smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1noc(C)c1C12C[C@@H]3C[C@H](CC(CC(=O)NN)(C3)C1)C2 100772168 KKRYKLXMGPICTO-QJRTVWDNSA-N 303.406 2.509 50 40 DFGB O=CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 82014291 ZKNFMJMQGLAVNA-UHFFFAOYSA-N 306.345 2.912 50 40 DFGB C[C@H]1C[C@@H](C)OC([C@H](Br)CBr)O1 5662645 WFQKYCNLFRLJNC-MOMMNUENSA-N 302.006 2.685 50 40 DFGB COc1ccc(C(=O)N/N=C/C=C/c2ccc([N+](=O)[O-])o2)cc1 3148588 RGZDRKPYEUMYAD-KVPJWXAZSA-N 315.285 2.625 50 40 DFGB CN1CSC2=C(C#N)[C@H](c3ccccc3Cl)CC(=O)N2C1 20533490 SINFAPXNUDLWPO-NSHDSACASA-N 319.817 2.985 50 40 DFGB CCOc1cc(Cl)c(/C=C(/C#N)C(=O)N(C)C)cc1OC 59334995 IXUZICJDWHRCCM-WDZFZDKYSA-N 308.765 2.742 50 40 DFGB N#C/C(=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)C(N)=O 408727555 UDQBZZDDEUCCOG-RIYZIHGNSA-N 323.308 2.566 50 40 DFGB C[C@H](CI)NC(=O)OCc1ccccc1 35965013 NTUAECGJTISEEG-SECBINFHSA-N 319.142 2.736 50 40 DFGB N#C/C(=C1/CCCCCN1)S(=O)(=O)c1cc(F)ccc1F 98212079 YKFFTSQAPLIWED-WYMLVPIESA-N 312.341 2.637 50 40 DFGB N#CC1=C(N)NC(S)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 12375414 PKCDBUMEXVAERY-NSHDSACASA-N 322.315 2.751 50 40 DFGB CCc1sc(C(=O)NNC(=O)c2ccc(Cl)nc2)cc1C 8294150 LXNRGUBAORGJCO-UHFFFAOYSA-N 323.805 2.742 50 40 DFGB NNC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)cc1 226332513 HFVQCUKCNAQWFY-BJMVGYQFSA-N 302.761 2.922 50 40 DFGB C/C(=N/NC(=O)c1cnccn1)c1ccc(Cl)c(Cl)c1 535365 JCYGUFSVGFYWKU-LSCVHKIXSA-N 309.156 2.937 50 40 DFGB CC(=O)N/N=C(\C)CC(=O)Nc1ccc(Cl)cc1Cl 4904319 ICANSQWRVXDQAO-FRKPEAEDSA-N 302.161 2.834 50 40 DFGB CC(C)Oc1ccc(/C=N/NC(=O)Cc2ccccc2)c(O)c1 408589040 KKTOUBCBPFRAIO-XDHOZWIPSA-N 312.369 2.872 50 40 DFGB NNC(=O)c1cccc(OCc2ccc(Br)cc2)c1 226328747 SEQXNIVJJKZKSG-UHFFFAOYSA-N 321.174 2.632 50 40 DFGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)OC(C)(C)C 5955631 PGVJAVHFDDPRBU-LICLKQGHSA-N 316.361 2.745 50 40 DFGB CN1C(=O)[C@@H](Br)[C@H](Br)c2ccccc21 1700649 GLGCGJOOASZSEV-BDAKNGLRSA-N 318.996 2.863 50 40 DFGB N#CC1=C(N)SC(N)=C(C#N)C1c1ccc(C(F)(F)F)cc1 63015 TWDXZPPSGUPSLF-UHFFFAOYSA-N 322.315 2.924 50 40 DFGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3ccccc32)cc1OC 7516617 CSABRSQCTLAAIE-KRWDZBQOSA-N 308.337 2.922 50 40 DFGB CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccncc1 482666 XDDDQCRIKKZKQZ-UDWIEESQSA-N 311.385 2.908 50 40 DFGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(C)o2)cc1 408789376 PJOGAWJWXLDXLV-UKTHLTGXSA-N 310.309 2.920 50 40 DFGB Cc1cc2c(c(=O)o1)[C@H](c1ccc(Cl)s1)C(C#N)=C(N)O2 8783258 LIEITAIFBIIEEV-NSHDSACASA-N 320.757 2.881 50 40 DFGB COc1ccc(NCC(=O)N/N=C2\CCCc3ccccc32)cc1 584232 CNMLWSLWTXPCHO-DYTRJAOYSA-N 323.396 2.964 50 40 DFGB Nc1ccccc1C(=O)N/N=C\c1cccc(Br)c1 169894059 PJKJPFBDPYTIDA-MFOYZWKCSA-N 318.174 2.795 50 40 DFGB COc1cc(/C=N/NC(=O)Cc2ccccc2)cc(Cl)c1O 4702556 DQZWAAGACHTJAS-VCHYOVAHSA-N 318.760 2.747 50 40 DFGB CC(C)Oc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1 19851884 XFOZYPNMDPMHHE-UHFFFAOYSA-N 312.398 2.692 50 40 DFGB Cc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)c(C)n1C 408771239 DTKUWVBWJRXDNK-NVMNQCDNSA-N 319.792 2.824 50 40 DFGB CCOc1cccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c1 408586865 CRZIKSPEKXXPNO-BOPFTXTBSA-N 313.313 2.757 50 40 DFGB CCN(CC)c1ccc(/C=N\NC(=O)c2cccc(OC)c2)o1 408871681 ZEDQRNKQFCYBLT-PDGQHHTCSA-N 315.373 2.898 50 40 DFGB CN(C(=O)CCl)c1ccccc1C(=O)NC1CCCCC1 2565132 BXNGMVVVHNBPDL-UHFFFAOYSA-N 308.809 2.951 50 40 DFGB CCc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)s1 2747324 BBLOXZZJGKZVID-OQLLNIDSSA-N 303.343 2.983 50 40 DFGB O=C(N/N=C\c1cc2c(cc1Cl)OCO2)c1ccccc1O 83327818 GZRMFBDPNZRZGY-IDUWFGFVSA-N 318.716 2.538 50 40 DFGB COc1cccc2c1N(C(C)(C)C(=O)NN)C(C)(C)C[C@@H]2C 223208721 YMAAEHNFMKMWLY-NSHDSACASA-N 305.422 2.556 50 40 DFGB CN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](NC(=O)CCl)CC1 242648699 RDUNZMJLCJTCCM-XYPYZODXSA-N 304.818 2.520 50 40 DFGB Cc1ccccc1OCC(=O)N/N=C/c1ccc(N(C)C)cc1 249338 NBOZOVOAXHMYCH-XDHOZWIPSA-N 311.385 2.590 50 40 DFGB COc1ccc(OC)c(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@]32C)c1 100172158 NLJBFDQRIPHXFJ-PJFATLCNSA-N 316.401 2.980 50 40 DFGB COc1cc([C@H]2C(C#N)=C(C)NC3=C2C(=O)CCC3)ccc1O 3100935 CSLXBXLQRSQOFP-KRWDZBQOSA-N 310.353 2.892 50 40 DFGB CCOc1ccc(CC(=O)N/N=C\c2cc(C)ccc2O)cc1 408711647 CTXPFTGIMBNOKO-UNOMPAQXSA-N 312.369 2.792 50 40 DFGB O=C(Cl)[C@@H]1CC(=O)N(c2ccccc2N2CCCCC2)C1 45958573 NXNKMLAPCWGMOI-GFCCVEGCSA-N 306.793 2.795 50 40 DFGB COc1ccc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)cc1 83292885 BCHKLPFZAFWPFC-HNMKQIAWSA-N 312.369 2.659 50 40 DFGB O=C(Cc1cccnc1)N/N=C/c1cc(Br)cs1 137898 DSKXLMKKTKMHFN-VIZOYTHASA-N 324.203 2.598 50 40 DFGB N#CC1=C(N)OC2=C(C(=O)OC2)[C@H]1c1ccc(Cl)c(Cl)c1 5943979 BSWWEXSKXCBQKO-NSHDSACASA-N 323.135 2.612 50 40 DFGB CCOC(=O)c1ccc(NCCC(=O)CBr)cc1 1699612 CJJORZQZMFKSMC-UHFFFAOYSA-N 314.179 2.629 50 40 DFGB COc1cccc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)c1OC 5519990 VMYIRAPYURRBCC-QZZQKYANSA-N 324.380 2.958 50 40 DFGB COc1ccc(OC)c(/C=C(\C#N)C(=O)n2nc(C)cc2C)c1 408979488 RBQWHHYJQCJELO-RIYZIHGNSA-N 311.341 2.765 50 40 DFGB Cc1c(/C=N/NC(=O)c2ccccc2N)c2ccccc2n1C 5739484 SPPVEEBQERLVPR-RGVLZGJSSA-N 306.369 2.833 50 40 DFGB COC(=O)[C@H](Br)[C@@H](OC)c1ccc(Cl)cc1 1570107 RBVQIIHMBAAIRW-ZJUUUORDSA-N 307.571 2.964 50 40 DFGB COC(=O)[C@H](Br)[C@H](OC)c1ccc(Cl)cc1 1570108 RBVQIIHMBAAIRW-NXEZZACHSA-N 307.571 2.964 50 40 DFGB CC1(C)[C@@]2(C(=O)O)CC[C@@]1(C)/C(=N/NC(=O)c1ccco1)C2 100920581 CVIUSHARRRYTTR-DWXXHQTDSA-N 304.346 2.666 50 40 DFGB Cc1c(C(=O)N/N=C/c2ccccc2F)cccc1[N+](=O)[O-] 59447318 DHTFEFXBWUZMRN-RQZCQDPDSA-N 301.277 2.806 50 40 DFGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])[C@H]1C[C@H]1c1ccccc1 4186744 CHAMAPUBXFIHQO-GWZPGNJDSA-N 309.325 2.849 50 40 DFGB Cn1cc(/C=C(\C#N)C(=O)NCc2ccco2)c2ccccc21 372823 IYVNJSJDYIMIEF-UKTHLTGXSA-N 305.337 2.995 50 40 DFGB C/C(=N/NC(=O)CSc1nc2ccccc2[nH]1)c1ccco1 55525 IYPWYNLDQLWUIA-ZDLGFXPLSA-N 314.370 2.788 50 40 DFGB CCOC(=O)NNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 21771778 CMSZVRIJQIYPLA-NSHDSACASA-N 308.378 2.529 50 40 DFGB O=C(NNC(=O)c1csc(-c2ccccc2)n1)c1ccccc1 13010255 XLICFXQMCFDWPG-UHFFFAOYSA-N 323.377 2.885 50 40 DFGB N#C/C(=C\c1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 6258926 XLQNGJAVSFZAQW-OVCLIPMQSA-N 306.321 2.639 50 40 DFGB CCOc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 3184263 CBTZAPXNCSZSBQ-GZTJUZNOSA-N 313.313 2.757 50 40 DFGB CC(=O)Oc1ccc(/C(C)=N\NC(=O)c2cccs2)cc1 232536 ZLFCXTMGSQBCOQ-YBEGLDIGSA-N 302.355 2.827 50 40 DFGB ClC[C@H](Cl)COC[C@@H]1CO[C@@H]([C@H]2C[C@H]3C=C[C@H]2C3)O1 254765086 VUNCFBMWHARXEN-ARFNZGECSA-N 307.217 2.803 50 40 DFGB CCn1ncc(Cl)c1C(=O)N/N=C/c1ccc(F)s1 252497986 QTCFYIAFFLUANU-LHHJGKSTSA-N 300.746 2.521 50 40 DFGB N#CCC(=O)N/N=C/c1ccccc1OCc1ccccc1F 567387 RKEHCAMYRFKXTD-RGVLZGJSSA-N 311.316 2.768 50 40 DFGB CC(C)c1ccc(/C=N/NC(=O)C(=O)N2CCCCCC2)cc1 4838963 ROXIQXRHTHNPDF-CPNJWEJPSA-N 315.417 2.663 50 40 DFGB O=C(NNC(=O)c1ccccc1-n1cccc1)c1cccs1 1394337 JAZMKQJBJJGPOY-UHFFFAOYSA-N 311.366 2.614 50 40 DFGB O=C(N/N=C\c1ccncc1)c1ccc(Br)cc1 33385597 OLYGSKHOGRVGIE-SXGWCWSVSA-N 304.147 2.608 50 40 DFGB O=C(N/N=C/c1ccc(F)c(Br)c1)c1cccnc1 5770176 MXDDRFGTQHXMPL-REZTVBANSA-N 322.137 2.747 50 40 DFGB CCc1cc(C(=O)NNC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)cs1 102241501 REPSGWTWMZGFBL-BREBYQMCSA-N 323.487 2.608 50 40 DFGB Cc1nc(=O)c(-c2ccccc2)c(C)n1CCBr 519893 