H]1O[C@@H]2C[C@H]1O[C@H](CC)[C@@H](Br)C[C@H]2OC(C)=O 238761845 BIUSEKZVPMEEEN-YCHBVSHJSA-N 371.271 2.986 50 1 FFGF CCOC(=O)[C@]1([C@@H](C)Br)CC(=O)c2cc(C)cc(N)c2O1 587374593 PEVHIVILJCZYDA-RFAUZJTJSA-N 356.216 2.628 50 1 FFGF COc1ccc(/C=N/N(C)C(=O)c2ccc(OC)c(OC)c2)cc1OC 95555468 RJGXXNTZSGVLHQ-UDWIEESQSA-N 358.394 2.827 50 1 FFGF CN(C)CCSSCCNC(=O)c1cc(N)cc(C(F)(F)F)c1 618008848 LWHSPZAUUKVBKR-UHFFFAOYSA-N 367.462 2.960 50 1 FFGF CCOC(=O)[C@]1(/C(C#N)=C\N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587513434 SKIMRYSDDDAYCN-JRVPOQSUSA-N 368.433 2.802 50 1 FFGF COc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCCCO3)cc1OC 1772643362 QATOIRKJMPYTPU-UDWIEESQSA-N 356.378 2.629 50 1 FFGF C[C@H](O)CCC[C@H](O)C=C[C@H]1[C@H]2C[C@@H](OO2)[C@@H]1CC=CCCCC(=O)O 2356345215 MTVPUJQVDLAVML-GRUVHVDGSA-N 368.470 2.991 50 1 FFGF CCn1c(C)nc2cc(C(=O)NN/C(C)=C3\C=CC(OC)=CC3=O)ccc21 100432137 ZTBZAFQGCXDNAQ-FOWTUZBSSA-N 366.421 2.542 50 3 FFGF CC(=O)OC[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544621 OOXCZNATERPWCQ-MAUKXSAKSA-N 362.765 2.895 50 1 FFGF N#C/C(=C\C1CC1)S(=O)(=O)NCCc1ccc(OC(F)(F)F)cc1 618017546 NHEUOPQJZOIPFW-NTEUORMPSA-N 360.357 2.865 50 1 FFGF CC(=O)N1CC(=NNC(=O)[C@@H](C)Nc2c(C)cccc2C)c2ccccc21 252618699 LJVBZYDJKQFPJG-OAHLLOKOSA-N 364.449 2.991 50 1 FFGF C/C=C(/C=O)[C@@H]1C[C@H]2c3[nH]c4ccc(O)cc4c3CCN2C=C1C(=O)OC 211239421 MQVIKCNEQLUJFY-URRNLUPCSA-N 366.417 2.995 50 1 FFGF CC1=CC(=O)c2c(ccc3c2O[C@H](CI)C3)C1=O 169350644 NZWFUCPDJYWJLY-VIFPVBQESA-N 354.143 2.750 50 1 FFGF COC(=O)CCO[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 169359077 MLCMYVNIWOSCTQ-AIHVKHJLSA-N 370.442 2.774 50 1 FFGF O=C1Nc2ccc([N+](=O)[O-])cc2C(c2ccccc2)=N[C@@H]1OCCCl 33828957 BCUZYWBXYVLOQW-QGZVFWFLSA-N 359.769 2.966 50 1 FFGF Cc1nc(-c2ccc(NC(=O)CCl)cn2)[nH]c(=O)c1Cc1ccccc1 64527380 IDOAXXIIOYRVNH-UHFFFAOYSA-N 368.824 2.908 50 1 FFGF NNC(=O)c1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1 587005111 NKTJTWVLBKOIGF-UHFFFAOYSA-N 366.606 2.644 50 1 FFGF COC(=O)C[C@@H]1OO[C@@](CCC/C=C/[C@@](C)(OC)[C@H](C)O)(OC)C[C@@H]1C 203525564 MJIUSKCPOCVTRD-LOLWGSRVSA-N 374.474 2.761 50 1 FFGF COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(=O)n(C)c1ccccc21 111968141 ORQCDJGRZADFRF-QGZVFWFLSA-N 359.385 2.765 50 1 FFGF O=C(NNS(=O)(=O)c1ccccc1)c1cc(F)cc(-c2ccccn2)c1 1857584679 ZEVWSPTVXUZVPK-UHFFFAOYSA-N 371.393 2.511 50 1 FFGF C[C@@H]1C(=O)N(C)c2ccc(C(=O)NNc3ccccc3)cc2N1C1CC1 1857755494 IRWPMKSJWLDNDY-CYBMUJFWSA-N 350.422 2.777 50 1 FFGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC=Cn3c1nc(CCl)cc3=O)O2 587375602 NJFZHWLVHVSYQL-SFHVURJKSA-N 357.797 2.608 50 1 FFGF O=C(c1cc([C@]2(CCl)NCCc3ccc(O)cc32)c[nH]1)N1CCCC1 963354706 YRHHGBGJBNIVPE-IBGZPJMESA-N 359.857 2.584 50 1 FFGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](N3CCOCC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 14127914 JJYXDOWRUNSCKN-NQWKWHCYSA-N 353.459 2.527 50 1 FFGF COc1cc[n+](/C(C=C(C#N)C#N)=C(\O)c2ccc(OC)c(OC)c2)cc1 209109572 SDTWYKJPNMYMIV-JZJYNLBNSA-O 364.381 2.857 50 1 FFGF CCOC(=O)C1=C(C)NC(N)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 40864496 PFCJTIRMAHCMMK-CQSZACIVSA-N 351.328 2.923 50 1 FFGF COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)OC2=O)cc1 140971218 ZNUPSSZLFIWTMV-UHFFFAOYSA-N 370.357 2.715 50 1 FFGF CN(C)CCSSCCn1cc(COC(=O)c2ccccc2)nn1 618009496 DUKHPWWHPRKTAF-UHFFFAOYSA-N 366.512 2.578 50 1 FFGF CC(C)(C)C(=O)Nc1cccc(-c2nc3ccc(C(=O)NN)cc3[nH]2)c1 587242327 SLDHFJMQKBAUAY-UHFFFAOYSA-N 351.410 2.818 50 1 FFGF CCOC(=O)c1c(CBr)[nH]c2ccc(S(C)(=O)=O)cc12 587649735 YPTCHTDOLCXKDY-UHFFFAOYSA-N 360.229 2.643 50 1 FFGF Cc1nn(C)cc1[C@@]1(CBr)NCCc2ccc(F)c(C)c21 962088970 FBVPQMRNHJXDMD-MRXNPFEDSA-N 352.251 2.960 50 1 FFGF NCCCCCCNCCSSCCNCCCCCCN 13781548 HWCJBHIDZTXVIO-UHFFFAOYSA-N 350.642 2.585 50 1 FFGF N#CSC[C@@]1(c2ccccc2O)N[C@H](C(=O)O)Cc2cc(F)ccc21 962897812 NKKDKDPNFIPTJQ-MAUKXSAKSA-N 358.394 2.588 50 1 FFGF C=C1CC[C@@H]2O[C@@]2(C)CC[C@H]2[C@H]1C[C@]2(C)[C@@]1(O)C=C[C@](C)(CO)OO1 166781947 JLPHNZDKGQKJNB-ADVLRGOMSA-N 350.455 2.874 50 1 FFGF C=C(CC(=O)c1c(CO)oc2cc(Br)cnc12)C(=O)Cl 587274071 RZBMCJLLVPRHMQ-UHFFFAOYSA-N 358.575 2.977 50 1 FFGF COc1cc2c3c(c1)O[C@]1(C(=O)CCC[C@@H]1Br)[C@@H](C2)C3=O 587418690 UZGNBXOCGLYRGZ-KNHMANMVSA-N 351.196 2.698 50 1 FFGF CN1CCN(CCNC2=Nc3ccccc3/C(=C/C#N)c3ccccc32)CC1 40374947 BPBRPAOTUWIOSA-VXLYETTFSA-N 371.488 2.871 50 1 FFGF CC(=CC[C@H](O)[C@@](C)(Br)CCl)[C@@H](O)CBr 2356443129 ATTBFMYAZGXNEC-GUBZILKMSA-N 364.505 2.832 50 1 FFGF CC1=CC(=O)c2c(ccc3c2O[C@@H](CI)C3)C1=O 169350645 NZWFUCPDJYWJLY-SECBINFHSA-N 354.143 2.750 50 1 FFGF CC(=O)O[C@@]1(C)CC[C@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 38148248 CQFIPESXGGQKLO-DKIMLUQUSA-N 368.451 2.671 50 1 FFGF COc1ccc(/C=N\NC(=O)[C@@H](C)Sc2ccccn2)cc1[N+](=O)[O-] 15961318 BSERZKNESHYTIN-IPHDDYSGSA-N 360.395 2.629 50 1 FFGF CC(C)CN(NC(=O)c1ccc2nc[nH]c2c1)c1nc(C#N)ncc1Cl 58569330 KBZLVKYVJTUCME-UHFFFAOYSA-N 369.816 2.685 50 1 FFGF COc1cc2c3c(c1)O[C@]1(CC=Cn4c1nc(CCl)cc4=O)[C@@H](C2)C3=O 587421301 KZWGMAFFSDFUIP-ORAYPTAESA-N 370.792 2.508 50 1 FFGF COc1cc(C=CC=O)cc2c1O[C@@H](c1ccc3c(c1)OCO3)[C@@H]2CO 2356444460 WMSOKIAFJYVUKN-BEFAXECRSA-N 354.358 2.846 50 1 FFGF C=C1CC[C@H](C(C)C)C=C[C@](C)(O)C[C@@H](O)[C@@H](O)[C@@]2(C)CC[C@H]1OO2 2356465701 FAJGWQQSQDRLJV-GPBSYSOESA-N 354.487 2.897 50 1 FFGF CC1(C)[C@@H](O)C[C@H]2O[C@@]2(C)[C@@]12C[C@@H](Br)[C@](C)(Cl)C[C@@H]2O 238731710 FDSHBAAWEKXEPR-FGMSCQTESA-N 367.711 2.837 50 1 FFGF O=C(NNS(=O)(=O)c1ccccc1F)c1cccc(-c2ccccn2)c1 1857566323 PRTDNKNAAGIWOD-UHFFFAOYSA-N 371.393 2.511 50 1 FFGF CCNC(=S)NNC(=O)c1sc(-c2ccc(Cl)cc2)cc1N 958021754 ANCNNGMQYISGNT-UHFFFAOYSA-N 354.888 2.780 50 1 FFGF CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)CCl 27313107 VVLFNEQSKHHGEI-ZFWWWQNUSA-N 368.861 2.640 50 1 FFGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C(N)=O)cs1)O2 587411332 STXXARKPNAUBQA-INIZCTEOSA-N 350.827 2.837 50 1 FFGF C=C(C)[C@H](O)CC[C@@]1(C)[C@H]2CC=C3CO[C@@H](O)[C@@H]3[C@@]2(C)[C@@H](O)C[C@H]1Cl 2356683284 OEHHQEMJHDYXHN-VAJSKODXSA-N 370.917 2.999 50 1 FFGF C=C(C[C@H](OC(=O)/C(C)=C\C)[C@@H]1C(=C)C(=O)O[C@H]1/C=C(\C)C=O)C(C)=O 1772570705 CSBAXPXMCAOVNJ-SXWLGAASSA-N 360.406 2.643 50 1 FFGF COc1cc(/C=N/NC(=O)c2[nH]nc3c2Cc2cc(F)ccc2-3)ccc1O 1857563663 UZKGJJLVZBCYPU-ZVBGSRNCSA-N 366.352 2.598 50 1 FFGF OB(O)/C=C/COc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 198165929 VIPOQJAHVKQJOC-FARCUNLSSA-N 355.590 2.974 50 1 FFGF Cc1ccc2c(c1)[C@]1(NC[C@H]3CC(=O)N(C)c4cccc1c43)C(C=O)=CO2 963023664 KJUHWXXTUGBLFZ-PEBXRYMYSA-N 360.413 2.767 50 1 FFGF Nc1cccc(CC(=O)N/N=C2\C(=O)Nc3c(Cl)ccc(Cl)c32)c1 72179584 WEPVENNCBSOHPK-UHFFFAOYSA-N 363.204 2.591 50 1 FFGF O=C(NCCCl)Nc1ccc(S(=O)(=O)Oc2ccccc2)cc1 473168216 KYMMWUYTUSOONB-UHFFFAOYSA-N 354.815 2.815 50 1 FFGF O=C(CSc1nnc(-c2ccncc2)o1)N/N=C/c1ccc(F)cc1 103232056 GDCGCEUEBWGNNO-DJKKODMXSA-N 357.370 2.513 50 1 FFGF CC1(C)CCC[C@]2(C)[C@H](CCC(=CC(=O)O)CO)C(C=O)=C[C@H](O)[C@H]12 2356783109 KUYGTNJOUIZLNV-YNVMFWSZSA-N 350.455 2.719 50 1 FFGF CC[C@]1(C(=O)OC(C)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595442 NZELWPHKNYAZDD-KXBFYZLASA-N 356.330 2.592 50 1 FFGF Cc1nnsc1C(=O)NNC(=S)Nc1ccc(Cl)cc1Cl 73166064 GUONDQXUYPINNR-UHFFFAOYSA-N 362.267 2.785 50 1 FFGF COc1ccc([C@@H]2Oc3c(O)cc(/C=C/C=O)cc3[C@H]2CO)cc1OC 45337257 YGQBKZGYLCQCDU-GWKPYITFSA-N 356.374 2.831 50 1 FFGF CN(C)CCSSCCNC(=O)c1cccnc1C(F)(F)F 621477362 IRXIOKSXOZJPCA-UHFFFAOYSA-N 353.435 2.773 50 1 FFGF COc1ccc2c(c1OC)[C@](C)([C@H](Br)C=O)N(C)[C@H](C)C2 962567105 JSISOGYQEIOZIE-ZXIHIIQKSA-N 356.260 2.758 50 1 FFGF Cc1cccc(S(=O)(=O)NNC(=O)c2cc3cc(Cl)ccc3[nH]2)c1 36184824 HONWLRZBYNMVBR-UHFFFAOYSA-N 363.826 2.753 50 1 FFGF CCOC(=O)[C@]1([C@@H](C)Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587415581 VEVZQKJXKJEPKD-IJJSKAQYSA-N 369.211 2.528 50 1 FFGF CCN(c1ccc(-c2csc(/C(C#N)=C(\C)N)n2)cc1)S(C)(=O)=O 587922918 ICBYQNDOXWWGBV-SDNWHVSQSA-N 362.480 2.809 50 1 FFGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(Cn1nnc3ccccc31)O2 587372800 MXZXAFXBKVNHIB-GOSISDBHSA-N 356.813 2.965 50 1 FFGF COc1cccc(OCC(=O)N/N=C(/C)C/C(O)=N\Cc2ccco2)c1 6013933 BHIVMLFUMHLZLU-MOSHPQCFSA-N 359.382 2.706 50 1 FFGF CCOCCOC(=O)/C(C#N)=C(/NCc1ccc(Cl)nc1)SC 103222199 RFIDUZNFLGQMLL-OWBHPGMISA-N 355.847 2.502 50 1 FFGF C/C(=N\NC(N)=O)C1=C(O)[C@@H](c2ccccc2)N(C2CCCCC2)C1=O 102906629 XTSDHFSMTOQJIB-SVZNOHIVSA-N 356.426 2.759 50 1 FFGF O=C1Nc2c(Br)cccc2/C1=N/NC(=O)c1cccc(F)c1 103207713 NEGRIBQCVPMZJI-UHFFFAOYSA-N 362.158 2.674 50 1 FFGF CC[C@@H](C)[C@H](NC(=O)c1ccc(OC)cc1)C(=O)N/N=C/c1ccccc1 45335938 SAESBIPAZSCBTI-JNBMABRISA-N 367.449 2.990 50 1 FFGF N#C/C(=C\N1CCN(C(=O)c2ccco2)C1=S)C(=O)c1ccccc1 40406881 OEMRYFFWEDEBOW-WYMLVPIESA-N 351.387 2.613 50 1 FFGF Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)/N=C/c1cnn2ccc(C#N)cc12 73198318 CRSVRMFKDICNQP-KEBDBYFISA-N 362.349 2.529 50 1 FFGF Cn1ncc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587543150 JOQGHFLNIHNIMY-CRAIPNDOSA-N 371.780 2.617 50 1 FFGF CCOC(=O)[C@@]1([C@@H](C)Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587415582 VEVZQKJXKJEPKD-USXXWEHASA-N 369.211 2.528 50 1 FFGF CC(C)C1=C(O)C(=O)C2=C(C(=O)OC(=O)[C@@H]3C(C)(C)CCC[C@]23C)C1=O 85844997 OGRYTGWNPQIVMO-OXQOHEQNSA-N 360.406 2.819 50 1 FFGF biogenic CN(C)CCSSCCCn1cc(CNCc2ccccc2)nn1 618010018 ODIFSSCALRVXFH-UHFFFAOYSA-N 365.572 2.901 50 1 FFGF NNC(=O)c1ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c2c1 587136395 PIDXMSZTUWWIEU-UHFFFAOYSA-N 367.153 2.874 50 1 FFGF O=C(O)CCCCC(=O)O[C@@]12CCCC[C@H]1[C@@H]1CCCC[C@@]1(O)OO2 169315413 MBHXUUGEWJXIFG-LBTBCDHLSA-N 356.415 2.902 50 1 FFGF O=C(Cn1nnc(/C=C/c2ccccc2)n1)N/N=C/c1ccccc1Cl 1857571515 PRZCSVQWBIMRBR-GZKUGWNMSA-N 366.812 2.647 50 1 FFGF CC(C)c1csc(-c2nnc(SCC(=O)NN)n2-c2ccccc2)n1 103195821 OFYCFLLGTVKJDS-UHFFFAOYSA-N 374.495 2.596 50 1 FFGF CCCCCCCC(=O)NNC(=O)c1c(O)nc2ccc(F)cc2c1O 1772630756 QDWRLTJMHUDROJ-UHFFFAOYSA-N 363.389 2.907 50 1 FFGF O=C(NP(=O)(NN1CCCCC1)NN1CCCCC1)c1ccccc1 64393088 MOOJQPSDEDEUQP-UHFFFAOYSA-N 365.418 2.506 50 1 FFGF C=CCSS/C(CCO)=C(/C)N(C=O)Cc1cnc(C)nc1N 33753930 WNCAVNGLACHSRZ-KAMYIIQDSA-N 354.501 2.507 50 1 FFGF biogenic,in-vitro O=C(CBr)NCCc1nc2cccc(C(F)(F)F)c2[nH]1 586971179 OBIZXEQQLUYRPC-UHFFFAOYSA-N 350.138 2.635 50 1 FFGF COC(=O)c1coc([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587420299 HUJDTEMQMCELIK-KZULUSFZSA-N 362.765 2.957 50 1 FFGF CCCc1c(O)ccc2c1O[C@@]1(C=NN(C(C)C)C(=O)[C@@H]1Cl)CC2=O 587459739 FZFJSXWWZHLXLH-FUHWJXTLSA-N 364.829 2.893 50 1 FFGF C[C@]1(CBr)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962629009 GMEBPKRQZGRTSD-CMPLNLGQSA-N 368.149 2.794 50 1 FFGF Nc1ccnc2[nH]c([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)nc12 587009777 RYXHUZRQIYMONA-AWEZNQCLSA-N 368.828 2.660 50 1 FFGF CCOC(=O)[C@@]1(/C(C#N)=C\N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587513435 SKIMRYSDDDAYCN-ROOORRATSA-N 368.433 2.802 50 1 FFGF CC=C(C)C(=O)O[C@H](C1=C(C)C(=O)O[C@@H]1O)[C@@]1(C)C(C=O)=CCC[C@H]1C 2356544943 JUWNQGFIHXLZHN-WWIODWGFSA-N 362.422 2.618 50 1 FFGF Cc1ccc(C2OOC(c3ccc(C(=O)NCCCO)cc3)OO2)cc1 72175424 JMZGGRRUFPRCKG-UHFFFAOYSA-N 359.378 2.715 50 1 FFGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cnon2)N1 587686130 SQULTEXBRFDKGU-CPFSXVBKSA-N 360.614 2.988 50 1 FFGF COc1cc2c3c(c1)O[C@](C)([C@@H](NC(=O)CCl)C(C)C)[C@@H](C2)C3=O 587419302 CHZJAAKQGCFXQB-IGNZVWTISA-N 351.830 2.581 50 1 FFGF COC(=O)[C@@H]1C[C@]23CC[C@@]14Nc1ccccc1[C@@]41CCN(C=C(C=O)C2)[C@@H]31 653720595 KPKZPYKXSWFRKN-XXGVUKKKSA-N 364.445 2.623 50 1 FFGF O=C(N/N=C/c1ccc(F)cc1)c1ccc(CN2CCC[C@H](O)C2)cc1 1857629779 CIBYXFRJRYQLIC-OZNZCJATSA-N 355.413 2.546 50 1 FFGF CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)C(=O)CCl 27313119 VVLFNEQSKHHGEI-HIFRSBDPSA-N 368.861 2.640 50 1 FFGF COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)c(O)c1 653837931 SZKQRFZGCVDEDH-GIJQJNRQSA-N 357.391 2.784 50 1 FFGF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(/C(C#N)=C/N(C)C)CC2=O 587468873 KQQQTMQKSISVPC-SJFMBGHLSA-N 372.421 2.581 50 1 FFGF C=C(CC(=O)Cl)C(=O)c1c(CO)oc2cc(Br)cnc12 587273614 MTBKBPKKNPBCQB-UHFFFAOYSA-N 358.575 2.977 50 1 FFGF COc1ccc([C@]2(CCl)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cc1 963474606 WVXDKBFRIOJGDY-LPHOPBHVSA-N 361.825 2.791 50 1 FFGF CC(C)c1nn(C)c2c1[C@](CCl)(c1ccc3c(c1)NC(=O)CO3)NCC2 962915343 HMPZIKBHOUUCFA-IBGZPJMESA-N 374.872 2.503 50 1 FFGF CCOC(=O)[C@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c1ccccc1n2C 1857649990 DHRIVAPPNSTJCE-INIZCTEOSA-N 365.311 2.628 50 1 FFGF CCCc1c(O)ccc2c1O[C@](C)([C@@H](Cl)C(=O)C(=O)OCC)CC2=O 587461096 WLDJGQWDCSJMEQ-WMZOPIPTSA-N 368.813 2.808 50 1 FFGF COc1ccc2c(c1OC)[C@](CBr)(C(C)=O)N(C)[C@H](C)C2 962619536 DJVNUDYWBAEQGW-HWPZZCPQSA-N 356.260 2.759 50 1 FFGF Cn1cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])c2ccccc21 13108386 DTCUHNHMKUQLRJ-GRSHGNNSSA-N 352.350 2.616 50 1 FFGF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@](CCl)(c2ncccc2F)N1 963232454 NUWYFFMEUQFJRY-APWZRJJASA-N 371.799 2.850 50 1 FFGF Cc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 17127248 HDRWRVXBXJNAHF-UHFFFAOYSA-N 360.757 2.645 50 3 FFGF COc1cc(/C=C(\C#N)C(N)=O)cc(CSc2ccc(O)cc2)c1O 13833842 MUFCOBQTESUAKV-WUXMJOGZSA-N 356.403 2.791 50 1 FFGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cnc(O)[nH]1 587543144 JLGFMFMQSHAILJ-KSSFIOAISA-N 372.764 2.917 50 1 FFGF Cc1c(O)ccc2c1[C@](CCCCl)(c1ncco1)N[C@H](C(=O)O)C2 963547962 CRPAAESJIAMROV-YVEFUNNKSA-N 350.802 2.550 50 1 FFGF CC(C)(C)OC(=O)N[C@H](CCCCCB(O)O)C(=O)Nc1ccccc1 195262914 FKBWUXUDEOTQEN-OAHLLOKOSA-N 364.251 2.552 50 1 FFGF C[S@@](=O)c1ccc(CO[P@](N)(=O)N(CCCl)CCCl)cc1 5808052 YXGJUDKWFMTARJ-SFTDATJTSA-N 373.242 2.787 50 1 FFGF CC(/C=N/Nc1ccc([N+](=O)[O-])cc1)=N\NC(=O)c1ccc([N+](=O)[O-])cc1 1857757894 CBPKJXVWOXPBTH-ODPUSEOTSA-N 370.325 2.707 50 1 FFGF C=C1C(=O)O[C@H]2[C@@H]1[C@@H](OC(=O)C(C)=CC)CC(=C)[C@@H]1C=C[C@@](C)(OO)[C@H]21 2356443998 GNCLTABIHJGZSJ-CLTKYUOCSA-N 360.406 2.973 50 1 FFGF COc1cc(/C=C/C(=O)OC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O 81121516 XHGXHPOKFPIDQG-NXZHAISVSA-N 370.357 2.911 50 1 FFGF CC(C)(C)OC(=O)NC1(/C=N/NC(=O)CCCCCC(=O)O)CCCC1 95808460 DHEFEDSSQSLFGB-CPNJWEJPSA-N 369.462 2.961 50 1 FFGF Cn1ncc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587543152 JOQGHFLNIHNIMY-QAPCUYQASA-N 371.780 2.617 50 1 FFGF Cc1cc(C(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)n[nH]1 15895054 RHZSKSYYTVYHHQ-NVMNQCDNSA-N 353.338 2.959 50 1 FFGF Cc1nn(CCCl)c(C)c1[C@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21 962896162 JEEZWEMFYOTITP-HOCLYGCPSA-N 351.809 2.566 50 1 FFGF OC[C@H]1[C@@H]2C[C@H](n3cnc4c(NC5CCCC5)ncnc43)[C@H]1C[C@@H]2Cl 103232002 GOTFQZINFSVNOV-YTFOTSKYSA-N 361.877 2.978 50 1 FFGF Nc1ccccc1[C@]1(CCl)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963229285 JUTQBNFPSQUXKM-QUCCMNQESA-N 367.836 2.898 50 1 FFGF CC=C(C=O)[C@H]1C[C@@H]2c3[nH]c4ccc(O)cc4c3CCN2C=C1C(=O)OC 2356546510 MQVIKCNEQLUJFY-DNVCBOLYSA-N 366.417 2.995 50 1 FFGF Cc1cc(C(=O)NNS(=O)(=O)c2ccccc2)cc(-c2ccco2)c1 1857554912 SCVBDHFNRCHUFG-UHFFFAOYSA-N 356.403 2.878 50 1 FFGF O=C(N/N=C/c1ccc(O)c(O)c1O)c1cnc(-c2ccccc2)s1 169701113 SXAXNRYTHIRWJG-UFWORHAWSA-N 355.375 2.691 50 1 FFGF CC(/C=N/Nc1ccc([N+](=O)[O-])cc1)=N\NC(=O)c1ccc2c(c1)OCO2 1857642256 VKICXJLRTVZMMO-ZYCAGONGSA-N 369.337 2.527 50 1 FFGF COc1cc(C=CC=O)cc2c1O[C@@H](c1ccc3c(c1)OCO3)[C@H]2CO 2356444463 WMSOKIAFJYVUKN-KXBFYZLASA-N 354.358 2.846 50 1 FFGF CC(=CC[C@H](O)[C@@](C)(Cl)CBr)[C@@H](O)CBr 2356723424 IUOFNEYPSNEOOA-GUBZILKMSA-N 364.505 2.832 50 1 FFGF CC(=O)C1=C(O)/C(=C(\O)Nc2ccc(Cl)c(Cl)c2)C(=O)OC1=O 169336585 SDBMXLQSPOHUDS-ZRDIBKRKSA-N 358.133 2.659 50 1 FFGF CCOCCOC(=O)/C(C#N)=C(\NCc1ccc(Cl)nc1)C(C)C 36453094 HDYBWDUHDOKCFP-PEZBUJJGSA-N 351.834 2.838 50 1 FFGF Cn1ncc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587543153 JOQGHFLNIHNIMY-YJBOKZPZSA-N 371.780 2.617 50 1 FFGF COc1cc([C@@H]2Oc3c(OC)ccc(C=CC=O)c3[C@@H]2CO)ccc1O 2356407652 HDZDFHQYGJFWNH-LIRRHRJNSA-N 356.374 2.831 50 1 FFGF CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc1 1857773951 QMKCQYYZTHJZIW-SFHVURJKSA-N 372.428 2.823 50 1 FFGF C=C1C(=O)O[C@H]2[C@H]1[C@H](OCC(C)C)C[C@@](C)(OO)[C@@H]1C(=O)C=C(C)[C@H]21 238752751 LEAHFVKYKVNWRT-CQQDWVGSSA-N 350.411 2.539 50 1 FFGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCCCO)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 84757273 KIIOCZLZSNUBRH-YRPRCUQKSA-N 356.459 2.984 50 1 FFGF C/C(CC(=O)Nc1ccccc1C(F)(F)F)=N/NC(=O)c1cnccn1 6562180 SFRAMMHEJHOTTR-RMORIDSASA-N 365.315 2.630 50 1 FFGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)CC(C)C)CC(C=O)=CCC[C@]1(C)O[C@@H]21 2356593462 KXHUVYHYLHPWIP-RFSOPEBBSA-N 362.422 2.509 50 1 FFGF C=CCN1N=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](Cl)C1=O 587499253 LTMZIIGNQQGJHB-MJGOQNOKSA-N 358.825 2.891 50 1 FFGF CC(=O)O[C@@]1(C)CC[C@H]2C[C@H]1OO[C@]2(C)CS(=O)(=O)c1ccccc1 253632837 CQFIPESXGGQKLO-XOYOTBSWSA-N 368.451 2.671 50 1 FFGF CC1(C)CCC[C@]2(C)[C@H](CCC(=CC(=O)O)CO)C(C=O)=C[C@H](O)[C@@H]12 2356783107 KUYGTNJOUIZLNV-NDUPCHFUSA-N 350.455 2.719 50 1 FFGF CCCc1c(O)ccc2c1O[C@]1(C=NN(C(C)C)C(=O)[C@H]1Cl)CC2=O 587459731 FZFJSXWWZHLXLH-AEFFLSMTSA-N 364.829 2.893 50 1 FFGF CC1=Nc2ccccc2/C1=C/NNC(=O)CCC(=O)NCc1ccccc1 103981117 SVNJOLFYIJNVFJ-NBVRZTHBSA-N 