YYHRXDBMJIPUNH-UHFFFAOYSA-N 307.191 2.922 50 40 DFGB COc1ccc(/C=C(/C#N)C(N)=O)cc1OCc1ccccc1 17186394 MLQHNEIFQHAULW-DHDCSXOGSA-N 308.337 2.666 50 40 DFGB CC(=O)N/N=C/c1ccc(OCCOc2ccccc2C)cc1 4671595 XUXCJCMSKVWXEG-CPNJWEJPSA-N 312.369 2.923 50 40 DFGB COc1ccc(OC)c(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)c1 111060798 NLJBFDQRIPHXFJ-CIVLAZQXSA-N 316.401 2.980 50 40 DFGB CCc1ccc(CC(=O)N/N=C\c2ccccc2OCC#N)cc1 409360294 DPGLBSRGZJHKAL-STZFKDTASA-N 321.380 2.844 50 40 DFGB N#CC1=C(N)Oc2[nH]nc(C(F)(F)F)c2[C@@H]1c1cccs1 76419 YQVTWWXMZRSVKD-ZETCQYMHSA-N 312.276 2.708 50 40 DFGB NC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1 3275772 NSNPXGFMHLLSPO-RQZCQDPDSA-N 311.370 2.603 50 40 DFGB Cc1ccc(/C=N/NC(=O)C(=O)Nc2cc(C)cc(C)c2)cc1 408963948 KEHKSOIHYZHIOX-YBFXNURJSA-N 309.369 2.701 50 40 DFGB CN(C)c1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)o1 408996198 OSYPRSDYTIXTQC-CPNJWEJPSA-N 322.368 2.900 50 40 DFGB Nc1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1 136363 YUPDOWBBXXQJIX-RQZCQDPDSA-N 318.174 2.795 50 40 DFGB CCCC(CCC)=NNC(=O)C(=O)Nc1ccccc1OC 59434215 CGPWJYPQDUQBNP-UHFFFAOYSA-N 305.378 2.706 50 40 DFGB CCOC(=O)c1csc(N(N)C(=O)Nc2ccc(C)cc2)n1 5274497 ABPYDKILNLTFAV-UHFFFAOYSA-N 320.374 2.540 50 40 DFGB CC/C(=N\NC(=O)Cn1ccc(C(F)(F)F)n1)c1ccccc1 5783560 YUCIDDMXLIIHDC-XDHOZWIPSA-N 324.306 2.832 50 40 DFGB O=C(N/N=C\c1cc(O)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 36236329 LFDGGMAQKGMEPK-PXNMLYILSA-N 319.704 2.718 50 40 DFGB COc1cccc(/C=N\NC(=O)c2ccco2)c1OC(C)C 135755976 APUUQXRLZFSVOU-YVLHZVERSA-N 302.330 2.839 50 40 DFGB COc1cc(C(=O)N/N=C/[C@@H]2CC=CCC2)cc(OC)c1OC 370568 YKDNXGXKUQJLBT-MBNTZHJCSA-N 318.373 2.784 50 40 DFGB Cc1cc(N(CCCl)CCCl)ccc1/C=N/CCO 1680065 BVIQXGQYMNIAIY-GZTJUZNOSA-N 303.233 2.690 50 40 DFGB COc1cc(/C=N/NC(=O)c2cccs2)cc(OC)c1OC 381453 OUTTYHVTODCCFB-CXUHLZMHSA-N 320.370 2.538 50 40 DFGB CC(C)COc1ccc(C(=O)NNC(=O)c2cccs2)cc1 569144 KMPROIULMSIBAM-UHFFFAOYSA-N 318.398 2.858 50 40 DFGB CCOC(=O)N1CCC2(CC1)C(C#N)=C(C)Nc1oc(C)nc12 125607 HIDLSLVHLNLGEF-UHFFFAOYSA-N 316.361 2.696 50 40 DFGB Cc1ccc(C(=O)NNC2=C(C(=O)C(F)(F)F)CCC2)cc1 4535002 VIIKWEVHFNWUIQ-UHFFFAOYSA-N 312.291 2.799 50 40 DFGB CCCOc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC 16440697 RUEZEUMJXYSMSX-NTEUORMPSA-N 302.374 2.916 50 40 DFGB O=c1c2ccccc2n2c(CCl)nnc2n1C1CCCC1 408712677 HAJDIYGRIXLJHO-UHFFFAOYSA-N 302.765 2.898 50 40 DFGB COC(=O)c1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1 15219466 IIUACUAQPXNEHY-BOPFTXTBSA-N 320.348 2.697 50 40 DFGB O=C(NNC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 2639497 DHYJZBOHJSHMHD-UHFFFAOYSA-N 308.259 2.780 50 40 DFGB COc1cccc(OC)c1/C=N/NC(=O)c1ccc(F)cc1 408970262 DUFMDVPQQRCDAM-VCHYOVAHSA-N 302.305 2.607 50 40 DFGB CS(=O)(=O)[C@H](Cl)C(=O)c1ccc(Cl)cc1Cl 96517773 JFZTXKXMXMXIDG-VIFPVBQESA-N 301.578 2.786 50 40 DFGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(C)=O)o2)cc1 7946800 MRDCNDFXKFYZOY-LICLKQGHSA-N 300.314 2.593 50 40 DFGB O=C(CCl)NC(=O)NC(c1ccccc1)c1ccccc1 507814 RGSFORNWKPDSNK-UHFFFAOYSA-N 302.761 2.841 50 40 DFGB O=C1/C(=C/N(CCCl)CCCl)COc2ccccc21 1561155 COKVWJDPPRXIAO-PKNBQFBNSA-N 300.185 2.925 50 40 DFGB Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1ccc(O)cc1 242709 ALMWQWQYKFMCOB-GIJQJNRQSA-N 318.760 2.883 50 40 DFGB C[C@H](Oc1ccc(C#N)cc1)C(=O)N/N=C1\CCc2ccccc21 8499801 QXBPLPWTSVHMQB-OADOCSNJSA-N 319.364 2.792 50 40 DFGB Cc1ccc(/C=N\NC(=O)CNc2c(C)cccc2C)c(O)c1 13285919 GHRMQKNVQQDBOV-JMIUGGIZSA-N 311.385 2.880 50 40 DFGB COc1ccc2oc(C(=O)NNC(=O)CC(C)C)c(C)c2c1 14200152 JWWQWKTXMZAMLW-UHFFFAOYSA-N 304.346 2.557 50 40 DFGB COc1ccc(CC(=O)N/N=C/c2ccc(C)s2)cc1OC 4735449 OCPIVLILPVFCGT-LICLKQGHSA-N 318.398 2.767 50 40 DFGB O=C(CN1CCCCC1)N/N=C/c1c(Cl)cccc1Cl 20248589 YVTSKMYKTBDTCF-RQZCQDPDSA-N 314.216 2.929 50 40 DFGB COc1ccc(C(=O)NNC(=S)Nc2ccccc2C)cc1 16268901 UIVPRPDNLOJHMF-UHFFFAOYSA-N 315.398 2.635 50 40 DFGB O=C(NN=C(c1ccccc1)c1ccccc1)c1ccc[nH]c1=O 8135522 KHXKHYSKPQKYTI-UHFFFAOYSA-N 317.348 2.557 50 40 DFGB CCCC(=O)Nc1cccc(N2C[C@@H](C(=O)Cl)CC2=O)c1 45953948 MLJFOMQCGHXLDE-JTQLQIEISA-N 308.765 2.544 50 40 DFGB NC(=O)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 5741244 HAGOUTPKFIJRKK-AWQFTUOYSA-N 310.332 2.831 50 40 DFGB COc1ccc(/C(C)=N/NC(=O)Cc2cccs2)cc1OC 12559678 BETHWCMWILVYPQ-GZTJUZNOSA-N 318.398 2.848 50 40 DFGB NNC(=O)/C=C/c1ccc(OCc2ccccc2)c(Cl)c1 226332308 GRZMUAYJVMYMOH-VQHVLOKHSA-N 302.761 2.922 50 40 DFGB CC(=O)N/N=C/c1cccc(OCCOc2ccc(C)cc2)c1 6788477 DLZZUQIQGYRAEX-CPNJWEJPSA-N 312.369 2.923 50 40 DFGB C/C(=N\NC(=O)c1ccccc1Cl)c1cc(O)ccc1O 100999541 VOUOCQIPKJKODO-RQZCQDPDSA-N 304.733 2.905 50 40 DFGB COc1ccc(Br)cc1/C=C(/C#N)C(=O)NC(C)C 111682203 ABASCSHTBYWFAJ-WDZFZDKYSA-N 323.190 2.889 50 40 DFGB COc1cccc(C(=O)N/N=C\c2ccc(C)c([N+](=O)[O-])c2)c1 34198973 USSJKFIIOMMDOP-YVLHZVERSA-N 313.313 2.676 50 40 DFGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C\c1ccc([N+](=O)[O-])cc1 34207442 KPAJWYDGZZITBI-ABJCYGQUSA-N 301.346 2.871 50 40 DFGB CCn1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c2ccccc21 409253915 CMCILHNSAOQNON-TYJAPOHBSA-N 321.380 2.845 50 40 DFGB Cc1ccc([C@H]2NN(c3nc(C)cc(C)n3)C(O)=C2C#N)cc1 14162629 SFMGPDWMHAMSFL-OAHLLOKOSA-N 307.357 2.761 50 40 DFGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccnc1 566158 QXQQHOBXGSSWCZ-KPKJPENVSA-N 324.296 2.544 50 40 DFGB CCOc1cc(NC(=O)CCl)c(OCC)cc1NC(C)=O 419870 VMSPWROLODMIKU-UHFFFAOYSA-N 314.769 2.620 50 40 DFGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(O)c(Cl)c1 409225810 LLIQHBNVZJPKNS-NVMNQCDNSA-N 306.724 2.878 50 40 DFGB COc1ccc(OCC(=O)N/N=C/c2cccc(Cl)c2)cc1 58938 AXWNUGLGHTXZMH-VCHYOVAHSA-N 318.760 2.878 50 40 DFGB C/C(=N/NC(=O)COc1ccccc1)c1ccc([N+](=O)[O-])cc1 17373680 JJPMKRWPOLQBJG-ATVHPVEESA-N 313.313 2.514 50 40 DFGB NC(=O)NNC(=O)N1c2ccccc2Sc2ccccc21 19015402 YXAGONWNPLECMW-UHFFFAOYSA-N 300.343 2.582 50 40 DFGB N#CC1=C(N)n2c(nc3ccccc32)N[C@H]1c1cccc(O)c1 20086153 DIWZIDHFAAKVMM-HNNXBMFYSA-N 303.325 2.560 50 40 DFGB NNC(=O)c1ccc(Cc2ccccc2)n1Cc1ccccc1 226027965 NWILHDNWOKUUNP-UHFFFAOYSA-N 305.381 2.731 50 40 DFGB FC(F)(F)C1(C(F)(F)F)[C@@H]2C[C@@H]3[C@@H]([C@H]2Br)N31 100114782 XKUBBXCEJQOOTG-PSEOZTEZSA-N 310.035 2.700 50 40 DFGB N#CC1=C(N)Oc2c(ccc3cccnc23)[C@@H]1c1cccnc1 405498 YUEJXNGYCSYOST-HNNXBMFYSA-N 300.321 2.848 50 40 DFGB O=C(N/N=C/c1cc2c(cc1Cl)OCO2)c1ccccc1F 135059 FYUPLYBRFXMGLB-CNHKJKLMSA-N 320.707 2.972 50 40 DFGB COc1ccc(CCCC(=O)N/N=C/c2ccncc2)c(C)c1 1021862 QRTPUQGGRNXTGY-DEDYPNTBSA-N 311.385 2.872 50 40 DFGB O=C(N/N=C/c1ccc(N2CCCCC2)o1)c1ccccc1O 60684641 NKUPNWZORWRVDO-LDADJPATSA-N 313.357 2.739 50 40 DFGB C/C(=N/NC(=O)c1ccccc1)c1cc2ccc(O)cc2oc1=O 13511232 HUAFJYJJYVLWNE-ODLFYWEKSA-N 322.320 2.653 50 40 DFGB O=C(N/N=C/c1ccccc1Cl)c1cccc([N+](=O)[O-])c1O 409080908 OKZYNPYIZKKENT-LZYBPNLTSA-N 319.704 2.718 50 40 DFGB CC(C)(C)OC(=O)N1CCC(N(C(=O)CCl)C2CC2)CC1 79392588 JWFKIMLIWRWZTM-UHFFFAOYSA-N 316.829 2.616 50 40 DFGB O=C(CCCC[C@H]1CCSS1)N1CCN(CCF)CC1 390831179 QHAOYCRADOYCLK-ZDUSSCGKSA-N 320.499 2.814 50 40 DFGB N#C/C(=C\c1cc(Cl)ccc1O)C(=O)NCc1ccco1 1100169 ADPAGDRCSWPEGR-IZZDOVSWSA-N 302.717 2.862 50 40 DFGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1OCC#N 8043455 NBNSWODCQPJDRA-UDWIEESQSA-N 323.352 2.670 50 40 DFGB N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)NCc1ccccc1 268378 MMEFDZQZCSTJGC-OVCLIPMQSA-N 306.321 2.639 50 40 DFGB O=C(c1cc2ccccc2oc1=O)N(CCCl)CCCl 1768249 PPGWDDXSNDIGLU-UHFFFAOYSA-N 314.168 2.713 50 40 DFGB CCCCC[C@@H]1[C@@H](O)CC[C@H]1CC(=O)N/N=C/c1cccnc1 4713517 DHFFALMXWOZKCL-AMNKSYIFSA-N 317.433 2.889 50 40 DFGB O=C(NNC(=O)c1cc2sccc2[nH]1)NC1CCCCC1 4966914 DYKIPKKFMXMHJC-UHFFFAOYSA-N 306.391 2.506 50 40 DFGB C/C(=N\NC(=O)c1ccc(C)cc1)c1ccc2c(c1)OCCO2 6683609 ANOYYSNKUJRIAY-CPNJWEJPSA-N 310.353 2.920 50 40 DFGB C/C(=N\NC(=O)c1ccccc1C)c1ccc2c(c1)OCCO2 6960001 HKRXLRLAIUSFDW-CPNJWEJPSA-N 310.353 2.920 50 40 DFGB O=C(N/N=C/c1ccccc1F)C(=O)Nc1ccc(Cl)cc1 59386469 ISXOOHVYORWBSD-GIJQJNRQSA-N 319.723 2.568 50 40 DFGB C[C@]12[C@@H]3[C@H]4[C@H](C5OCCO5)[C@@H]1[C@H]1[C@@H]4C[C@@H]3[C@H]1[C@@H]2Br 104202665 VJSDVKZQZQTYPX-LDRUAVTMSA-N 311.219 2.517 50 40 DFGB O=C1OC(=O)c2ccccc2/C1=C\Nc1ccccc1[N+](=O)[O-] 101534637 IQJRFHBSKDRHAO-FMIVXFBMSA-N 310.265 2.745 50 40 DFGB O=C(N/N=C/c1ccc(N2CCCC2)o1)c1ccc(F)cc1 59138211 ONNCVHBCBCXIFX-WOJGMQOQSA-N 301.321 2.783 50 40 DFGB C/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)C1CC1 5221348 RAPGSSWKBOPDBI-XSFVSMFZSA-N 308.381 2.825 50 40 DFGB O=C(Cc1ccc(F)cc1)NNC(=O)c1cc2ccccc2o1 8415389 PQSAZCNIUARZLF-UHFFFAOYSA-N 312.300 2.576 50 40 DFGB Cn1cc(/C=N/NC(=O)CNc2ccc(F)cc2)c2ccccc21 487150 JIFZLAYRIDGVFC-UFFVCSGVSA-N 324.359 2.880 50 40 DFGB COc1cccc(/C=N\NC(=O)COc2cccc(C)c2C)c1 30838790 VQIKOXABZRTABH-ODLFYWEKSA-N 312.369 2.841 50 40 DFGB O=S1[C@@H]2CC[C@H](Br)[C@H]1CC[C@@H]2Br 1570454 UUKHAQKRGSLCTN-RULNZFCNSA-N 316.058 2.587 50 40 DFGB COCCOc1cc2ncnc(Cl)c2cc1OCCCl 22054316 RORJMEOQKVOQBC-UHFFFAOYSA-N 317.172 2.926 50 40 DFGB in-vitro O=C(N/N=C1\CCCc2ccccc21)[C@H]1COc2ccccc2O1 5164206 IXORGLFHOVZXMD-KETZHDHUSA-N 322.364 2.683 50 40 DFGB CCc1ccc(NC(=O)C/C(C)=N/NC(=O)c2cccnc2)cc1 4815684 XEHRYYUTJRSZNR-FYJGNVAPSA-N 324.384 2.779 50 40 DFGB Cc1ccc(C(=O)NNC(=O)c2cc3c(s2)CCC3)cc1 5938380 QPMVGQDFLFZMBV-UHFFFAOYSA-N 300.383 2.620 50 40 DFGB COc1ccccc1/C=N\NC(=O)c1cn(C)c2ccccc12 33322904 GLRKANSHTYAVOF-ODLFYWEKSA-N 307.353 2.951 50 40 DFGB CCOC(=O)N[C@H](SC1=NCCS1)C(Cl)Cl 4154698 JWMCTGGADQIDAA-ZCFIWIBFSA-N 303.236 2.698 50 40 DFGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1O)c1cccc(Cl)c1 409085607 DXKVUHNXXSXOON-LZYBPNLTSA-N 319.704 2.718 50 40 DFGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(Cl)cc1 409048057 QTEOEIQNVRKVDN-GIJQJNRQSA-N 316.744 2.762 50 40 DFGB C=CCOc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1OC 3084017 XGGXMFOAPYPASZ-XSFVSMFZSA-N 324.380 2.953 50 40 DFGB N#C/C(=C(\O)Nc1ccccc1)S(=O)(=O)c1ccccc1 100943308 LDCLCPVUPVQEGM-CCEZHUSRSA-N 300.339 2.823 50 40 DFGB Cc1n[nH]c2c1[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 32506727 NUYKIYRBUGLBSQ-NSHDSACASA-N 304.712 2.729 50 40 DFGB CCCC(CCC)=NNC(=O)C(=O)Nc1cccc(OC)c1 59434228 ASVDVGIIMMYENO-UHFFFAOYSA-N 305.378 2.706 50 40 DFGB Cc1cc(C(=O)N/N=C/c2ccc(-c3ccccc3F)o2)[nH]n1 8026399 PGZSVSQQEGIBLO-GIJQJNRQSA-N 312.304 2.881 50 40 DFGB CC(C)(C)c1n[nH]c2c1[C@H](c1cccc(O)c1)C(C#N)=C(N)O2 5052098 VCHWAFBSBSAOHE-GFCCVEGCSA-N 310.357 2.631 50 40 DFGB COc1ccc(-c2cc(NC(=O)CCl)c(C(N)=O)s2)cc1 159982 QGSMHBSUKQMBJZ-UHFFFAOYSA-N 324.789 2.700 50 40 DFGB N/C(CSc1ccccn1)=N\NC(=O)c1ccc(Cl)cc1 4052267 JTRXASZNVZYXGH-UHFFFAOYSA-N 320.805 2.529 50 40 DFGB C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1ccc(N)cc1 5381538 KZXRFJFFQAFMIY-YBFXNURJSA-N 317.776 2.841 50 40 DFGB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N/N=C\c1ccc(O)cc1O)C2 32559928 JDYRNBZSLPHWPF-CAFKOEIJSA-N 314.385 2.930 50 40 DFGB CCC[C@@H](C(=O)NN)N1c2cc(OC)ccc2C(C)=CC1(C)C 223220909 XDARTLHPVXSTDJ-HNNXBMFYSA-N 317.433 2.856 50 40 DFGB COc1cccc(N/C=C(\C#N)C(=O)NCc2ccccc2)c1 101192748 ODFRXXFDVIWNIT-FYWRMAATSA-N 307.353 2.831 50 40 DFGB Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NNC(=O)C1CC1 75146553 PUAKCIKZCIQAND-LBPRGKRZSA-N 303.406 2.622 50 40 DFGB Cc1occc1C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1 5397464 IPIRICICQRFVKM-UHFFFAOYSA-N 323.308 2.587 50 40 DFGB Cc1ccc(C(=O)N/N=C\c2ccc(Br)o2)cn1 4724714 GKHQSQXHSHOYAZ-CHHVJCJISA-N 308.135 2.509 50 40 DFGB C[C@H](Oc1ccccc1)C(=O)N/N=C/c1ccc(N(C)C)cc1 1449756 CEPTYZLDUHLMNU-ITRAFESCSA-N 311.385 2.670 50 40 DFGB C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C\c1ccc(O)cc1 32508926 QRERZNXMAUVQGT-TZQXVGBESA-N 318.760 2.963 50 40 DFGB CCN(C(=O)CCl)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 79392531 GTSMEMIOWCPCOG-RYUDHWBXSA-N 318.845 2.910 50 40 DFGB O=C(Cc1c[nH]c2ccccc12)N/N=C\c1ccc2c(c1)OCO2 30738253 WALWJWAAPCIREK-UKWGHVSLSA-N 321.336 2.589 50 40 DFGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c(OC)c1 7516647 RWAJQJYNIMSHRX-KRWDZBQOSA-N 324.336 2.628 50 40 DFGB CC(=O)/C(C#N)=C1\NC(=O)[C@H](Cc2ccc(C)c(Cl)c2)S1 84460041 STOJBCRSBMZIEX-JMRXEAOASA-N 320.801 2.747 50 40 DFGB N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)Nc1ccccc1 2302933 YEDRSCKYZHHGMG-GXDHUFHOSA-N 322.320 2.696 50 40 DFGB NNC(=O)c1sc2cc(Br)ccc2c1Cl 2389244 IZHDLXIKGGNDIR-UHFFFAOYSA-N 305.584 2.921 50 40 DFGB C[C@@H]1CCc2sc(C(=O)NNC(=O)C[C@H]3C=CCC3)cc2C1 8023132 OQRDLGYUNOLYRK-NEPJUHHUSA-N 318.442 2.990 50 40 DFGB C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@H]3CC=CCC3)cc2C1 15762272 COPCWKAZYVMJRF-NEPJUHHUSA-N 318.442 2.990 50 40 DFGB O=C(Cl)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 45952470 IARRVPUXFLQLBI-SSDOTTSWSA-N 302.555 2.567 50 40 DFGB O=C(Cc1ccc2ccccc2c1)NNC(=O)c1ccccc1O 13006230 IRPJYLUPJHNAND-UHFFFAOYSA-N 320.348 2.549 50 40 DFGB CCOc1ccc(/C=N\NC(=O)c2ccco2)cc1OCC 104082496 YDBOPLISJIQTJA-BOPFTXTBSA-N 302.330 2.841 50 40 DFGB C#CCOc1cccc(/C=C(\C#N)C(=O)Nn2c(C)ccc2C)c1 409376928 CBNBCEFHEVOYLG-GZTJUZNOSA-N 319.364 2.794 50 40 DFGB CCOC(=O)c1sc2nc([C@H](C)Cl)[nH]c(=O)c2c1C 3336007 CDMCPVASTXPGJI-LURJTMIESA-N 300.767 2.770 50 40 DFGB CCN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@@H]1NC(=O)CCl 79390983 DLVAVQGHIRABDD-NWDGAFQWSA-N 318.845 2.910 50 40 DFGB O=C(N/N=C\c1ccccc1)c1cc(Br)ccc1O 33295953 SZAPZSKBPFXKBK-SXGWCWSVSA-N 319.158 2.919 50 40 DFGB C=C(C#N)[C@@H](O)/C(=N\Nc1ccccc1)C(=O)c1ccccc1 96319119 BVDSSCGREDPYML-GFXBCDTMSA-N 305.337 2.778 50 40 DFGB Cc1cc2c(cc1C)CN(CC(=O)N/N=C\c1cccs1)C2 8336807 WGKCKYVIUKCHNQ-LSCVHKIXSA-N 313.426 2.831 50 40 DFGB COc1cc(OC)cc(C(=O)N/N=C(\C)c2ccc(C)o2)c1 6685724 RBYXFECVQWRMLS-GZTJUZNOSA-N 302.330 2.759 50 40 DFGB O=C(NNc1ccc([N+](=O)[O-])cn1)Nc1ccc(Cl)cc1 6896334 YDTZMXBTSGZKST-UHFFFAOYSA-N 307.697 2.792 50 40 DFGB O=C(COc1cccc2cccnc12)N/N=C/c1ccccc1 59503466 LSFDDZISPVRAKG-UDWIEESQSA-N 305.337 2.764 50 40 DFGB N#C/C(=C\c1ccccc1Sc1ccccc1)C(=O)NC(N)=O 409228884 GPYFSTZYQSNLEZ-JLHYYAGUSA-N 323.377 2.940 50 40 DFGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccnn1C1CCCC1 253400989 MGEYIAWUSUVTHQ-INIZCTEOSA-N 324.384 2.813 50 40 DFGB Cc1cccc(/C=N/NC(=O)[C@@H](C)Nc2cccc(Cl)c2)n1 126349 HPCIFFKIHFTWCA-SGEFVQMOSA-N 316.792 2.994 50 40 DFGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)NCCO 4032031 SYWNOQDDLUDTJH-FMIVXFBMSA-N 316.744 2.615 50 40 DFGB CCP(=O)(c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 2307187 APDXPYBISKRJGD-UHFFFAOYSA-N 320.241 2.837 50 40 DFGB CN(C)c1ccc(/C=N\NC(=O)[C@H]2OCCc3ccccc32)cc1 26503725 CSDPVTSZGNBUAZ-YNGKYYQNSA-N 323.396 2.517 50 40 DFGB CCOc1ccc(/C=N\NC(=O)c2ccc(F)cc2)c(O)c1 4784628 VOLIUAOPWLIGOY-ZDLGFXPLSA-N 302.305 2.694 50 40 DFGB CC(C)CCc1ccc(C(=O)NN)n1Cc1ccc(F)cc1 226025350 VXSMOKJCLOMMLD-UHFFFAOYSA-N 303.381 2.868 50 40 DFGB CCOc1cc(Cl)cc(/C=N/NC(=O)c2ccncc2)c1O 569119 SNAFOHBTJSVJAN-GIJQJNRQSA-N 319.748 2.603 50 40 DFGB N#CCn1cc(/C=N\NC(=O)c2cccs2)c2ccccc21 108272056 ZLKWQHBRFSFBAL-ZDLGFXPLSA-N 308.366 