362.433 2.851 50 3 FFGF Cc1ccccc1CN1CCN(Cc2oc(CCl)cc(=O)c2O)CC1 96922713 AOTNYCLICLHEFL-UHFFFAOYSA-N 362.857 2.710 50 1 FFGF Cc1c(F)ccc2c1[C@@](CCl)(c1cc(C)n(CC(N)=O)c1C)NCC2 962096773 ZSTQVYSCICEFFV-LJQANCHMSA-N 363.864 2.666 50 1 FFGF O=C(O)c1cccc(-c2ccc(/C=N/NC(=O)c3cccc(CO)c3)o2)c1 473131339 OWHKFYOJXLICPR-SRZZPIQSSA-N 364.357 2.901 50 1 FFGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cnon2)N1 587686135 SQULTEXBRFDKGU-FUXBKTLASA-N 360.614 2.988 50 1 FFGF C[C@H](Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)NN 29470592 WIRSHEWAYCELSP-JTQLQIEISA-N 358.785 2.833 50 1 FFGF N#CC1=C(N)N2C(=O)CSC2=C(C#N)[C@H]1c1ccc(Br)cc1 45288667 NLJYSAQPMBZOII-ZDUSSCGKSA-N 373.235 2.551 50 1 FFGF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(C(=O)NN)ccc3[nH]2)s1 587023722 VHIUVMQALVJSHD-UHFFFAOYSA-N 374.426 2.637 50 1 FFGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)CC(C)C)CC(C=O)=CCC[C@@]1(C)O[C@@H]21 2356593461 KXHUVYHYLHPWIP-LZRWSTQFSA-N 362.422 2.509 50 1 FFGF Cc1ccc2c(c1)[C@@]1(NC[C@@H]3CC(=O)N(C)c4cccc1c43)C(C=O)=CO2 963023669 KJUHWXXTUGBLFZ-RCDICMHDSA-N 360.413 2.767 50 1 FFGF COc1cc(OC)c(-c2cc3cc(C(=O)NN)cc(OC)c3o2)c(OC)c1 1857567976 JWTHRRLXUOFQMM-UHFFFAOYSA-N 372.377 2.738 50 1 FFGF COc1ccc2c(c1)[C@@H](CO)[C@@H](c1cc(O)c(C=CC=O)cc1OC)O2 2356508923 UYQOLTUJESFUSW-OXQOHEQNSA-N 356.374 2.831 50 1 FFGF O=C1[C@@H](Cl)[C@H](c2ccc(Cl)cc2)N1n1cnc2ccccc2c1=O 5838623 LNRZYBWNRWQHSW-GJZGRUSLSA-N 360.200 2.877 50 1 FFGF O=C(N/N=C\c1ccc(F)cc1)c1cc(-c2ccc3c(c2)OCO3)n[nH]1 33340591 IVFBUBVFLGTTPX-UKWGHVSLSA-N 352.325 2.708 50 1 FFGF CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(S(C)(=O)=O)cc1 653829498 MYKHDMFSGIWZDF-MRXNPFEDSA-N 372.446 2.541 50 1 FFGF O=C(N/N=C/c1ccncc1)c1cc2cc(Br)ccc2oc1=O 1857636638 GXYKDGKSFHXFSL-DJKKODMXSA-N 372.178 2.714 50 1 FFGF COc1cc(C(=O)N/N=C\c2coc3ccc(Cl)cc3c2=O)ccc1O 15934457 JBJQLFAMDJRZTD-ZBKNUEDVSA-N 372.764 2.925 50 1 FFGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cnn(C)n2)N1 587684491 KPMCEJMEXFKKNY-RMLUDKJBSA-N 373.657 2.733 50 1 FFGF NNC(=O)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 36518287 ZRUPQGROZUIXAB-UHFFFAOYSA-N 358.781 2.558 50 1 FFGF N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)OCCc1ccccc1 1857595613 PFXDRMQFRBWFKU-RIYZIHGNSA-N 354.318 2.699 50 1 FFGF CC(C)(NC(=O)CCl)c1nc2c(Cl)c(Br)cnc2[nH]1 587009280 ZGKDVWXZLKXGJK-UHFFFAOYSA-N 366.046 2.964 50 1 FFGF COC1=CC=C/C(=C\NNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1=O 13123254 LDJSZNDRFFPWMV-MDZDMXLPSA-N 371.374 2.597 50 3 FFGF aggregator CN1CCC(C2=C(C#N)[C@H](c3cccc4nonc34)c3c[nH]nc3N2)CC1 13975648 GDSXKHNGRWMYAF-INIZCTEOSA-N 361.409 2.623 50 1 FFGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCCCO)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101683723 KIIOCZLZSNUBRH-LWIWOBKBSA-N 356.459 2.984 50 1 FFGF CCOC(=O)[C@]1(C(F)(F)F)C(C#N)=C(N)Oc2[nH]c3ccccc3c21 1857772098 GBEPAYDOEQOHDC-HNNXBMFYSA-N 351.284 2.617 50 1 FFGF COC(=O)C[C@@H]1OO[C@](CCCC=C[C@](C)(OC)[C@H](C)O)(OC)C[C@@H]1C 2356759401 MJIUSKCPOCVTRD-QAGGRKNESA-N 374.474 2.761 50 1 FFGF Cc1nc2sccn2c1C(=O)NNC(=O)c1cccc2ccccc12 653802184 GQLMKANHYXHJGD-UHFFFAOYSA-N 350.403 2.932 50 1 FFGF Cc1c(C(=O)N/N=C/c2ccccc2)nnn1Nc1ccc(Cl)cc1 40395703 XHKXWYHOGRJMHC-YBFXNURJSA-N 354.801 2.879 50 1 FFGF Cc1ccc(S(=O)(=O)c2ccc(C[C@H](N)C(=O)CCl)cc2)cc1 26670397 FEJSYGFQORYRPF-INIZCTEOSA-N 351.855 2.506 50 1 FFGF C=C1C(=O)O[C@@H]2[C@@H]3O[C@]3(C)CC/C=C(/C=O)C[C@@H](OC(=O)CC(C)C)[C@@H]12 85889887 KXHUVYHYLHPWIP-DHBRRURJSA-N 362.422 2.509 50 1 FFGF COc1ccc2c(c1)[C@H](CO)[C@H](c1cc(O)c(C=CC=O)cc1OC)O2 2356508921 UYQOLTUJESFUSW-JXFKEZNVSA-N 356.374 2.831 50 1 FFGF COc1cc2c3c(c1)O[C@]1(C(=O)CCC[C@H]1Br)[C@@H](C2)C3=O 587418689 UZGNBXOCGLYRGZ-KANYHAFZSA-N 351.196 2.698 50 1 FFGF O=C(N/N=C\c1coc2ccc(Cl)cc2c1=O)c1cc(O)cc(O)c1 15894668 DVDHQBQYQQEKRS-GXHLCREISA-N 358.737 2.622 50 1 FFGF COC(=O)C(=O)[C@H](Cl)[C@]1(C)NCCc2c(Cl)cc(Cl)cc21 963124542 QXZNYESCXJXDAJ-GXTWGEPZSA-N 350.629 2.704 50 1 FFGF CCCCCC(=O)O[C@@H]1C2=C(C=O)[C@]34C[C@]3(CC2=CC1(C)C)C(=O)O[C@H]4O 2356720887 MQPOERGLRKKIDH-DWIQEWEKSA-N 374.433 2.596 50 1 FFGF CC[C@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2[C@@H](C=O)/C1=C(\C=O)C(=O)O 238778507 LMDFIBIKBBICGI-ANDXSYDCSA-N 366.417 2.502 50 1 FFGF O[C@@H](CCl)CNc1nc2ccnc(-c3cccc(C(F)(F)F)c3)n2n1 28246032 WCAJZEHADFXYPQ-NSHDSACASA-N 371.750 2.822 50 1 FFGF COC(=O)[C@@H]1[C@@H](OC(=O)c2cccc(N=C=S)c2)C[C@H]2CC[C@H]1N2C 100645143 ZADOIUXREBYRAU-WCVJEAGWSA-N 360.435 2.602 50 1 FFGF C[C@@H](NC(=O)c1ccccc1C(c1ccccc1)c1ccccc1)B(O)O 170139074 FWJRXKORWPGITO-MRXNPFEDSA-N 359.234 2.997 50 1 FFGF CCOC(=O)[C@H](Cl)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541882 DQUHVBDCZXGWOJ-CPUCHLNUSA-N 362.765 2.893 50 1 FFGF C/C(=N/NC(=O)c1ccc(C(=O)N/N=C(\C)c2ccco2)o1)c1ccco1 15994323 NXIIFFNOFFTBRV-UHWBUFEVSA-N 368.349 2.774 50 1 FFGF COC(=O)[C@H](Cl)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587687776 HXBQWLHZMTVLTK-GHGOGRRBSA-N 350.615 2.944 50 1 FFGF CC(C)C1=C(O)[C@@H]2OO[C@@H]3CC4=C(COC4=O)[C@@H]4CCC(=C2[C@@]43C)C1=O 2356353755 CBMVHIJDYZYUER-ZLSUJJLUSA-N 358.390 2.706 50 1 FFGF COC(=O)[C@H](Cl)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544542 OBYYSWXGZWTNMC-OWQGQXMQSA-N 362.765 2.893 50 1 FFGF CCNCCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@]42OO3 43889102 IOGSPFBUSRIKQB-OTCFHACESA-N 355.475 2.821 50 1 FFGF C[C@@]1(Br)C(=O)c2ccccc2S(=O)(=O)[C@@H]1Br 71296369 ZQYYSPRKFNDCEX-VHSXEESVSA-N 368.046 2.531 50 1 FFGF CC[C@@H](C)[C@H](NC(=O)c1ccc(OC)cc1)C(=O)N/N=C/c1ccco1 45338561 MOZZECUZFGFCHZ-MLUWVEIDSA-N 357.410 2.583 50 1 FFGF N[P@@](=O)(OCc1cccc([N+](=O)[O-])c1)N(CCCl)CCCl 64540569 HAPMIMSJMUPOFG-OAQYLSRUSA-N 356.146 2.958 50 1 FFGF O=C(O)C(C(=O)O)C1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 49784347 BAIQSBYWWKSYMH-UHFFFAOYSA-N 366.410 2.789 50 1 FFGF CCOC(=O)C[C@@H](Br)[C@]1(C)NCCc2c1c(C(C)C)nn2C 962915943 IHEGMRQXOIKLDM-WBMJQRKESA-N 372.307 2.621 50 1 FFGF C[C@H](CNCCCCCN)SS[C@H](C)CNCCCCCN 29131515 FUNQQISXPKLFAY-HZPDHXFCSA-N 350.642 2.582 50 1 FFGF CC[C@H](Br)[C@@H]1C[C@@H](Br)[C@H]2C[C@@H](O2)[C@@H](CC=O)O1 2356738807 BQABDHDTPBUHTH-IFGRULIISA-N 370.081 2.827 50 1 FFGF C=C1C[C@H](OC(=O)/C(C)=C\C)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@H]1C=C[C@@]2(C)OO 238771913 GNCLTABIHJGZSJ-HFGPDCRMSA-N 360.406 2.973 50 1 FFGF NCCSSCCNC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 618007600 HLXXKRVLNIOTDI-UHFFFAOYSA-N 367.452 2.925 50 1 FFGF CN(C)S(=O)(=O)c1ccc2nc(/C(C#N)=C/c3ccccc3)[nH]c2c1 587188314 PPXDOYXXVCBQHJ-GXDHUFHOSA-N 352.419 2.877 50 1 FFGF CC[C@H](Br)[C@@H]1C[C@@H](Br)[C@H]2C[C@@H](O2)[C@H](CC=O)O1 2356738808 BQABDHDTPBUHTH-KTWSDMTRSA-N 370.081 2.827 50 1 FFGF O=C(NCCCl)Nc1ccc(S(=O)(=O)Oc2ccc(F)cc2)cc1 473165273 AWOLAYNHOQJJEH-UHFFFAOYSA-N 372.805 2.954 50 1 FFGF CCCc1c(O)ccc2c1O[C@]1(C=NN(CCC)C(=O)[C@H]1Cl)CC2=O 587462774 SQIXPNLIYOYNFK-AEFFLSMTSA-N 364.829 2.894 50 1 FFGF Cn1nncc1[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544132 MUGBEKRFRCFYDM-QAPCUYQASA-N 371.780 2.617 50 1 FFGF O=C(CCCCCCC(=O)N/N=C/c1ccc(O)c2ccccc12)NO 95809356 ACFFAMNTIKPTRJ-DEDYPNTBSA-N 357.410 2.842 50 1 FFGF COc1ccc(/C=N/NC(=O)CCCc2nc(O)c3ccccc3n2)cc1 299856094 HPHBRXRWXPLRGT-FYJGNVAPSA-N 364.405 2.817 50 1 FFGF Cc1ccc(/C=C(\C#N)C(=O)Nn2c(C)nc3ccc(C)cc3c2=O)cc1 84653599 HJKJYABQYVCPNE-GZTJUZNOSA-N 358.401 2.999 50 1 FFGF Cc1c(/C=N/NC(=O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 1633136 ZFTUJVILWGKJFN-CIAFOILYSA-N 368.824 2.902 50 1 FFGF CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@H]2[C@H](C=O)/C1=C(\C=O)C(=O)O 238779151 LMDFIBIKBBICGI-NOUGDVLESA-N 366.417 2.502 50 1 FFGF C=C(C)[C@H](O)CC[C@]1(C)[C@H](Cl)C[C@H](O)[C@]2(C)[C@@H]3C(=CC[C@H]21)CO[C@@H]3O 2356683285 OEHHQEMJHDYXHN-WYQQMFRLSA-N 370.917 2.999 50 1 FFGF CCOc1c(C#Cc2cc(Cl)ccc2OC)cc(C(=O)NN)cc1OC 587899661 HDCNJBLDNCKOTP-UHFFFAOYSA-N 374.824 2.759 50 1 FFGF C[C@@H](O)CCC[C@H](O)/C=C/[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C/C=C\CCCC(=O)O 87528742 MTVPUJQVDLAVML-OQRQNLQMSA-N 368.470 2.991 50 1 FFGF in-vitro CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(/C(C#N)=C\N(C)C)CC2=O 587468861 KQQQTMQKSISVPC-CBUFDYBVSA-N 372.421 2.581 50 1 FFGF O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)[C@H]1CS[C@@H](c2ccc(F)cc2)N1 1857576801 JDRLZTJPIUKHCN-JTVMFMFGSA-N 374.397 2.588 50 1 FFGF CCCCCC(=O)O[C@@H]1C2=C(C=O)[C@]34C[C@@]3(CC2=CC1(C)C)C(=O)O[C@H]4O 2356720889 MQPOERGLRKKIDH-LMQGHGSNSA-N 374.433 2.596 50 1 FFGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C(N)=O)oc1C)[C@@H](C2)C3=O 587416492 AINSVXYFEMVPKC-SGTLLEGYSA-N 361.781 2.577 50 1 FFGF COC(=O)C(=O)[C@@H](Cl)[C@@]1(C)NCCc2c(Cl)cc(Cl)cc21 963124544 QXZNYESCXJXDAJ-OCCSQVGLSA-N 350.629 2.704 50 1 FFGF CC(C)=C(NC(=O)c1ccccc1)C(=O)N/N=C(\C)c1ccccc1O 13124062 MYURVYVETRAIKV-HYARGMPZSA-N 351.406 2.956 50 1 FFGF Cc1cn(CCC(=O)N/N=C/c2ccc3nnccc3n2)c2ccccc12 201719727 PVRCJVUWNUYZOH-WSDLNYQXSA-N 358.405 2.828 50 1 FFGF CCOc1c(/C=N\NC(=O)c2ccncc2)cccc1CN1CCCC1 103223921 XTUPRDWGHAZPMG-HMAPJEAMSA-N 352.438 2.840 50 1 FFGF CN1C(=O)C[C@@H]2CN[C@@](C(F)F)([C@H](Cl)C(=O)C3CC3)c3cccc1c32 963014823 APFIYBCTMQHRNP-QOJFYFMMSA-N 368.811 2.787 50 1 FFGF Cc1c(F)ccc2c1[C@](CCl)(c1cc(C)n(CC(N)=O)c1C)NCC2 962096770 ZSTQVYSCICEFFV-IBGZPJMESA-N 363.864 2.666 50 1 FFGF CCc1ccc(OCC(=O)NN)c(C#Cc2cc(Cl)ccc2OC)c1 587901312 ZAJDTKNGIMSKBR-UHFFFAOYSA-N 358.825 2.680 50 1 FFGF O=C(N/N=C/c1cccc(Br)c1O)c1ccc([N+](=O)[O-])cc1 169376281 NLCDZQSFNYGZRL-LZYBPNLTSA-N 364.155 2.827 50 1 FFGF Cc1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1F 1857580315 DILVLVXPRQTRMP-UHFFFAOYSA-N 358.394 2.911 50 1 FFGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12COC(CCl)=CC2=O 587545235 OLLBHGVZXYFLLE-LPHOPBHVSA-N 372.760 2.815 50 1 FFGF CN(C)c1ccc(/C=N\NC(=O)c2cccc(N3CCCC3=O)c2)cc1 33340931 QDXIUTPUJOXZGN-STZFKDTASA-N 350.422 2.643 50 1 FFGF COc1cc2c3c(c1)O[C@@](CSC#N)(c1ccc(O)c(O)c1)[C@@H](C2)C3=O 587448669 LGDOCVUCVXZGPW-DJJJIMSYSA-N 369.398 2.964 50 1 FFGF COC(=O)[C@@H]1[C@@H](OC(=O)c2ccc(N=C=S)cc2)C[C@H]2CC[C@@H]1N2C 36177535 JZGFOMFCWSMVHI-UGUYLWEFSA-N 360.435 2.602 50 1 FFGF NNC(=O)/C(=C/c1ccc(Cl)cc1Cl)NC(=O)c1ccccc1 5892107 FCBDTZXFBKBSGP-ZSOIEALJSA-N 350.205 2.754 50 1 FFGF O=C(CCCc1nc(O)c2ccccc2n1)N/N=C/c1ccc(O)cc1 299858980 USWDMPTZXYPXHB-UDWIEESQSA-N 350.378 2.514 50 1 FFGF COc1cc2c3c(c1)O[C@@]1(C(=O)CCC[C@H]1Br)[C@@H](C2)C3=O 587418688 UZGNBXOCGLYRGZ-IETSOEAISA-N 351.196 2.698 50 1 FFGF COC(=O)[C@H](Cl)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544544 OBYYSWXGZWTNMC-RPVQJOFSSA-N 362.765 2.893 50 1 FFGF C#CC=C[C@H](Cl)[C@H](O)[C@@H]1C[C@@H]2O[C@@H]2C[C@H](Br)[C@H](CC)O1 2356469376 LCMJLOAUBZVHDH-IAAUBURFSA-N 363.679 2.633 50 1 FFGF CC1(C)CCC[C@]2(C)[C@H](CCC(=CC(=O)O)CO)C(C=O)=C[C@@H](O)[C@@H]12 2356783110 KUYGTNJOUIZLNV-ZTRFORPCSA-N 350.455 2.719 50 1 FFGF NNC(=O)c1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1 586979829 WMLNOMLNKJXHKX-UHFFFAOYSA-N 366.606 2.644 50 1 FFGF CN(C)C(=O)c1ccc2c(c1)[C@](CCl)(c1nc3ccccc3[nH]1)NCC2 962935030 XGVIBLXLGAHDJY-HXUWFJFHSA-N 368.868 2.893 50 1 FFGF CN1C(=O)C[C@@H]2CN[C@](CBr)(c3ccco3)c3cccc1c32 963026000 NAWMOKKBZBAJNL-DIFFPNOSSA-N 361.239 2.971 50 1 FFGF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(/C(C#N)=C/N(C)C)CC2=O 587468868 KQQQTMQKSISVPC-DRUFCSCSSA-N 372.421 2.581 50 1 FFGF C=CCNC(=S)NNC(=O)c1sc(-c2ccc(Cl)cc2)cc1N 958021775 UYXABLCWZJPKSK-UHFFFAOYSA-N 366.899 2.946 50 1 FFGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CNC(=O)CCl)(c1ccccc1)O2 587371107 DAYGMOXGSQOZSF-LJQANCHMSA-N 358.825 2.793 50 1 FFGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2cnn(CCCCCl)c2)N1 962896284 BMLYIJRYYOSNDJ-GOEBONIOSA-N 351.809 2.730 50 1 FFGF CC=C(C=O)[C@@H]1C[C@@H]2c3[nH]c4ccc(O)cc4c3CCN2C=C1C(=O)OC 2356546513 MQVIKCNEQLUJFY-HNAYVOBHSA-N 366.417 2.995 50 1 FFGF CCNCCO[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@@]24OO3 43889096 IOGSPFBUSRIKQB-JDXRWTKOSA-N 355.475 2.821 50 1 FFGF BrC/C=C/c1nc2cc(I)cnc2[nH]1 586973248 HAQODKHFRYHXIJ-OWOJBTEDSA-N 363.984 2.971 50 1 FFGF O=[N+]([O-])c1ccc2c(c1)N[P@](=O)(N(CCCl)CCCl)NC2 140572215 WREBUAIDSYUURU-NRFANRHFSA-N 353.146 2.998 50 1 FFGF C[C@@H]1CC(=O)NN=C1c1ccc(NC(=O)C(C)(C)CBr)cc1 27891694 GDDWHYBBVBCAIJ-SNVBAGLBSA-N 366.259 2.906 50 1 FFGF C/C(=N/NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(C)cc1 28654790 NEFIOUHZQLLHAP-JCMHNJIXSA-N 363.417 2.912 50 1 FFGF CC(C)(NC(=O)CCl)c1nc2cc(C#N)cc(Br)c2[nH]1 587007408 DBILNDMFCFTCSV-UHFFFAOYSA-N 355.623 2.787 50 1 FFGF O=C(CCl)Nc1ccc(CCN2C(=O)C[C@H](c3ccccc3)C2=O)cc1 2033474 KXXYLPCTTKPVOB-QGZVFWFLSA-N 370.836 2.949 50 1 FFGF O=C(CCCCCC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O)NO 95808306 WZBRCRAQSFECNG-CAOOACKPSA-N 362.213 2.605 50 1 FFGF COc1cc2c3c(c1)O[C@]1(CCC[C@H](Br)C1=O)[C@@H](C2)C3=O 587417703 OUCITQGMWQLXRC-XMZIXOGTSA-N 351.196 2.698 50 1 FFGF NC(=O)N1CCc2sccc2[C@@]1(CBr)c1cncs1 962705905 HOXTXKDFLQSLFO-LBPRGKRZSA-N 358.286 2.780 50 1 FFGF CC(=O)O[C@@]1(C)CC[C@@H]2C[C@@H]1OO[C@]2(C)CS(=O)(=O)c1ccccc1 100836770 CQFIPESXGGQKLO-LAVFITLUSA-N 368.451 2.671 50 1 FFGF O=C(NCCCl)Nc1cccc(S(=O)(=O)Oc2ccc(O)cc2)c1 95552078 OVTACEUMKCSRKJ-UHFFFAOYSA-N 370.814 2.520 50 1 FFGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C=C(CCl)OCC2=O 587546999 RTBRJGPVVRZHCB-APWZRJJASA-N 372.760 2.815 50 1 FFGF COc1cc(OC)c2c(c1C(C)=O)OC(C)(C)[C@@H](O)[C@H]2Br 1857637859 ALUMFQDCLSGUTJ-JSGCOSHPSA-N 359.216 2.874 50 1 FFGF CC1(C)C[C@H]([C@@]23CC[C@@](O)(CO2)[C@H](Cl)[C@@H]3O)CC[C@@H]1Br 86024381 XRKNLWCQFNFCIF-RIMRTXSHSA-N 367.711 2.838 50 1 FFGF biogenic O=C(O)CNCCNCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587229387 WSLQFWJNXPTPJJ-UHFFFAOYSA-N 374.335 2.984 50 1 FFGF C=C1[C@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1[C@@H]1C=C(C=O)C[C@@H](O)OO1 238757012 FTAJAXWRGBRFCV-ABUMYXEMSA-N 350.455 2.920 50 1 FFGF CC(=O)OCC(=CCO)CCC=C(CCC=C(C)C=O)COC(C)=O 2356581870 NYCFYGOJSIWKPN-UHFFFAOYSA-N 352.427 2.663 50 1 FFGF NNC(=O)c1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c1 587006877 UJAWAEXCZNIYJD-UHFFFAOYSA-N 370.210 2.849 50 1 FFGF COc1cccc2c1C(=O)c1c(OC)cc(NC(=O)CCl)cc1C2=O 206552131 KMLXBFOOLICOQV-UHFFFAOYSA-N 359.765 2.657 50 1 FFGF COc1ccc[c-](/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1=O 169688712 QFUBSKGGSDCWAR-GIJQJNRQSA-N 370.366 2.661 50 1 FFGF CN(C)CCSSCCNC(=O)c1cc(Cl)c2n[nH]cc2c1 618016748 ASZLHGMBWXKLIX-UHFFFAOYSA-N 358.920 2.889 50 1 FFGF COc1ccc(C(=O)NCCCSSCCN(C)C)c(OC)c1 618008357 YVDKSBNCQSMFNY-UHFFFAOYSA-N 358.529 2.767 50 1 FFGF COc1cc2c3c(c1)O[C@@]1(C(=O)CCC[C@@H]1Br)[C@@H](C2)C3=O 587418692 UZGNBXOCGLYRGZ-PKWAYOAASA-N 351.196 2.698 50 1 FFGF Cc1cccc(CN2CCN(Cc3oc(CCl)cc(=O)c3O)CC2)c1 96922714 WHBSYZZURFEYJD-UHFFFAOYSA-N 362.857 2.710 50 1 FFGF CCOC(=O)N/N=C1\C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21 95593708 AQCSBWJFEVZERG-DQPIFXJKSA-N 358.350 2.777 50 1 FFGF NN(C(=O)c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccsc1 28337619 JXUYUKJFXZAPLV-UHFFFAOYSA-N 351.236 2.760 50 1 FFGF CCCN1CC[C@@]2(OC)OC(N)=C(C#N)[C@@H](c3ccc(OC)cc3)[C@@H]2C1 299836471 NHYNINZLUVYTOE-NLWGTHIKSA-N 357.454 2.577 50 1 FFGF CCOC(=O)CO[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 169340182 VADVVZYGPHZHGC-FDLKZVMHSA-N 370.442 2.774 50 1 FFGF CCOC1=C/C(=C2/C=C(c3ccc(OC)cc3)NC(N)=C2C#N)C=CC1=O 34222178 ZYBQKRXVXFTJID-PEZBUJJGSA-N 361.401 2.689 50 3 FFGF O=C[C@@H](Cl)[C@H]1N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962921615 PCULBMFZNBRSEC-IKGGRYGDSA-N 361.781 2.631 50 1 FFGF COc1ccc(C(=O)N/N=C(C)/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1 1857653198 PWVAGJYDHPALLS-GDAWTGGTSA-N 355.354 2.807 50 1 FFGF C[C@H](O[Si](C)(C)C)[C@@H]1C=C[C@@H](C)n2c(=O)n(-c3ccccc3)c(=O)n21 195493326 AJRYFWHAPFUXFO-YCPHGPKFSA-N 359.502 2.713 50 1 FFGF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCC(=O)NN 587859528 YHHKOZICBCLXTE-UHFFFAOYSA-N 371.224 2.666 50 1 FFGF Cc1nn(Cc2ccc(C(=O)N/N=C/c3ccncc3)o2)c(C)c1Cl 1002088 IWJTULHJHPBONV-AWQFTUOYSA-N 357.801 2.954 50 3 FFGF COc1cc2c3c(c1)O[C@@](C)([C@H](NC(=O)CCl)C(C)C)[C@@H](C2)C3=O 587419329 CHZJAAKQGCFXQB-JBBXEZCESA-N 351.830 2.581 50 1 FFGF C/C(=N\NC(=O)/C(C#N)=C/N(C)C)c1cc2c(ccc3ccccc32)oc1=O 103291528 IKVXMQYEUNUNDR-SNVSYNBVSA-N 374.400 2.755 50 1 FFGF CC1(C)C[C@H]([C@]23CC[C@](O)(CO2)[C@H](Cl)[C@H]3O)CC[C@@H]1Br 139550451 XRKNLWCQFNFCIF-GFCMYALRSA-N 367.711 2.838 50 1 FFGF COc1cc(/C=N/NC(=O)[C@H](OC)c2ccc3c(c2)OCCO3)ccc1C 84672143 VAIAMRIXHWGPDE-MRUVXERFSA-N 370.405 2.613 50 1 FFGF CC1(C)[C@H]2CC[C@]1(C)[C@@H](OCCC/N=C(\N)CSS(=O)(=O)O)C2 31723398 ZSWMGXUMVHGEJK-SLEUVZQESA-N 364.533 2.501 50 1 FFGF N#C/C(=C\c1cccc(Br)n1)C(=O)NCc1cccc(N)c1 73162264 VDMGFULTLWDGCZ-XYOKQWHBSA-N 357.211 2.650 50 1 FFGF CC(C)(C)Oc1cc(-c2nc3ccc(C(=O)NN)cc3[nH]2)c(N)cc1F 587135937 IRIBDWWNRJVFLH-UHFFFAOYSA-N 357.389 2.732 50 1 FFGF CCCc1c(O)ccc2c1O[C@@](CBr)(C(=O)OC)CC2=O 587455531 COOZIKAHRNZGOT-HNNXBMFYSA-N 357.200 2.617 50 1 FFGF Cc1ccccc1-n1nc(C)c2c(C(=O)NN)cc(-c3ccncc3)nc21 3345132 WKFUIGOOTWEGST-UHFFFAOYSA-N 358.405 2.703 50 3 FFGF O=C(CCCCCC(=O)N/N=C/c1ccc(-c2ccncc2)cc1)NO 209735758 DZJZQNLBLZSWDQ-KGENOOAVSA-N 354.410 2.655 50 1 FFGF CC(C)c1nn(C)c2c1[C@@](CCl)(c1ccc3c(c1)NC(=O)CO3)NCC2 962915345 HMPZIKBHOUUCFA-LJQANCHMSA-N 374.872 2.503 50 1 FFGF