2.990 50 40 DFGB Cc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCCO3)s1 506722 IGIZYZMHUYYVJM-CXUHLZMHSA-N 302.355 2.592 50 40 DFGB CCOc1ccccc1OCC(=O)N/N=C/c1ccc(C)s1 5953835 TXHCXBKQMBNZIJ-LICLKQGHSA-N 318.398 2.984 50 40 DFGB COc1cc(OC)cc(C(=O)N/N=C/c2ccccc2F)c1 8339561 FQDRLDWWATTYRY-VCHYOVAHSA-N 302.305 2.607 50 40 DFGB CCCCN1C(=O)/C(=N\NC(=O)c2ccco2)c2ccccc21 100175899 DCOJWLIMDKBWQB-SDXDJHTJSA-N 311.341 2.560 50 40 DFGB COc1ccc(/C(C)=N/NC(=O)c2ccc(C)o2)cc1[N+](=O)[O-] 59503477 MRQWRUOGCYUPAD-MHWRWJLKSA-N 317.301 2.659 50 40 DFGB CCCc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)s1 5130866 APVGLASEONQZEZ-ZDUSSCGKSA-N 300.387 2.950 50 40 DFGB COc1cccc2c1N([C@@H](C(=O)NN)C(C)C)C(C)(C)C[C@@H]2C 223214827 PEHXGDXGBWKFFI-SWLSCSKDSA-N 319.449 2.802 50 40 DFGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cccc2cc[nH]c12 243420 CNSBVLDLBBVAKM-VCHYOVAHSA-N 308.297 2.840 50 40 DFGB CN(C)P(=O)(NNc1ccccc1)NNc1ccccc1 33354330 KGCQNKAOZFPTRT-UHFFFAOYSA-N 305.322 2.890 50 40 DFGB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)N/N=C/c1ccc(O)c(O)c1)C2 101335288 CSDRVEKUFJFQPS-VTXJYZGHSA-N 314.385 2.930 50 40 DFGB O=C1O[C@H]2C[C@]34CCCC[C@@]3(C[C@H]2I)[C@@H]14 104282066 PEFIJDLONBYQKX-YYTHCXKUSA-N 318.154 2.686 50 40 DFGB COc1ccc(Cl)cc1C(=O)N/N=C(\C)c1ccccn1 5381732 BOAXGIXVMMKQOT-VCHYOVAHSA-N 303.749 2.898 50 40 DFGB O=C(N/N=C\c1ccc(Br)cc1)c1ccccn1 33089272 ZSLYYVGHLWKLKC-SXGWCWSVSA-N 304.147 2.608 50 40 DFGB CCOC(=O)C1=C(C)NC(SC)=C(C#N)[C@@H]1c1cccnc1 19804756 NFLWWSQQBSOSKL-AWEZNQCLSA-N 315.398 2.704 50 40 DFGB COc1ccc(/C(C)=N/NC(=O)CNc2ccc(C)cc2)cc1 223147 PAUIQOQMSAGFAE-XSFVSMFZSA-N 311.385 2.956 50 40 DFGB CC(/C=C/c1ccc2c(c1)OCO2)=N/NC(=O)c1ccncc1 4934954 WXPVHXJUELQPNG-JAUJIFBVSA-N 309.325 2.629 50 40 DFGB Cc1cc(C)cc(O[C@H](C)C(=O)N/N=C\c2ccccc2O)c1 54202486 UFNSUMBZJMFPRG-AXLWCPOOSA-N 312.369 2.927 50 40 DFGB O=C(N/N=C/c1cccn1-c1ccc(F)cc1)c1ccncc1 523657 OYMYDGXLXHRQSB-UDWIEESQSA-N 308.316 2.775 50 40 DFGB C[C@@]12[C@@H]3[C@H]4[C@H](C5OCCO5)[C@@H]1[C@H]1[C@@H]4C[C@@H]3[C@H]1[C@@H]2Br 104202663 VJSDVKZQZQTYPX-FRNTUTRESA-N 311.219 2.517 50 40 DFGB Cc1cc(C(=O)N/N=C/c2ccc(-n3ccnc3)cc2)c(C)o1 7900048 YBOTUKFUHAZKBE-VXLYETTFSA-N 308.341 2.846 50 40 DFGB Cc1ccc(N2C(S)=C(C#N)C(=O)N[C@H]2c2ccco2)cc1 4116936 VFIRJYJMECEAGF-CQSZACIVSA-N 311.366 2.888 50 40 DFGB Cc1ccc(OCC(=O)N/N=C\c2cc(C)ccc2O)c(C)c1 13945550 GWUGPAUWCXDYSM-GRSHGNNSSA-N 312.369 2.847 50 40 DFGB C/C(=N\NC(=O)c1ccccc1Cl)c1ccc(O)cc1O 4600147 YHSISCQXEJGUNG-RQZCQDPDSA-N 304.733 2.905 50 40 DFGB Cc1occc1C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2 5823830 LOGZOFIOLLJFHY-VIFPVBQESA-N 318.398 2.849 50 40 DFGB COc1ccc([C@@H]2NC(=O)NC(C(C)(C)C)=C2C#N)c(OC)c1 409368267 WEXKKTSXLUCYAY-AWEZNQCLSA-N 315.373 2.881 50 40 DFGB N#C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccccc1 33362173 QLOXXULZNHGFCU-VBKFSLOCSA-N 321.336 2.861 50 40 DFGB O=C(CCl)N1CC[C@@H](CN(Cc2ccccc2)C2CC2)C1 79415078 PQPPIVQORHGLPD-OAHLLOKOSA-N 306.837 2.738 50 40 DFGB C=CCc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(OC)c1O 193407850 DLJYCLZLPCIQIN-XNTDXEJSSA-N 312.369 2.659 50 40 DFGB O=C(N/N=C/c1cccc(O)c1)c1ccc(Br)cc1 580985 DAKCDXOKUOSPMR-CXUHLZMHSA-N 319.158 2.919 50 40 DFGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(O)cc2)[C@H]2CCCC=C12 19287766 ZOCRMFXOQMNDGL-DOTOQJQBSA-N 316.364 2.986 50 40 DFGB O=C(COc1ccccc1-c1ccccc1)NNc1ncccn1 44715591 VGJVVCXNPQEYJT-UHFFFAOYSA-N 320.352 2.666 50 40 DFGB C/C(=N\NC(=O)c1cccc(C)c1)c1ccc2c(c1)OCCO2 408586556 CMXNALMEXDIGHX-CPNJWEJPSA-N 310.353 2.920 50 40 DFGB COc1cc(/C=C(\C#N)C(=O)Nc2nccs2)cc(OC)c1 13141307 MMQXRWMVKZTJOG-VZUCSPMQSA-N 315.354 2.706 50 40 DFGB Cc1cc(C(=O)NNC(=O)CCCc2cccs2)c(C)o1 8278769 WYXOOFXJFXQJLX-UHFFFAOYSA-N 306.387 2.742 50 40 DFGB COc1ccc(C(=O)N/N=C/c2c[nH]c3ccccc23)c(O)c1 409390863 GAAKYJPXJSWVQA-VXLYETTFSA-N 309.325 2.646 50 40 DFGB CC(C)[C@@H](C(=O)NN)N1c2ccc(F)cc2[C@H](C)CC1(C)C 260625023 YAEVTWKJZRPQBO-ABAIWWIYSA-N 307.413 2.932 50 40 DFGB COc1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)c(OC)c1 5730047 ABXNPFIDBFQMEO-DZQJOEFFSA-N 316.401 2.980 50 40 DFGB CN(C)c1ccc(/C=N\NC(=O)c2ccc(O)cc2)c(Cl)c1 17023769 QVCHUYQXTXEIGL-ZDLGFXPLSA-N 317.776 2.876 50 40 DFGB COc1ccc(/C(C)=N/NC(=O)c2ccccc2)cc1[N+](=O)[O-] 5621175 RGWXJCNIUYDDDX-GZTJUZNOSA-N 313.313 2.757 50 40 DFGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 100030282 VWLWWWJEAAZRFM-KBEVBYFBSA-N 301.346 2.871 50 40 DFGB CC(C)C(=O)NNC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 500023 DMWUHWSSZSUNAW-KRWDZBQOSA-N 322.408 2.796 50 40 DFGB Cc1ccc(-c2cc(C(=O)NN)nn2-c2ccc(C)cc2)cc1 408724067 DNNZQUKIRDJFEY-UHFFFAOYSA-N 306.369 2.760 50 40 DFGB CC(C)(C)OC(=O)N1C[C@@H](CBr)C(F)(F)C1 199921525 NDOCPWIURFRGGS-SSDOTTSWSA-N 300.143 2.884 50 40 DFGB Cc1ccc2cc(/C=C(\C#N)C(N)=O)c(N3CCCCC3)nc2c1 25330034 AAISUDVSXFOHOW-LFIBNONCSA-N 320.396 2.926 50 40 DFGB C#CCOc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1CC=C 408774163 AMDSAAZTLVTUMW-ATVHPVEESA-N 308.381 2.859 50 40 DFGB N#CCn1cc(/C=N/NC(=O)Cc2ccccc2)c2ccccc21 409377756 JRATWIGAZRQNDK-FYJGNVAPSA-N 316.364 2.858 50 40 DFGB O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 36174603 GITNAWKUABCSDF-LZYBPNLTSA-N 319.704 2.718 50 40 DFGB CC/C(C)=N/NC(=O)c1ccc(C(=O)N/N=C(\C)CC)cc1 5727567 LHFDONMZNRBFOP-JYFOCSDGSA-N 302.378 2.718 50 40 DFGB C[C@H](Cl)C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F 2635294 GQLDIJLGGGBPED-QMMMGPOBSA-N 322.714 2.730 50 40 DFGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(N)=O)o1 33402603 YJSGLCADXSMIDB-LCYFTJDESA-N 318.336 2.833 50 40 DFGB C[C@@]12[C@@H](Br)[C@@H]3[C@H]4C[C@@H]5[C@H]([C@H](C6OCCO6)[C@@H]1[C@@H]53)[C@@H]42 104202660 VJSDVKZQZQTYPX-QKNFJAPOSA-N 311.219 2.517 50 40 DFGB COc1cc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@@]23C)ccc1O 4697746 QXRPAXQHBHNUDQ-QYGPUGPKSA-N 302.374 2.677 50 40 DFGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 408971406 NXLQUKUFWKGJGL-XRZDQELQSA-N 317.345 2.577 50 40 DFGB COc1cc(O)ccc1/C=C(\C#N)c1nnc2n1CCCCC2 11288333 YVXLJJZURQBGEU-UKTHLTGXSA-N 310.357 2.783 50 40 DFGB O=C(O)c1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1 5583597 KVPOPYGDAWRTLJ-RQZCQDPDSA-N 302.717 2.802 50 40 DFGB O=C(N/N=C/c1ccc2cccc(O)c2n1)c1ccc(F)cc1 42986 KMUAHUUQSQGNPF-VXLYETTFSA-N 309.300 2.843 50 40 DFGB Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc1C 20086824 DJPXXPFBYHWCAC-MRXNPFEDSA-N 321.380 2.529 50 40 DFGB COc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1OC 564214 DKVWZXFHKZRLEC-MDWZMJQESA-N 312.325 2.520 50 40 DFGB O=C(N/N=C/c1cccc2c1OCCO2)c1ccccc1Cl 54860870 YXHIISKIINOREU-VCHYOVAHSA-N 316.744 2.875 50 40 DFGB O=C1[C@@H]2C[C@@H](Cl)CN2C(=O)N1c1cccc(C(F)(F)F)c1 3125703 GKCZUFDGCLUNRE-SCZZXKLOSA-N 318.682 2.854 50 40 DFGB CCN(CC)C(=O)c1sc2nc(CCl)[nH]c(=O)c2c1C 3335925 XNPCXDSYEQLGFL-UHFFFAOYSA-N 313.810 2.514 50 40 DFGB Cc1oc(/C=N/NC(=O)c2ccccc2O)cc1Br 408827545 KGWSJUVBSUUDEV-VIZOYTHASA-N 323.146 2.820 50 40 DFGB N#Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccn3)o2)cc1 4545303 MWZQCWKBQXAMDQ-CIAFOILYSA-N 316.320 2.977 50 40 DFGB CC(C)COc1ccc(C(=O)NNc2ncc(Cl)cn2)cc1 72427689 DVGACDOKGIWQIR-UHFFFAOYSA-N 320.780 2.922 50 40 DFGB COC(=O)/C(C)=C(/CCC1(C)OCCO1)O[Si](C)(C)C 195517328 MTGBZTUPUUIXSN-QXMHVHEDSA-N 302.443 2.828 50 40 DFGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1ccc(O)c(O)c1 96767438 AEJJEOHHXUPABQ-KGTXMHTLSA-N 300.358 2.700 50 40 DFGB CCOc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OC 6960400 LFERQVHXLGVAQD-GZTJUZNOSA-N 318.398 2.848 50 40 DFGB CCOC(=O)C1=C(C)N2CCSC2=C(C#N)[C@H]1c1ccco1 170622635 CWQTWBPHABFZGT-AWEZNQCLSA-N 316.382 2.998 50 40 DFGB COc1ccc2[nH]c(C(=O)N/N=C/c3ccc(O)cc3)cc2c1 9614560 NSEDUSNEJYBSEU-VCHYOVAHSA-N 309.325 2.646 50 40 DFGB IC[C@@H]1CCN(Cc2ccccc2)C1 79436731 CCPNKEFRWXUSGF-LBPRGKRZSA-N 301.171 2.944 50 40 DFGB COc1ccc([C@H]2C(C#N)=C(N)Oc3ccccc32)cc1OC 7516616 CSABRSQCTLAAIE-QGZVFWFLSA-N 308.337 2.922 50 40 DFGB COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(C(=O)O)cc1 44867270 QTZVPKUWYHIZBR-UVTDQMKNSA-N 322.320 2.939 50 40 DFGB C[C@H](Oc1ccccc1)C(=O)N/N=C/c1ccccc1OCC#N 23410747 YWSVOKILVVHQOM-ZXOFLVKFSA-N 323.352 2.507 50 40 DFGB CC(=O)Oc1ccc(/C(C)=N\NC(=O)c2cc(C)oc2C)cc1 4550487 CZWPXWPKXUQROI-WQRHYEAKSA-N 314.341 2.976 50 40 DFGB CCN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)CCl 79392525 VWPMLIIBSAMMTR-GFCCVEGCSA-N 318.845 2.721 50 40 DFGB N#C/C(=C\c1cc(F)c(F)c(Cl)c1F)C(=O)NC1CC1 255190052 UQYTWLDRZYYYMY-XVNBXDOJSA-N 300.667 2.943 50 40 DFGB O=C(O)c1ccc(/C=N/NC(=O)c2c[nH]c3ccccc23)cc1 3474207 XEPMULQFMOQDSG-DJKKODMXSA-N 307.309 2.630 50 40 DFGB CCOc1ccc(C(=O)N/N=C/c2ccc(OC)c(O)c2)cc1 250988 MQZGPLMMQUUVBZ-WOJGMQOQSA-N 314.341 2.563 50 40 DFGB ICC1(CI)CC1 100074332 NAEWACGRLOFYKO-UHFFFAOYSA-N 321.927 2.637 50 40 DFGB COc1ccc(/C=N/NC(=O)c2cccc3cc[nH]c23)cc1O 3169229 HFIKRHZIORYZHL-VXLYETTFSA-N 309.325 2.646 50 40 DFGB COc1ccc(/C=N/NC(=O)c2ccccc2F)cc1OC 3282732 AXAHNPZQOMQWHS-VCHYOVAHSA-N 302.305 2.607 50 40 DFGB CCOC(=O)c1ccc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc1 408976564 GFZQRRLPXLCSKM-MHWRWJLKSA-N 323.352 2.924 50 40 DFGB CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)OC)c1C 16223646 UZUUGRSTJCZJBV-NCPSJORJSA-N 318.373 2.527 50 40 DFGB O=C(Cc1ccc(Cl)cc1)NNC(=S)c1ccccc1 96298942 FSHIHSPGOWIMDH-UHFFFAOYSA-N 304.802 2.879 50 40 DFGB C[C@]12[C@@H](Br)[C@@H]3[C@H]4C[C@@H]5[C@H]([C@H](C6OCCO6)[C@@H]1[C@@H]53)[C@@H]42 104202656 VJSDVKZQZQTYPX-JXJLWWLRSA-N 311.219 2.517 50 40 DFGB Cc1ccc(/C=N/NC(=O)c2nc(-c3cccs3)no2)cc1 2730977 ILPDNBNYBXVKTI-CXUHLZMHSA-N 312.354 2.870 50 40 DFGB Cc1c(Cl)cccc1NC(=S)NNC(=O)c1cccnc1 1405707 RWXUDGMKFCVSFZ-UHFFFAOYSA-N 320.805 2.675 50 40 DFGB C[C@H](Br)C(=O)Nc1c(F)c(F)cc(F)c1F 65335490 AMEFKRYFJCUSNZ-VKHMYHEASA-N 300.049 2.965 50 40 DFGB Cc1ccc(-n2c(C)cc(C(=O)NN)c2C)c(Br)c1 223704995 MWCSCYIGUNORNL-UHFFFAOYSA-N 322.206 2.769 50 40 DFGB C[C@@H]1C[C@@H](C)OC([C@H](Br)CBr)O1 5662647 WFQKYCNLFRLJNC-FSDSQADBSA-N 302.006 2.685 50 40 DFGB N#C/C(=C\c1ccc(-c2ccccc2)o1)C(=O)N1CCOCC1 358363 BBILKMFHGFCSNU-NTCAYCPXSA-N 308.337 2.712 50 40 DFGB Cc1ccc(CC(=O)NNC2=CC(=O)C[C@H](c3ccco3)C2)cc1 4672922 UMACIZGWKSGHBN-OAHLLOKOSA-N 324.380 2.782 50 40 DFGB O=C(CCl)Nc1ccccc1C(=O)NCc1ccccc1 8390404 VRXUIZRKYOIVJF-UHFFFAOYSA-N 302.761 2.794 50 40 DFGB O=C(NN(Cc1ccccc1)c1ccccc1)c1ccc[n+]([O-])c1 32256940 FCRDTYURDDYBGS-UHFFFAOYSA-N 319.364 2.672 50 40 DFGB C[C@H](Cl)C(=O)Nc1cc(N2CCOCC2)ccc1Cl 34776780 XVLMEWDXLMSTQD-VIFPVBQESA-N 303.189 2.742 50 40 DFGB C/C(CC(=O)Nc1ccccn1)=N\NC(=O)CCc1ccccc1 100510129 VDKNROSEGQBUMF-KGENOOAVSA-N 324.384 2.535 50 40 DFGB Cc1ccc(NC(=O)NNC(=O)c2cccc(O)c2)cc1Cl 10109399 NWPDHEOIWODAAY-UHFFFAOYSA-N 319.748 2.821 50 40 DFGB C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccccc1O 5921554 XNDWEFVHKLJOQH-GZTJUZNOSA-N 313.313 2.763 50 40 DFGB CO[C@](F)(Br)[C@@H](Br)C(F)(F)F 8698394 PUPKPTWIRXQRGR-GBXIJSLDSA-N 303.875 2.977 50 40 DFGB CC[C@@H](C)Oc1ccccc1/C=C(\C#N)C(=O)N1CCOCC1 408601238 JGHFZUQBNHHRCA-RGHBXIHOSA-N 314.385 2.630 50 40 DFGB Cc1ccc(CC(=O)N/N=C\c2ccccc2[N+](=O)[O-])c(C)c1 216045694 SYQVOEDTYYZCKE-WQRHYEAKSA-N 311.341 2.904 50 40 DFGB C[C@H](Oc1ccccc1)C(=O)N/N=C\c1ccccc1OCC#N 4544385 YWSVOKILVVHQOM-DABDWFRDSA-N 323.352 2.507 50 40 DFGB COC(=O)c1ccccc1N/C=C(\C#N)C(=O)Nc1ccccc1 8974852 FCIMEQGPXGOJFB-OUKQBFOZSA-N 321.336 2.931 50 40 DFGB CCOc1ccc(/C=N/NC(=O)c2ccncc2)cc1Cl 4740724 PTOHPURQBKPTIN-VCHYOVAHSA-N 303.749 2.898 50 40 DFGB CCOc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1O 6960069 FCRQQNAVKQSXCD-RVZJCZPVSA-N 323.352 2.548 50 40 DFGB O=[N+]([O-])c1cc(CBr)nc(CBr)c1 100256715 BKPAQJZMCNNKBW-UHFFFAOYSA-N 309.945 2.780 50 40 DFGB COc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1O 3244780 PCWSWQBDIUPWEG-OQLLNIDSSA-N 308.337 2.624 50 40 DFGB O=C(N/N=C/c1cc2c(cc1Cl)OCO2)c1ccccc1 408897848 ZVWJFNBTUZDEJW-CAOOACKPSA-N 302.717 2.833 50 40 DFGB O=C(Cn1cnc2ccccc21)NN=C1C2CC3CC(C2)CC1C3 5267368 LAGDJCAFLAPCOV-UHFFFAOYSA-N 322.412 2.965 50 40 DFGB CC[C@H](C(=O)N/N=C/c1ccc(F)s1)n1cc(Cl)cn1 252501926 ULOOQOFCXNHTNO-UWJMNNEMSA-N 314.773 2.839 50 40 DFGB O=C1c2cc(F)cc(Br)c2O[C@@H]1Br 169797329 QJPGQFYSBJEOFR-QMMMGPOBSA-N 309.916 2.884 50 40 DFGB CO[C@@H]1[C@H](Br)[C@](C)(OC)c2ccccc2N1C#N 5390268 GLYBQGPDICIFIK-YNEHKIRRSA-N 311.179 2.585 50 40 DFGB C=CCN1C(=O)/C(=N\NC(=O)c2ccc(C)cc2)c2ccccc21 5730483 IQSBJBGBENJIBJ-JZJYNLBNSA-N 319.364 2.662 50 40 DFGB CCCN1C(=O)/C(=N/NC(=O)Cc2ccccc2)c2ccccc21 100847610 BQNXFRQXOYDOAF-DYTRJAOYSA-N 321.380 2.506 50 40 DFGB N#CC1=C(N)N2C(=C(C#N)[C@@H]1c1ccncc1)Nc1ccccc12 492662 NBJPDJFRXMHKFI-MRXNPFEDSA-N 312.336 2.540 50 40 DFGB CN(C)c1ccc(/C=N/NC(=O)c2cccc3cc[nH]c23)cc1 493481 CTOKMIQHFQQZTC-UDWIEESQSA-N 306.369 2.998 50 40 DFGB Cc1cc(N(C)NC(=O)c2ccccc2)nc(Cl)c1C#N 12446170 HPRFPJFHDBORFV-UHFFFAOYSA-N 300.749 2.696 50 40 DFGB Cc1cc(OCC(=O)N/N=C/c2ccncc2)cc(C)c1Cl 345358 SIFZXKVAWLKEQN-DJKKODMXSA-N 317.776 2.881 50 40 DFGB Cc1cc(C)n(CC(=O)N/N=C/C2=CC[C@H]3C[C@H]2C3(C)C)n1 102950808 OSKZAFLEYURSLU-ITJJDDKSSA-N 300.406 2.594 50 40 DFGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)CC#N)c2C)cc1 59197366 SEBYXIGSEJWGML-UDWIEESQSA-N 324.384 2.857 50 40 DFGB CC[C@H](Br)C(=O)OC[C@@H]1CCCN2CCCC[C@H]12 4028187 IPAPBHNJJZLKKE-RWMBFGLXSA-N 318.255 2.968 50 40 DFGB biogenic O=C(N/N=C\c1ccccc1Cl)c1cc([N+](=O)[O-])ccc1O 16449113 LPSJKVLOSPLGKI-PXNMLYILSA-N 319.704 2.718 50 40 DFGB C/C(CC(=O)Nc1cc(C)ccn1)=N\NC(=O)C1CCCCC1 6444260 ZPLXDXOSJHPAOQ-DEDYPNTBSA-N 316.405 2.791 50 40 DFGB COc1ccc(CCN/C=C(/C#N)C(=O)C(C)(C)C)cc1OC 100683516 OITBYSOHKGZUNM-OWBHPGMISA-N 316.401 2.859 50 40 DFGB COc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OCC(C)C 6827239 FHBDOAHQYSCUIP-RIYZIHGNSA-N 314.385 2.916 50 40 DFGB C/C(=N\NC(=O)NC1CCCCC1)c1ccc2c(c1)OCO2 6049439 VOBDFDGOSBBSQC-WOJGMQOQSA-N 303.362 2.771 50 40 DFGB CCOC(=O)/C(C#N)=C/c1cc2c(cc1Br)OCO2 2173599 BKFSWJDJECHKBE-YCRREMRBSA-N 324.130 2.648 50 40 DFGB COc1cccc(/C=N/NC(=O)CCCc2ccc(O)cc2)c1 5880419 IBXXJHKPVFJPGV-CPNJWEJPSA-N 312.369 2.874 50 40 DFGB CN1/C(=C\C=N\NC(=O)c2cnccn2)C(C)(C)c2ccccc21 12524352 IGNOUMPHLBBWKC-BLNPFENISA-N 321.384 2.504 50 40 DFGB Cc1cc(NC(=O)CCl)n(-c2nc3ccccc3s2)n1 3260059 VUIIJNBMDNCBKS-UHFFFAOYSA-N 306.778 2.968 50 40 DFGB CC[C@@H](C)n1nccc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 253398757 HKHRCBUNFOBBQI-MEBBXXQBSA-N 312.373 2.669 50 40 DFGB C=CCN1C(=O)/C(=N\NC(=O)Nc2ccccc2)c2ccccc21 5685811 FVZUDWZVXXRBDB-SILNSSARSA-N 320.352 2.745 50 40 DFGB COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)cc1 481855 LHBYNQYBYJZWKB-ZDUSSCGKSA-N 324.384 2.934 50 40 DFGB C/C(=N\NC(=O)COc1ccccc1[N+](=O)[O-])c1cccs1 5005883 KAROZLRHSIQVPO-XNTDXEJSSA-N 319.342 2.576 50 40 DFGB Cc1ccsc1/C=N/NC(=O)C(=O)Nc1ccc(Cl)cc1 4703141 UJXLSEBEIIKJJS-LZYBPNLTSA-N 321.789 2.799 50 40 DFGB CN(C)c1ccc(/C=N/NC(=O)CSCc2ccccc2)o1 408996547 PYCDHJCYWZWABP-LICLKQGHSA-N 317.414 2.729 50 40 DFGB C/C(=N\NC(=O)CC#N)c1ccc(NC(=O)c2ccccc2)cc1 408719874 