O=[N+]([O-])C1=C2N(Cc3ccc(Cl)nc3)CCN2[C@H](OCCCl)CC1 150055313 YMPMETVSQIENGB-CQSZACIVSA-N 373.240 2.674 50 1 FFGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=C(CCl)OCC2=O 587547001 RTBRJGPVVRZHCB-QFBILLFUSA-N 372.760 2.815 50 1 FFGF COc1cc(/C=N/NC(=O)c2nc(-c3ccc(C)cc3)no2)ccc1O 95579537 VVPMRLHWZRLSQV-VXLYETTFSA-N 352.350 2.523 50 1 FFGF COC(=O)[C@H](Cl)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587690131 ZIIYAVKJKOOJNG-JPWUCKPDSA-N 350.615 2.944 50 1 FFGF COc1cc2c3c(c1)O[C@](C)([C@H](NC(=O)CCl)C(C)C)[C@@H](C2)C3=O 587419331 CHZJAAKQGCFXQB-RZAIGCCYSA-N 351.830 2.581 50 1 FFGF Cc1ccccc1S(=O)(=O)NNC(=O)c1cc2cc(Cl)ccc2[nH]1 36184826 VIWWOGDYLRQLOO-UHFFFAOYSA-N 363.826 2.753 50 1 FFGF O=C(NNC(=O)[C@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)c1ccncc1 49070834 ZSOXEPTXZVLNSA-KBPBESRZSA-N 365.311 2.545 50 1 FFGF COC(C)(C)[C@H](Br)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 586971398 RPWFFFQXOUPPBR-GFCCVEGCSA-N 354.204 2.755 50 1 FFGF COc1ccc(/C=N/NC(=O)CCn2cnc3c(C)cccc32)cc1OC 115598215 XGENBVFJADUSIT-WSDLNYQXSA-N 366.421 2.902 50 1 FFGF O[C@@H]1[C@@H](CCl)O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H]1O 32139440 LUQRQRRMKSOTHM-GWOFURMSSA-N 372.035 2.855 50 1 FFGF CCn1cc(C(=O)N/N=C/c2ccccc2F)c(=O)c2ccc(C)nc21 103209040 NUVKNZJEMIBHCX-UFFVCSGVSA-N 352.369 2.628 50 1 FFGF CC(=CC[C@H](O)[C@](C)(Cl)CBr)[C@H](O)CBr 2356723425 IUOFNEYPSNEOOA-KXUCPTDWSA-N 364.505 2.832 50 1 FFGF COc1ccc(C)cc1NCCCc1nc2ccc(C(=O)NN)cc2[nH]1 587228991 LESHSBKTVTYBCW-UHFFFAOYSA-N 353.426 2.528 50 1 FFGF CC[C@@H]1C[C@]2(CC)OC(=CC(=O)OC)[C@]3(CC)OO[C@H]([C@H](C)O)[C@@H]1[C@@H]23 2356732933 HXBJHHAGBLMCAA-PGYOCNLOSA-N 354.443 2.745 50 1 FFGF Cc1ccc(S(=O)(=O)c2c(C(=O)NN)[nH]c3ccc(Cl)cc23)cc1 3654257 XZJNWUDCMFKWLL-UHFFFAOYSA-N 363.826 2.566 50 1 FFGF COc1ccc(/C=N/N(C(=O)c2ccc(N)cc2)C(=O)c2cccnc2)cc1 66252089 OAWKUVDQUCIDNU-ZMOGYAJESA-N 374.400 2.989 50 1 FFGF O=Cc1cc([C@]2(CBr)NCCc3ccc(O)cc32)ccc1O 963350254 AOADXLFIASDKJQ-KRWDZBQOSA-N 362.223 2.695 50 1 FFGF COc1ccc(/C=N/NC(=O)C(=O)c2c[nH]c3ccccc23)cc1OC 1857635850 LMWUPUNCQGYCRG-UFFVCSGVSA-N 351.362 2.518 50 1 FFGF Oc1ccc([C@H]2Oc3cc(O)c(Cl)c(O)c3[C@H](Cl)[C@@H]2O)cc1O 29338068 VCXPPWLVMKLPIT-AEGPPILISA-N 359.161 2.937 50 1 FFGF CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2[C@H](C=O)C1=C(C=O)C(=O)O 2356504948 LMDFIBIKBBICGI-URFZZILJSA-N 366.417 2.502 50 1 FFGF C=C(C)[C@H](O)CC[C@]1(C)[C@@H](Cl)C[C@H](O)[C@]2(C)[C@@H]3C(=CC[C@@H]12)CO[C@H]3O 238774460 OEHHQEMJHDYXHN-PHBLJLLGSA-N 370.917 2.999 50 1 FFGF CCOC(=O)C[C@@]1(CBr)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587414490 MMECTGSHNRYKSL-BZNIZROVSA-N 369.211 2.530 50 1 FFGF COc1ccc2c(c1OC)[C@](C)([C@H](Br)C=O)N(C)[C@@H](C)C2 962567102 JSISOGYQEIOZIE-WNMQOVRZSA-N 356.260 2.758 50 1 FFGF COc1cc(OC)c2c(c1C(C)=O)OC(C)(C)[C@@H](O)[C@@H]2Br 1857637860 ALUMFQDCLSGUTJ-OCCSQVGLSA-N 359.216 2.874 50 1 FFGF CCCCNC(=O)NNC(=O)c1nc(-c2ccc(C(C)(C)C)cc2)no1 40878893 IMKRMAMBFDAPIG-UHFFFAOYSA-N 359.430 2.778 50 1 FFGF CCOC(=O)[C@@]1([C@@H](C)Br)CC(=O)c2cc(C)cc(N)c2O1 587374591 PEVHIVILJCZYDA-PSLIRLAXSA-N 356.216 2.628 50 1 FFGF C=C(C=O)[C@@H]1CC2=C([C@@H](OC(C)=O)C1)[C@]1(CCCC(C)(C)C1=O)COC2=O 2356602529 CIFIZNMSNSLKRM-ZJTDPSCFSA-N 374.433 2.702 50 1 FFGF O=C(O)CCCCC(=O)O[C@]12CCCC[C@@H]1[C@@H]1CCCC[C@@]1(O)OO2 169315411 MBHXUUGEWJXIFG-JFTQMJAMSA-N 356.415 2.902 50 1 FFGF O=C(NNC(=S)Nc1ccc(F)cc1)c1cc2cc(Cl)cnc2[nH]1 1857578987 GWDYLXGGBUUOEK-UHFFFAOYSA-N 363.805 2.987 50 1 FFGF CCOCCOC(=O)/C(C#N)=C(\NCc1cnc(Cl)s1)C(C)C 103220951 KARPCFDOBUYODZ-SEYXRHQNSA-N 357.863 2.899 50 1 FFGF COc1cc(C(=O)NCCSSCCN(C)C)nc2ccccc12 618007839 KHDVUVCKDYVNIL-UHFFFAOYSA-N 365.524 2.916 50 1 FFGF Nc1ccccc1[C@@]1(CCl)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963229281 JUTQBNFPSQUXKM-AZUAARDMSA-N 367.836 2.898 50 1 FFGF Cc1oc(C(=O)O)cc1[C@]1(CCl)NC[C@H]2CC(=O)N(C)c3cccc1c32 963037580 VQOUZZXZFDDKHB-NSPYISDASA-N 374.824 2.822 50 1 FFGF COc1ccc2c3c(n(C)c2c1)[C@H]1C[C@@H]2C(C=O)=COC[C@H]2[C@@H](C3)N1C 2356642403 GEEYTZFURFNQAE-RARDXLECSA-N 352.434 2.834 50 1 FFGF COc1cc(/C=C\C=O)cc2c1O[C@H](c1ccc3c(c1)OCO3)[C@H]2CO 238789452 WMSOKIAFJYVUKN-JLDDFQMGSA-N 354.358 2.846 50 1 FFGF COC(=O)C[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541295 ARUXVQSJMPYHOI-CRAIPNDOSA-N 362.765 2.895 50 1 FFGF Cc1cc(N)c2c(c1)C(=O)C[C@](CNC(=O)CCl)(c1cccs1)O2 587413824 PKDHYWRJSSCYSN-KRWDZBQOSA-N 364.854 2.854 50 1 FFGF Cn1nncc1[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544128 MUGBEKRFRCFYDM-CRAIPNDOSA-N 371.780 2.617 50 1 FFGF CC[C@H](Br)C(=O)Nc1ccc(C2=NNC(=O)C[C@@H]2C)cc1 27890844 JVYOZQDPPFGVCU-CABZTGNLSA-N 352.232 2.659 50 1 FFGF C=C(CCCC(C)=O)[C@H](C(=O)O)[C@H](CC=O)C(C=O)=CC=CC(C)(C)O 2356465840 JOCVINHFPIDHBY-MSOLQXFVSA-N 364.438 2.660 50 1 FFGF O=C(N/N=C/c1ccc(-c2cccs2)s1)c1nnc(O)c2[nH]ncc12 1772600427 JOONRGOGXVLVQY-OMCISZLKSA-N 370.419 2.612 50 1 FFGF COc1cc(/C=C/C(=O)N/N=C/c2ccccc2O)cc(OC)c1OC 84724101 GKQOPFVJRIHQNW-UORBOEOWSA-N 356.378 2.582 50 1 FFGF CN(C)CCSSCCNC(=O)c1ncccc1Br 618008301 DRDQLLVMXAMZNZ-UHFFFAOYSA-N 364.334 2.517 50 1 FFGF C/C(=N/NC(=O)c1cc2ccccc2cc1O)c1ccc(O)c(C(N)=O)c1 39774446 YAAMBAQVWJVZDN-JJFYIABZSA-N 363.373 2.504 50 1 FFGF CCn1cc(C(=O)N/N=C/c2ccc(F)cc2)c(=O)c2ccc(C)nc21 103209043 JNDVXDJIDABGIQ-UFFVCSGVSA-N 352.369 2.628 50 1 FFGF CC(=O)N1C/C(=N/NC(=O)[C@H](C)Nc2c(C)cccc2C)c2ccccc21 5390603 LJVBZYDJKQFPJG-ACNSNUFOSA-N 364.449 2.991 50 1 FFGF Nn1c(S)nnc1-c1sc(NC(=O)CCl)cc1-c1ccccc1 28826975 QZTJCAGUOSLOOZ-UHFFFAOYSA-N 365.871 2.853 50 1 FFGF CN(C)CCSSCCC(=O)Nc1cc(C(N)=O)ccc1Cl 618007991 VVXIEBGWMMNBFE-UHFFFAOYSA-N 361.920 2.711 50 1 FFGF N#CC1=C[C@H]2CN(Cc3ccccc3)[C@@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]21 169300718 MPBVULAEDBTSOF-KCLUMXDGSA-N 369.424 2.756 50 1 FFGF CN(C)/N=N/c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1 1621577 RUCGNYIKNLXDNS-FOCLMDBBSA-N 353.275 2.715 50 1 FFGF O=C(CBr)NCCc1nc2cc(Cl)cc(Cl)c2[nH]1 586971849 ZWIBLOCQNLKSAQ-UHFFFAOYSA-N 351.031 2.923 50 1 FFGF COC(=O)[C@@H]1[C@@H](OC(=O)c2cccc(N=C=S)c2)C[C@H]2CC[C@@H]1N2C 36177539 ZADOIUXREBYRAU-UGUYLWEFSA-N 360.435 2.602 50 1 FFGF CC[C@@H]1C[C@]2(CC)OC(=CC(=O)OC)[C@]3(CC)OO[C@H]([C@H](C)O)[C@H]1[C@H]23 2356732934 HXBJHHAGBLMCAA-STOZAVJHSA-N 354.443 2.745 50 1 FFGF CCOC(=O)c1cc(OCC)n(-c2ccnc(CCl)n2)c1OCC 587941965 ZZAPPHIZYKINDL-UHFFFAOYSA-N 353.806 2.980 50 1 FFGF COC(=O)[C@H](Cl)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587690132 ZIIYAVKJKOOJNG-KKIHLJRUSA-N 350.615 2.944 50 1 FFGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cnc(O)[nH]1 587543142 JLGFMFMQSHAILJ-KBXCAEBGSA-N 372.764 2.917 50 1 FFGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)CC(C)C)CC(C=O)=CCC[C@@]1(C)O[C@H]21 2356593460 KXHUVYHYLHPWIP-DRWJQLDWSA-N 362.422 2.509 50 1 FFGF COC(=O)[C@H]1[C@@H](OC(=O)c2ccc(N=C=S)cc2)C[C@H]2CC[C@H]1N2C 100645037 JZGFOMFCWSMVHI-LVQVYYBASA-N 360.435 2.602 50 1 FFGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cn(C)nc1C)O2 587371396 DGNHXTBQSXUQOB-INIZCTEOSA-N 364.243 2.875 50 1 FFGF COc1ccc(N[C@@H](C)C(=O)NN/C=C2\C(=O)C=Cc3ccccc32)cc1 12471110 BBZZRGDITXQSAG-QIQQCEGHSA-N 363.417 2.753 50 3 FFGF COc1ccc(/C=N\NC(=O)[C@H](C)Sc2ccccn2)cc1[N+](=O)[O-] 60230841 BSERZKNESHYTIN-TZQXVGBESA-N 360.395 2.629 50 1 FFGF C[C@@H](CNCCCCCN)SS[C@H](C)CNCCCCCN 29131512 FUNQQISXPKLFAY-IYBDPMFKSA-N 350.642 2.582 50 1 FFGF C[C@@H](C(=O)N/N=C1\C(=O)Nc2ccc(O)c(Cl)c21)c1ccc(F)cc1 72181719 ZMBWRXCYUUXUPO-MRVPVSSYSA-N 361.760 2.761 50 1 FFGF CC[C@H]1CN2CCc3c([nH]c4cccc(OC)c34)C2=C2OC(=O)C(C=O)=C21 14594498 WTWCPWQXRBJBIQ-NSHDSACASA-N 364.401 2.795 50 1 FFGF biogenic CC[C@]1(C(=O)OC(C)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595439 NZELWPHKNYAZDD-BEFAXECRSA-N 356.330 2.592 50 1 FFGF CCCOc1cc(C)c(F)c(C(=O)NNS(=O)(=O)c2ccccc2)c1 1857604747 GOFZTZBCDBZRIA-UHFFFAOYSA-N 366.414 2.546 50 1 FFGF CO[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)O[C@@H](C)/C1=C/CN1CCNCC1 194851301 KEWGODSOAXYAAA-WBIQVCAMSA-N 370.610 2.990 50 1 FFGF O=C(CBr)NCCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586970820 HKMYMAVQZZLHSP-UHFFFAOYSA-N 368.128 2.774 50 1 FFGF CCCc1c(O)ccc2c1O[C@](C)([C@H](Cl)C(=O)C(=O)OCC)CC2=O 587461093 WLDJGQWDCSJMEQ-AEFFLSMTSA-N 368.813 2.808 50 1 FFGF COc1ccc(C2=C[C]3c4cc5c(cc4CCN3C(N)=C2C#N)OCO5)cc1 2356862633 BQACAPXJHYLZJF-UHFFFAOYSA-N 372.404 2.953 50 1 FFGF O=C(N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 33900409 JBZDQRYAZUFBTL-NVMNQCDNSA-N 361.741 2.783 50 1 FFGF CC(C)=CCOc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)c2ccncc2)cc1 49069514 NSCFKUUAIJZRHM-RBUKOAKNSA-N 365.433 2.991 50 1 FFGF O=C(CBr)NCCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586971226 ORZUFLGYQBNWPM-UHFFFAOYSA-N 368.128 2.774 50 1 FFGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H]([C@H]3C=CC(=O)O3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103105428 ZLWLGBYIVASLOM-FJFPKVQVSA-N 350.411 2.719 50 1 FFGF COc1cc(OC)cc(-c2cn(CCSSCCN(C)C)nn2)c1 618009472 DRJZQASMNZHRGS-UHFFFAOYSA-N 368.528 2.905 50 1 FFGF O=CN1CCc2cc([C@]3(CCl)NCCc4c(C(=O)O)cccc43)ccc21 963120324 GMKJDYCRLJHYDB-FQEVSTJZSA-N 370.836 2.532 50 1 FFGF CN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1-c1ccccc1 1857574653 PVKKNPBCIKTBNJ-UHFFFAOYSA-N 352.843 2.781 50 1 FFGF O=C(CNc1cccc(C(=O)Nc2ccccc2)c1)N/N=C/c1ccncc1 34893203 XHFJYOGNWBJZAX-ZVHZXABRSA-N 373.416 2.896 50 1 FFGF CCCc1c(O)ccc2c1O[C@@]1(C=NN(CCC)C(=O)[C@H]1Cl)CC2=O 587462776 SQIXPNLIYOYNFK-SJLPKXTDSA-N 364.829 2.894 50 1 FFGF O=c1cc(CCl)oc(CN2CCN(c3ccccc3F)CC2)c1O 96922706 LBLBTFGKNOSXQT-UHFFFAOYSA-N 352.793 2.546 50 1 FFGF Cn1ncc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587543151 JOQGHFLNIHNIMY-MAUKXSAKSA-N 371.780 2.617 50 1 FFGF CN1CCC(C2=C(C#N)[C@@H](c3cccc4nonc34)c3c[nH]nc3N2)CC1 33983148 GDSXKHNGRWMYAF-MRXNPFEDSA-N 361.409 2.623 50 1 FFGF N[P@@](=O)(OCc1ccc([N+](=O)[O-])cc1)N(CCCl)CCCl 27526760 KHWBOTPHMVANOX-OAQYLSRUSA-N 356.146 2.958 50 1 FFGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cnon2)N1 587686523 VNOKRKUWSOYMBT-WPPNPWJKSA-N 360.614 2.988 50 1 FFGF COc1ccc(C2=C(c3ccc(OC)c(OC)c3)C(=O)OC2=O)cc1OC 43919881 BVBPNZGHDANZJT-UHFFFAOYSA-N 370.357 2.715 50 1 FFGF COc1cc(OC)cc(C(=O)NCCCSSCCN(C)C)c1 618009334 VOSHOZGYFBFLAE-UHFFFAOYSA-N 358.529 2.767 50 1 FFGF Cc1cccc(C)c1NC(=O)N/N=C/c1ccc(NS(C)(=O)=O)cc1 149716790 BMIDEKLJBBDUPM-WOJGMQOQSA-N 360.439 2.831 50 1 FFGF COC(=O)[C@H]1[C@@H](OC(=O)c2cccc(N=C=S)c2)C[C@H]2CC[C@@H]1N2C 87613298 ZADOIUXREBYRAU-FXUDXRNXSA-N 360.435 2.602 50 1 FFGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cnon2)N1 587686522 VNOKRKUWSOYMBT-UHLUBPPHSA-N 360.614 2.988 50 1 FFGF CCOC(=O)[C@]1(/C(C#N)=C/N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587513438 SKIMRYSDDDAYCN-UACNQURRSA-N 368.433 2.802 50 1 FFGF C=CCN1N=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](Cl)C1=O 587499258 LTMZIIGNQQGJHB-PKOBYXMFSA-N 358.825 2.891 50 1 FFGF CC(=O)Nc1cccc(C(=O)NCCCSSCCN(C)C)c1 618008364 YYGBESFWYAIWFC-UHFFFAOYSA-N 355.529 2.708 50 1 FFGF COc1ccc(Cl)cc1C#Cc1cc(C(=O)NN)oc1Br 587912366 MPIBHNJIWOBHPF-UHFFFAOYSA-N 369.602 2.707 50 1 FFGF COc1ccc2c(c1)[C@H](CO)[C@@H](c1cc(O)c(C=CC=O)cc1OC)O2 2356508922 UYQOLTUJESFUSW-OXJNMPFZSA-N 356.374 2.831 50 1 FFGF NCCSSCCCNC(=O)c1cc2cccc(O)c2cc1O 618008043 WZAPNEJHWJLDKB-UHFFFAOYSA-N 352.481 2.711 50 1 FFGF CC(=O)O[C@]1(C)CC[C@H]2C[C@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 253632834 CQFIPESXGGQKLO-HPBDAGMYSA-N 368.451 2.671 50 1 FFGF COc1cc2c3c(c1)O[C@@](CBr)(c1cnccn1)[C@@H](C2)C3=O 587414064 RLJVNWHGJRITIB-MEDUHNTESA-N 361.195 2.523 50 1 FFGF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@](CCl)(c2ncccc2F)N1 963232459 NUWYFFMEUQFJRY-VQIMIIECSA-N 371.799 2.850 50 1 FFGF COc1ccc(OC)c(/C=C/C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1 103195777 TUJCUHAUSYAMOX-VNOMIQDESA-N 355.350 2.776 50 1 FFGF CC=C(C)C(=O)O[C@@H]1C[C@H](O)C2=CC(=O)C(C(C)(C)OO)=C[C@]2(C)[C@@H]1C 2356649595 QYBOEYZNFHEAHE-RXDRHKEWSA-N 364.438 2.975 50 1 FFGF COc1cccc(/C=N/NC(=O)Cc2cc(=O)oc3ccc(C)cc23)c1 40860362 QRMGKQRRVCJGOV-CIAFOILYSA-N 350.374 2.803 50 1 FFGF CC(=O)OC[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544623 OOXCZNATERPWCQ-QAPCUYQASA-N 362.765 2.895 50 1 FFGF COC(=O)CCCCCCC(=O)N/N=C/c1ccc(OC)c(OC)c1 95808700 DKMATHAUISDSMF-CPNJWEJPSA-N 350.415 2.668 50 1 FFGF O=C(CCl)N[C@H](Cc1ccco1)C(=O)Nc1nc2ccccc2s1 38267327 PYRCBMGUXBRNTB-GFCCVEGCSA-N 363.826 2.794 50 1 FFGF N#C/C(=C(/N)c1cc(O)c(O)c([N+](=O)[O-])c1)c1nc2ccccc2s1 1857539925 DVVCOGBNACDDAP-ZROIWOOFSA-N 354.347 2.966 50 1 FFGF C=CC(=O)NC[C@@H](CCl)C(=O)Nc1ccc(OC(F)(F)F)cc1 621477647 RSDUEZCBUUYFSJ-SECBINFHSA-N 350.724 2.681 50 1 FFGF O=C(Cc1cccc2c1CCCC2)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 222300866 PPRWAMNHRPYFKJ-UDWIEESQSA-N 353.378 2.872 50 1 FFGF Oc1nc(O)c2ccc(-c3ccccc3OCCBr)nc2n1 587365629 FWHMNQUMYZRTDE-UHFFFAOYSA-N 362.183 2.877 50 1 FFGF CN1CCc2cnn(C)c2[C@@]1(CCl)[C@H]1CCCN1C(=O)OC(C)(C)C 963955245 OEVWHMNJJYYDPE-RDTXWAMCSA-N 368.909 2.742 50 1 FFGF O=C(NO)c1cccc(C(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)c1 95809317 KTYAMWHKHMHBFH-CNHKJKLMSA-N 368.176 2.582 50 1 FFGF O=C(NNC(=S)N=c1c2ccccc2[nH]c2ccccc12)c1ccncc1 95576427 YMISHCYMEVOGLA-UHFFFAOYSA-N 373.441 2.836 50 1 FFGF Cc1oc(C(=O)O)cc1[C@]1(CCl)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963037574 VQOUZZXZFDDKHB-JEOXALJRSA-N 374.824 2.822 50 1 FFGF O=C1Nc2ccc(Cl)cc2/C1=N/NC(=O)c1cc2ccccc2oc1=O 103285648 CAAAYQDEMDVKSS-UHFFFAOYSA-N 367.748 2.533 50 1 FFGF O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@@H](Cl)[C@@H]1c1ccco1 103219543 RGSGHIJNJFBWSX-AAEUAGOBSA-N 350.161 2.780 50 1 FFGF CC(=O)O[C@]1(C)CC[C@H]2C[C@H]1OO[C@]2(C)CS(=O)(=O)c1ccccc1 253632832 CQFIPESXGGQKLO-DZOHQFGASA-N 368.451 2.671 50 1 FFGF CC[C@H](C(=O)NN)n1nc(C)c(C#Cc2cc(Cl)ccc2OC)c1C 587902638 JGJJERJIRIKOSQ-MRXNPFEDSA-N 360.845 2.503 50 1 FFGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(OCC(N)=O)cc1)O2 587374318 WGQZJIBOMJCTJS-IBGZPJMESA-N 374.824 2.541 50 1 FFGF CCOC(=O)[C@@]1(/C(C#N)=C/N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587513433 SKIMRYSDDDAYCN-AXDNMFEOSA-N 368.433 2.802 50 1 FFGF COc1cccc(C2=C[C]3c4cc5c(cc4CCN3C(N)=C2C#N)OCO5)c1 2356843255 MDMGUNDIYBAMGF-UHFFFAOYSA-N 372.404 2.953 50 1 FFGF COc1ccc([C@@H]2Oc3c(O)cc(/C=C/C=O)cc3[C@@H]2CO)cc1OC 72109373 YGQBKZGYLCQCDU-AABORUILSA-N 356.374 2.831 50 1 FFGF C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)C[C@@H](OO)C(=C)C[C@H](OCC(C)C)[C@H]12 2356692083 ITYHUNDKHWVEMW-SFFUCWETSA-N 352.427 2.641 50 1 FFGF CN(C)CCSSCCn1cc(-c2ccc(N(C)C)cc2)nn1 618010549 ZNWMVOSGMVPHCP-UHFFFAOYSA-N 351.545 2.954 50 1 FFGF COc1cc([C@@H]2Oc3c(OC)cc(C=CC=O)cc3[C@@H]2CO)cc(O)c1O 2356741512 USSBRSIZHILPBL-LIRRHRJNSA-N 372.373 2.537 50 1 FFGF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](Cl)C(=O)C(=O)OCC)CC2=O 587461094 WLDJGQWDCSJMEQ-FUHWJXTLSA-N 368.813 2.808 50 1 FFGF Oc1ccccc1[C@@]1(CBr)NCCc2nc3ccccn3c21 962984299 CJGCHVWVSLOEGL-QGZVFWFLSA-N 358.239 2.824 50 1 FFGF COc1ccc([C@@H]2Oc3c(O)cc(C=CC=O)cc3[C@H]2CO)cc1OC 2356575717 YGQBKZGYLCQCDU-BEFAXECRSA-N 356.374 2.831 50 1 FFGF CN(C)c1cc[n+](/C(C=C(C#N)C#N)=C(\O)c2ccc([N+](=O)[O-])cc2)cc1 209109468 ZAFBVNGLXFNXBB-HNENSFHCSA-O 362.369 2.806 50 1 FFGF COC(=O)C[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541296 ARUXVQSJMPYHOI-MAUKXSAKSA-N 362.765 2.895 50 1 FFGF CC[C@H](C)[C@H](NC(=O)c1ccc(OC)cc1)C(=O)N/N=C/c1ccco1 45338563 MOZZECUZFGFCHZ-GTGHBLEKSA-N 357.410 2.583 50 1 FFGF CCn1c(SCC(=O)N/N=C/c2ccccc2)nc2ccccc2c1=O 1650468 SVHMJVCNNBOTLB-UDWIEESQSA-N 366.446 2.659 50 1 FFGF COc1cc(C(=O)N/N=C(C)/C=N/Nc2ccc([N+](=O)[O-])cc2)ccc1O 1857758006 GIFUPOAPHWKOMF-XOBNHNQQSA-N 371.353 2.513 50 1 FFGF Cc1c(-c2nc3ccc(C(=O)NN)cc3[nH]2)cnn1-c1ccc(Cl)cc1 587075118 BXETZDRGHYVZRP-UHFFFAOYSA-N 366.812 2.981 50 1 FFGF C[C@@H]1CC[C@H]2[C@@](C)(C(=O)OCCCl)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103190923 OSVFCPCANYVXBC-QDUGBWKWSA-N 360.834 2.773 50 1 FFGF C[C@H](CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)O 43504342 HBTRKFIRCRFPMK-WNTCPWGBSA-N 370.442 2.932 50 1 FFGF COC(=O)CCCCCCC(=O)N/N=C/c1ccncc1Br 95808710 AXSUPZYVBAMNKN-VCHYOVAHSA-N 370.247 2.808 50 1 FFGF O=C(CBr)NCCc1nc2cccc(OC(F)(F)F)c2[nH]1 586971611 UORUCNTUFBAZTQ-UHFFFAOYSA-N 366.137 2.515 50 1 FFGF O=C(CN1C(=O)c2ccccc2N[C@H]1c1ccoc1)N/N=C/c1ccco1 1772643128 BKUJSNRSPPDKJQ-SVYXSEEQSA-N 364.361 2.589 50 1 FFGF O=C(NNc1ncnc2sc3c(c12)CCCC3)c1cc(O)ccc1O 1772618897 LSXFHOLDBJBRGI-UHFFFAOYSA-N 356.407 2.738 50 1 FFGF Cc1ccccc1-n1c(CSS(=O)(=O)O)nc2ccccc2c1=O 169316419 NGMCZHIHHNTRLW-UHFFFAOYSA-N 362.432 2.730 50 1 FFGF C/C(=N/NC(N)=O)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12 1857554773 VQZDLLCLJCBAIO-MOSHPQCFSA-N 370.434 2.579 50 1 FFGF COc1cc(/C=C/C=O)cc(-c2cc(/C=C/CO)cc(OC)c2O)c1O 69482541 NFXJIGSOQYQWLV-GGWOSOGESA-N 356.374 3.000 50 1 FFGF biogenic,in-vitro O=C1OC(=O)c2cc(NS(=O)(=O)c3ccccc3)cc3cccc1c23 95582887 KUQWUQXGRSBRLU-UHFFFAOYSA-N 353.355 2.951 50 1 FFGF COc1cc2c3c(c1)O[C@@](CBr)(c1cncnc1)[C@@H](C2)C3=O 587413797 QKYGTAJYCDABLN-LRDDRELGSA-N 361.195 2.523 50 1 FFGF C=C1CC[C@H](C(C)C)/C=C/[C@@](C)(O)C[C@@H](O)[C@H](O)[C@@]2(C)CC[C@@H]1OO2 238769115 FAJGWQQSQDRLJV-KKULXESRSA-N 354.487 2.897 50 1 FFGF COc1cc([C@@H]2Oc3c(OC)cc(/C=C\C=O)cc3[C@H]2CO)ccc1O 15152898 GWCSSLSMGCFIFR-UYOUTQTKSA-N 356.374 2.831 50 1 FFGF CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](OCCC/N=C(\N)CSS(=O)(=O)O)C2 31723396 ZSWMGXUMVHGEJK-XUJVJEKNSA-N 364.533 2.501 50 1 FFGF O=C(Cc1ccccc1)NN/C=C1\C=C(Br)C=C(Cl)C1=O 13130810 BKZZLPVIOUGRTH-PKNBQFBNSA-N 367.630 2.718 50 3 FFGF CC1(C)[C@@H]2CC[C@]1(C)[C@@H](OCCC/N=C(\N)CSS(=O)(=O)O)C2 195520763 ZSWMGXUMVHGEJK-TYNCELHUSA-N 364.533 2.501 50 1 FFGF COc1cc2c3c(c1)O[C@](CSC#N)(c1ccc(O)c(O)c1)[C@@H](C2)C3=O 587448671 LGDOCVUCVXZGPW-ORAYPTAESA-N 369.398 2.964 50 1 FFGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C(N)=O)cs1)[C@@H](C2)C3=O 587449090 ARXTVTXZXFJFJF-APPDUMDISA-N 363.822 2.737 50 1 FFGF Cc1c(O)ccc2c1[C@@](CCl)(c1nccn1C(C)C)N[C@H](C(=O)O)C2 963487198 CJWULFVCOINJSH-UGSOOPFHSA-N 363.845 2.559 50 1 FFGF COC(=O)N/N=C/c1cn(-c2ccc(C(=O)O)cc2)nc1-c1ccccc1 1772616949 PYMCZQHJJYTOJP-RGVLZGJSSA-N 364.361 2.927 50 1 FFGF CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)C(=O)CCl 27313113 VVLFNEQSKHHGEI-UKRRQHHQSA-N 368.861 2.640 50 1 FFGF COc1cc(O)cc([C@H]2Oc3c(OC)cc(C=CC=O)cc3[C@@H]2CO)c1 2356531265 ULBMBMMLJNHZBG-PKOBYXMFSA-N 356.374 2.831 50 1 FFGF Cc1cc(Cc2nc3ccc(C(=O)NN)cc3[nH]2)ccc1Br 586977816 SSLSALCKJQOZQX-UHFFFAOYSA-N 359.227 2.828 50 1 FFGF Oc1ccc([C@H]2Oc3cc(O)c(Cl)c(O)c3[C@H](Cl)[C@H]2O)cc1O 29338064 VCXPPWLVMKLPIT-NWANDNLSSA-N 359.161 2.937 50 1 FFGF COC(=O)[C@H](Cl)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544545 OBYYSWXGZWTNMC-SKDZVZGDSA-N 362.765 2.893 50 1 FFGF Oc1ccc([C@H]2Oc3cc(O)c(Cl)c(O)c3[C@@H](Cl)[C@@H]2O)cc1O 29338077 VCXPPWLVMKLPIT-VHDGCEQUSA-N 359.161 2.937 50 1 FFGF COc1cc(O)cc([C@@H]2Oc3c(OC)cc(C=CC=O)cc3[C@H]2CO)c1 2356531264 ULBMBMMLJNHZBG-MJGOQNOKSA-N 356.374 2.831 50 1 FFGF O[C@@H]1[C@@H](CCl)O[C@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H]1O 27879236 LUQRQRRMKSOTHM-DBIOUOCHSA-N 372.035 2.855 50 1 FFGF Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(C(=O)NN)cc2[nH]1 587026935 KFPHKPIVVKCYSI-UHFFFAOYSA-N 353.407 2.782 50 1 FFGF CN(C)S(=O)(=O)c1ccc2nc(/C(C#N)=C\c3ccccc3)[nH]c2c1 587188318 PPXDOYXXVCBQHJ-UVTDQMKNSA-N 352.419 2.877 50 1 FFGF O=C(N/N=C1/c2cc(Br)cnc2-n2cccc21)c1ccncc1 1857653360 PGTRKXGJJZAPIR-ZHZULCJRSA-N 368.194 2.526 50 1 FFGF C=C1CC[C@H](C(C)C)C=C[C@](C)(O)C[C@H](O)[C@@H](O)[C@@]2(C)CC[C@H]1OO2 2356465703 FAJGWQQSQDRLJV-YDETXVTLSA-N 354.487 2.897 50 1 FFGF C/C(=N\NC(=O)c1cccc(S(C)(=O)=O)c1)c1cc(Cl)ccc1O 47953159 YBILTGARRKFNNU-VCHYOVAHSA-N 366.826 2.603 50 1 FFGF O=C1[C@@H](Cl)[C@@H](c2ccccc2Cl)N1n1cnc2ccccc2c1=O 1632101 UTFVGRNGKLFYML-LSDHHAIUSA-N 360.200 2.877 50 1 FFGF N[P@](=O)(OCc1ccc([N+](=O)[O-])cc1)N(CCCl)CCCl 27526762 KHWBOTPHMVANOX-NRFANRHFSA-N 356.146 2.958 50 1 FFGF CN(C)[P@](=O)(c1ccccc1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 59425510 WIBUXVATGVSBDW-DEOSSOPVSA-N 361.769 2.711 50 1 FFGF O=C(O)CCCCC(=O)O[C@]12CCCC[C@H]1[C@@H]1CCCC[C@@]1(O)OO2 43226472 MBHXUUGEWJXIFG-ZZCKCESHSA-N 356.415 2.902 50 1 FFGF CN(C)CCSSCCNC(=O)c1cc(Cl)c2[nH]cnc2c1 618018367 ZNSROTPXSGAHTH-UHFFFAOYSA-N 358.920 2.889 50 1 FFGF C=C1CC[C@H](C(C)C)C=C[C@](C)(O)C[C@@H](O)[C@H](O)[C@@]2(C)CC[C@H]1OO2 2356465702 FAJGWQQSQDRLJV-JBKQDOAHSA-N 354.487 2.897 50 1 FFGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccnc(O)c2[nH]1 587009813 URDZLUBOAWAWRP-AWEZNQCLSA-N 369.812 2.784 50 1 FFGF C[C@@H](CO[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)O 1911584581 HBTRKFIRCRFPMK-MLPNMOJHSA-N 370.442 2.932 50 1 FFGF CC(C)(C(=O)NC1CCCCC1)c1ccc(S(=O)(=O)/C=C/C#N)cn1 147627815 UVNDDZGQHVFCQH-WUXMJOGZSA-N 361.467 2.619 50 1 FFGF O=C(N/N=C/c1ccc2c(c1)OCO2)c1nc(-c2ccc(Cl)cc2)no1 95573214 WCAIREQEBZOZJI-UFWORHAWSA-N 370.752 2.883 50 1 FFGF N#CC1=C(N)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@@H]12 53296321 AKXWPCFXKWCPJS-ZWKOTPCHSA-N 351.454 2.639 50 1 FFGF COC(=O)CCO[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 169359078 MLCMYVNIWOSCTQ-FDLKZVMHSA-N 370.442 2.774 50 1 FFGF CN(C)CCSSCCNC(=O)c1cccc(C(F)(F)F)n1 621477627 QWPPUGKAAWSGDG-UHFFFAOYSA-N 353.435 2.773 50 1 FFGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C(N)=O)cs1)[C@@H](C2)C3=O 587449093 ARXTVTXZXFJFJF-GTNSWQLSSA-N 363.822 2.737 50 1 FFGF COC1=CC(=CNNC(=O)c2cccc3ccccc23)C=C(OC)C1=O 15885142 LREJXLJJQPYXFI-UHFFFAOYSA-N 350.374 2.601 50 3 FFGF CCOCCOC(=O)/C(C#N)=C(\NCc1cnc(Cl)s1)SC 103283008 JEYPIECXQHANAI-ZHACJKMWSA-N 361.876 2.564 50 1 FFGF O=C(N/N=C/c1c(Cl)c2ccccc2oc1=O)c1ccc(O)cc1O 1772632209 URZKOCJPOTYSFQ-UFWORHAWSA-N 358.737 2.622 50 1 FFGF COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c1OC 13586150 MAJMEGGBRWCHCR-SFHVURJKSA-N 351.406 2.988 50 1 FFGF COC(=O)c1ccc2c(c1C(=O)OC)C(=O)[C@H](Br)CC2(C)C 40845547 XFEDBXFFZMRELQ-SNVBAGLBSA-N 369.211 2.887 50 1 FFGF C=C(CCCC(C)=O)[C@H](C(=O)O)[C@H](CC=O)/C(C=O)=C\C=C\C(C)(C)O 166759952 JOCVINHFPIDHBY-PXFGQGFUSA-N 364.438 2.660 50 1 FFGF COc1ccc(C(=O)N[C@H](C(=O)N/N=C/c2ccccc2)C(C)C)cc1 9973374 NDTGHULOKVVZBA-LANLRWRYSA-N 353.422 2.600 50 1 FFGF CN(C)NC(=O)Nc1cccc2c1C(=O)c1c(-c3ccsc3)n[nH]c1-2 13588749 QGPBWFYKIZOMKQ-UHFFFAOYSA-N 353.407 2.948 50 1 FFGF COc1cc(/C=C/C=O)cc2c1O[C@H](c1ccc3c(c1)OCO3)[C@H]2CO 238775284 WMSOKIAFJYVUKN-HMSPERNYSA-N 354.358 2.846 50 1 FFGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccncn1)[C@@H](C2)C3=O 587414503 VXOGZEJKGNMURT-MEDUHNTESA-N 361.195 2.523 50 1 FFGF Cn1cccc1/C=N/NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F 753003 YCRAKNRMPVFKJJ-UFFVCSGVSA-N 361.327 2.994 50 1 FFGF O=C(CCCCCCCCCCN=C=S)CC(=O)N[C@H]1CCOC1=O 72180857 OQQSOMPKHZHULI-INIZCTEOSA-N 368.499 2.991 50 1 FFGF COc1ccc(Cl)cc1C#Cc1cccc(-c2cc(C(=O)NN)n[nH]2)c1 587905367 RZONOOQAUDMAPP-UHFFFAOYSA-N 366.808 2.742 50 1 FFGF CN(C)S(=O)(=O)c1cccc2nc(CCCCBr)[nH]c12 586972485 UBNISHUVMDJYAM-UHFFFAOYSA-N 360.277 2.531 50 1 FFGF C[C@@H](Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)NN 29470588 WIRSHEWAYCELSP-SNVBAGLBSA-N 358.785 2.833 50 1 FFGF COc1cc([C@@H]2Oc3c(OC)ccc(/C=C/C=O)c3[C@H]2CO)ccc1O 238784306 HDZDFHQYGJFWNH-MXFOGMGMSA-N 356.374 2.831 50 1 FFGF C/C(=N\NC(=O)Cn1c(=O)c(C)nc2ccccc21)c1ccc(Cl)cc1 653725014 KFNAFUULZVJARK-WSDLNYQXSA-N 368.824 2.899 50 1 FFGF C/C(=N\NC(=O)Nc1nc2ccc(CN(C)C)cc2s1)c1cnccn1 1857615628 QHVZUXHEHUYATM-SSDVNMTOSA-N 369.454 2.694 50 1 FFGF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)[C@@H]1CCCO1 1857596591 INMVQOOVAFFVNO-FRSZACSASA-N 363.801 2.627 50 1 FFGF C=C(C=O)[C@@H]1CC2=C([C@H](OC(C)=O)C1)[C@]1(CCCC(C)(C)C1=O)COC2=O 2356602528 CIFIZNMSNSLKRM-NVAPDCRFSA-N 374.433 2.702 50 1 FFGF O=C(CCCCCC(=O)NN/C=C/c1c(O)ccc2ccccc12)NO 40379278 MJRUMFRGCVBFFS-OUKQBFOZSA-N 357.410 2.593 50 1 FFGF C/C(=N\NC(=O)CC#N)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 299857851 DDYLEUPWPUDECS-XSFVSMFZSA-N 370.434 2.550 50 1 FFGF Cc1c(/C=N/NC(=O)c2ccc(Cl)cc2)[n+](=O)c2ccccc2n1O 1772585851 BKTOSOCZPFQFFD-VXLYETTFSA-O 357.777 2.519 50 1 FFGF CC[C@@H]1C[C@@]2(CC)O/C(=C/C(=O)OC)[C@@]3(CC)OO[C@H]([C@@H](C)O)[C@@H]1[C@H]32 238786548 HXBJHHAGBLMCAA-SSMFAREYSA-N 354.443 2.745 50 1 FFGF O=C1C=Cc2ccccc2/C1=C/NNC(=O)c1cncc(Br)c1 13125123 KHMUDUAKDNFFBD-GDNBJRDFSA-N 370.206 2.716 50 3 FFGF COc1ccc(/N=C2/C(=O)N(c3ccccc3)C(=O)[C@H]2Cl)c(OC)c1 169691355 GXUZALXHDMYTAX-QOBDKFOYSA-N 358.781 2.957 50 1 FFGF CC(=O)C1=C(O)/C(=C(\O)Nc2c(Cl)cccc2Cl)C(=O)OC1=O 169336587 AOJPFVGIGLLWPQ-FMIVXFBMSA-N 358.133 2.659 50 1 FFGF Cc1ccc(Cl)c2c1NC(=O)[C@H]2NNC(=O)[C@@H](C)c1ccc(O)cc1 95921119 QYEVTRORXICGHU-QFYYESIMSA-N 359.813 2.772 50 1 FFGF in-vitro CC1=C([C@@H](OC(=O)CC(C)C)[C@@]2(C)C(C=O)=CCC[C@@H]2C)[C@H](O)OC1=O 238740419 QQZGFNTYFXIZMI-YYTAETEZSA-N 364.438 2.698 50 1 FFGF COc1ccc(Cl)cc1C#Cc1ccc(OCC(=O)NN)c(Cl)c1 587902528 XYRVLUKRLVITGN-UHFFFAOYSA-N 365.216 2.771 50 1 FFGF COc1cccc(Cn2c(C)c(CC(=O)NN)c3cc(OC)ccc32)c1 13445936 DUOQNQDHUDMOKR-UHFFFAOYSA-N 353.422 2.548 50 1 FFGF CC[C@@H]1C[C@]2(CC)OC(=CC(=O)OC)[C@]3(CC)OO[C@H]([C@H](C)O)[C@H]1[C@@H]23 2356732936 HXBJHHAGBLMCAA-XMTDONSBSA-N 354.443 2.745 50 1 FFGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](OCCN(C)C)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 43682637 JWJDQOMUVHWFAI-ICQGVRJWSA-N 355.475 2.773 50 1 FFGF O=C(NNc1ncnc2sc3c(c12)CCC3)c1nc2ccccc2[nH]1 1772654730 MGGRDFPLDYPNAW-UHFFFAOYSA-N 350.407 2.813 50 1 FFGF Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@H]([C@@](C)(O)CCl)O3 14689048 PGOOUZZLZBIMRI-BEFAXECRSA-N 359.809 2.691 50 1 FFGF endogenous,in-man O=C1[C@H](Cl)[C@H](c2ccccc2Cl)N1n1cnc2ccccc2c1=O 5838611 UTFVGRNGKLFYML-CABCVRRESA-N 360.200 2.877 50 1 FFGF CC[C@@]1(C(=O)OC(C)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595440 NZELWPHKNYAZDD-DNVCBOLYSA-N 356.330 2.592 50 1 FFGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cnon1 587544113 MNGJIJROEXDDEO-RHSMWYFYSA-N 358.737 2.871 50 1 FFGF O=C1[C@H](Cl)[C@@H](c2ccc(Cl)cc2)N1n1cnc2ccccc2c1=O 1632103 LNRZYBWNRWQHSW-HUUCEWRRSA-N 360.200 2.877 50 1 FFGF N#CC1=C(N)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@H]12 53296317 AKXWPCFXKWCPJS-MSOLQXFVSA-N 351.454 2.639 50 1 FFGF CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@H]2[C@H](C=O)C1=C(C=O)C(=O)O 2356504945 LMDFIBIKBBICGI-ASNKJTAVSA-N 366.417 2.502 50 1 FFGF CC(=O)Nc1cccc(-c2cn(CCSSCCN(C)C)nn2)c1 618010488 YBZSCMHODIZRDM-UHFFFAOYSA-N 365.528 2.847 50 1 FFGF COc1ccc2c(/C=N/NC(=O)C(=O)c3c[nH]c4ccccc34)c[nH]c2c1 1857746236 AROYGUAMMWQOHA-AUEPDCJTSA-N 360.373 2.991 50 1 FFGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cnnn2C)N1 587687013 YLRJBJYUYJDHMI-CLAHSXSESA-N 373.657 2.733 50 1 FFGF COc1ccc(Cl)cc1C#Cc1ccc(-c2cc(C(=O)NN)n[nH]2)cc1 587906547 KFFMZMWKQGLKHI-UHFFFAOYSA-N 366.808 2.742 50 1 FFGF CC(C)COc1cccc(OCc2nc3ccc(C(=O)NN)cc3[nH]2)c1 587566003 OZOLOZWWEXSAOL-UHFFFAOYSA-N 354.410 2.780 50 1 FFGF COc1ccc2[nH]cc(/C=N/NC(=O)C(=O)c3c[nH]c4ccccc34)c2c1 1857749767 QKOVDCUTMSBADM-AUEPDCJTSA-N 360.373 2.991 50 1 FFGF CC1(C)C[C@H]([C@]23CC[C@@](Cl)(CO)[C@@H](O)[C@H]2O3)CC[C@@H]1Br 39009244 NVDCRQTXFHCJFT-ZLSAFIHNSA-N 367.711 2.838 50 1 FFGF COC(=O)C[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541297 ARUXVQSJMPYHOI-QAPCUYQASA-N 362.765 2.895 50 1 FFGF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(C(=O)NN)cc2[nH]1 587926891 LZCDMPVOYZUQLR-CYBMUJFWSA-N 354.410 2.726 50 1 FFGF CC(C)C(=O)Nc1ccccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 1021251 XQBXTQDIUBVJOD-YBFXNURJSA-N 354.366 2.953 50 3 FFGF COc1cc(OC)c2c(c1C(C)=O)OC(C)(C)[C@H](O)[C@H]2Br 1857637858 ALUMFQDCLSGUTJ-GXTWGEPZSA-N 359.216 2.874 50 1 FFGF C[C@@H]1CC[C@H]2[C@@](C)(COC(=O)CCl)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103192720 ATMNLOGYWSASKK-PJVGDVRFSA-N 360.834 2.773 50 1 FFGF C[C@@H]1CC[C@H]2[C@@](C)(O)[C@@H](OCC3CC3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 1911570736 MSYSLRQHRWTBCY-ZDSAUMOBSA-N 354.443 2.736 50 1 FFGF CC(=O)Nc1ccc(/C=N/NC(=O)c2nc(-c3ccc(F)cc3)no2)cc1 45366887 FVQIFZTUVBJFSH-KEBDBYFISA-N 367.340 2.598 50 1 FFGF O=C(CCCCC(=O)N/N=C/c1ccc(Oc2ccccc2)cc1)NO 95808610 DCFJKKFASNOGDY-XSFVSMFZSA-N 355.394 2.995 50 1 FFGF CCOC(=O)c1[nH]c2ccc(Cl)cc2c1CNNC(=O)c1ccncc1 653690535 UMAVCCMLQKFKGH-UHFFFAOYSA-N 372.812 2.828 50 1 FFGF CC(C)=CCOc1ccc([C@@H]2C[C@@H]2C(=O)NNC(=O)c2ccncc2)cc1 49069510 NSCFKUUAIJZRHM-OALUTQOASA-N 365.433 2.991 50 1 FFGF Cc1nc2ccccc2n(CC(=O)N/N=C/c2ccc(Cl)cc2)c1=O 653719117 UVGJFCXWQQUFEY-KEBDBYFISA-N 354.797 2.509 50 1 FFGF CC(C)(NC(=O)CCl)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587007958 JTSQRUFREMODNV-UHFFFAOYSA-N 374.622 2.614 50 1 FFGF C[C@]1(CBr)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962629012 GMEBPKRQZGRTSD-ZYHUDNBSSA-N 368.149 2.794 50 1 FFGF CC(=O)N1C/C(=N/NC(=O)[C@@H](C)Nc2c(C)cccc2C)c2ccccc21 5390606 LJVBZYDJKQFPJG-VKWHMPGMSA-N 364.449 2.991 50 1 FFGF C/C(=N\NC(=O)CN[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1cccc(N)c1 1857644456 NRDXLOGJUMAQCQ-IUYLSVMLSA-N 358.392 2.533 50 1 FFGF Cn1c(CCCC(=O)O)nc2ccc(N(CCS)CCCl)cc21 299854267 WXVGANLYLZUPCJ-UHFFFAOYSA-N 355.891 2.956 50 1 FFGF C[S@](=O)c1ccc(CO[P@@](N)(=O)N(CCCl)CCCl)cc1 102949734 YXGJUDKWFMTARJ-NHCUHLMSSA-N 373.242 2.787 50 1 FFGF O=C(CCc1ccc(O)cc1)NN=Cc1cc(Br)ccc1O 263603199 NFVDIJBWLQZOKN-UHFFFAOYSA-N 363.211 2.943 50 1 FFGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C(N)=O)cs1)O2 587411333 STXXARKPNAUBQA-MRXNPFEDSA-N 350.827 2.837 50 1 FFGF CCCNNC(=O)/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1 1857534164 UDGUXVFMHHYIKM-VAWYXSNFSA-N 359.451 2.531 50 1 FFGF COc1cc2c3c(c1)O[C@](CBr)(c1cncnc1)[C@@H](C2)C3=O 587413796 QKYGTAJYCDABLN-BLLLJJGKSA-N 361.195 2.523 50 1 FFGF CC(C)C[C@]1(c2ccc(B(O)O)cc2)c2ccc(F)cc2C[C@H]2CCCN21 963100654 IPYIZIUWMGAQOE-IRLDBZIGSA-N 367.273 2.816 50 1 FFGF CN(C)c1cc[n+](C(C=C(C#N)C#N)=C(O)c2ccc([N+](=O)[O-])cc2)cc1 1857626535 ZAFBVNGLXFNXBB-UHFFFAOYSA-O 362.369 2.806 50 1 FFGF Cc1cc(SCC(=O)NN/C=C2\C=CC(=O)C=C2O)nc2ccccc12 13126053 FEFDWFOQVWFOLF-JLHYYAGUSA-N 367.430 2.721 50 3 FFGF O=C(Cc1ccc(O)cc1)N/N=C1\C(=O)Nc2c(Cl)cc(Cl)cc21 72179742 VLUVOCUXUFABHL-UHFFFAOYSA-N 364.188 2.714 50 1 FFGF COC(=O)[C@H](Cl)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587690133 ZIIYAVKJKOOJNG-ZYDDLXRUSA-N 350.615 2.944 50 1 FFGF COc1ccc2ccc(=O)oc2c1C(/C=C/c1cccs1)=N/NC(N)=O 299871892 ZJOREFPPYHHSTK-CQYYAIEWSA-N 369.402 2.949 50 1 FFGF CCCc1c(O)ccc2c1O[C@@]1(C=NN(CCC)C(=O)[C@@H]1Cl)CC2=O 587462775 SQIXPNLIYOYNFK-FUHWJXTLSA-N 364.829 2.894 50 1 FFGF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(/C(C#N)=C\N(C)C)CC2=O 587468871 KQQQTMQKSISVPC-GHYICZDASA-N 372.421 2.581 50 1 FFGF C=CC/C(C=O)=C1\O[C@@H]2CC(=O)N2[C@@]1(CC=C)C(=O)OCc1ccccc1 222282216 RNEZBAWBDZGLDN-GJEZKGRTSA-N 367.401 2.662 50 1 FFGF CN(C)Cc1ccc2nc(NC(=O)N/N=C/c3ccccn3)sc2c1 1857605952 AIBPBJWYRKNJCG-VXLYETTFSA-N 354.439 2.909 50 1 FFGF CC[C@@H](Br)C(=O)Nc1ccc(C2=NNC(=O)C[C@@H]2C)cc1 27890840 JVYOZQDPPFGVCU-JOYOIKCWSA-N 352.232 2.659 50 1 FFGF CCNCCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 43889099 IOGSPFBUSRIKQB-YRPRCUQKSA-N 355.475 2.821 50 1 FFGF CC(=O)Nc1ccc(/C=N/NC(=O)c2nc(-c3ccc(C)cc3)no2)cc1 45389352 OOCLKIHLTGACPK-RGVLZGJSSA-N 363.377 2.767 50 1 FFGF O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1)c1ccncc1 49070840 ZSOXEPTXZVLNSA-ZIAGYGMSSA-N 365.311 2.545 50 1 FFGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](OCCN(C)C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 43682641 JWJDQOMUVHWFAI-OTCFHACESA-N 355.475 2.773 50 1 FFGF O=c1cc(CCl)oc(CN2CCN(Cc3ccc(F)cc3)CC2)c1O 64504002 JTRXVXYUDLNWAA-UHFFFAOYSA-N 366.820 2.541 50 1 FFGF O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@H](Cl)[C@H]1c1ccco1 103219545 RGSGHIJNJFBWSX-DGCLKSJQSA-N 350.161 2.780 50 1 FFGF CC(=O)Nc1ccc(C(=O)NCCCSSCCN(C)C)cc1 618007599 BNLMYTHTHGPTGK-UHFFFAOYSA-N 355.529 2.708 50 1 FFGF Cc1c(CNC(=O)CCl)[nH]c2c1c(Br)cc1n[nH]cc12 587621182 RKDWTGVZCYWMOT-UHFFFAOYSA-N 355.623 2.970 50 1 FFGF NNC(=O)c1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1 587005238 DOWICKAJCNQBQZ-UHFFFAOYSA-N 366.606 2.644 50 1 FFGF Cc1c(CC(=O)NN)c2cc(C(=O)O)ccc2n1Cc1cccc(Cl)c1 1484234 SJGSEDMYDLCWTF-UHFFFAOYSA-N 371.824 2.882 50 1 FFGF COc1cc(C(=O)NNS(=O)(=O)c2ccccc2)cc(-c2ccco2)c1 1857620570 NPULMECYCMHJNT-UHFFFAOYSA-N 372.402 2.579 50 1 FFGF CC(C)(F)[C@@H](Br)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587087958 ZVEDJCWHBSKQAP-VIFPVBQESA-N 351.197 2.994 50 1 FFGF COc1ccc(CC(=O)NN(CC(C)C)c2nc(C#N)ncc2Cl)cc1 58563739 ZWRMMEPTRVAIBA-UHFFFAOYSA-N 373.844 2.747 50 1 FFGF Cc1ccc2c(c1)[C@H](N[C@H](Cc1ccccc1)C(=O)O)[C@@H](Cl)C(=O)O2 105138943 ADWQHMXRYKUWAT-OIISXLGYSA-N 359.809 2.848 50 1 FFGF O=C(NCCCl)Nc1ccc(S(=O)(=O)Oc2ccc(O)cc2)cc1 95552074 SSFQISBGMVCQIW-UHFFFAOYSA-N 370.814 2.520 50 1 FFGF C=CCN1N=C[C@]2(CC(=O)c3ccc(O)c(CCC)c3O2)[C@@H](Cl)C1=O 587461990 OLLYJCOARUWBPM-FUHWJXTLSA-N 362.813 2.670 50 1 FFGF C#CC=CC[C@@H]1O[C@H]2C[C@H]1O[C@H](CC)[C@@H](Br)C[C@H]2OC(C)=O 2356542900 BIUSEKZVPMEEEN-OIBBZDHESA-N 371.271 2.986 50 1 FFGF CCN(c1ccc(-c2csc(/C(C#N)=C(/C)N)n2)cc1)S(C)(=O)=O 587922908 ICBYQNDOXWWGBV-KAMYIIQDSA-N 362.480 2.809 50 1 FFGF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)CSC 1857559188 YIXDNXIQYAVTHS-REZTVBANSA-N 353.831 2.811 50 1 FFGF O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)[C@H]1CS[C@H](c2ccc(F)cc2)N1 1857576800 JDRLZTJPIUKHCN-GWDQGSRTSA-N 374.397 2.588 50 1 FFGF COc1cc2c3c(c1)O[C@@]1(CC=Cn4c1nc(CCl)cc4=O)[C@@H](C2)C3=O 587421294 KZWGMAFFSDFUIP-DJJJIMSYSA-N 370.792 2.508 50 1 FFGF O=C(NNc1nncc(-c2ccc(Cl)c(Cl)c2)n1)C(F)(F)F 33865585 UIKQTRLNCCMSJJ-UHFFFAOYSA-N 352.103 2.851 50 1 FFGF O=c1cc(CCl)oc(CN2CCN(c3ccc(F)cc3)CC2)c1O 96922707 BGYLLTMBNLIWBO-UHFFFAOYSA-N 352.793 2.546 50 1 FFGF NNC(=O)c1ccc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c2c1 587108553 AZVLLBPPTWDYNX-UHFFFAOYSA-N 364.283 2.550 50 1 FFGF CC[C@@H](NC1=C(N=C2C=CC=C(C#N)C2=O)NSN1)c1ccc(C)o1 2356705148 XXEHSVURGZZDBS-GFCCVEGCSA-N 355.423 2.541 50 1 FFGF CCOc1cc(/C=N/NC(=O)CCCCCCC(=O)OC)ccc1O 95809066 IZCWADLBFJCCHG-CPNJWEJPSA-N 350.415 2.755 50 1 FFGF COC(=O)C(C)(C)[C@@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 587372233 HYDMNHMONPKUOS-INIZCTEOSA-N 370.243 2.875 50 1 FFGF C/C(=N\NC(=O)Cn1c(=O)c(C)nc2ccccc21)c1cccc(Cl)c1 207939409 FNSTWHLLSPVMIB-WSDLNYQXSA-N 368.824 2.899 50 1 FFGF CC(C)n1cc(COc2ccc(/C=N/NC(=O)c3ccncc3)cc2)nn1 169346154 MMTBSGSEOSRLCT-SRZZPIQSSA-N 364.409 2.597 50 1 FFGF Nc1ccc(C(=O)NN2C(=O)[C@H](Cl)[C@@H]2c2ccc(Cl)cc2)cc1 1633079 