NQJVALMPEYKXMD-FYJGNVAPSA-N 320.352 2.693 50 40 DFGB CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(N)=O)o2)cc1 33876128 MBLIBJYAHCLFOU-LCYFTJDESA-N 310.309 2.516 50 40 DFGB Cc1ccc(C(=O)N/N=C\c2cccc(Br)c2)cn1 30802853 DYMVPFLLODYTKV-IUXPMGMMSA-N 318.174 2.916 50 40 DFGB CC(C)[C@H](Br)C(=O)Nc1ccc([N+](=O)[O-])cc1O 61997502 MOHQQPADHLTHGK-JTQLQIEISA-N 317.139 2.658 50 40 DFGB COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 59447396 WXJNLSLAANWFJL-LICLKQGHSA-N 313.313 2.676 50 40 DFGB Cc1cc(C)nc(NNC(=O)c2cccc(-n3cccc3)c2)n1 22235055 RTIVLGNPBKOOIB-UHFFFAOYSA-N 307.357 2.641 50 40 DFGB Cc1ccc(C)c(NC(=O)CCC(=O)N/N=C/c2ccc[nH]2)c1 2132353 VJKSZOBTOWEXDC-YBFXNURJSA-N 312.373 2.501 50 40 DFGB O=C(NN=C1C2CC3CC(C2)CC1C3)c1n[nH]c2c1CCCC2 10852034 SBAROVGIRXFQTI-UHFFFAOYSA-N 312.417 2.830 50 40 DFGB COc1ccc2ccccc2c1/C=C(/C#N)C(=O)N1CCOCC1 33324128 CKCHIMUDNOLFPI-QINSGFPZSA-N 322.364 2.614 50 40 DFGB O=C(Cc1cccc2ccccc12)NNC(=O)c1ccccc1 5899616 TXRDTVOHAPDLLK-UHFFFAOYSA-N 304.349 2.844 50 40 DFGB CN1C(=O)[C@H](Br)[C@@H](Br)c2ccccc21 1700650 GLGCGJOOASZSEV-DTWKUNHWSA-N 318.996 2.863 50 40 DFGB CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1I 1720148 SGNUQPHCBJCFJK-RKDXNWHRSA-N 309.191 2.895 50 40 DFGB NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 3319664 RTPSSVUZFOCYHZ-UHFFFAOYSA-N 317.348 2.604 50 40 DFGB O=C=NCCNC(=O)OCC1c2ccccc2-c2ccccc21 1565504765 DDZXVJUSUSMEJG-UHFFFAOYSA-N 308.337 2.861 50 40 DFGB O=C(CBr)Nc1nc2cc(F)cc(F)c2s1 152840 PPTYBCITWVFSCG-UHFFFAOYSA-N 307.119 2.908 50 40 DFGB N#CC(C#N)=Cc1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1 59109309 YEVLJGKHSCQNBY-UHFFFAOYSA-N 308.249 2.774 50 40 DFGB O=C(CCc1ccccc1)NNC(=O)c1ccc(Cl)cc1 4700042 LAIAFKIOQRASKP-UHFFFAOYSA-N 302.761 2.734 50 40 DFGB COc1cc(/C=C(/C#N)C(=O)N2CCCCC2)c(Cl)cc1O 2775412 LOWHHEWTHAVBRI-GHXNOFRVSA-N 320.776 2.974 50 40 DFGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2O)ccc1O 141749 UJFGQFJVAPMCHZ-XYOKQWHBSA-N 310.309 2.652 50 40 DFGB CCC[C@@H](/C=N/NC(=O)C(=O)N/N=C\[C@H](CC)CCC)CC 17313569 XFQSKSVYAFLVMO-GQXNTQJHSA-N 310.442 2.843 50 40 DFGB O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCC1 21285375 QNUUKVVBIHWBHO-UHFFFAOYSA-N 303.240 2.857 50 40 DFGB COc1cc(Cl)cc(/C=N/NC(=O)c2ccccc2)c1O 43438 RZMUBHSDWGPXJW-RQZCQDPDSA-N 304.733 2.818 50 40 DFGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1O 242381 BWGMKYDVZHMHBC-XYOKQWHBSA-N 309.281 2.846 50 40 DFGB O=P(c1ccccc1)(c1ccccc1)c1ccccc1CO 101508909 OPUKMPBHDPGXMM-UHFFFAOYSA-N 308.317 2.818 50 40 DFGB N#C/C(=C/C1=Cc2ccccc2OC1)C(=O)NCc1cccnc1 572302 ATFXUOBAXCMOFR-MFOYZWKCSA-N 317.348 2.624 50 40 DFGB O=C1CCCC2=C1CCC(=O)N2CCCCBr 117035886 RRUVZSXVFFLOAR-UHFFFAOYSA-N 300.196 2.791 50 40 DFGB Cc1ccc(C(=O)NNC(=O)c2ccc(OCC(C)C)cc2)o1 7779046 MYXOEHHUKYNIPY-UHFFFAOYSA-N 316.357 2.698 50 40 DFGB CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(C(N)=O)cc2)o1 4700067 RKMVMMFWOVMCIR-LCYFTJDESA-N 310.309 2.516 50 40 DFGB O=C(N/N=C\c1ccc([N+](=O)[O-])c(O)c1)c1ccc(Cl)cc1 36174665 KHNAGKNUNSARCQ-PXNMLYILSA-N 319.704 2.718 50 40 DFGB O=C(NNC(=O)c1ccccc1)N[C@@H]1CCCc2ccccc21 45128119 VDKNCJHGAPTJFD-MRXNPFEDSA-N 309.369 2.708 50 40 DFGB O=C(CCl)N1OC[C@H]2COc3ccc4ccccc4c3[C@H]21 3883348 UIBVDTANHAJVSU-BZNIZROVSA-N 303.745 2.902 50 40 DFGB CCSC1=C(C#N)[C@@H](c2ccc(OC)c(OC)c2)CC(=O)N1 181209 VRHRTIGJQZCFEL-LLVKDONJSA-N 318.398 2.796 50 40 DFGB COc1ccc(C(=O)N/N=C/c2ccc(Br)o2)cc1 244430 DDKZUWCYBUIKRK-OVCLIPMQSA-N 323.146 2.815 50 40 DFGB COc1cc(/C=N/NC(=O)CC#N)ccc1OCc1ccccc1 267346 JWHJTAIQEXACEV-UDWIEESQSA-N 323.352 2.638 50 40 DFGB COc1ccccc1C(=O)N/N=C/c1ccc(N2CCCC2)o1 59138259 BHOPERLSVJBSOP-LDADJPATSA-N 313.357 2.652 50 40 DFGB COc1ccc([C@@H]2C(C#N)=C(N)Nc3nc4ccccc4n32)cc1 13122637 GKQXKVDOJPDFAD-MRXNPFEDSA-N 317.352 2.754 50 40 DFGB aggregator O=C(N/N=C/c1ccccc1O)c1ccc(Cl)c([N+](=O)[O-])c1 486679 DISDRGWMALYNEH-LZYBPNLTSA-N 319.704 2.718 50 40 DFGB COc1cc(CBr)c([N+](=O)[O-])c(OC)c1OC 166502555 YTGUADHVVKFZAP-UHFFFAOYSA-N 306.112 2.516 50 40 DFGB O=C(CCl)N[C@@H]([C@@H]1CCCCC1=O)C(Cl)(Cl)Cl 278437 CKHMIEINFVLYOP-MUWHJKNJSA-N 321.031 2.840 50 40 DFGB O=C(NNC(=O)c1ccncc1)Nc1cccc2ccccc12 1669571 MLJFIOQCVSUJRM-UHFFFAOYSA-N 306.325 2.701 50 40 DFGB CCOc1cccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c1 408599251 QWPJMIAVLAOLBA-GZTJUZNOSA-N 313.313 2.757 50 40 DFGB O=C(Cl)[C@@H]1CC(=O)N(c2ccc(N3CCCCC3)cc2)C1 45954058 UBZVQAZHVDRCOE-GFCCVEGCSA-N 306.793 2.795 50 40 DFGB COc1ccc(OC)c(/C=N\NC(=O)Cc2ccc(F)cc2)c1 83315122 GBTIMAVQFRXBGF-ODLFYWEKSA-N 316.332 2.536 50 40 DFGB FC(F)(F)[C@H](Br)CI 1083806413 VWAPPAUIWGOXNY-UWTATZPHSA-N 302.859 2.747 50 40 DFGB C/C(CC(=O)Nc1cc(C)ccn1)=N\NC(=O)c1cccc(C)c1 4697903 ABKVUTDWVSGKNK-KGENOOAVSA-N 324.384 2.833 50 40 DFGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(O)cc2)[C@@H]2CCCC=C12 19287771 ZOCRMFXOQMNDGL-NVXWUHKLSA-N 316.364 2.986 50 40 DFGB Nc1nc(Cl)cc(NNC(=O)Nc2cccc(Cl)c2)n1 97164600 NEGCXIMHPRQULI-UHFFFAOYSA-N 313.148 2.514 50 40 DFGB C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C\c1ccncc1 32561914 VQTDQYGVZQXHLG-TZQXVGBESA-N 303.749 2.653 50 40 DFGB CC(C)[C@@]12N=C(O)[C@@](C#N)(C(C#N)=C(Br)N1)C2(C)C 66088011 VQNYDSNIJBNOKZ-OLZOCXBDSA-N 323.194 2.578 50 40 DFGB Nc1cccc(C(=O)N/N=C/c2ccc(Br)cc2)c1 45772 YQUXIXQTJGYHFB-RQZCQDPDSA-N 318.174 2.795 50 40 DFGB CCOC(=O)[C@H](SC#N)[C@@H](C(=O)OCC)c1ccc(C)cc1 5555610 SSQKXXQWAQPLEH-UONOGXRCSA-N 321.398 2.788 50 40 DFGB C/C(=N\NC(N)=O)c1ccc(Br)c2ccccc12 16951882 ZHEHDNCQUQNUMJ-LZYBPNLTSA-N 306.163 2.995 50 40 DFGB CCCCN1C(=O)/C(=N\NC(=O)c2ccccc2)c2ccccc21 100286969 UWHDLFQSPVEAQV-JZJYNLBNSA-N 321.380 2.967 50 40 DFGB Cc1noc(C)c1C12C[C@H]3C[C@@H](CC(CC(=O)NN)(C3)C1)C2 100772163 KKRYKLXMGPICTO-SCQRFTTHSA-N 303.406 2.509 50 40 DFGB O=C(CN1CCCCC1)N/N=C/c1ccc(Cl)c(Cl)c1 58927963 QTJZUVGQTSSACY-RQZCQDPDSA-N 314.216 2.929 50 40 DFGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OCC)c1O 408770865 BOWRGXUYEJTJKO-DHDCSXOGSA-N 314.385 2.951 50 40 DFGB Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)c1ccccc1 7007742 RVTOXVFITCMMBJ-UHFFFAOYSA-N 321.336 2.725 50 40 DFGB Cc1ccc2nc(O)c(/C=N/NC(=O)c3ccccc3O)cc2c1 9291346 XGIHGLXLWDBNJF-VXLYETTFSA-N 321.336 2.718 50 40 DFGB COC(=O)[C@H]1C(O)=NC(SC)=C(C#N)[C@H]1c1ccccc1C 1295088 MPJDCAKJXNMMEA-CHWSQXEVSA-N 316.382 2.936 50 40 DFGB COc1ccc(/C(C)=N\NC(=O)c2ccccc2O)cc1OC 13842681 HPHVVBXSDSSZPP-WQRHYEAKSA-N 314.341 2.563 50 40 DFGB CCOC(=O)C1=C(C)NC(N)=C(C#N)[C@@H]1c1ccc(C)cc1C 5607479 SRFUHTHDDHWTJR-INIZCTEOSA-N 311.385 2.521 50 40 DFGB NNC(=O)c1cccc(OCc2cccc(Br)c2)c1 226322181 ZLZWRGSVMTXBHX-UHFFFAOYSA-N 321.174 2.632 50 40 DFGB COc1cc(Cl)cc(/C=N/NC(=O)c2ccc(C)nc2)c1O 536316 PSWOUMXHRARYSR-QGMBQPNBSA-N 319.748 2.522 50 40 DFGB O=C(O)C12C[C@H]3CC(C[C@@H](C3)C1)[C@@H]2I 108424434 HZXLRVWAEPTHFW-AYIJYCAOSA-N 306.143 2.701 50 40 DFGB O=C(N/N=C/c1ccc2c(c1)OCCO2)c1c[nH]c2ccccc12 3474176 UAVNXDZOBLUSDM-KEBDBYFISA-N 321.336 2.703 50 40 DFGB O=C(Cl)[C@@H]1CC(=O)N(c2ccc(N3CCCCC3)c(F)c2)C1 45958324 QIWCLXINVNHILC-LLVKDONJSA-N 324.783 2.934 50 40 DFGB CCC/C(=N\NC(=O)CN1CCCCC1)c1ccc(F)cc1 5296913 CCJLFFKGWNUSSI-KNTRCKAVSA-N 305.397 2.932 50 40 DFGB Cc1ccc(C)n1NC(=O)/C(C#N)=C/c1ccc2c(c1)OCO2 409389074 ZDKIGZKKIVSKEW-VGOFMYFVSA-N 309.325 2.511 50 40 DFGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1C 33560925 YDNLMZAUTZSILO-NVNXTCNLSA-N 323.352 2.886 50 40 DFGB Cc1cc(C)cc(O[C@@H](C)C(=O)N/N=C/c2ccccc2O)c1 93913 UFNSUMBZJMFPRG-YRIIZNAFSA-N 312.369 2.927 50 40 DFGB CCCCc1ccc(NC(=O)C(=O)N/N=C/c2ccco2)cc1 3148418 FSXZUNVQRKLWQC-LDADJPATSA-N 313.357 2.711 50 40 DFGB O=C(NCCCl)N1CCn2cccc2[C@@H]1c1ccc(F)cc1 5256047 YKACZAOTVVLYEQ-HNNXBMFYSA-N 321.783 2.981 50 40 DFGB Cc1cc(OCC(=O)N/N=C/c2cccn2C)cc(C)c1Cl 4132168 JBKTYISKMFZVCV-GIJQJNRQSA-N 319.792 2.824 50 40 DFGB C[C@@H](Cl)C(=O)Nc1ccccc1I 20363144 NUXNRMJFVJRIMP-ZCFIWIBFSA-N 309.534 2.857 50 40 DFGB in-vitro COc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1OC 253865 DXLASTUWIPGXCQ-VCHYOVAHSA-N 302.305 2.607 50 40 DFGB CC(C)(C)NC(=S)NNC(=O)c1ccc2ccccc2c1 8301641 SGPZLXBEKHMBCZ-UHFFFAOYSA-N 301.415 2.747 50 40 DFGB CCCC/C(C)=N/NC(=O)C(=O)Nc1ccccc1OCC 58885835 IMNKWMHYJWBKAE-LDADJPATSA-N 305.378 2.706 50 40 DFGB CCOC(=O)/C(C#N)=C\C1=C(N2CCCC2)C[C@](C)(CC)OC1 49565932 NUTVEPLVICAVFD-BLSFAOBESA-N 318.417 2.938 50 40 DFGB Cc1ccccc1OCCOc1ccccc1/C=C(/C#N)C(N)=O 4599719 XPBPUTKANQSZBM-VBKFSLOCSA-N 322.364 2.845 50 40 DFGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])o1 5784584 HRSUSJHRQFSVAN-PFVNGKLPSA-N 303.318 2.790 50 40 DFGB CCc1ccc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1 409130114 KKIZVLFMCYIEHS-KRWDZBQOSA-N 307.397 2.979 50 40 DFGB Cc1ccc(NC(=O)C(=O)N/N=C/c2sccc2C)cc1C 13922540 VOJVAECSWISAJV-RQZCQDPDSA-N 315.398 2.762 50 40 DFGB COc1cc(/C=N\NC(=O)c2ccncc2)ccc1OC(C)C 169899751 CXAIKZZDUWHAAJ-ODLFYWEKSA-N 313.357 2.641 50 40 DFGB CCOC(=O)[C@H]1C(C)=C(c2ccc(Cl)cc2)OC(N)=C1C#N 126039 QALKIADAPCSBIJ-ZDUSSCGKSA-N 318.760 2.974 50 40 DFGB Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(C)c1O 7892324 QIWKMSVUSDSNJY-RQZCQDPDSA-N 313.313 2.681 50 40 DFGB COc1ccc(/C=C(\C#N)C(=O)N2CCCCC2)cc1OC 2744429 PADWEWGBBUXIRV-GXDHUFHOSA-N 300.358 2.623 50 40 DFGB C/C(=N\NC(=O)c1ccccc1F)c1ccc([N+](=O)[O-])cc1 15938389 QJEMNQBUKCTQAZ-LICLKQGHSA-N 301.277 2.888 50 40 DFGB Cn1cc([C@H]2C[C@@H]2C(=O)NNc2ccccc2C(F)(F)F)cn1 68422346 WJDRUQNHCOOCFL-MNOVXSKESA-N 324.306 2.686 50 40 DFGB Cc1ccccc1OCCOc1ccc(/C=C(\C#N)C(N)=O)cc1 4600493 OEXWXOGXGDEPTB-FOWTUZBSSA-N 322.364 2.845 50 40 DFGB O=C1OC(=O)c2ccc(SC[C@@H](O)CCl)c3cccc1c23 104160439 FUDHAJLYGCYFAU-QMMMGPOBSA-N 322.769 2.842 50 40 DFGB COc1ccc(/C=N/NC(=O)c2cc3cc(OC)ccc3[nH]2)cc1 2363408 MISOUAPRCWXHTG-YBFXNURJSA-N 323.352 2.949 50 40 DFGB C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 6278717 UMASQZBHBYJNLL-LFIBNONCSA-N 301.302 2.579 50 40 DFGB COc1ccc(/C(C)=N/NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] 4860112 DRNIUPCYNUBEQX-OQLLNIDSSA-N 309.322 2.852 50 40 DFGB Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc1C 20086826 DJPXXPFBYHWCAC-INIZCTEOSA-N 321.380 2.529 50 40 DFGB C/C(=N\NC(=O)Cc1ccc2c(c1)OCCO2)c1cccs1 409366501 VIUVFQBKFVUXJV-GZTJUZNOSA-N 316.382 2.602 50 40 DFGB O=C(N/N=C/c1cccs1)c1cccc(Cn2cccn2)c1 131675 OBPRNVFTNJBBPY-GZTJUZNOSA-N 310.382 2.757 50 40 DFGB CNC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(C)cc2)cc1 136253 GWYWRWOGUHFTEU-YBFXNURJSA-N 310.357 2.510 50 40 DFGB N#C/C(=C\c1cccn1-c1ccccc1)C(=O)NC[C@H]1CCCO1 520962 MHUYQTVJOWZLFO-NKAIQICCSA-N 321.380 2.679 50 40 DFGB O=C(NNC(=O)c1ccccc1F)c1cc2ccccc2cc1O 26971242 NLRVAXUIPHXZPK-UHFFFAOYSA-N 324.311 2.759 50 40 DFGB CCc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 108924298 DZCSFXLLCDFMCG-PDGQHHTCSA-N 311.341 2.850 50 40 DFGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NNC(=O)c1ccco1 6509726 DEQGKFNGGHBGLO-SECBINFHSA-N 324.789 2.875 50 40 DFGB COc1ccc(OC)c([C@H]2NC(=O)NC(C(C)(C)C)=C2C#N)c1 409367680 DHRPYRRXCLJKER-CQSZACIVSA-N 315.373 2.881 50 40 DFGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccco2)c(OC)c1 45363315 ZWYYCLHIHKYGAT-MDWZMJQESA-N 312.325 2.520 50 40 DFGB C[C@H](Oc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(O)cc1 245204304 QRERZNXMAUVQGT-NSHDSACASA-N 318.760 2.963 50 40 DFGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2F)c(C)c1 3148426 VBTPTEAMGLUSII-VXLYETTFSA-N 313.332 2.531 50 40 DFGB CCN(Cc1ccccc1)C(=O)NNC(=O)c1cccs1 32794928 MZNFELCVHJFGSD-UHFFFAOYSA-N 303.387 2.625 50 40 DFGB COc1cc(C(=O)N/N=C/[C@H]2CC=CCC2)cc(OC)c1OC 4647007 YKDNXGXKUQJLBT-HWQJWEFDSA-N 318.373 2.784 50 40 DFGB CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c1 8845699 IZWHONWNXOYIAV-OAHLLOKOSA-N 310.357 2.725 50 40 DFGB CN(C)c1nc(N)nc(/C(C#N)=C/c2cccc3ccccc23)n1 11297757 GGOQNFWNBZIIFO-GXDHUFHOSA-N 316.368 2.737 50 40 DFGB COc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1OC 505868 RCPHNNHFIVUTBV-CPNJWEJPSA-N 312.369 2.787 50 40 DFGB COc1ccccc1/C=N/NC(=O)COc1c(C)cccc1C 516782 ZLQLWNHQIXNFND-YBFXNURJSA-N 312.369 2.841 50 40 DFGB CCC1=C(C(=O)OC)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O1 4652848 AEVWRXJYPCDMFG-ZDUSSCGKSA-N 318.760 2.985 50 40 DFGB CC[C@H](C)/C(C)=N\NC(=O)CNC(=O)c1ccc(Cl)cc1 15133543 DCRQWAFYCRQMJF-NRKMXEHJSA-N 309.797 2.608 50 40 DFGB COc1cccc(/C=N/NC(=O)c2c(C)nc3ccc(C)cn23)c1 408980308 QKSPDCNEKQFVJM-VXLYETTFSA-N 322.368 2.724 50 40 DFGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)Cc2ccccc2)c1 408858163 NCZPNBRHTJVPAQ-DEDYPNTBSA-N 309.369 2.728 50 40 DFGB O=C(CCl)NC1CCC(NC(=O)OCc2ccccc2)CC1 83318431 BJGRYQQRNFKART-UHFFFAOYSA-N 324.808 2.579 50 40 DFGB Cc1n[nH]c(C)c1NC(=O)c1cccc(NC(=O)CCCl)c1 14404647 GIFRDZDMJTZSJT-UHFFFAOYSA-N 320.780 2.846 50 40 DFGB O=C1c2cc(F)c(Br)cc2O[C@H]1Br 258839869 XOEOIXKWUHXCNQ-MRVPVSSYSA-N 309.916 2.884 50 40 DFGB Cc1ccc2c(CC(=O)NNC(=O)Cc3ccccc3)coc2c1 25262807 FFCIUHMVVGTKTP-UHFFFAOYSA-N 322.364 2.674 50 40 DFGB O=C(NCCCl)N1CCn2cccc2[C@H]1c1ccc(F)cc1 5256046 YKACZAOTVVLYEQ-OAHLLOKOSA-N 321.783 2.981 50 40 DFGB CC(C)Oc1ccc(CCC(=O)N/N=C/c2ccncc2)cc1 501859 OCXWXUMTNZPQIX-DEDYPNTBSA-N 311.385 2.952 50 40 DFGB CNc1ccc(/C=N/NC(=O)c2cc(C)oc2C)cc1[N+](=O)[O-] 44394521 FCOFKEFEBCTGLX-CAOOACKPSA-N 316.317 2.610 50 40 DFGB CCCCC[C@@H]1[C@@H](O)CC[C@@H]1CC(=O)N/N=C/c1cccnc1 4713519 DHFFALMXWOZKCL-ZHJRKJLJSA-N 317.433 2.889 50 40 DFGB N#C/C(=C\c1cc2cc(F)ccc2o1)C(=O)NC[C@H]1CCCO1 98013307 MYSOEFJFGOJBNS-CEFACKQISA-N 314.316 2.774 50 40 DFGB C=CCOc1ccc([C@H]2C(C#N)=C(N)OC(C)=C2C(C)=O)cc1 2258907 KHHVMMHNKAJPSV-KRWDZBQOSA-N 310.353 2.922 50 40 DFGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1c(C)cc(C)cc1C 43621 FRDLFLWTZXSXMV-INIZCTEOSA-N 312.369 2.867 50 40 DFGB CCOc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1OC 3506116 ZVXLDUMEFSUQNF-CPNJWEJPSA-N 312.369 2.787 50 40 DFGB C=CCOc1cccc(/C=N\NC(=O)COc2ccccc2)c1 408760717 IWVZYEPSWJHBSY-UYRXBGFRSA-N 310.353 2.781 50 40 DFGB CC(C)c1ccc2c(c1)/C(=N/NC(=O)c1ccncc1)C(O)=N2 7892801 CNTPQWLMAAPOPX-UHFFFAOYSA-N 308.341 2.941 50 40 DFGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cnn(C2CCCC2)c1 253400192 KWOIUSZMRNNGPW-MRXNPFEDSA-N 324.384 2.813 50 40 DFGB CCC[C@H](C(=O)NN)N1c2c(OC)cccc2[C@H](C)CC1(C)C 260616247 HKFJXDWAOZRWBR-TZMCWYRMSA-N 319.449 2.946 50 40 DFGB O=C(COc1cccc(Cl)c1)N/N=C/c1cccc(O)c1 225131 OXAJTTFXQLOFNS-RQZCQDPDSA-N 304.733 2.575 50 40 DFGB CCN(CC)c1ccc(N2C[C@H](C(=O)Cl)CC2=O)c(C)c1 57367111 FDECDCAREWPSSG-GFCCVEGCSA-N 308.809 2.960 50 40 DFGB O=C(N/N=C/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1O 3044711 ZECKFNNLHVPNIX-ZUCBPKHASA-N 311.297 2.729 50 40 DFGB O=C(CCl)NC(=O)N(/N=C\c1ccco1)c1ccccc1 8618846 WKLRQYPVRNCELI-YBEGLDIGSA-N 305.721 2.595 50 40 DFGB Cc1occc1C(=O)NNC(=O)N[C@@H](c1ccccc1)C(C)C 32795473 VBSFUXLOWPVHGG-OAHLLOKOSA-N 315.373 2.929 50 40 DFGB O=Cc1cccc(P(c2ccccc2)c2ccccc2)c1O 68569331 TXMSHVWJXRGNDB-UHFFFAOYSA-N 306.301 2.963 50 40 DFGB N#CCCn1cc(/C=C(/C#N)C(=O)O)c(-c2ccc(F)cc2)n1 3887877 UGQLJDVPIJONSQ-WQLSENKSSA-N 310.288 2.594 50 40 DFGB O=C(NNC(=O)c1ccccn1)c1ccc(-c2ccccc2)cc1 