YKDWSLZKAPVLDU-KGLIPLIRSA-N 350.205 2.758 50 3 FFGF CN(C)S(=O)(=O)c1ccc2nc(CCCCBr)[nH]c2c1 586972642 YGQDIWUXWBSWOZ-UHFFFAOYSA-N 360.277 2.531 50 1 FFGF Cc1oc(C(=O)O)cc1[C@@]1(CCl)NC[C@H]2CC(=O)N(C)c3cccc1c32 963037595 VQOUZZXZFDDKHB-WYRIXSBYSA-N 374.824 2.822 50 1 FFGF CC(C)(C)[Si](OCc1ccc(=O)[nH]n1)(c1ccccc1)c1ccccc1 195295968 RUZFXJCSTMOAKY-UHFFFAOYSA-N 364.521 2.847 50 1 FFGF CCOCCOC(=O)/C(C#N)=C(\NCc1ncc(C(C)C)o1)SC 103200522 HJIMOSWNJSKCDZ-NTCAYCPXSA-N 353.444 2.565 50 1 FFGF O=C1[C@@H](Cl)[C@@H](c2ccccc2)N1/N=C/CCn1nnc2ccccc21 66251225 YQYWEUJMANDSGT-XKOORFEASA-N 353.813 2.998 50 1 FFGF C#CC=C[C@H](Cl)[C@H](O)[C@@H]1C[C@@H]2O[C@@H]2C[C@@H](Br)[C@@H](CC)O1 2356469377 LCMJLOAUBZVHDH-NNEGLZRWSA-N 363.679 2.633 50 1 FFGF Nc1c(C(=O)N/N=C/c2cccc(O)c2)oc2nc(C(F)(F)F)ccc12 653715979 FBMAPDDPRUVZBW-QPSGOUHRSA-N 364.283 2.898 50 1 FFGF O=C(N/N=C/c1ccc(Br)cc1)Nc1nnc(S)s1 28863631 IFEPNUWGMXQWOG-LFYBBSHMSA-N 358.246 2.745 50 1 FFGF COCCCCn1c(=O)cc(Nc2ccc(C)c(CSC#N)c2)[nH]c1=O 26663059 PQNBRZNFFQITEH-UHFFFAOYSA-N 374.466 2.730 50 1 FFGF CC=C(C=O)[C@H]1C[C@H]2c3[nH]c4ccc(O)cc4c3CCN2C=C1C(=O)OC 2356546507 MQVIKCNEQLUJFY-BEFAXECRSA-N 366.417 2.995 50 1 FFGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OCC(C)C)C[C@](C)(OO)[C@@H]1C(=O)C=C(C)[C@H]21 2356460152 LEAHFVKYKVNWRT-OTHAQHGQSA-N 350.411 2.539 50 1 FFGF CC(C)C1=C(O)[C@H]2OO[C@@H]3CC4=C(COC4=O)[C@@H]4CCC(=C2[C@]43C)C1=O 95919253 CBMVHIJDYZYUER-KIOZCILKSA-N 358.390 2.706 50 1 FFGF biogenic,in-vitro Cc1cc(SCC(=O)NN/C=C2/C=CC(=O)C(O)=C2)nc2ccccc12 13126055 NJQFMQSMFANFHY-RAXLEYEMSA-N 367.430 2.721 50 3 FFGF O=c1n(-c2ccc3c(c2)OCO3)c2ncccc2n1C(F)(F)[C@@H](F)Cl 169320901 QAWSQSVMPROEDB-CYBMUJFWSA-N 371.702 3.000 50 1 FFGF CS(=O)(=O)c1ccc(CC2CCC3(CC2)OOCCCOO3)cc1 43617352 XIUIJBYYOVJZRB-UHFFFAOYSA-N 356.440 2.819 50 1 FFGF CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@H]2[C@@H](C=O)C1=C(C=O)C(=O)O 2356504947 LMDFIBIKBBICGI-UFAGZECESA-N 366.417 2.502 50 1 FFGF CN(C)CCSSCCCNC(=O)c1cc(-c2cccnc2)no1 618017404 PWBXMUPNJCRZMT-UHFFFAOYSA-N 366.512 2.800 50 1 FFGF O=CC1=COc2ccccc2[C@]12N[C@H](C(=O)O)Cc1c2cnc2ccccc12 963229269 JRNRIVFULXATPJ-SIKLNZKXSA-N 372.380 2.553 50 1 FFGF CCOCCOC(=O)/C(C#N)=C(\NCc1cc(C(C)C)no1)SC 103220917 NCENLEGOWNSLRM-FYWRMAATSA-N 353.444 2.565 50 1 FFGF CC[C@H](NC1=C(N=C2C=CC=C(C#N)C2=O)NSN1)c1ccc(C)o1 2356705149 XXEHSVURGZZDBS-LBPRGKRZSA-N 355.423 2.541 50 1 FFGF CS/C(NCc1ccc(Cl)nc1)=C(/C#N)C(=O)OC[C@H]1CCCO1 103185262 AGVSEXVXEIXTCE-GMXMXKFQSA-N 367.858 2.645 50 1 FFGF CO[C@H]1C[C@H]2C(=C[C@H]1Br)[C@H]1CN2Cc2cc3c(cc21)OCO3 1857645486 DZHIKBOIRGXZSW-XGUBFFRZSA-N 364.239 2.805 50 1 FFGF COc1cc([C@@H]2Oc3c(OC)cc(C=CC=O)cc3[C@H]2CO)cc(O)c1O 2356741511 USSBRSIZHILPBL-KUHUBIRLSA-N 372.373 2.537 50 1 FFGF N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)c1nc2ccccc2[nH]1 1857615657 WWLIYPHVHJCFES-BJMVGYQFSA-N 350.290 2.672 50 1 FFGF NNC(=O)c1ccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2c1 587133961 GJELSZJCVIPMRS-UHFFFAOYSA-N 356.304 2.679 50 1 FFGF COc1cc2c3c(c1)O[C@](CBr)([C@@H]1CCOC1)[C@@H](C2)C3=O 587413387 NULQRKNOJKLWLC-RSAASHCRSA-N 353.212 2.613 50 1 FFGF COc1cccc(NCC(=O)N/N=C/c2c(Cl)cncc2Cl)c1 201289326 SKZTUPIPRLPDKY-CGOBSMCZSA-N 353.209 2.959 50 1 FFGF CCOCCC(=O)N/N=C/c1c(C(=O)OCC)[nH]c2cc(Cl)ccc12 1857600586 RXFSRYGYLHOFKA-VXLYETTFSA-N 365.817 2.875 50 1 FFGF CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@@H]1n1cc(CCCCl)nn1 299834319 SGCYUVORERTVIJ-SFHVURJKSA-N 371.824 2.976 50 1 FFGF C/C(=N/NC(=O)c1ccc(C(=O)N/N=C(/C)c2ccco2)o1)c1ccco1 5408022 NXIIFFNOFFTBRV-YZLQMOBTSA-N 368.349 2.774 50 1 FFGF O=C(O)CCCCCCC(=O)N/N=C/c1ccncc1Br 95809006 CXTQZGPBUWCXJF-RQZCQDPDSA-N 356.220 2.719 50 1 FFGF Cn1/c(=N/NC(=O)c2ccco2)sc2cc(OC(F)(F)F)ccc21 53193462 KBFIWWJDUXRISV-UYRXBGFRSA-N 357.313 2.977 50 1 FFGF O=C(CBr)NCCc1c(Br)[nH]c2ccccc12 29339948 PXAHVZVVAMSBEJ-UHFFFAOYSA-N 360.049 2.984 50 1 FFGF COC(=O)[C@]1(CCCCl)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962642435 URCJNGGWQDTHJK-SGTLLEGYSA-N 355.862 2.968 50 1 FFGF O=C(CCl)Nc1ccc(CCN2C(=O)C[C@@H](c3ccccc3)C2=O)cc1 105334101 KXXYLPCTTKPVOB-KRWDZBQOSA-N 370.836 2.949 50 1 FFGF NNC(=O)c1cc(-c2ccccc2)nn1-c1ccc(Br)cc1 957578452 ZTFFYZZMLKWWSJ-UHFFFAOYSA-N 357.211 2.905 50 1 FFGF O=C(CCC(=O)Nc1ccc(F)cc1)NN/C=C1\C=Nc2ccccc21 15953310 YRTBOCJVLDNHQY-OUKQBFOZSA-N 352.369 2.922 50 3 FFGF N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)n1cnc2ccccc21 1857541895 NSXGNTIAELNICM-VZUCSPMQSA-N 350.290 2.603 50 1 FFGF Nc1ccc(C(=O)NN2C(=O)[C@H](Cl)[C@H]2c2ccc(Cl)cc2)cc1 1633080 YKDWSLZKAPVLDU-ZIAGYGMSSA-N 350.205 2.758 50 3 FFGF COc1ccc2c(c1)c(CC(=O)NN)c(SC)n2Cc1ccccc1 13445896 PJKBTOULLDNRAI-UHFFFAOYSA-N 355.463 2.953 50 1 FFGF O=C(Cn1nnc(/C=C/c2ccccc2)n1)N/N=C/c1ccc(Cl)cc1 1857603166 HQYYPCCTYHXZFC-JOESBUEISA-N 366.812 2.647 50 1 FFGF CC(=CC[C@H](O)[C@@](C)(Cl)CBr)[C@H](O)CBr 2356723427 IUOFNEYPSNEOOA-UTLUCORTSA-N 364.505 2.832 50 1 FFGF COc1ccc([C@@]2(CCl)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cc1 963474608 WVXDKBFRIOJGDY-QFBILLFUSA-N 361.825 2.791 50 1 FFGF COc1ccc2occ(CCNC(=O)CI)c2c1 13781796 CNWWHQZKXFHXMX-UHFFFAOYSA-N 359.163 2.535 50 1 FFGF O=C1N[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1CCBr 27523426 MCFWNXPOEKLEQT-SNVBAGLBSA-N 365.149 2.563 50 1 FFGF CN(C)CCSSCCN(C)C(=O)c1ccc2nc(O)oc2c1 618011767 CDAZDQCZDAPIOH-UHFFFAOYSA-N 355.485 2.548 50 1 FFGF CCOC(=O)c1cc(C[N+](C)(CCCl)CCCl)c([N+](=O)[O-])n1C 43871905 PLJFJJPMJJLOTF-UHFFFAOYSA-N 367.253 2.534 50 1 FFGF C[S@](=O)c1ccc(CO[P@](N)(=O)N(CCCl)CCCl)cc1 5808053 YXGJUDKWFMTARJ-LEWJYISDSA-N 373.242 2.787 50 1 FFGF CCCc1c(O)ccc2c1O[C@]1(C=NN(CC)C(=O)[C@@H]1Cl)CC2=O 587461345 MLLJATAIKNGUGB-RDJZCZTQSA-N 350.802 2.504 50 1 FFGF NNC(=O)[C@H]1Cc2cc(C(=O)c3cccs3)c(Cl)c(Cl)c2O1 27996691 FGJAFLNMJCWJOC-MRVPVSSYSA-N 357.218 2.579 50 1 FFGF O=C(CI)/C(Br)=C/Br 238781799 KYMVYIJRYRKXIH-IWQZZHSRSA-N 353.779 2.622 50 1 FFGF CCCc1c(O)ccc2c1O[C@]1(C=NN(CCC)C(=O)[C@@H]1Cl)CC2=O 587462777 SQIXPNLIYOYNFK-WMZOPIPTSA-N 364.829 2.894 50 1 FFGF CC[C@@]1(Cc2nc3ccc(C(=O)NN)cc3[nH]2)CC(=O)c2ccccc2C1 587959749 HGYVAEFAXBKEHO-NRFANRHFSA-N 362.433 2.934 50 1 FFGF CN1CCN(c2nccc(/C(C#N)=C3\Nc4ccccc4S3)n2)CC1 13647696 QSCIHIUXJBDUGB-GHRIWEEISA-N 350.451 2.638 50 1 FFGF O=C(N/N=C(COc1ccccc1)\N=C\c1cccnc1)c1ccncc1 6004627 KNOYUSNIBWOQLM-QHICRJRMSA-N 359.389 2.718 50 1 FFGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cnnn2C)N1 587684035 JPSJXMIXEGMZCD-XLKFXECMSA-N 373.657 2.733 50 1 FFGF O=CC1=COc2ccccc2[C@@]12N[C@@H](C(=O)O)Cc1c2cnc2ccccc12 963229266 JRNRIVFULXATPJ-KNQAVFIVSA-N 372.380 2.553 50 1 FFGF C/C(=N\NC(=O)NNC(=S)Nc1ccccc1Cl)c1ccccn1 13650692 VCVUIETUULEIFI-VXLYETTFSA-N 362.846 2.660 50 1 FFGF CC1(C)C[C@H]([C@]2(Cl)CC[C@](O)(CO)[C@H]3O[C@H]32)CC[C@@H]1Br 238779225 JGPJLMXMBSKQBH-NBVFDPJVSA-N 367.711 2.838 50 1 FFGF CN(C)CCSSCCCNC(=O)Cc1c[nH]c2ncccc12 618017047 ANADOEUOARRYSG-UHFFFAOYSA-N 352.529 2.555 50 1 FFGF CN(C)S(=O)(=O)c1cccc2nc(/C(C#N)=C/c3ccccc3)[nH]c12 587189191 ZEXNQEUFYOVNQI-SDNWHVSQSA-N 352.419 2.877 50 1 FFGF O=C(CCCCCC(=O)N/N=C/c1ccc(-c2ccccn2)cc1)NO 209735339 JIUXQGFMZKHYME-KGENOOAVSA-N 354.410 2.655 50 1 FFGF CC(C)C1=C(O)[C@@H]2OO[C@@H]3CC4=C(COC4=O)[C@H]4CCC(=C2[C@]34C)C1=O 2356353749 CBMVHIJDYZYUER-HNDQOOCDSA-N 358.390 2.706 50 1 FFGF CC(C)(C)OC(=O)N[C@@H](CCCCCB(O)O)C(=O)Nc1ccccc1 195262904 FKBWUXUDEOTQEN-HNNXBMFYSA-N 364.251 2.552 50 1 FFGF C[C@H](O[Si](C)(C)C)[C@H]1C=C[C@H](C)n2c(=O)n(-c3ccccc3)c(=O)n21 254140626 AJRYFWHAPFUXFO-OFQRWUPVSA-N 359.502 2.713 50 1 FFGF CC1(C)CC(=O)C2=C(C1)N1CCc3ccccc3[C@H]1CC2=NNC(N)=O 2356697638 KRJRTJDGLJQBTE-OAHLLOKOSA-N 352.438 2.657 50 1 FFGF O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@H](Cl)[C@@H]1c1ccco1 103219547 RGSGHIJNJFBWSX-YPMHNXCESA-N 350.161 2.780 50 1 FFGF O=C(O)CNCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 43569681 JGDNBNLFSMCTNF-UHFFFAOYSA-N 351.443 2.678 50 1 FFGF O=C(NNS(=O)(=O)c1ccccc1)c1cc2cc(Cl)ccc2o1 36184828 JNFQSGVBUUEPHJ-UHFFFAOYSA-N 350.783 2.710 50 1 FFGF Oc1ccc([C@H]2Oc3cc(O)c(Cl)c(O)c3[C@@H](Cl)[C@H]2O)cc1O 29338071 VCXPPWLVMKLPIT-BPLDGKMQSA-N 359.161 2.937 50 1 FFGF CCNCCO[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 1911573224 IOGSPFBUSRIKQB-LWIWOBKBSA-N 355.475 2.821 50 1 FFGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1nonc1C)O2 587374048 NSCXAJYXQOYPBX-AWEZNQCLSA-N 352.188 2.524 50 1 FFGF O=C1N[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1CCBr 27523425 MCFWNXPOEKLEQT-JTQLQIEISA-N 365.149 2.563 50 1 FFGF COC(=O)C(=O)[C@H](Cl)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587499066 QSHAQSITYHPSKF-FUHWJXTLSA-N 350.798 2.639 50 1 FFGF COc1cc2c3c(c1)O[C@@]1(CCC[C@H](Br)C1=O)[C@@H](C2)C3=O 587417701 OUCITQGMWQLXRC-MMPTUQATSA-N 351.196 2.698 50 1 FFGF COc1cc2c3c(c1)O[C@]1(CCC[C@@H](Br)C1=O)[C@@H](C2)C3=O 587417700 OUCITQGMWQLXRC-LYOVBCGYSA-N 351.196 2.698 50 1 FFGF NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)cc1 15933710 REMBLIRVWWMSOX-ZVHZXABRSA-N 373.412 2.982 50 1 FFGF O=C(NNS(=O)(=O)c1ccccc1F)c1ccnc(-c2ccccc2)c1 1857596973 XMKKNNBRFGQVKU-UHFFFAOYSA-N 371.393 2.511 50 1 FFGF COc1ccc(/C=N/NC(=O)c2ccc3nc(C)[nH]c3c2)c(OC)c1OC 1772618063 ZYGSGRRNMIWNRP-KEBDBYFISA-N 368.393 2.661 50 1 FFGF Nc1ccc2c3c(cccc13)C(=O)N([C@@H]1C[N+]3(CCl)CCC1CC3)C2=O 28017351 ZOQKKUXZHIYKSU-YQRRKNGUSA-O 370.860 2.823 50 1 FFGF COc1ccc(CN2CCN(C(=O)Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 49766756 NDVIGXHZJAFVKL-UHFFFAOYSA-N 371.393 2.920 50 1 FFGF CCOC(=O)[C@]1([C@H](C)Br)CC(=O)c2cc(C)cc(N)c2O1 587374586 PEVHIVILJCZYDA-BJOHPYRUSA-N 356.216 2.628 50 1 FFGF COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc(N)c3C)cc2c1OCO2 38153926 TXCZPUUPCZNYAT-MRXNPFEDSA-N 351.362 2.533 50 1 FFGF COc1cc([C@H]2Oc3c(OC)cc(C=CC=O)cc3[C@@H]2CO)cc(O)c1O 2356741510 USSBRSIZHILPBL-IFXJQAMLSA-N 372.373 2.537 50 1 FFGF Cc1cc2c(cc1O)[C@](CBr)(C1CCC1)N[C@H](C(=O)O)C2 963511025 ROPIWAOCFCQPPT-BBRMVZONSA-N 354.244 2.690 50 1 FFGF C#CCOC(=O)C[C@@H]1C(C#N)=C(N)Oc2ccc(-c3cccc(N)c3)cc21 95559282 DMBLDPFGTOTYKB-INIZCTEOSA-N 359.385 2.672 50 1 FFGF Cc1ccc(-c2noc(C(=O)N/N=C/c3ccc4c(c3)OCO4)n2)cc1 95572647 NNGUYPLEUUTQBD-DJKKODMXSA-N 350.334 2.538 50 1 FFGF CC(=O)O[C@@]1(C)CC[C@@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 100833487 CQFIPESXGGQKLO-UBDQQSCGSA-N 368.451 2.671 50 1 FFGF CC[C@@H](Br)C(=O)Nc1ccc(C2=NNC(=O)C[C@H]2C)cc1 27890851 JVYOZQDPPFGVCU-BXKDBHETSA-N 352.232 2.659 50 1 FFGF N[C@H](Cc1c[nH]c2ccccc12)C(=O)NN=Cc1cccc2cccnc12 2356756127 VUVBBCXTQOLSSB-GOSISDBHSA-N 357.417 2.736 50 1 FFGF COc1ccc(Cl)c2c1CCN[C@@]2(CCl)c1cc(C(N)=O)co1 963257065 GMZFYVTWRIOBEH-INIZCTEOSA-N 355.221 2.669 50 1 FFGF CN(C)CCSSCCNC(=O)Nc1nnc(C(C)(C)C)s1 618007560 FXQUJBNFICTWGI-UHFFFAOYSA-N 363.578 2.900 50 1 FFGF CCCCN1C(=O)/C(=N\NC(=O)c2ccccc2)c2ccc(OC)cc21 40957688 WADRTXVLNHGPCZ-UZYVYHOESA-N 351.406 2.976 50 1 FFGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cn(C)nc1C)O2 587371397 DGNHXTBQSXUQOB-MRXNPFEDSA-N 364.243 2.875 50 1 FFGF C#CC=CC[C@@H]1O[C@H]2C[C@H]1O[C@H](CC)[C@H](Br)C[C@@H]2OC(C)=O 2356542894 BIUSEKZVPMEEEN-BPXZUEPWSA-N 371.271 2.986 50 1 FFGF COc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(C)cc3)CC2=O)cc1 826001 ZRUDTCNQWQGVLA-GKXUUXLPSA-N 351.406 2.507 50 3 FFGF CN(C)CCSSCCNC(=O)c1cccc(-c2ncccn2)c1 618009003 OHYAMGIFJWBBED-UHFFFAOYSA-N 362.524 2.816 50 1 FFGF CCOC(=O)[C@H](Cl)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541885 DQUHVBDCZXGWOJ-VBQJREDUSA-N 362.765 2.893 50 1 FFGF Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@H]([C@](C)(O)CCl)O3 14689052 PGOOUZZLZBIMRI-DNVCBOLYSA-N 359.809 2.691 50 1 FFGF endogenous,in-man Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(C(=O)NN)ccc2[nH]1 587147284 KGBVSUDSDJIVRQ-UHFFFAOYSA-N 368.347 2.512 50 1 FFGF COc1ccc2c(c1)[C@@H](CO)[C@H](c1cc(O)c(C=CC=O)cc1OC)O2 2356508924 UYQOLTUJESFUSW-UZLBHIALSA-N 356.374 2.831 50 1 FFGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OCC(C)C)C[C@](C)(OO)[C@H]1C(=O)C=C(C)[C@H]21 2356460151 LEAHFVKYKVNWRT-KHNHKFQDSA-N 350.411 2.539 50 1 FFGF C/C(=N\NC(=O)c1ccncc1)c1cccc(CN2CCCCC2)c1O 103242071 BWKNKNUVJAMNHZ-PXLXIMEGSA-N 352.438 2.927 50 1 FFGF CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(S(C)(=O)=O)cc1 653829497 MYKHDMFSGIWZDF-INIZCTEOSA-N 372.446 2.541 50 1 FFGF CCCC[C@]1(c2ccc(F)c(B(O)O)c2)NCCc2c1sc(C)c2C 963008785 KCQCDSPVLMGYOP-LJQANCHMSA-N 361.291 2.763 50 1 FFGF Cc1ccc(F)c(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1 1857615181 ICSOMDBWJCXANU-UHFFFAOYSA-N 358.394 2.911 50 1 FFGF CC[C@@]1(C(=O)OC(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792015 KSWOCXAINSIWBM-VXJOIVPMSA-N 358.207 2.817 50 1 FFGF NNC(=O)c1ccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2c1 587120407 HVGHGJSMZHHASG-UHFFFAOYSA-N 360.299 2.729 50 1 FFGF BrCC[n+]1ccc(-c2cc[n+](CCBr)cc2)cc1 1763120 AHJKICYXRRBUAQ-UHFFFAOYSA-N 372.104 2.718 50 1 FFGF CC1(C)N(O)c2ccc(COc3ccccc3/C=N\NC(N)=O)cc2[N+]1=O 377466644 RDZCKPHBIQWDAA-JMIUGGIZSA-O 370.389 2.624 50 1 FFGF CC(=O)OC[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544619 OOXCZNATERPWCQ-CRAIPNDOSA-N 362.765 2.895 50 1 FFGF CCOC(=O)CO[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 169340179 VADVVZYGPHZHGC-VXKCIIDGSA-N 370.442 2.774 50 1 FFGF COc1ccc2cccc(CCNC(=O)CI)c2c1 13738639 DNMVMHOPCNFGIC-UHFFFAOYSA-N 369.202 2.942 50 1 FFGF CCCCC(=O)Oc1c(O)ccc(/C=N/NC(=O)c2ccc(O)cc2)c1O 1772627626 YXVLYUIUUCXCMR-RGVLZGJSSA-N 372.377 2.663 50 1 FFGF O=C(CCl)N[C@H]1CCCCN(Cc2cccc(C(F)(F)F)c2)C1=O 199411982 RDXNKLSQHKQEFU-ZDUSSCGKSA-N 362.779 2.942 50 3 FFGF COC(=O)/C(Br)=C(\C#Cc1cc(Cl)ccc1OC)C=O 587898375 HAVQEVVJHHJCBD-RAXLEYEMSA-N 357.587 2.721 50 1 FFGF CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(C=C(C#N)C#N)c1 33505332 MYXSGAPVWQQOGU-UHFFFAOYSA-N 360.417 2.973 50 1 FFGF COc1ccc([C@@H]2Oc3ccc(/C=C/C=O)cc3O[C@H]2CO)cc1OC 653688007 PARYRHHOYYLEBN-LOKQZNEXSA-N 356.374 2.789 50 1 FFGF O=C(NN/C=C1\C=CC(=O)c2ncccc21)c1cccc(Br)c1 13125613 IBKVLFLOWVZGBY-ZRDIBKRKSA-N 370.206 2.872 50 3 FFGF C=C1C(=O)O[C@H]2[C@@H]1[C@@H](OC(=O)C(C)=CC)CC(=C)[C@@H]1C=C[C@](C)(OO)[C@H]21 2356444000 GNCLTABIHJGZSJ-QXKNQTRRSA-N 360.406 2.973 50 1 FFGF C[C@@H]1CC[C@H]2[C@@](C)(COC(=O)CCl)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 103192717 ATMNLOGYWSASKK-VUOLDRKBSA-N 360.834 2.773 50 1 FFGF N#C/C=C/S(=O)(=O)c1ccc(C2(C(=O)NC3CCCCC3)CC2)cc1 147442854 VJMISASSULAJAX-LNKIKWGQSA-N 358.463 2.978 50 1 FFGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cnn(C)n2)N1 587684493 KPMCEJMEXFKKNY-RTHLEPHNSA-N 373.657 2.733 50 1 FFGF CC[C@@H]1C[C@]2(CC)OC(=CC(=O)OC)[C@]3(CC)OO[C@H]([C@H](C)O)[C@@H]1[C@H]23 2356732935 HXBJHHAGBLMCAA-WUMZLBSHSA-N 354.443 2.745 50 1 FFGF CC(C)C[C@@]1(c2ccc(B(O)O)cc2)c2ccc(F)cc2C[C@@H]2CCCN21 963100658 IPYIZIUWMGAQOE-RBBKRZOGSA-N 367.273 2.816 50 1 FFGF O=[N+]([O-])c1ccc2c(c1)N[P@@](=O)(N(CCCl)CCCl)NC2 140572366 WREBUAIDSYUURU-OAQYLSRUSA-N 353.146 2.998 50 1 FFGF C/C(=N/NC(=O)c1ccncc1)c1cccc(CN2CCCCC2)c1O 28528673 BWKNKNUVJAMNHZ-JCMHNJIXSA-N 352.438 2.927 50 1 FFGF CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c34)C2=C2OC(=O)C(C=O)=C21 14594497 WTWCPWQXRBJBIQ-LLVKDONJSA-N 364.401 2.795 50 1 FFGF biogenic O=C1C=CC(Br)=C/C1=C\NNC(=O)c1ccccc1Cl 13126138 HLKRVYUJOZZFLB-CMDGGOBGSA-N 353.603 2.876 50 3 FFGF C[C@H]1[C@@H](OCCN(C)C)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 43682639 JWJDQOMUVHWFAI-WKOPZNNSSA-N 355.475 2.773 50 1 FFGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@](CCl)(c2ncccc2F)N1 963232457 NUWYFFMEUQFJRY-QFBILLFUSA-N 371.799 2.850 50 1 FFGF N#C/C=C1/c2ccccc2N=C(N2CCN(CCO)CC2)c2ccccc21 40655860 LTQPGSJBWLJZRK-GIJQJNRQSA-N 358.445 2.643 50 1 FFGF [C-]#[N+][C@H]1C[C@@H](CF)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1 261127952 KOATWBCWUUMFRB-BPNCWPANSA-N 360.368 2.858 50 1 FFGF NNC(=O)c1cccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587661332 XJIWYMBGSNDKNM-UHFFFAOYSA-N 374.375 2.795 50 1 FFGF CCc1ccc(/C=C(C#N)/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1 103229556 PZZRAXCFUTYGRF-PVRNWPCDSA-N 358.444 2.985 50 1 FFGF [C-]#[N+][C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(CC(=O)O)cc2)n1 261077806 BEQUXPWABQNQFH-HOTGVXAUSA-N 367.409 2.756 50 1 FFGF CC(=O)NCc1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)o1 587372546 MJIBOXQJVJBNJO-SFHVURJKSA-N 362.813 2.906 50 1 FFGF CCOC(=O)C[C@]1(CBr)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587414485 MMECTGSHNRYKSL-BDJLRTHQSA-N 369.211 2.530 50 1 FFGF O=C(N/N=C/c1cccnc1)c1cc2cc(Br)ccc2oc1=O 1857749553 FWKCFKVDLXMETK-DJKKODMXSA-N 372.178 2.714 50 1 FFGF N#CSC[C@]1(c2ccccc2O)N[C@H](C(=O)O)Cc2cc(F)ccc21 962897820 NKKDKDPNFIPTJQ-YJBOKZPZSA-N 358.394 2.588 50 1 FFGF COc1ccc2c(c1OC)[C@@](CBr)(C(C)=O)N(C)[C@@H](C)C2 962619537 DJVNUDYWBAEQGW-MGPLVRAMSA-N 356.260 2.759 50 1 FFGF NNC(=O)c1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1 587092617 XHYKZUJECZXCMS-UHFFFAOYSA-N 367.356 2.883 50 1 FFGF O=C(O)CCCCCC(=O)N/N=C/c1cc(O)ccc1Br 95808465 FMXLYWQDYAONDZ-CXUHLZMHSA-N 357.204 2.640 50 1 FFGF O=C(N/N=C/c1cccc(Cl)c1Cl)c1ccccc1P(=O)(O)O 1911577933 KSGYLFZUMNXFMH-CAOOACKPSA-N 373.132 2.560 50 1 FFGF CCOC(=O)c1[nH]c2ccc(C)cc2c1/C=N\NC(=O)c1ccncc1 653708667 KZZSAIBGBJKXGU-NHDPSOOVSA-N 350.378 2.812 50 1 FFGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCC(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103187396 KHTHPEVRKLTPJZ-UDBWOWTPSA-N 356.415 2.686 50 1 FFGF CCOC(=O)CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 43242289 VADVVZYGPHZHGC-LKQXGUGWSA-N 370.442 2.774 50 1 FFGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=C(CCl)OCC2=O 587547003 RTBRJGPVVRZHCB-VQIMIIECSA-N 372.760 2.815 50 1 FFGF NC(=O)c1cc(C(=O)CBr)cc(C(=O)Nc2ccccc2)c1 29055651 XJKUQYKHCFEWQR-UHFFFAOYSA-N 361.195 2.615 50 1 FFGF C[C@@H]1CC[C@H]2[C@@](C)(O)[C@H](OCC3CC3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 1911570734 MSYSLRQHRWTBCY-CZJFZFLNSA-N 354.443 2.736 50 1 FFGF Cc1ccc2oc(=O)cc(CC(=O)N/N=C/c3cccc([N+](=O)[O-])c3)c2c1 40406720 UEMGTAKWYNDMTF-RGVLZGJSSA-N 365.345 2.702 50 1 FFGF Cc1ccc(C=NNC(=O)c2nnn(Cc3ccc(Cl)cc3)c2N)cc1 957608701 BOWJXZYBCKPOGU-UHFFFAOYSA-N 368.828 2.634 50 1 FFGF CN(C)c1cc[n+](/C(C=C(C#N)C#N)=C(/O)c2ccc([N+](=O)[O-])cc2)cc1 96933740 ZAFBVNGLXFNXBB-VHEBQXMUSA-O 362.369 2.806 50 1 FFGF O=C(CBr)NCCc1nc2cc(Cl)c(Cl)cc2[nH]1 586970865 HVTNGSIHDPNYOW-UHFFFAOYSA-N 351.031 2.923 50 1 FFGF COc1cc(/C=N/NC(=O)c2ccc3nc(C)[nH]c3c2)cc(OC)c1OC 1772578601 YSPWSBKNZZVEOC-KEBDBYFISA-N 368.393 2.661 50 1 FFGF CO[C@@H]1C(=O)N(C/C(C#N)=C/c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2 1772603221 IHGDABGSUWZKPI-OHEHLGFBSA-N 362.385 2.921 50 1 FFGF O=C1[C@@H](Cl)[C@H](c2ccccc2Cl)N1n1cnc2ccccc2c1=O 1632100 UTFVGRNGKLFYML-GJZGRUSLSA-N 360.200 2.877 50 1 FFGF CC(C)(C)OC(=O)NN(c1nc(C#N)ncc1Br)C1CCC1 58575715 MUESRGKTAQIBBH-UHFFFAOYSA-N 368.235 2.909 50 1 FFGF COc1cccc(OCC(=O)N/N=C(\C)C/C(O)=N\Cc2ccco2)c1 64261546 BHIVMLFUMHLZLU-DEDYPNTBSA-N 359.382 2.706 50 1 FFGF COc1cc2c3c(c1)O[C@](CNC(=O)CCl)(c1ccccc1)[C@@H](C2)C3=O 587420301 HUVSRLATZZEFCG-MGPUTAFESA-N 371.820 2.693 50 1 FFGF C[S@@](=O)c1ccc(CO[P@@](N)(=O)N(CCCl)CCCl)cc1 102949736 YXGJUDKWFMTARJ-RTWAWAEBSA-N 373.242 2.787 50 1 FFGF CN(C)CCSSCCNC(=O)c1cncc(Br)c1 618009059 RBLKPXORCDPMSZ-UHFFFAOYSA-N 364.334 2.517 50 1 FFGF CC[C@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2[C@@H](C=O)/C1=C(/C=O)C(=O)O 238743270 LMDFIBIKBBICGI-ZUKSMQOASA-N 366.417 2.502 50 1 FFGF C/C(NNC(=O)CCCCCNC(=O)c1ccccc1)=C1/C=CC=CC1=O 13119181 GQZZHUABEVECFG-FBMGVBCBSA-N 367.449 2.567 50 3 FFGF CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc(F)cc2)c(O)c1 3580719 XXYQZBSMTKNREZ-CIAFOILYSA-N 359.401 2.907 50 1 FFGF O=C1OC(=O)C(=C\c2ccc3c(c2)OCO3)/C1=C/c1ccc2c(c1)OCO2 73242710 WLQGATXUBPNDGZ-GFIWHYBVSA-N 364.309 2.694 50 1 FFGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cnnn2C)N1 587687016 YLRJBJYUYJDHMI-XLKFXECMSA-N 373.657 2.733 50 1 FFGF COc1ccc(NC(=S)NNC(=O)c2nsc3ccccc23)cc1 6411109 IYYFUMJXKUSRCA-UHFFFAOYSA-N 358.448 2.936 50 1 FFGF CCN(CC)C(=O)c1cccc(C(=O)N/N=C2\CCc3cccc(O)c32)c1 1857618780 PEHLKMGIWNLVAL-OQKWZONESA-N 365.433 2.955 50 1 FFGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cnon1 587544115 MNGJIJROEXDDEO-WMLDXEAASA-N 358.737 2.871 50 1 FFGF Cc1nc(N2NC(c3ccco3)=C[C@@H]2c2cccs2)sc1C(=O)NN 958043833 JFYGYFWOWMSBME-LLVKDONJSA-N 373.463 2.817 50 1 FFGF COC(=O)[C@@H]1[C@@H](OC(=O)c2ccc(N=C=S)cc2)C[C@H]2CC[C@H]1N2C 100645030 JZGFOMFCWSMVHI-WCVJEAGWSA-N 360.435 2.602 50 1 FFGF COc1cccc2c(=O)c3c(OC)cc(OC[C@@H](O)CCl)cc3oc12 64516549 OATYUWRLHMABME-JTQLQIEISA-N 364.781 2.942 50 1 FFGF Cc1ccc2c(c1)[C@H](N[C@H](Cc1ccccc1)C(=O)O)[C@H](Cl)C(=O)O2 263592473 ADWQHMXRYKUWAT-PVAVHDDUSA-N 359.809 2.848 50 1 FFGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cnn(C)n2)N1 587686345 UBPRXXHKKJWMSK-XLKFXECMSA-N 373.657 2.733 50 1 FFGF CC[C@]1(Cc2nc3ccc(C(=O)NN)cc3[nH]2)CC(=O)c2ccccc2C1 587959750 HGYVAEFAXBKEHO-OAQYLSRUSA-N 362.433 2.934 50 1 FFGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cnnn2C)N1 587684033 JPSJXMIXEGMZCD-RMLUDKJBSA-N 373.657 2.733 50 1 FFGF CCC(=O)NNC(=O)c1cc(COc2cc(Cl)cc(Cl)c2)on1 1047345 BAYMIIBFQAXUOM-UHFFFAOYSA-N 358.181 2.731 50 3 FFGF O=C(CBr)C(Br)(Br)Br 14722004 WQZLUKNOWXXMFL-UHFFFAOYSA-N 373.664 2.789 50 1 FFGF biogenic COc1ccc(/C=N/NC(=O)Cc2cc(=O)oc3ccc(C)cc23)cc1 40918959 POUWOAJXUODXNR-CIAFOILYSA-N 350.374 2.803 50 1 FFGF COc1cc(O)cc([C@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@@H]2CO)c1 238781921 ULBMBMMLJNHZBG-HECAZONMSA-N 356.374 2.831 50 1 FFGF CCOC(=O)C[C@@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 587376363 XCPWZCJIVFSDCD-OAHLLOKOSA-N 356.216 2.629 50 1 FFGF OCC1=CC=C(CSc2nnnn2-c2ccc(O)cc2)SS1 6536428 ZZJSZGSWLKUGQF-UHFFFAOYSA-N 352.466 2.615 50 1 FFGF O=C(Cc1ccc(O)cc1)N/N=C1\C(=O)Nc2ccc(Cl)c(Cl)c21 72178394 KPTQLCWTIMDDSN-UHFFFAOYSA-N 364.188 2.714 50 1 FFGF CC1=C([C@H](OC(=O)CC(C)C)[C@]2(C)C(C=O)=CCC[C@@H]2C)[C@@H](O)OC1=O 14509158 QQZGFNTYFXIZMI-BRUFTZQQSA-N 364.438 2.698 50 1 FFGF biogenic CC(=O)N1CC(=NNC(=O)[C@H](C)Nc2c(C)cccc2C)c2ccccc21 252618696 LJVBZYDJKQFPJG-HNNXBMFYSA-N 364.449 2.991 50 1 FFGF CS/C(NCc1ccc(Cl)nc1)=C(/C#N)C(=O)OC[C@@H]1CCCO1 103185259 AGVSEXVXEIXTCE-AHAXBBEGSA-N 367.858 2.645 50 1 FFGF COC(=O)[C@H](Cl)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544543 OBYYSWXGZWTNMC-QANKJYHBSA-N 362.765 2.893 50 1 FFGF Cc1[nH]n(C)c(=O)c1/C(=N/C(=O)C(Cl)Cl)c1cccc(Cl)c1 169328127 SDBCYPPQUUWMKW-WOJGMQOQSA-N 360.628 2.843 50 1 FFGF NNC(=O)[C@@H]1Cc2cc(C(=O)c3cccs3)c(Cl)c(Cl)c2O1 27996687 FGJAFLNMJCWJOC-QMMMGPOBSA-N 357.218 2.579 50 1 FFGF COC(=O)/C(C#Cc1cc(Cl)ccc1OC)=C(/Br)C=O 587898427 IFIVOHZHQAQLAC-VAWYXSNFSA-N 357.587 2.721 50 1 FFGF COc1cc(O)c2c(c1)C(=O)c1cc(CBr)cc(O)c1C2=O 29341341 LGADVNQDDJUGOR-UHFFFAOYSA-N 363.163 2.777 50 1 FFGF COc1cccc2c(=O)c3c(OC)cc(OC[C@H](O)CCl)cc3oc12 64516545 OATYUWRLHMABME-SNVBAGLBSA-N 364.781 2.942 50 1 FFGF COC(C)(C)[C@@H](Br)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 586970735 FOJIMZKIBHVANQ-JTQLQIEISA-N 363.233 2.671 50 1 FFGF CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccc3c(c1)COO3)[C@H](C)N2 101271804 OCWOFXSFJZWUTO-VIFPVBQESA-N 369.381 2.991 50 1 FFGF O[C@H](CCl)CNc1nc2ccnc(-c3cccc(C(F)(F)F)c3)n2n1 28246039 WCAJZEHADFXYPQ-LLVKDONJSA-N 371.750 2.822 50 1 FFGF O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(F)c1F 1857555641 CZAVTENZZQJZMH-UHFFFAOYSA-N 362.357 2.741 50 1 FFGF O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1cccnc1 95808351 NKLXBFDDOVNUQY-KGENOOAVSA-N 354.410 2.827 50 1 FFGF COC(=O)/C(C#Cc1cc(Cl)ccc1OC)=C(\Br)C=O 587898426 IFIVOHZHQAQLAC-QXMHVHEDSA-N 357.587 2.721 50 1 FFGF Cc1c(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])c2ccccc2n1C 13108384 NABMDQDAWPYUPV-JAIQZWGSSA-N 366.377 2.924 50 1 FFGF C[C@H]1C(=O)N(C)c2ccc(C(=O)NNc3ccccc3)cc2N1C1CC1 1857755495 IRWPMKSJWLDNDY-ZDUSSCGKSA-N 350.422 2.777 50 1 FFGF Cc1nc(N2NC(c3ccco3)=C[C@H]2c2cccs2)sc1C(=O)NN 958043834 JFYGYFWOWMSBME-NSHDSACASA-N 373.463 2.817 50 1 FFGF COc1cccc2c1O[C@H]1C=C(OC[C@@](C)(O)CCl)C=C(O)[C@@H]1C2=O 169293096 QWMGLPOWAGDAGL-MPGHIAIKSA-N 366.797 2.601 50 1 FFGF CCNCCO[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 43889093 IOGSPFBUSRIKQB-HARLHBKBSA-N 355.475 2.821 50 1 FFGF COC(=O)[C@H](Cl)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587687777 HXBQWLHZMTVLTK-JPWUCKPDSA-N 350.615 2.944 50 1 FFGF COC(=O)C(=O)[C@H](Cl)[C@@]1(C)NCCc2c(Cl)cc(Cl)cc21 963124543 QXZNYESCXJXDAJ-JSGCOSHPSA-N 350.629 2.704 50 1 FFGF C#CC[N@@+]12Cc3cc4c(cc3[C@H](C1)C1=C[C@H](Cl)[C@@H](OC)C[C@@H]12)OCO4 1857639433 PYOIVPKMCQCHOX-CXJSAQCFSA-N 358.845 2.797 50 1 FFGF C[C@H](CCl)C[C@H]1C(=O)N(C)C(=C[C@@H](C)C(Cl)Cl)C(=O)N1C 2356312567 GKYGSNSRYKQYTK-AEJSXWLSSA-N 355.693 2.874 50 1 FFGF COC(=O)C(=O)[C@@H](Cl)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587499067 QSHAQSITYHPSKF-SJLPKXTDSA-N 350.798 2.639 50 1 FFGF CCCCCC(=O)O[C@@H]1C2=C(C=O)[C@]34C[C@]3(CC2=CC1(C)C)C(=O)O[C@@H]4O 2356720890 MQPOERGLRKKIDH-PLWAMTLXSA-N 374.433 2.596 50 1 FFGF O=C[C@H](Cl)[C@@H]1N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962921621 PCULBMFZNBRSEC-YESZJQIVSA-N 361.781 2.631 50 1 FFGF O=C(NCCCCCI)n1oc(=O)c2ccccc21 28227302 ZNLKYNHFZITURG-UHFFFAOYSA-N 374.178 2.758 50 1 FFGF CC(C)(Oc1ccc(-c2csc(NC(=O)C(=O)Cl)n2)cc1)C(=O)O 66258786 YKLZWWSBFMJRJN-UHFFFAOYSA-N 368.798 2.756 50 1 FFGF O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)N/N=C/c1ccccc1Cl 64485683 PTYJORSMJNZQDL-QGMBQPNBSA-N 357.757 2.748 50 1 FFGF C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@@]12CC[C@@](O)(CCl)C(=O)C2 145318545 SVNHPGVWJZJWRJ-OBCWZRDOSA-N 365.695 2.806 50 1 FFGF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(C(=O)NN)cc2[nH]1 587235406 LLFSCEYWKUIYNU-CHWSQXEVSA-N 373.457 2.717 50 1 FFGF COC(=O)CCO[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 103187403 MLCMYVNIWOSCTQ-LPBFZAKBSA-N 370.442 2.774 50 1 FFGF O=S(=O)(O)OCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 64540438 UEIOAGILCFMQIE-UHFFFAOYSA-N 374.455 2.823 50 1 FFGF CC[C@H](C)[C@H](NC(=O)c1ccc(OC)cc1)C(=O)N/N=C/c1ccccc1 45335939 SAESBIPAZSCBTI-PFAOCYIVSA-N 367.449 2.990 50 1 FFGF COC(C)(C)[C@H](Br)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 586971815 ZILNUOKEZGIQOC-LLVKDONJSA-N 361.261 2.827 50 1 FFGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cnn(C)n2)N1 587684494 KPMCEJMEXFKKNY-XLKFXECMSA-N 373.657 2.733 50 1 FFGF O=C(N/N=C\c1ccc(Cl)cc1)c1nc(O)c2cc([N+](=O)[O-])ccc2n1 35132404 OTNVYEXDICMQNE-LSCVHKIXSA-N 371.740 2.661 50 1 FFGF CN(C)CCSSCCn1cc(CN(C)Cc2ccccc2)nn1 618009417 CVEHLMUQMQCXIC-UHFFFAOYSA-N 365.572 2.853 50 1 FFGF CC(C)(C)OC(=O)N1CCC[C@H]1/C=N/NC(=O)CCCCCC(=O)O 95809014 FIEWFWLASHDTMS-HTMJNSLASA-N 355.435 2.523 50 1 FFGF COc1cc2c3c(c1)O[C@](CBr)([C@H]1CCOC1)[C@@H](C2)C3=O 587413385 NULQRKNOJKLWLC-KNHMANMVSA-N 353.212 2.613 50 1 FFGF CN1C(=O)C[C@H]2CN[C@](CBr)(c3ccco3)c3cccc1c32 963026002 NAWMOKKBZBAJNL-GTNSWQLSSA-N 361.239 2.971 50 1 FFGF N#CC1=C[C@@H]2CN(Cc3ccccc3)[C@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]21 16916908 MPBVULAEDBTSOF-GFOJFJKKSA-N 369.424 2.756 50 1 FFGF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)[C@H](OC)[C@H](OC(=O)C(C)C)[C@@H]12 2356607262 SKCDPGIEMVQDCR-VSZNYVQBSA-N 362.422 2.532 50 1 FFGF COc1ccc([C@H]2Oc3c(O)cc(C=CC=O)cc3[C@H]2CO)cc1OC 2356575718 YGQBKZGYLCQCDU-DNVCBOLYSA-N 356.374 2.831 50 1 FFGF CCCc1c(O)ccc2c1O[C@@](C)([C@H](Cl)C(=O)C(=O)OCC)CC2=O 587461095 WLDJGQWDCSJMEQ-SJLPKXTDSA-N 368.813 2.808 50 1 FFGF Cc1cc(F)c([C@H]2NCCc3cccc(-c4ccccc4)c32)cc1B(O)O 962671432 SCYRHFCNKPCWMV-JOCHJYFZSA-N 361.225 2.716 50 1 FFGF CN(C)S(=O)(=O)c1cccc2nc(/C(C#N)=C\c3ccccc3)[nH]c12 587189190 ZEXNQEUFYOVNQI-KAMYIIQDSA-N 352.419 2.877 50 1 FFGF C[C@@]1(c2ccc(B(O)O)c(F)c2)NCCc2cccc(-c3ccccc3)c21 962663373 GHFCCCUPICHDNF-QFIPXVFZSA-N 361.225 2.582 50 1 FFGF CC(=O)O[C@]1(C)CC[C@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 38148247 CQFIPESXGGQKLO-OWLYRPNTSA-N 368.451 2.671 50 1 FFGF COC(=O)[C@H](Cl)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587687779 HXBQWLHZMTVLTK-ZYDDLXRUSA-N 350.615 2.944 50 1 FFGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12COC(CCl)=CC2=O 587545220 OLLBHGVZXYFLLE-APWZRJJASA-N 372.760 2.815 50 1 FFGF COC(=O)[C@@]1(CCCCl)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962642433 URCJNGGWQDTHJK-KPZWWZAWSA-N 355.862 2.968 50 1 FFGF Cc1cc2c(cc1O)[C@](CCl)(COc1ccccc1)N[C@H](C(=O)O)C2 963527737 QNSHVDUUSDIFCV-LPHOPBHVSA-N 361.825 2.813 50 1 FFGF COc1cc(/C=N/NC(=O)[C@@H](OC)c2ccc3c(c2)OCCO3)ccc1C 84672144 VAIAMRIXHWGPDE-CIPMJJFUSA-N 370.405 2.613 50 1 FFGF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)[C@H](OC)[C@H](OC(=O)C(C)C)[C@H]12 2356607263 SKCDPGIEMVQDCR-ZJPYXAASSA-N 362.422 2.532 50 1 FFGF CCOCCOC(=O)/C(C#N)=C(\NCc1ccc(Cl)nc1)SC 40845324 RFIDUZNFLGQMLL-WYMLVPIESA-N 355.847 2.502 50 1 FFGF CC(C)Nc1nc(NNC(=O)c2ccncc2)nc(Nc2ccccc2)n1 58650653 QNRHWVKEKHUBEA-UHFFFAOYSA-N 364.413 2.587 50 1 FFGF C[C@H](O)CCC[C@H](O)C=C[C@@H]1[C@H](CC=CCCCC(=O)O)[C@H]2C[C@H]1OO2 2356345217 MTVPUJQVDLAVML-LOXVXLSQSA-N 368.470 2.991 50 1 FFGF O=[N+]([O-])C1=C2N(Cc3ccc(Cl)nc3)CCN2[C@@H](OCCCl)CC1 35272165 YMPMETVSQIENGB-AWEZNQCLSA-N 373.240 2.674 50 1 FFGF Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@@H]([C@@](C)(O)CCl)O3 14689050 PGOOUZZLZBIMRI-KXBFYZLASA-N 359.809 2.691 50 1 FFGF endogenous,in-man O=C(N/N=C1/c2cc(Br)cnc2-n2cccc21)c1ccco1 1857773800 YSAXSJQFPWCRBB-AQTBWJFISA-N 357.167 2.724 50 1 FFGF COC(=O)C[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541298 ARUXVQSJMPYHOI-YJBOKZPZSA-N 362.765 2.895 50 1 FFGF [C-]#[N+][C@@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(CC(=O)O)cc2)n1 261077804 BEQUXPWABQNQFH-CVEARBPZSA-N 367.409 2.756 50 1 FFGF COc1cc([C@H]2Oc3c(OC)cc(/C=C\C=O)cc3[C@@H]2CO)ccc1O 15152895 GWCSSLSMGCFIFR-UWXNHABZSA-N 356.374 2.831 50 1 FFGF CNS(=O)(=O)NCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586942076 HEQIODJBXSXBTL-UHFFFAOYSA-N 366.337 2.774 50 1 FFGF O=C1C=CC(=CNNC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)C=C1 13125609 NQHPHBHSKYCAHN-UHFFFAOYSA-N 366.204 2.522 50 3 FFGF CN(C)CCSSCCCNC(=O)c1cc(-c2ccncc2)no1 618017197 IJCOYZWRXHRKMW-UHFFFAOYSA-N 366.512 2.800 50 1 FFGF CO[C@@]1(c2ncc(F)cc2-c2cnn(C)c2)C=C(C#N)C(=O)C(C)(C)C1 1857598645 UFTRYWQICMMERY-IBGZPJMESA-N 354.385 2.912 50 1 FFGF CCN(CC)CCN(C)c1ccc(/C=N/NC(=O)c2ccncc2)cc1 103245545 IIPYZCQTZDFVSB-CJLVFECKSA-N 353.470 2.624 50 1 FFGF CN(C)CCSSCCNC(=O)c1ccnc(C(F)(F)F)c1 621477324 DHJWEAXOSRUTGR-UHFFFAOYSA-N 353.435 2.773 50 1 FFGF CCOC(=O)[C@@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c1ccccc1n2C 1857649991 DHRIVAPPNSTJCE-MRXNPFEDSA-N 365.311 2.628 50 1 FFGF Cc1oc(C(=O)O)cc1[C@@]1(CCl)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963037588 VQOUZZXZFDDKHB-WLRWDXFRSA-N 374.824 2.822 50 1 FFGF C=CCSS/C(CCO)=C(\C)N(C=O)Cc1cnc(C)nc1N 13311082 WNCAVNGLACHSRZ-SDNWHVSQSA-N 354.501 2.507 50 1 FFGF endogenous,in-man COc1ccc([C@@H]2Oc3c(O)cc(/C=C\C=O)cc3[C@@H]2CO)cc1OC 238779934 YGQBKZGYLCQCDU-UDPNFQSTSA-N 356.374 2.831 50 1 FFGF COc1cc2c3c(c1)O[C@@](C)([C@@H](NC(=O)CCl)C(C)C)[C@@H](C2)C3=O 587419333 CHZJAAKQGCFXQB-UYHISHBKSA-N 351.830 2.581 50 1 FFGF C[C@H](O)CCC[C@H](O)C=C[C@H]1[C@H](CC=CCCCC(=O)O)[C@H]2C[C@H]1OO2 2356345218 MTVPUJQVDLAVML-XREYTECCSA-N 368.470 2.991 50 1 FFGF CC(=O)Oc1cccc(C(=O)NCCCSSCCN(C)C)c1 618007610 BXVBOCFZMPDJPM-UHFFFAOYSA-N 356.513 2.675 50 1 FFGF O=C(NNS(=O)(=O)c1ccccc1)c1cc(-c2ccccn2)ccc1F 1857609134 QAMFWPQHAVTOFD-UHFFFAOYSA-N 371.393 2.511 50 1 FFGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cnnn2C)N1 587687014 YLRJBJYUYJDHMI-RMLUDKJBSA-N 373.657 2.733 50 1 FFGF COc1ccc(NC(=O)/C(C#N)=C/c2cc(O)c(O)c([N+](=O)[O-])c2)cc1 40394843 UNVKGCDUNPZDNN-IZZDOVSWSA-N 355.306 2.560 50 1 FFGF CCCC[C@@]1(c2ccc(F)c(B(O)O)c2)NCCc2c1sc(C)c2C 963008784 KCQCDSPVLMGYOP-IBGZPJMESA-N 361.291 2.763 50 1 FFGF COc1cc(OC)c2c(c1C(C)=O)OC(C)(C)[C@H](O)[C@@H]2Br 1857637861 ALUMFQDCLSGUTJ-TZMCWYRMSA-N 359.216 2.874 50 1 FFGF C[C@H](CO[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)O 1911581130 HBTRKFIRCRFPMK-QOZMMOFMSA-N 370.442 2.932 50 1 FFGF CC[C@]1(C(=O)OC(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 587789362 CEEPEGXPZSSQNJ-GLEZIHRCSA-N 358.207 2.817 50 1 FFGF C[C@]1(c2ccc(B(O)O)c(F)c2)NCCc2cccc(-c3ccccc3)c21 962663369 GHFCCCUPICHDNF-JOCHJYFZSA-N 361.225 2.582 50 1 FFGF COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc(N)c3N)cc(Cl)c1OC 38153953 DJZSDIXASBNMSJ-AWEZNQCLSA-N 372.812 2.740 50 1 FFGF O=C(NNS(=O)(=O)c1ccccc1)c1cc(F)cc(-c2ccco2)c1 1857534154 FPYNCLRKRCOLLR-UHFFFAOYSA-N 360.366 2.709 50 1 FFGF O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@@H](Cl)[C@H]1c1ccco1 103219541 RGSGHIJNJFBWSX-WCQYABFASA-N 350.161 2.780 50 1 FFGF CC1(C)C[C@H]([C@@]23CC[C@@](O)(CO2)[C@H](Cl)[C@@H]3O)CC[C@H]1Br 86024390 XRKNLWCQFNFCIF-OYFKMHTJSA-N 367.711 2.838 50 1 FFGF biogenic CCOc1cc(NC(=O)CCl)cc2c1C(=O)c1c(O)cccc1C2=O 1857557908 BOVPXEZBEGBUEV-UHFFFAOYSA-N 359.765 2.744 50 1 FFGF CCOP(=O)(OCC)[C@@H]1C(C#N)=C(N)Oc2ccc([N+](=O)[O-])cc21 103249372 IZTAYIOJRBEVMH-ZDUSSCGKSA-N 353.271 2.988 50 1 FFGF COCCN(C)c1n[nH]c2ccc(C3C(C#N)=C(C)NC(C)=C3C#N)cc12 68151704 SIGVOVJYZIZPCO-UHFFFAOYSA-N 362.437 2.927 50 1 FFGF C/C=C(\C)C(=O)O[C@H](C1=C(C)C(=O)O[C@@H]1O)[C@@]1(C)C(C=O)=CCC[C@@H]1C 238758762 JUWNQGFIHXLZHN-UTZJFTMISA-N 362.422 2.618 50 1 FFGF Oc1ccc([C@@]2(CBr)NCCc3nc4ccccn4c32)cc1O 962986559 IQIKTZADMZPSHO-QGZVFWFLSA-N 374.238 2.530 50 1 FFGF CC(=O)c1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1 1857610013 YLYNCMWVIDNLBW-UHFFFAOYSA-N 368.414 2.666 50 1 FFGF CN(C)CCSSCCNC(=O)c1cc(Cl)c2[nH]c(O)nc2c1 621485955 VVEULBQFIFYAOD-UHFFFAOYSA-N 374.919 2.595 50 1 FFGF CC(C)(C)c1cc(C(=O)NNC=C2C=CC(=O)C=C2)n(-c2ccccc2)n1 13124271 FQWBBQPBVQJOQC-UHFFFAOYSA-N 362.433 2.983 50 3 FFGF C=CCCCCC=C[C@H](O)CC#CC#C[C@@H](Cl)[C@H](O)COC(C)=O 2356419448 SWOPGEJOJDUACS-IPMKNSEASA-N 352.858 2.578 50 1 FFGF CSc1cccc(/C=N/NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 103172747 QEDZVKCGOYZUPW-CXUHLZMHSA-N 360.351 2.989 50 1 FFGF N#C/C=C1/c2ccccc2N=C(NCCN2CCOCC2)c2ccccc21 84462487 JJNVHWSCRQAHTG-GIJQJNRQSA-N 358.445 2.955 50 1 FFGF CCOc1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1 1857551605 DIWSGPCYWRYVLP-UHFFFAOYSA-N 370.430 2.862 50 1 FFGF COc1ccc(C(=O)NCCCSSCCN(C)C)cc1OC 618008380 ZGRGIJSHPRRNCF-UHFFFAOYSA-N 358.529 2.767 50 1 FFGF NNC(=O)c1ccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2c1 586895074 NOKSNBQIHHOPQU-UHFFFAOYSA-N 358.401 2.993 50 1 FFGF N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC(=O)C=Cc1ccc(O)cc1 2356491210 GZGNYCZACHKBOA-QGZVFWFLSA-N 350.374 2.527 50 1 FFGF CC(C)(C)OC(=O)N1CCC[C@H]1/C=N/NC(=O)CCCCCCC(=O)O 95809741 LECHDSUGIPOYJH-ITRAFESCSA-N 369.462 2.913 50 1 FFGF C=C1C[C@H](OCC(C)C)[C@H]2C(=C)C(=O)O[C@@H]2/C=C(\C)[C@H](O)C[C@H]1OO 238775014 ITYHUNDKHWVEMW-SLOUCTHRSA-N 352.427 2.641 50 1 FFGF N#CC1=C[C@H]2CN(Cc3ccccc3)[C@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]21 105183868 MPBVULAEDBTSOF-OYNPSCLESA-N 369.424 2.756 50 3 FFGF O=C(N/N=C/c1cccc(Br)c1)Nc1nnc(S)s1 28863629 ALOJVSOBMWFXCI-LFYBBSHMSA-N 358.246 2.745 50 1 FFGF O=CC1=COc2ccccc2[C@]12N[C@@H](C(=O)O)Cc1c2cnc2ccccc12 963229263 JRNRIVFULXATPJ-DENIHFKCSA-N 372.380 2.553 50 1 FFGF C=C1C(=O)O[C@@H]2C=C(C)[C@@H](O)C[C@@H](OO)C(=C)C[C@H](OCC(C)C)[C@H]12 2356692082 ITYHUNDKHWVEMW-RZFLPCETSA-N 352.427 2.641 50 1 FFGF O=c1n(-c2ccc3c(c2)OCO3)c2ncccc2n1C(F)(F)[C@H](F)Cl 169320902 QAWSQSVMPROEDB-ZDUSSCGKSA-N 371.702 3.000 50 1 FFGF CCCCCCCCCCCC[C@]1(O)C(=O)O[C@H](C(=O)O)[C@@H]1C(=O)OO 2356723313 DTFXURUKUSESHP-QWQRMKEZSA-N 374.430 2.671 50 1 FFGF NNC(=O)c1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 587048661 XZFPGSJIQGRQMQ-KXFIGUGUSA-N 357.757 2.898 50 1 FFGF N#CC1=C[C@@H]2CN(Cc3ccccc3)[C@@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]21 169300717 MPBVULAEDBTSOF-WLRLJWMZSA-N 369.424 2.756 50 1 FFGF CC=C(C)C(=O)O[C@H](C1=C(C)C(=O)O[C@@H]1O)[C@]1(C)C(C=O)=CCC[C@H]1C 2356544942 JUWNQGFIHXLZHN-NPKUMUTRSA-N 362.422 2.618 50 1 FFGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)CC(C)C)CC(C=O)=CCC[C@]1(C)O[C@H]21 2356593463 KXHUVYHYLHPWIP-SNOHLBKASA-N 362.422 2.509 50 1 FFGF Cc1cc(OC(C)C)cc(C(=O)NNS(=O)(=O)c2ccccc2F)c1 1857550361 VXXGIGYHRDFKMV-UHFFFAOYSA-N 366.414 2.545 50 1 FFGF Cc1nn(C)cc1[C@]1(CBr)NCCc2ccc(F)c(C)c21 962088967 FBVPQMRNHJXDMD-INIZCTEOSA-N 352.251 2.960 50 1 FFGF Cc1c(O)ccc2c1[C@](CCl)(c1nccn1C(C)C)N[C@H](C(=O)O)C2 963487197 CJWULFVCOINJSH-SCLBCKFNSA-N 363.845 2.559 50 1 FFGF N#CC1=C(N)Oc2c(ccc(N)c2N)[C@@H]1c1cccc(Br)c1 38153963 ARCKWIGVGSQNMS-ZDUSSCGKSA-N 357.211 2.832 50 1 FFGF O=C(N/N=C/[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1cccnc1 28252960 BZYIWHFOOBBIBI-HSJQUHBMSA-N 372.428 2.839 50 1 FFGF NNC(=O)c1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 587048662 XZFPGSJIQGRQMQ-QHHAFSJGSA-N 357.757 2.898 50 1 FFGF O=c1c2ccccc2oc2cc(OC[C@@H](O)CBr)cc(O)c12 28822783 CXDQMCVVJNYQBX-VIFPVBQESA-N 365.179 2.786 50 1 FFGF Cc1[nH]nc2c1[C@@H](c1cc(=O)oc3ccc(Cl)cc13)C(C#N)=C(N)O2 1772571903 JDOGURKNKFSZDH-HNNXBMFYSA-N 354.753 2.696 50 1 FFGF C=C1[C@@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1[C@@H]1C=C(C=O)C[C@H](O)OO1 85909513 FTAJAXWRGBRFCV-YORKTUFCSA-N 350.455 2.920 50 1 FFGF CC1=NN(CC(=O)N/N=C(\C)c2ccc(Cl)cc2Cl)C(=O)CC1 103221523 IGQZPYWHWSOGPB-VCHYOVAHSA-N 355.225 2.832 50 1 FFGF CC[C@H](Br)[C@@H]1C[C@H](Br)[C@H]2C[C@@H](O2)[C@@H](CC=O)O1 2356738809 BQABDHDTPBUHTH-NEJQNHLGSA-N 370.081 2.827 50 1 FFGF NNC(=O)c1ccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2c1 587232605 VRLILINJVVSVLD-UHFFFAOYSA-N 361.405 2.716 50 1 FFGF Oc1ccc([C@@H]2Oc3cc(O)c(Cl)c(O)c3[C@@H](Cl)[C@@H]2O)cc1O 40786408 VCXPPWLVMKLPIT-SNPRPXQTSA-N 359.161 2.937 50 1 FFGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cnon1 587544091 MNGJIJROEXDDEO-PBHICJAKSA-N 358.737 2.871 50 1 FFGF COC(C)(C)[C@H](Br)c1nc2nc(Br)c[nH]c-2n1 586970668 HZCROQXJKCDFLD-ZCFIWIBFSA-N 364.041 2.928 50 1 FFGF CN1C(=O)C[C@@H]2CN[C@](C(F)F)([C@@H](Cl)C(=O)C3CC3)c3cccc1c32 963014820 APFIYBCTMQHRNP-KAWXRDEMSA-N 368.811 2.787 50 1 FFGF CC(=O)OC/C(=C\CO)CC/C=C(/CC/C=C(\C)C=O)COC(C)=O 238753293 NYCFYGOJSIWKPN-BVNZSQIGSA-N 352.427 2.663 50 1 FFGF CCCc1c(O)ccc2c1O[C@@]1(C=NN(C(C)C)C(=O)[C@H]1Cl)CC2=O 587459742 FZFJSXWWZHLXLH-SJLPKXTDSA-N 364.829 2.893 50 1 FFGF COC(=O)CCO[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 169359076 MLCMYVNIWOSCTQ-VXKCIIDGSA-N 370.442 2.774 50 1 FFGF C[C@@H](O[Si](C)(C)C)[C@H]1C=C[C@@H](C)n2c(=O)n(-c3ccccc3)c(=O)n21 195493329 AJRYFWHAPFUXFO-IIAWOOMASA-N 359.502 2.713 50 1 FFGF CCOC(=O)[C@H](Cl)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541880 DQUHVBDCZXGWOJ-CKEIUWERSA-N 362.765 2.893 50 1 FFGF O=C1OC(=O)c2cc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)ccc21 586908604 SGGLRTBNFSYYAL-UHFFFAOYSA-N 368.658 2.954 50 1 FFGF CC(C)(C)c1cc(C(=O)NN/C=C2\C=CC=CC2=O)n(-c2ccccc2)n1 13122324 ZBBFMZZBPRBVNZ-CCEZHUSRSA-N 362.433 2.983 50 3 FFGF C=CCN1N=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](Cl)C1=O 587499250 LTMZIIGNQQGJHB-IEBWSBKVSA-N 358.825 2.891 50 1 FFGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cnc(O)[nH]1 587543145 JLGFMFMQSHAILJ-RDTXWAMCSA-N 372.764 2.917 50 1 FFGF Cc1cc2c(cc1O)[C@@](CCl)(COc1ccccc1)N[C@H](C(=O)O)C2 963527743 QNSHVDUUSDIFCV-QFBILLFUSA-N 361.825 2.813 50 1 FFGF CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(C(=O)NN)cc2[nH]1)C1CCCC1 587224814 HNNPGABTHHLMOD-OAHLLOKOSA-N 373.457 2.922 50 1 FFGF COc1cc([C@H]2Oc3c(OC)ccc(C=CC=O)c3[C@@H]2CO)ccc1O 2356407650 HDZDFHQYGJFWNH-IFXJQAMLSA-N 356.374 2.831 50 1 FFGF CCCC(=O)Oc1ccc(N/C(C)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)cc1 142215197 FNFIMLQNUVUTBD-GDNBJRDFSA-N 373.361 2.563 50 1 FFGF COc1cccc(C(=O)NCC(=O)N/N=C(C)/C=C/c2ccccc2)c1 13571830 JHHBMGQWKHVRKS-NRLZKTNLSA-N 351.406 2.631 50 1 FFGF COc1cc([C@H]2Oc3c(OC)cc(C=CC=O)cc3[C@H]2CO)cc(O)c1O 2356741509 USSBRSIZHILPBL-AUUYWEPGSA-N 372.373 2.537 50 1 FFGF CC[C@H](C)[C@@H](C(=O)N/N=C\c1ccccc1)N1C(=O)c2ccccc2C1=O 473172833 YXGPRAKCMVWTTC-AHXWOFLFSA-N 363.417 2.848 50 1 FFGF COc1cc2c3c(c1)O[C@@]1(CCC[C@@H](Br)C1=O)[C@@H](C2)C3=O 587417702 OUCITQGMWQLXRC-USBNGQNGSA-N 351.196 2.698 50 1 FFGF Cc1nc2sc3ccccc3n2c1C(=O)NNC(=O)c1ccccc1 653802223 WKYMKZDUDHIGFJ-UHFFFAOYSA-N 350.403 2.932 50 1 FFGF COc1cc2c3c(c1)O[C@](CBr)(c1ccncn1)[C@@H](C2)C3=O 587414504 VXOGZEJKGNMURT-ZBEGNZNMSA-N 361.195 2.523 50 1 FFGF CCOC(=O)[C@@]1([C@H](C)Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587415584 VEVZQKJXKJEPKD-XLNKKQEUSA-N 369.211 2.528 50 1 FFGF CN1C(=O)C[C@H]2CN[C@@](CBr)(c3ccco3)c3cccc1c32 963025997 NAWMOKKBZBAJNL-APPDUMDISA-N 361.239 2.971 50 1 FFGF C=C1C[C@H](OCC(C)C)[C@@H]2C(=C)C(=O)O[C@@H]2C=C(C)[C@@H](O)C[C@@H]1OO 2356692084 ITYHUNDKHWVEMW-TXTZMMAHSA-N 352.427 2.641 50 1 FFGF CC(C)=CCOc1ccc(/C=C/C(=O)NNC(=O)c2ccncc2)cc1 66113962 MRBHCFATQJYOOS-VMPITWQZSA-N 351.406 2.901 50 1 FFGF C[C@@]1(CBr)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962629011 GMEBPKRQZGRTSD-PWSUYJOCSA-N 368.149 2.794 50 1 FFGF COc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(C)cc3)CC2=O)cc1 826003 ZRUDTCNQWQGVLA-SVZNOHIVSA-N 351.406 2.507 50 3 FFGF COc1cc(C(=O)N/N=C/c2ccc(F)c(F)c2)cc(OC)c1OC 8101975 QBXSGPFVISKFOC-AWQFTUOYSA-N 350.321 2.755 50 1 FFGF N[P@](=O)(OCc1cccc([N+](=O)[O-])c1)N(CCCl)CCCl 64540567 HAPMIMSJMUPOFG-NRFANRHFSA-N 356.146 2.958 50 1 FFGF COc1ccc(C(=O)N(C)/N=C/c2c(C)nc3ccccn23)cc1OC 95557619 JQVUSPJWMYTHCB-UDWIEESQSA-N 352.394 2.766 50 1 FFGF COc1ccc(N[C@H](C)C(=O)NN/C=C2\C(=O)C=Cc3ccccc32)cc1 12471116 BBZZRGDITXQSAG-RMENWYJGSA-N 363.417 2.753 50 3 FFGF O=C(N/N=C/[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1cccnc1 28252966 BZYIWHFOOBBIBI-WEKPXBEKSA-N 372.428 2.839 50 1 FFGF C/C(=C\C[C@@H](O)[C@](C)(Cl)CBr)[C@@H](O)CBr 136686218 IUOFNEYPSNEOOA-OISDZULVSA-N 364.505 2.832 50 1 FFGF C=C1C[C@H](OC(=O)C(C)=CC)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C=C[C@]2(C)OO 2356444001 GNCLTABIHJGZSJ-VRCAPQLRSA-N 360.406 2.973 50 1 FFGF COC(=O)C(=O)[C@@H](Cl)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587499063 QSHAQSITYHPSKF-AEFFLSMTSA-N 350.798 2.639 50 1 FFGF COc1cccc2c1O[C@H]1C=C(OC[C@@](C)(O)CCl)C=C(O)[C@H]1C2=O 64553246 QWMGLPOWAGDAGL-DAYGRLMNSA-N 366.797 2.601 50 1 FFGF C=C1C(=O)O[C@H]2[C@@H]3C(C)=CC(=O)[C@@H]3[C@@](C)(OO)C[C@@H](OCC(C)C)[C@H]12 2356460150 LEAHFVKYKVNWRT-HTCPCDBNSA-N 350.411 2.539 50 1 FFGF CN(C)CCSSCCNC(=O)c1ccc(Br)o1 618008842 LPRBGVHUDHXKJC-UHFFFAOYSA-N 353.307 2.715 50 1 FFGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12COC(CCl)=CC2=O 587545237 OLLBHGVZXYFLLE-QFBILLFUSA-N 372.760 2.815 50 1 FFGF CC[C@]1(C(=O)OC(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792013 KSWOCXAINSIWBM-AYVTZFPOSA-N 358.207 2.817 50 1 FFGF CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCBr 169331364 VBCGOMYRGBKIRS-ZDUSSCGKSA-N 371.275 2.634 50 1 FFGF O=c1oc(OCCBr)c(Cl)c2ccc(N[N+](=O)[O-])cc12 27633387 UFFJOMGEDRLHBV-UHFFFAOYSA-N 363.551 2.824 50 1 FFGF CCOC(=O)CO[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 103188920 VADVVZYGPHZHGC-LPBFZAKBSA-N 370.442 2.774 50 1 FFGF O=[P@]1(N(CCCl)CCCl)N[C@H](OO)C[C@@H](c2cccnc2)O1 43328096 GPOIDCWGJWYNAG-DRONIGIMSA-N 370.173 2.836 50 1 FFGF COc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(=O)n(C)c1ccccc21 111968144 ORQCDJGRZADFRF-KRWDZBQOSA-N 359.385 2.765 50 1 FFGF COc1ccc(Cl)cc1C#Cc1cc(Cl)ccc1OCC(=O)NN 587901815 UUONZRLECBHBJO-UHFFFAOYSA-N 365.216 2.771 50 1 FFGF CC[C@@]1(C(=O)OC(C)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595441 NZELWPHKNYAZDD-HNAYVOBHSA-N 356.330 2.592 50 1 FFGF COc1ccc2c(c1OC)[C@](CBr)(C(C)=O)N(C)[C@@H](C)C2 962619538 DJVNUDYWBAEQGW-QFYYESIMSA-N 356.260 2.759 50 1 FFGF COC(=O)C[C@@H]1OO[C@](CCCC=C[C@](C)(OC)[C@@H](C)O)(OC)C[C@@H]1C 2356759400 MJIUSKCPOCVTRD-MGGVOPSTSA-N 374.474 2.761 50 1 FFGF CCOC(=O)c1sc(N)c(C(=O)N/N=C/c2ccc(OC)cc2)c1C 40422984 QBODJRTVQZIHMH-DJKKODMXSA-N 361.423 2.588 50 1 FFGF O=C[C@H](Cl)[C@H]1N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962921619 PCULBMFZNBRSEC-ULQDDVLXSA-N 361.781 2.631 50 1 FFGF CCc1ccc(OCC(=O)NNC(=O)Cc2c(F)cccc2Cl)cc1 14373459 LCUSPHXDXDKFQV-UHFFFAOYSA-N 364.804 2.810 50 3 FFGF C[C@@H]1CC[C@H]2[C@@](C)(C(=O)OCCCl)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 103190919 OSVFCPCANYVXBC-OXGPLWSSSA-N 360.834 2.773 50 1 FFGF N#C/C=C1/c2ccccc2N=C(N2CC[N+]([O-])(CCO)CC2)c2ccccc21 40434116 XYWFOEZWLAQWAS-GIJQJNRQSA-N 374.444 2.656 50 1 FFGF CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2[C@@H](C=O)C1=C(C=O)C(=O)O 2356504946 LMDFIBIKBBICGI-RAJNIJHNSA-N 366.417 2.502 50 1 FFGF C/C(=N\NC(=O)Cn1c(=O)c(C)nc2ccccc21)c1ccccc1Cl 653719619 RXGZBCBDCUPWNW-WSDLNYQXSA-N 368.824 2.899 50 1 FFGF CCOC(=O)N/N=C1\C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21 95593709 AQCSBWJFEVZERG-SJPXOZHESA-N 358.350 2.777 50 1 FFGF Nc1ccccc1[C@@]1(CCl)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963229287 JUTQBNFPSQUXKM-UYAOXDASSA-N 367.836 2.898 50 1 FFGF O=C(NNC(=O)c1occc1-c1ccccc1)c1ccc(O)c([N+](=O)[O-])c1 35942456 BUDXBKRZWUDJFO-UHFFFAOYSA-N 367.317 2.635 50 1 FFGF COc1cc2c3c(c1)O[C@@](CBr)([C@H]1CCOC1)[C@@H](C2)C3=O 587413386 NULQRKNOJKLWLC-PKWAYOAASA-N 353.212 2.613 50 1 FFGF COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc1OC 13586144 ZYOYDFWMCSMWSB-IBGZPJMESA-N 351.406 2.988 50 1 FFGF COC(=O)c1ccc(NC(=O)CCSSCCN(C)C)cc1OC 618007736 NKFKGBLFUBHKQY-UHFFFAOYSA-N 372.512 2.753 50 1 FFGF C[C@H](CCl)C[C@H]1C(=O)N(C)C(=C[C@H](C)C(Cl)Cl)C(=O)N1C 2356312568 GKYGSNSRYKQYTK-GUBZILKMSA-N 355.693 2.874 50 1 FFGF CCCc1c(O)ccc2c1O[C@@]1(C=NN(CC)C(=O)[C@@H]1Cl)CC2=O 587461341 MLLJATAIKNGUGB-DOTOQJQBSA-N 350.802 2.504 50 1 FFGF O=C(O)CCCCCC(=O)N/N=C/c1cc(Br)ccc1O 95808462 XEMXSTHTDKQCNB-CXUHLZMHSA-N 357.204 2.640 50 1 FFGF CC1=C([C@H](OC(=O)CC(C)C)[C@]2(C)C(C=O)=CCC[C@@H]2C)[C@H](O)OC1=O 14509164 QQZGFNTYFXIZMI-NQIVQMERSA-N 364.438 2.698 50 1 FFGF biogenic COc1ccc(/C=N/NC(=O)c2ccco2)cc1Cn1nc(C)cc1C 667617 CDIFINQQVVNSBJ-RGVLZGJSSA-N 352.394 2.914 50 3 FFGF NNC(=O)c1cc(-c2ccc(Cl)cc2)nn1Cc1ccc(Cl)nc1 28870642 KXFDPUBGCQGUSR-UHFFFAOYSA-N 362.220 2.904 50 1 FFGF COC(=O)c1cc(Cl)c2[nH]c(-c3ccc4c(c3)C(=O)OC4=O)nc2c1 586909332 YLBLOKHZDPODDV-UHFFFAOYSA-N 356.721 2.981 50 1 FFGF Oc1ccc([C@@H]2Oc3cc(O)c(Cl)c(O)c3[C@H](Cl)[C@@H]2O)cc1O 169308178 VCXPPWLVMKLPIT-QEJZJMRPSA-N 359.161 2.937 50 1 FFGF CCCCCCCCCCCC[C@]1(O)C(=O)O[C@H](C(=O)O)[C@H]1C(=O)OO 2356723314 DTFXURUKUSESHP-SUNYJGFJSA-N 374.430 2.671 50 1 FFGF CC(C)(C)[Si](OCc1cn[nH]c(=O)c1)(c1ccccc1)c1ccccc1 299863488 PDUIOJXTUZFRKN-UHFFFAOYSA-N 364.521 2.847 50 1 FFGF N#CC1=C(N)Oc2c(ccc(N)c2N)[C@H]1c1cccc(Br)c1 38153962 ARCKWIGVGSQNMS-CYBMUJFWSA-N 357.211 2.832 50 1 FFGF CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccc3c(c1)COO3)[C@@H](C)N2 38152167 OCWOFXSFJZWUTO-SECBINFHSA-N 369.381 2.991 50 1 FFGF O=C(N/N=C/c1ccc(F)cc1)c1ccc(CN2CCC[C@@H](O)C2)cc1 1857629780 CIBYXFRJRYQLIC-VVJWVBNBSA-N 355.413 2.546 50 1 FFGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2cnn(CCCCCl)c2)N1 962896286 BMLYIJRYYOSNDJ-HOCLYGCPSA-N 351.809 2.730 50 1 FFGF Cc1nn(-c2ccccc2)c2nc(-c3ccc(C#N)cc3)cc(C(=O)NN)c12 28640135 DRIYJKDJTHTSAT-UHFFFAOYSA-N 368.400 2.871 50 1 FFGF O=C(N/N=C/c1cc([N+](=O)[O-])ccc1F)c1ccc2c(c1)OCCCO2 1772652264 FIRUTNZSCNTBEX-VXLYETTFSA-N 359.313 2.659 50 1 FFGF CC1(C)N(O)c2ccc(COc3ccc(/C=N/NC(N)=O)cc3)cc2[N+]1=O 377466648 SUBUQUKEMPKCSI-KEBDBYFISA-O 370.389 2.624 50 1 FFGF C[C@@H](CNCCCCCN)SS[C@@H](C)CNCCCCCN 29131510 FUNQQISXPKLFAY-HOTGVXAUSA-N 350.642 2.582 50 1 FFGF Cc1ccc(S(=O)(=O)c2ccc(C[C@@H](N)C(=O)CCl)cc2)cc1 26670393 FEJSYGFQORYRPF-MRXNPFEDSA-N 351.855 2.506 50 1 FFGF COC(C)(C)[C@@H](Br)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 586971401 RPWFFFQXOUPPBR-LBPRGKRZSA-N 354.204 2.755 50 1 FFGF Cc1cc(N)c2c(c1)C(=O)C[C@](CNC(=O)CCl)(c1ccccc1)O2 587371106 DAYGMOXGSQOZSF-IBGZPJMESA-N 358.825 2.793 50 1 FFGF O=C(N/N=C/c1cn(-c2cc(Cl)ccc2Cl)nn1)c1ccncc1 72181511 UJHKTOHDKDWQME-UFWORHAWSA-N 361.192 2.733 50 1 FFGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c[nH]nc1C(=O)Cl 587887915 CKENUMGOVGMMTF-UHFFFAOYSA-N 370.623 2.806 50 1 FFGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cnn(C)n2)N1 587686288 UBPRXXHKKJWMSK-RMLUDKJBSA-N 373.657 2.733 50 1 FFGF CC(=O)C1=C(O)/C(=C(\C)Nc2ccc(Br)cc2)C(=O)OC1=O 169316273 OVEIZHNVRSMNEB-XFFZJAGNSA-N 366.167 2.620 50 1 FFGF O=C[C@@H](Cl)[C@@H]1N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962921617 PCULBMFZNBRSEC-IXDOHACOSA-N 361.781 2.631 50 1 FFGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cnn(C)n2)N1 587684490 KPMCEJMEXFKKNY-CLAHSXSESA-N 373.657 2.733 50 1 FFGF Cc1ccc(C)n1-c1cc(C(=O)N/N=C/c2cccnc2)ccc1C(=O)O 219920783 YSIVKKMOYPFMSY-WSDLNYQXSA-N 362.389 2.951 50 1 FFGF CN(C)[P@@](=O)(c1ccccc1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 59425509 WIBUXVATGVSBDW-XMMPIXPASA-N 361.769 2.711 50 1 FFGF N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1c1ccccc1[N+](=O)[O-] 20086790 LEHFZJIESZGSQK-OAHLLOKOSA-N 373.324 2.736 50 1 FFGF O=C(Nc1cc2c3c(cccc3c1)C(=O)OC2=O)c1ccc([N+](=O)[O-])o1 95582076 GTDZMYGHVYYPDH-UHFFFAOYSA-N 352.258 2.904 50 1 FFGF CC(=O)O[C@]1(C)CC[C@@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 100833485 CQFIPESXGGQKLO-SPUZQDLCSA-N 368.451 2.671 50 1 FFGF C=C(CCCC(C)=O)[C@H](C(=O)O)[C@@H](CC=O)C(C=O)=CC=CC(C)(C)O 2356465842 JOCVINHFPIDHBY-ROUUACIJSA-N 364.438 2.660 50 1 FFGF N[C@H](CCl)c1nc2c(Br)cnc(Br)c2[nH]1 587009951 DKGGJWWSIRWXLE-SCSAIBSYSA-N 354.433 2.722 50 1 FFGF CCOC(=O)Cc1ccc2nc(-c3ccc4c(c3)C(=O)OC4=O)[nH]c2c1 586907190 URVAQTRAKCTESV-UHFFFAOYSA-N 350.330 2.646 50 1 FFGF CN(C)CCSSCCCNC(=O)C(=O)c1c[nH]c2ccccc12 618018335 XUOOYDMBMOGMKG-UHFFFAOYSA-N 365.524 2.800 50 1 FFGF CCOC(=O)[C@@]1(C(F)(F)F)C(C#N)=C(N)Oc2[nH]c3ccccc3c21 1857772099 GBEPAYDOEQOHDC-OAHLLOKOSA-N 351.284 2.617 50 1 FFGF C#CCOC(=O)C[C@H]1C(C#N)=C(N)Oc2ccc(-c3cccc(N)c3)cc21 95559281 DMBLDPFGTOTYKB-MRXNPFEDSA-N 359.385 2.672 50 1 FFGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cnc(O)[nH]1 587543143 JLGFMFMQSHAILJ-KDOFPFPSSA-N 372.764 2.917 50 1 FFGF CCCc1c(O)ccc2c1O[C@@]1(C=NN(CC)C(=O)[C@H]1Cl)CC2=O 587461343 MLLJATAIKNGUGB-NVXWUHKLSA-N 350.802 2.504 50 1 FFGF O=c1cc(CCl)oc(CN2CCN(CC3CCCCC3)CC2)c1O 96922489 HBGPTFCIXYOUQV-UHFFFAOYSA-N 354.878 2.782 50 1 FFGF O=C(OCCN(CCCl)CCCl)c1ccc[n+](-c2ccccc2)c1 96937790 GMFHQBHYRPRSMW-UHFFFAOYSA-N 368.284 2.900 50 1 FFGF C=CCN1N=C[C@@]2(CC(=O)c3ccc(O)c(CCC)c3O2)[C@@H](Cl)C1=O 587461995 OLLYJCOARUWBPM-WMZOPIPTSA-N 362.813 2.670 50 1 FFGF CC(C)=CCOc1ccc([C@H]2C[C@@H]2C(=O)NNC(=O)c2ccncc2)cc1 49069512 NSCFKUUAIJZRHM-MOPGFXCFSA-N 365.433 2.991 50 1 FFGF COc1cc(O)cc([C@@H]2Oc3c(OC)cc(C=CC=O)cc3[C@@H]2CO)c1 2356531262 ULBMBMMLJNHZBG-HKUYNNGSSA-N 356.374 2.831 50 1 FFGF N#CC1=C(N)OC2=C(C(=O)CN(Cc3ccccc3)C2)[C@H]1c1ccccc1 84713439 RNOTZWPIQLEUBN-FQEVSTJZSA-N 357.413 2.833 50 1 FFGF Nc1ccccc1[C@]1(CCl)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963229283 JUTQBNFPSQUXKM-ICSRJNTNSA-N 367.836 2.898 50 1 FFGF O=C(N/N=C\c1ccccc1)c1cccc(C(=O)N/N=C\c2ccccc2)n1 33347546 CIXYDPUFSYZJNI-VMTNTFKOSA-N 371.400 2.609 50 3 FFGF Nc1ccc(C(=O)NNC(=S)Nc2ccc(Cl)c(Cl)c2)c(O)c1 1857552707 LGMWARMQRXLADD-UHFFFAOYSA-N 371.249 2.913 50 1 FFGF COc1ccc2ccc(=O)oc2c1C(/C=C/c1ccccc1)=N/NC(N)=O 299868688 SESDOUWFEOFJAE-AWFLEDEYSA-N 363.373 2.887 50 1 FFGF CCOCCOC(=O)/C(C#N)=C(\NCc1cnc(OCC)s1)C(C)C 103216718 ZYZPOVWDABSLQQ-PFONDFGASA-N 367.471 2.645 50 1 FFGF COc1ccc2c(c1OC)[C@@](CBr)(C(C)=O)N(C)[C@H](C)C2 962619540 DJVNUDYWBAEQGW-QLJPJBMISA-N 356.260 2.759 50 1 FFGF OB(O)c1cccc(NCc2ccc(OCc3ccc(F)cc3)cc2)c1 1857544866 OGQFDWBSKJCIGN-UHFFFAOYSA-N 351.186 2.697 50 1 FFGF Nc1nc(Nc2ccc(Cl)cc2)nc(C(=O)NNc2ccccc2)n1 103241510 BSIHOPIPDBQHJG-UHFFFAOYSA-N 355.789 2.608 50 1 FFGF COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc(N)c3N)cc(Cl)c1OC 38153952 DJZSDIXASBNMSJ-CQSZACIVSA-N 372.812 2.740 50 1 FFGF COc1ccc(Cl)cc1C#Cc1oc(C(=O)NN)cc1Br 587912432 OXCSQZWJBYLOSM-UHFFFAOYSA-N 369.602 2.707 50 1 FFGF C=CCC1=CC=C/C(=C\NNC(=O)CCC(=O)Nc2ccc(C)cc2)C1=O 13121691 AJYBBKZDPHFWAR-SAPNQHFASA-N 365.433 2.860 50 3 FFGF CC(C)(NC(=O)CCl)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587009827 VFPGVOSEGZWDSC-UHFFFAOYSA-N 356.135 2.567 50 1 FFGF NNC(=O)c1ccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2c1 587068713 XRBPCKVFZGUJDQ-UHFFFAOYSA-N 352.785 2.877 50 1 FFGF Cc1[nH]nc2c1[C@H](c1cc(=O)oc3ccc(Cl)cc13)C(C#N)=C(N)O2 1772571905 JDOGURKNKFSZDH-OAHLLOKOSA-N 354.753 2.696 50 1 FFGF COC(=O)CCCCCCC(=O)N/N=C/c1ccc(-n2ccnc2)cc1 95808678 VCFHTFJQOFSSPR-KGENOOAVSA-N 356.426 2.836 50 1 FFGF COC1=C/C(=C/C(C#N)=C2\Nc3ccc(C)cc3N2)C=C([N+](=O)[O-])C1=O 13119071 BFZDFJABNIGTED-VSIFMREISA-N 350.334 2.768 50 3 FFGF C[C@@H](CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)O 43504346 HBTRKFIRCRFPMK-QRVPQQKRSA-N 370.442 2.932 50 1 FFGF COc1ccc2c(c1Cl)/C(=N/NC(=O)[C@@H](C)c1ccc(O)cc1)C(=O)N2 72179767 QVLYZKZXMRHJAY-VIFPVBQESA-N 373.796 2.630 50 1 FFGF O=C(/C=C/c1ccc2c(c1)OCO2)OC(=O)/C=C/c1ccc2c(c1)OCO2 84604566 AWRHUYKAENPUJM-FCXRPNKRSA-N 366.325 2.940 50 1 FFGF CN(C)c1ccc(C(=O)N/N=C/c2ccc(Br)cc2O)cc1 1857550531 HJFPGKIMLCKQOO-VCHYOVAHSA-N 362.227 2.985 50 1 FFGF Cc1nn(C)c2c1[C@H](c1ccc(OC(F)(F)F)cc1)C(C#N)=C(N)O2 1772633606 FURFYJHQHAIRQY-CYBMUJFWSA-N 350.300 2.845 50 1 FFGF CC(C)NC(=O)c1ccc(Cl)cc1C(=O)N/N=C/c1ccc(O)cc1 103204129 BASGHWRVTIGGDD-KEBDBYFISA-N 359.813 2.948 50 1 FFGF COC(=O)[C@H](Cl)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587690130 ZIIYAVKJKOOJNG-GHGOGRRBSA-N 350.615 2.944 50 1 FFGF Cc1cc(NNC(=O)[C@@H]2O[C@H]2c2ccc3c(c2)OCO3)nc2ccccc12 27990680 CYTAXCFXJRAVNF-RBUKOAKNSA-N 363.373 2.855 50 1 FFGF C=C(C=O)[C@H]1CC2=C([C@H](OC(C)=O)C1)[C@@]1(CCCC(C)(C)C1=O)COC2=O 238788248 CIFIZNMSNSLKRM-CMPZQBNXSA-N 374.433 2.702 50 1 FFGF CC(=O)O[C@]1(C)CC[C@H]2C[C@@H]1OO[C@]2(C)CS(=O)(=O)c1ccccc1 38148216 CQFIPESXGGQKLO-DZJNRPSUSA-N 368.451 2.671 50 1 FFGF O=C(NNS(=O)(=O)c1ccccc1)c1cccc(OC2CCCC2)c1 1857574189 NMMIEPGFDDMZMV-UHFFFAOYSA-N 360.435 2.631 50 1 FFGF C[C@H](C(=O)N/N=C1\C(=O)Nc2ccc(O)c(Cl)c21)c1ccc(F)cc1 72181718 ZMBWRXCYUUXUPO-QMMMGPOBSA-N 361.760 2.761 50 1 FFGF O=C(CBr)NCCc1nc2cc(Cl)c(F)c(F)c2[nH]1 586970914 INANDOPVQOLHRK-UHFFFAOYSA-N 352.566 2.548 50 1 FFGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cnnn2C)N1 587684032 JPSJXMIXEGMZCD-CLAHSXSESA-N 373.657 2.733 50 1 FFGF C/C=C(\C#N)C(=O)N1CC[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 621485892 RWBUMVYBTRDQOI-KLVUZYOQSA-N 367.327 2.842 50 1 FFGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=C(CCl)OCC2=O 587547000 RTBRJGPVVRZHCB-LPHOPBHVSA-N 372.760 2.815 50 1 FFGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@](CCl)(c2ncccc2F)N1 963232456 NUWYFFMEUQFJRY-LPHOPBHVSA-N 371.799 2.850 50 1 FFGF COc1ccc(-c2nc3ccc(/C(C)=N/NC(N)=O)cc3[nH]2)c(OC)c1 84710342 VZVGETOMUYEMST-LSHDLFTRSA-N 353.382 2.639 50 1 FFGF NNC(=O)c1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1 587116501 ZTFGXFUTTQIHDR-UHFFFAOYSA-N 372.310 2.795 50 1 FFGF COC(=O)C[C@@H]1OO[C@](CCCC=C[C@](C)(OC)[C@H](C)O)(OC)C[C@H]1C 2356759399 MJIUSKCPOCVTRD-DZBHQSCQSA-N 374.474 2.761 50 1 FFGF NNC(=O)c1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1 587029743 TYWPBISXPDJYAD-UHFFFAOYSA-N 365.418 2.869 50 1 FFGF Cc1ccnc2c1CCN[C@@]2(CBr)c1ccccc1C(=O)O 963069459 MVHSGRXJRNUKEK-KRWDZBQOSA-N 361.239 2.872 50 1 FFGF O=C(N/N=C/c1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1ccncc1 72181510 PWPATBQLDIGQMW-UFWORHAWSA-N 361.192 2.733 50 1 FFGF CCOC(=O)[C@]1([C@H](C)Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587415583 VEVZQKJXKJEPKD-VCAYMJSRSA-N 369.211 2.528 50 1 FFGF NNC(=O)c1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 586995319 JXBAONOKKPORMO-UHFFFAOYSA-N 374.242 2.584 50 1 FFGF O=C1[C@@H](Cl)[C@@H](c2ccc(Cl)cc2)N1n1cnc2ccccc2c1=O 5838618 LNRZYBWNRWQHSW-LSDHHAIUSA-N 360.200 2.877 50 1 FFGF COc1cccc2c1O[C@@H]1C=C(OC[C@](C)(O)CCl)C=C(O)[C@@H]1C2=O 169293097 QWMGLPOWAGDAGL-RVKKMQEKSA-N 366.797 2.601 50 1 FFGF CC1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC(=O)C(C#N)=C[C@]3(C#CC#N)CC[C@@H]12 44031782 YXYZKUCRXUPWDS-HSQYWUDLSA-N 355.397 2.934 50 1 FFGF COc1cc2c3c(c1)O[C@@](CNC(=O)CCl)(c1ccccc1)[C@@H](C2)C3=O 587420306 HUVSRLATZZEFCG-YWZLYKJASA-N 371.820 2.693 50 1 FFGF O=C(CCCCCC(=O)N/N=C/c1ccc(-c2cccnc2)cc1)NO 209736175 SOSXJHXYTVYMTE-FYJGNVAPSA-N 354.410 2.655 50 1 FFGF CC(=O)NCc1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)o1 587372543 MJIBOXQJVJBNJO-GOSISDBHSA-N 362.813 2.906 50 1 FFGF CCOC(=O)c1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1CCl 28458785 BRRLSRYRUUBHEJ-UHFFFAOYSA-N 354.706 2.604 50 1 FFGF COC(=O)[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587500643 UAZHZXYEFFXIMC-MRXNPFEDSA-N 353.212 2.837 50 1 FFGF COC(C)(C)[C@@H](Br)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 586971818 ZILNUOKEZGIQOC-NSHDSACASA-N 361.261 2.827 50 1 FFGF CC(C)C(=O)Nc1ccccc1C(=O)NN=Cc1ccc([N+](=O)[O-])cc1 15989571 XQBXTQDIUBVJOD-UHFFFAOYSA-N 354.366 2.953 50 1 FFGF aggregator COc1ccc(Cl)cc1C(=O)N1CCC[C@H](CNC(=O)CCl)C1 621485659 DVVPPUGLAVUIMC-LLVKDONJSA-N 359.253 2.556 50 1 FFGF CC[C@@]1(C(=O)OC(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 587792012 KSWOCXAINSIWBM-ANRSDYALSA-N 358.207 2.817 50 1 FFGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cnon2)N1 587686139 SQULTEXBRFDKGU-WPPNPWJKSA-N 360.614 2.988 50 1 FFGF CC=C(C)C(=O)O[C@@H]1C[C@H](O)C2=CC(=O)C(C(C)(C)OO)=C[C@]2(C)[C@H]1C 2356649596 QYBOEYZNFHEAHE-VDESFZGPSA-N 364.438 2.975 50 1 FFGF O=C(N/N=C\c1cccc(Br)c1)Nc1nnc(S)s1 95581224 ALOJVSOBMWFXCI-XGICHPGQSA-N 358.246 2.745 50 1 FFGF CCOC(=O)C[C@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 587376362 XCPWZCJIVFSDCD-HNNXBMFYSA-N 356.216 2.629 50 1 FFGF COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc(N)c3C)cc2c1OCO2 38153927 TXCZPUUPCZNYAT-INIZCTEOSA-N 351.362 2.533 50 1 FFGF CC(C)[C@H](c1nc2ccc(C(=O)NN)cc2[nH]1)N(C)C(=O)OC(C)(C)C 587197270 CBNCPVMSRMDRAB-CQSZACIVSA-N 361.446 2.730 50 1 FFGF O=C(CSc1nnc(-c2ccccn2)s1)N/N=C/c1ccccc1 1660891 OINNYWWMTYBGMS-VCHYOVAHSA-N 355.448 2.843 50 1 FFGF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(C(=O)NN)cc2[nH]1 587926894 LZCDMPVOYZUQLR-ZDUSSCGKSA-N 354.410 2.726 50 1 FFGF C[C@@]1(CBr)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962629010 GMEBPKRQZGRTSD-JQWIXIFHSA-N 368.149 2.794 50 1 FFGF C=CC/C(C=O)=C1\O[C@@H]2CC(=O)N2[C@]1(CC=C)C(=O)OCc1ccccc1 222282163 RNEZBAWBDZGLDN-RLMRLNLFSA-N 367.401 2.662 50 1 FFGF C/C(=N\NC(=O)c1snnc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 103183018 PSIGUJJWQPMOLX-OMCISZLKSA-N 359.289 2.619 50 1 FFGF O=C1[C@H](Cl)[C@H](c2ccc(Cl)cc2)N1n1cnc2ccccc2c1=O 1632102 LNRZYBWNRWQHSW-CABCVRRESA-N 360.200 2.877 50 1 FFGF Cc1ccc(Cl)c2c1NC(=O)/C2=N\NC(=O)[C@@H](C)c1ccc(O)cc1 72181645 ROCGAPPSZYVLBK-JTQLQIEISA-N 357.797 2.930 50 1 FFGF C=CCCCC/C=C/[C@H](O)CC#CC#C[C@@H](Cl)[C@@H](O)COC(C)=O 238786549 SWOPGEJOJDUACS-GXGBOIOWSA-N 352.858 2.578 50 1 FFGF COc1cc(O)cc([C@H]2Oc3c(OC)cc(C=CC=O)cc3[C@H]2CO)c1 2356531263 ULBMBMMLJNHZBG-IEBWSBKVSA-N 356.374 2.831 50 1 FFGF COC(C)(C)[C@H](Br)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 586970736 FOJIMZKIBHVANQ-SNVBAGLBSA-N 363.233 2.671 50 1 FFGF CC(C)C[C@@]1(c2ccc(B(O)O)cc2)c2ccc(F)cc2C[C@H]2CCCN21 963100652 IPYIZIUWMGAQOE-IFMALSPDSA-N 367.273 2.816 50 1 FFGF CCOC(=O)C1=C(C)NC(N)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 40864493 PFCJTIRMAHCMMK-AWEZNQCLSA-N 351.328 2.923 50 1 FFGF NNC(=O)COc1ccc(C(=O)Nc2cccc(F)c2)c2ccccc12 28361763 FDYLIDYEAIOJTL-UHFFFAOYSA-N 353.353 2.600 50 1 FFGF C=C(CCCC(C)=O)[C@@H](C(=O)O)[C@@H](CC=O)C(C=O)=CC=CC(C)(C)O 2356465843 JOCVINHFPIDHBY-ZWKOTPCHSA-N 364.438 2.660 50 1 FFGF COc1ccc([C@@H]2Oc3c(O)cc(C=CC=O)cc3[C@@H]2CO)cc1OC 2356575720 YGQBKZGYLCQCDU-KXBFYZLASA-N 356.374 2.831 50 1 FFGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cnnn2C)N1 587684034 JPSJXMIXEGMZCD-RTHLEPHNSA-N 373.657 2.733 50 1 FFGF CC[C@]1(C(=O)OC(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 587792014 KSWOCXAINSIWBM-GLEZIHRCSA-N 358.207 2.817 50 1 FFGF O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(CO)o1 95808534 NAJNSVLNCAPLGX-UDWIEESQSA-N 373.409 2.517 50 1 FFGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CNC(=O)CCl)(c1cccs1)O2 587413825 PKDHYWRJSSCYSN-QGZVFWFLSA-N 364.854 2.854 50 1 FFGF Cc1ccc(/C=N/NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)cc1 672793 ZJKNLKHETHNNFW-QGMBQPNBSA-N 353.338 2.505 50 3 FFGF CN(C)CCSSCCn1cc(-c2ccc([N+](=O)[O-])cc2)nn1 618009249 AADYHFPCSDBSQK-UHFFFAOYSA-N 353.473 2.796 50 1 FFGF CCCCOc1cccc(C(=O)NNS(=O)(=O)c2ccccc2F)c1 1857581620 QGOBJVCKVWHRRO-UHFFFAOYSA-N 366.414 2.628 50 1 FFGF O=C(CSc1nnc(-c2ccncc2)o1)N/N=C/c1cccc(F)c1 103232019 LZQRABLYIWBCQD-DJKKODMXSA-N 357.370 2.513 50 1 FFGF O=C(N/N=C/c1ccccc1)c1nnc(O)c2nc(-c3ccccc3)ncc12 1911583611 VFLBPNFPKGDQJK-SSDVNMTOSA-N 370.372 2.556 50 1 FFGF N#CC1=C(N)OC2=C(C(=O)CN(Cc3ccccc3)C2)[C@@H]1c1ccccc1 84713437 RNOTZWPIQLEUBN-HXUWFJFHSA-N 357.413 2.833 50 1 FFGF Cc1c(N2CCN(C)CC2)c(=O)oc2cc(O)cc(OCCCCl)c12 96914068 LRQGOBZKLXFAAV-UHFFFAOYSA-N 366.845 2.567 50 1 FFGF CC1(C)[C@H]2CC[C@@]1(CBr)c1nc3nc(O)nc(O)c3cc12 587367567 ZBAUWOITINPALQ-BJOHPYRUSA-N 350.216 2.986 50 1 FFGF O=C(NNS(=O)(=O)c1ccccc1F)c1cccc(-c2ccccc2)n1 1857570622 HBVUQYIYDGEYPI-UHFFFAOYSA-N 371.393 2.511 50 1 FFGF CC1(C)CC(=O)C2=C(C1)N1CCc3ccccc3[C@@H]1CC2=NNC(N)=O 2356697635 KRJRTJDGLJQBTE-HNNXBMFYSA-N 352.438 2.657 50 1 FFGF NNC(=O)c1ccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587661326 XEMKXCSZQGPRGT-UHFFFAOYSA-N 374.375 2.795 50 1 FFGF Cc1ccc(Cl)c2c1NC(=O)/C2=N\NC(=O)[C@H](C)c1ccc(O)cc1 72181646 ROCGAPPSZYVLBK-SNVBAGLBSA-N 357.797 2.930 50 1 FFGF COC(=O)[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587500638 UAZHZXYEFFXIMC-INIZCTEOSA-N 353.212 2.837 50 1 FFGF NNC(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2c1 587084635 FAGOBOVNGIZXHS-UHFFFAOYSA-N 364.796 2.944 50 1 FFGF CCc1ccc(C(=O)NNC(=O)c2cccc(-n3c(O)ccc3O)c2)cc1 169691883 UWYMQLNBGHDPRV-UHFFFAOYSA-N 365.389 2.526 50 1 FFGF CC(C)(C)OC(=O)NN(CC1CC1)c1nc(C#N)ncc1Br 58568373 KCMCGENUXGXARF-UHFFFAOYSA-N 368.235 2.767 50 1 FFGF O=C(O)CC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccccc3)[C@H]2C1 26167920 IWQCLWMWPCMOBY-OQLLJJNBSA-N 371.437 2.992 50 1 FFGF O=C(N/N=C/c1ccc(F)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCCO2 1772646808 HETPBPLOYJOYDJ-VXLYETTFSA-N 359.313 2.659 50 1 FFGF COc1cc(Br)c(/C=N/NC(=O)c2ccccn2)cc1OC 7893024 UHYSKSVYMBKKDK-GIJQJNRQSA-N 364.199 2.625 50 1 FFGF CC1(C)[C@H](O)C[C@@H]2O[C@@]2(C)[C@@]12C[C@H](Br)[C@@](C)(Cl)C[C@@H]2O 2356571828 FDSHBAAWEKXEPR-IYWBVDBHSA-N 367.711 2.837 50 1 FFGF C=C(C=O)[C@@H]1CC2=C([C@H](OC(C)=O)C1)[C@@]1(CCCC(C)(C)C1=O)COC2=O 2356602526 CIFIZNMSNSLKRM-IUSZMWJPSA-N 374.433 2.702 50 1 FFGF Cc1cc(OC(C)C)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F 1857575976 REQXSAOLNCUPGK-UHFFFAOYSA-N 366.414 2.545 50 1 FFGF O=C1C=CC(Cl)=C/C1=C\NNC(=O)c1ccccc1Br 15962158 HMWLGUOWOYVCGL-CMDGGOBGSA-N 353.603 2.829 50 3 FFGF CC(=CC[C@H](O)[C@](C)(Br)CCl)[C@@H](O)CBr 2356443131 ATTBFMYAZGXNEC-LPEHRKFASA-N 364.505 2.832 50 1 FFGF C=CCN1N=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](Cl)C1=O 587499246 LTMZIIGNQQGJHB-HKUYNNGSSA-N 358.825 2.891 50 1 FFGF CO[C@]1(c2ncc(F)cc2-c2cnn(C)c2)C=C(C#N)C(=O)C(C)(C)C1 1857598646 UFTRYWQICMMERY-LJQANCHMSA-N 354.385 2.912 50 1 FFGF C[C@@H](O[Si](C)(C)C)[C@@H]1C=C[C@@H](C)n2c(=O)n(-c3ccccc3)c(=O)n21 195493322 AJRYFWHAPFUXFO-FMKPAKJESA-N 359.502 2.713 50 1 FFGF O=C1[C@@H](Cl)[C@H](c2ccccc2)N1/N=C/CCn1nnc2ccccc21 66251226 YQYWEUJMANDSGT-FNPLVTCOSA-N 353.813 2.998 50 1 FFGF Nc1nc(N2CCC(Br)CC2)c2c(n1)[nH]c1ccc(O)cc12 221383905 WTKPIKFFNARXBW-UHFFFAOYSA-N 362.231 2.763 50 1 FFGF NNC(=O)c1ccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2c1 587270909 WPQHAZBQCSBNTP-UHFFFAOYSA-N 374.360 2.804 50 1 FFGF O=C(CCl)N[C@@H](Cc1ccco1)C(=O)Nc1nc2ccccc2s1 38267328 PYRCBMGUXBRNTB-LBPRGKRZSA-N 363.826 2.794 50 1 FFGF CCOP(=O)(OCC)[C@H]1C(C#N)=C(N)Oc2ccc([N+](=O)[O-])cc21 103249371 IZTAYIOJRBEVMH-CYBMUJFWSA-N 353.271 2.988 50 1 FFGF CCOC(=O)/C(C#N)=C/C(=C(\O)c1ccccc1)[n+]1ccc(N(C)C)cc1 205878826 YBOYCJCPUIMTJI-UHFFFAOYSA-O 364.425 2.937 50 1 FFGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC=Cn3c1nc(CCl)cc3=O)O2 587375597 NJFZHWLVHVSYQL-GOSISDBHSA-N 357.797 2.608 50 1 FFGF CO[P@@](=O)(c1cccs1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 59425793 CGBRVFGUPUAYMU-NRFANRHFSA-N 354.755 2.857 50 1 FFGF N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(=O)/C=C/c1ccc(O)cc1 238765502 GZGNYCZACHKBOA-JEJOPICUSA-N 350.374 2.527 50 1 FFGF O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccccc2)c1 1857605545 HWMDJNJNDQETFD-UHFFFAOYSA-N 352.415 2.977 50 1 FFGF O=C(O)CCCCC(=O)O[C@@]12CCCC[C@@H]1[C@@H]1CCCC[C@@]1(O)OO2 169315410 MBHXUUGEWJXIFG-MJSCVDMRSA-N 356.415 2.902 50 1 FFGF CN(C)NC(=O)Nc1cccc2c1C(=O)c1c(-c3cccs3)n[nH]c1-2 13588745 CNTHYULFGNYUTP-UHFFFAOYSA-N 353.407 2.948 50 1 FFGF O=C(CCl)N[C@@H]1CCCCN(Cc2cccc(C(F)(F)F)c2)C1=O 199411998 RDXNKLSQHKQEFU-CYBMUJFWSA-N 362.779 2.942 50 3 FFGF CC(=O)O[C@@]1(C)CC[C@H]2C[C@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 253632835 CQFIPESXGGQKLO-RANZSIQMSA-N 368.451 2.671 50 1 FFGF COC(=O)/C(Br)=C(/C#Cc1cc(Cl)ccc1OC)C=O 587898369 HAVQEVVJHHJCBD-JLHYYAGUSA-N 357.587 2.721 50 1 FFGF CN1CCc2cnn(C)c2[C@]1(CCl)[C@H]1CCCN1C(=O)OC(C)(C)C 963955243 OEVWHMNJJYYDPE-KDOFPFPSSA-N 368.909 2.742 50 1 FFGF COc1ccc(/N=C2/C(=O)N(c3ccccc3)C(=O)[C@@H]2Cl)c(OC)c1 169691354 GXUZALXHDMYTAX-OQCHKFKFSA-N 358.781 2.957 50 1 FFGF CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@H]1n1cc(CCCCl)nn1 299834317 SGCYUVORERTVIJ-GOSISDBHSA-N 371.824 2.976 50 1 FFGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cnn(C)n2)N1 587686287 UBPRXXHKKJWMSK-CLAHSXSESA-N 373.657 2.733 50 1 FFGF COc1ccccc1C1=C[C]2c3cc4c(cc3CCN2C(N)=C1C#N)OCO4 2356862785 PWMLDSQLFLIKPV-UHFFFAOYSA-N 372.404 2.953 50 1 FFGF CC1(C)COC(CCC/C=N/NC(=O)CCCCCCC(=O)NO)OC1 95809357 APJRFQRTXMFFEM-XDHOZWIPSA-N 371.478 2.504 50 1 FFGF COc1cc2c3c(c1)O[C@@](CCl)(Cn1nnc4ccccc41)[C@@H](C2)C3=O 587417358 LWRPWXDYWDOMLZ-DJJJIMSYSA-N 369.808 2.865 50 1 FFGF CN1CCc2cnn(C)c2[C@@]1(CCl)[C@@H]1CCCN1C(=O)OC(C)(C)C 963955242 OEVWHMNJJYYDPE-KBXCAEBGSA-N 368.909 2.742 50 1 FFGF CC[C@@H](C(=O)NN)n1nc(C)c(C#Cc2cc(Cl)ccc2OC)c1C 587902637 JGJJERJIRIKOSQ-INIZCTEOSA-N 360.845 2.503 50 1 FFGF CC(C)(NC(=O)CCl)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587009599 NBNNUZCHILYVHC-UHFFFAOYSA-N 357.845 2.984 50 1 FFGF CCOCCOC(=O)/C(C#N)=C(\NCc1ccc(OCC)nc1)C(C)C 36434349 GCBFOXQZVSUEIK-VLGSPTGOSA-N 361.442 2.583 50 1 FFGF COc1ccc2c3c(n(C)c2c1)[C@@H]1C[C@H]2C(C=O)=COC[C@H]2[C@H](C3)N1C 238747083 GEEYTZFURFNQAE-RKOGWWSCSA-N 352.434 2.834 50 1 FFGF O=C(CNc1cccc([N+](=O)[O-])c1)N/N=C/c1c(Cl)cncc1Cl 201288184 YHJVOUOOTQJUNU-PTXOJBNSSA-N 368.180 2.859 50 1 FFGF C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/C=O)[C@H](OC)[C@@H](OC(=O)C(C)C)[C@H]12 103576676 SKCDPGIEMVQDCR-TVOSHJQTSA-N 362.422 2.532 50 1 FFGF biogenic,in-vitro O=C1[C@H](Cl)[C@H](c2ccccc2)N1/N=C/CCn1nnc2ccccc21 66251228 YQYWEUJMANDSGT-GNSOHCBRSA-N 353.813 2.998 50 1 FFGF CC=C(C)C(=O)O[C@H](C1=C(C)C(=O)O[C@@H]1O)[C@]1(C)C(C=O)=CCC[C@@H]1C 2356544941 JUWNQGFIHXLZHN-KFCMLPIASA-N 362.422 2.618 50 1 FFGF O=C(NO)c1ccc(C(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)cc1 95808736 CCHDYZWUTSIYTB-CNHKJKLMSA-N 368.176 2.582 50 1 FFGF NNC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1C(F)(F)F 957619752 PXBZTBMIRRCVTO-UHFFFAOYSA-N 353.329 2.618 50 1 FFGF CCOC(=O)CO[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 169340181 VADVVZYGPHZHGC-AIHVKHJLSA-N 370.442 2.774 50 1 FFGF C=C1CC[C@H](C(C)C)C=C[C@](C)(O)C[C@H](O)[C@H](O)[C@@]2(C)CC[C@H]1OO2 2356465700 FAJGWQQSQDRLJV-CFSBILQPSA-N 354.487 2.897 50 1 FFGF Cn1nncc1[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544130 MUGBEKRFRCFYDM-MAUKXSAKSA-N 371.780 2.617 50 1 FFGF O=C(N/N=C/c1ccc(Br)o1)c1ccc2c(c1)OCCO2 1020922 PFEWOUJKCIQNHM-LZYBPNLTSA-N 351.156 2.577 50 3 FFGF CC(=CC[C@H](O)[C@](C)(Cl)CBr)[C@@H](O)CBr 2356723426 IUOFNEYPSNEOOA-LPEHRKFASA-N 364.505 2.832 50 1 FFGF CN(C)CCSSCCNC(=O)c1ccc(C(F)(F)F)cn1 621477400 JOCJYCGYYHSQGA-UHFFFAOYSA-N 353.435 2.773 50 1 FFGF CN1CCc2cnn(C)c2[C@]1(CCl)[C@@H]1CCCN1C(=O)OC(C)(C)C 963955244 OEVWHMNJJYYDPE-KSSFIOAISA-N 368.909 2.742 50 1 FFGF CC(=O)O[C@@]1(C)CC[C@H]2C[C@@H]1OO[C@]2(C)CS(=O)(=O)c1ccccc1 38148217 CQFIPESXGGQKLO-LEUOFYLZSA-N 368.451 2.671 50 1 FFGF COc1ccc(OC)c(C(=O)NCCCSSCCN(C)C)c1 618008352 YRHLMLZQJGYAFL-UHFFFAOYSA-N 358.529 2.767 50 1 FFGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cnon2)N1 587686138 SQULTEXBRFDKGU-UHLUBPPHSA-N 360.614 2.988 50 1 FFGF O=CC1=COc2ccccc2[C@@]12N[C@H](C(=O)O)Cc1c2cnc2ccccc12 963229270 JRNRIVFULXATPJ-UGKGYDQZSA-N 372.380 2.553 50 1 FFGF COc1cc(C=CC=O)cc2c1O[C@H](c1ccc3c(c1)OCO3)[C@@H]2CO 2356444461 WMSOKIAFJYVUKN-DNVCBOLYSA-N 354.358 2.846 50 1 FFGF CN1C(=O)C[C@@H]2CN[C@](C(F)F)([C@H](Cl)C(=O)C3CC3)c3cccc1c32 963014825 APFIYBCTMQHRNP-ZSSDLHNXSA-N 368.811 2.787 50 1 FFGF C#CC=CC[C@@H]1O[C@H]2C[C@H]1O[C@H](CC)[C@@H](Br)C[C@@H]2OC(C)=O 2356542898 BIUSEKZVPMEEEN-DBWAAGBOSA-N 371.271 2.986 50 1 FFGF Cn1c([C@H](O)CCC(=O)O)nc2ccc(N(CCCl)CCCl)cc21 299854018 SUWGFEOFPMUTTO-CQSZACIVSA-N 374.268 2.756 50 1 FFGF