8197771 BJYBZADPPGFSDC-UHFFFAOYSA-N 317.348 2.823 50 40 DFGB CC(C)C(=O)NNC(=O)Cc1coc2ccc3ccccc3c12 9722422 IGPZQCJVNHNSIP-UHFFFAOYSA-N 310.353 2.932 50 40 DFGB CN(C)c1ccc(/C=N/NC(=O)CC2(C)SCCS2)cc1 9489282 GQSMLJBDLCWDPY-LFIBNONCSA-N 323.487 2.789 50 40 DFGB Cc1cc([N+](=O)[O-])c(-c2ccc(/C=C/C(=O)NN)o2)cc1Cl 216863200 NNLOILDODJUXKY-HWKANZROSA-N 321.720 2.820 50 40 DFGB O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1ccco1 585073 ADPYGPXBAUNFCT-UHFFFAOYSA-N 320.348 2.873 50 40 DFGB O=C(CCl)NCC(F)(F)C(F)(F)C(F)(F)C(F)F 103711430 GLOUPVXOGCTUSB-UHFFFAOYSA-N 307.568 2.512 50 40 DFGB O=C(CCCCl)Nc1ncnc2c1cnn2-c1ccccc1 1811309 MPVMGKYRFNGQQS-UHFFFAOYSA-N 315.764 2.773 50 40 DFGB Cc1cc(/C=N/NC(=O)CN2CCCC2)c(C)n1-c1ccccc1 4091491 FMOBZCZZGMDJTE-DEDYPNTBSA-N 324.428 2.640 50 40 DFGB CCOc1ccc(C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1 6683833 IBEXVRKGJZLYPW-WOJGMQOQSA-N 312.325 2.547 50 40 DFGB C/C(I)=C/CI 66055360 MTIFMNTZMLZREE-RQOWECAXSA-N 307.900 2.760 50 40 DFGB CCOC(=O)C/C(C)=N/NC(=O)[C@@H](C)SCc1ccccc1 408719131 HFKNGPJLVKLBFD-LVLBFHFTSA-N 322.430 2.754 50 40 DFGB Cc1occc1C(=O)NNC(=O)N[C@@H](C)CCc1ccccc1 32795458 MEIRGWNHMXRTMF-LBPRGKRZSA-N 315.373 2.553 50 40 DFGB O=C(CSc1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1 225682 XWBMFPVLJTXKOB-MHWRWJLKSA-N 315.354 2.837 50 40 DFGB O=C(N/N=C/c1ccc(OC(F)F)cc1)c1ccc(O)cc1 3345021 YFVRLNJIQOEWGM-GIJQJNRQSA-N 306.268 2.758 50 40 DFGB COc1ccc(C(=O)N/N=C/[C@H]2C[C@H]3CC[C@@H]2C3)cc1OC 4997292 VBNDVYMLZVJADP-LHHCMAOCSA-N 302.374 2.856 50 40 DFGB O=C1OC(=O)c2ccccc2/C1=C\Nc1cccc([N+](=O)[O-])c1 101533615 QAAWYTNZJQUZTG-NTEUORMPSA-N 310.265 2.745 50 40 DFGB Cc1ccc(C)c(SCC(=O)NNC(=O)c2ccccc2)c1 3499195 UXZWZBMGZMWDOG-UHFFFAOYSA-N 314.410 2.857 50 40 DFGB C/C(=C\C(=O)c1ccc(Br)cc1)NNC(=O)C1CC1 4548328 XPQSEEUWJBLIDR-CMDGGOBGSA-N 323.190 2.566 50 40 DFGB O=C(N/N=C1\CCCc2[nH]c3ccc(F)cc3c21)[C@@H]1CCCO1 43974676 WJTLPIBTSJLPSB-AUQXIXNCSA-N 315.348 2.643 50 40 DFGB O=C(CSc1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-] 3083779 AHVWYDYMXCBOOA-MHWRWJLKSA-N 315.354 2.837 50 40 DFGB CC(C)OC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(N)=O)o2)cc1 5384482 AVPKXGSZZGHISB-NTEUORMPSA-N 324.336 2.904 50 40 DFGB O=C(N/N=C/c1ccc2cccnc2c1)c1ccc([N+](=O)[O-])cc1 62759 OHWPDUXUVWLBBY-YBFXNURJSA-N 320.308 2.907 50 40 DFGB COc1ccc(C(=O)N/N=C/[C@@H]2C[C@H]3CC[C@@H]2C3)cc1OC 4997291 VBNDVYMLZVJADP-VYOHEHEJSA-N 302.374 2.856 50 40 DFGB Cc1ccc(C(=O)N/N=C/c2ccc(N3CCCCC3)o2)o1 408728661 QWUHRXHFHMMPQR-GZTJUZNOSA-N 301.346 2.935 50 40 DFGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(F)cc2)cc1 59355 PDGLBKDMFPNIAR-YBFXNURJSA-N 313.332 2.938 50 40 DFGB Oc1ccc(P(c2ccc(O)cc2)c2ccc(O)cc2)cc1 59159868 IOHRTWBJHOLWRQ-UHFFFAOYSA-N 310.289 2.562 50 40 DFGB COc1ccc(/C(C)=N\NC(=O)Cc2ccccc2)cc1OC 108776061 REYKBPGZIDCXAZ-UYRXBGFRSA-N 312.369 2.787 50 40 DFGB O=C(NN=C(c1ccccc1)c1ccccc1)c1ccc[n+]([O-])c1 10129986 FUDOOKNLYLPHOT-UHFFFAOYSA-N 317.348 2.502 50 40 DFGB Cc1ccc2cc(/C=N/NC(=O)[C@H](N)C(C)C)c(Cl)nc2c1 5091571 RAKVSTNBOKWTIT-VLUPQXHSSA-N 318.808 2.630 50 40 DFGB O=C(NC[C@H]1CCCO1)NN=C1c2ccccc2-c2ccccc21 84576871 VJOMECXOQAYTMO-CYBMUJFWSA-N 321.380 2.898 50 40 DFGB CCOc1ccccc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 482677 JMZZOLBMQHNIPN-GZTJUZNOSA-N 313.313 2.757 50 40 DFGB Cc1ccc(C)c(C(=O)C[C@H]2O[C@@H](O)[C@@H](Cl)[C@H]2Cl)c1 5722602 KVGRFPSXOUEZGT-ZOBORPQBSA-N 303.185 2.808 50 40 DFGB CCc1ccc(/C(C)=N/NC(=O)[C@@H](O)c2ccccc2)s1 369474 XDONWNKPDSNBSD-VUVCFOEZSA-N 302.399 2.884 50 40 DFGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OCC)c1O 59334879 RGMFRSHIIAACJI-ZROIWOOFSA-N 300.358 2.515 50 40 DFGB Cc1ccccc1SCC(=O)NNC(=O)C1CCCCC1 5066283 JNOWJGJVDXNNSI-UHFFFAOYSA-N 306.431 2.815 50 40 DFGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 408749431 OMXADOSCOJOELZ-LICLKQGHSA-N 313.313 2.676 50 40 DFGB O=C(N/N=C/c1ccc(O)cc1)c1ccc(N2CCCC2)cc1 408676633 LPJZPXWQUCSKIY-CPNJWEJPSA-N 309.369 2.756 50 40 DFGB O=C(N/N=C\c1cccn1-c1ccccc1)c1cccc(O)c1 408811481 LNKGFDBQBYHDJP-UYRXBGFRSA-N 305.337 2.947 50 40 DFGB CCOc1ccc(NC(=O)NNC(=O)c2cccs2)cc1 120978 JIHQPXSBLUOUSF-UHFFFAOYSA-N 305.359 2.613 50 40 DFGB CC(=O)c1ccc2[nH]cc(/C=N/NC(=O)c3ccncc3)c2c1 712128 BBHZJUZFJMGLPP-KEBDBYFISA-N 306.325 2.529 50 40 DFGB N#C/C(=C\C=C\c1ccccc1)C(=O)NCCCn1ccnc1 6309631 AHAUGBAGBZNWNT-JWTPKGPHSA-N 306.369 2.553 50 40 DFGB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NNC(=O)Cc2ccccc2)o1 16229344 XQZRPEIXIZPHTH-GPJUQDOMSA-N 324.380 2.806 50 40 DFGB CC(C)(C)c1n[nH]c2c1[C@@H](c1cccc(O)c1)C(C#N)=C(N)O2 5052086 VCHWAFBSBSAOHE-LBPRGKRZSA-N 310.357 2.631 50 40 DFGB O=C(Cl)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 5569790 XLWFZDKZKDFSGW-ZETCQYMHSA-N 302.555 2.567 50 40 DFGB COc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1OC 5720708 NDLRNGGDVAUDEG-YBEGLDIGSA-N 322.364 2.927 50 40 DFGB COc1ccc(/C=N/NC(=O)c2ccccc2C)cc1[N+](=O)[O-] 6217944 RKVXWDKRGZGBOJ-LICLKQGHSA-N 313.313 2.676 50 40 DFGB O=C(N/N=C/c1ccc2c(c1)CCC2)c1ccc([N+](=O)[O-])cc1 1596998 LNVFRRHZLXXOCI-WOJGMQOQSA-N 309.325 2.847 50 40 DFGB Cc1ccc(/C=N/NC(=O)N(C)C(=O)OCc2ccccc2)o1 9324497 KYPATPBPUVYPSE-LICLKQGHSA-N 315.329 2.900 50 40 DFGB CCOC(=O)C1=C(C)C/C(=N/NC(=O)c2ccccc2O)CC1 5457570 MTJYKJBXBNDMKU-LDADJPATSA-N 316.357 2.542 50 40 DFGB O=NN(CCCl)C(=O)Nc1ccc(SCC(=O)O)cc1 4919256 HDWAURNNJRJXQP-UHFFFAOYSA-N 317.754 2.617 50 40 DFGB O=C(/C=C\c1ccc2c(c1)OCO2)N(CCCl)CCCl 104394259 IATGLZQZOITXFV-RQOWECAXSA-N 316.184 2.735 50 40 DFGB N#C/C(=C/c1ccc(O)c(O)c1)C(=O)NCCCc1ccccc1 12352684 GSQOBTOAOGXIFL-WJDWOHSUSA-N 322.364 2.754 50 40 DFGB Cc1cc(C)n(CC(=O)N/N=C/C2=CC[C@@H]3C[C@@H]2C3(C)C)n1 102950805 OSKZAFLEYURSLU-LLWNARSTSA-N 300.406 2.594 50 40 DFGB N#C/C(=C\c1ccc(Br)cc1)C(=O)N1CCCC1 3328528 JFXYNTNWTGXTMJ-FMIVXFBMSA-N 305.175 2.978 50 40 DFGB COC(=O)N/N=C(\C)c1ccc(OC(F)F)cc1OC(F)F 5444722 UISRIIRFFBGTQB-UBKPWBPPSA-N 324.230 2.969 50 40 DFGB CC(C)(C)OC(=O)N[C@@H]1CNC[C@@H]1O[Si](C)(C)C(C)(C)C 195924766 MWUDIPUCAFJKAU-NEPJUHHUSA-N 316.518 2.873 50 40 DFGB COc1ccc(OCC(=O)N/N=C/c2ccc(C)cc2C)cc1 587138 BIFJNVYJHZPOBQ-YBFXNURJSA-N 312.369 2.841 50 40 DFGB C[C@H](Cn1cnc2ccccc21)C(=O)N/N=C/c1ccccc1O 552592 SHWIBPADXSYRFM-RNDVCUHJSA-N 322.368 2.528 50 40 DFGB Cc1cc(N2C[C@@H](C(=O)Cl)CC2=O)ccc1Br 45952740 VNTJZPVEYBXBCB-QMMMGPOBSA-N 316.582 2.876 50 40 DFGB CCCCn1cc(/C=N/NC(=O)C(C)(C)O)c2ccccc21 32578405 FXFRXKCBAQUIBS-WOJGMQOQSA-N 301.390 2.662 50 40 DFGB Cc1nccc(C(=O)NN=C(c2ccccc2)c2ccccc2)n1 58356202 VXESGCXMQAGRTR-UHFFFAOYSA-N 316.364 2.967 50 40 DFGB CC1=C(C#N)[C@H](/C=N/OCc2ccc(F)cc2Cl)CC(=O)N1 4084750 LWKMXUGZGKPHSI-MDIIPYEWSA-N 321.739 2.915 50 40 DFGB CC(=O)c1c(NNC(=O)c2ccc(Cl)cc2)oc(C)cc1=O 4614587 ROTILFABGOLRPF-UHFFFAOYSA-N 320.732 2.561 50 40 DFGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccco1 4735267 KXFGZULVGWTFSB-OQLLNIDSSA-N 307.147 2.735 50 40 DFGB CN(CCOc1ccc(Br)cc1)C(=O)CCl 12504838 JGPHBCJWWFOBPR-UHFFFAOYSA-N 306.587 2.525 50 40 DFGB O=C(CCc1ccsc1)NNC(=O)CCc1ccsc1 44980656 OUAKZFXHDUEZTB-UHFFFAOYSA-N 308.428 2.522 50 40 DFGB O=C(CN1CCCc2ccccc21)N/N=C/C=C/c1ccco1 63361407 JFEYWVRPRZWUAF-FLFYSUBZSA-N 309.369 2.848 50 40 DFGB Cc1cccc(NC(=O)N/N=C\c2ccc(O)c([N+](=O)[O-])c2)c1 408904030 CPSRHWYINMHTFD-SXGWCWSVSA-N 314.301 2.764 50 40 DFGB O=C(Cl)[C@H]1CC(=O)N(c2ccc(Br)cc2F)C1 45952669 BKBSITNUZZAQEQ-LURJTMIESA-N 320.545 2.707 50 40 DFGB CCOC(=O)/C(C#N)=C/C1=C(N2CCCC2)CC(C)(C)OC1 49565937 GQRDSCLQQVQUKA-UKTHLTGXSA-N 304.390 2.548 50 40 DFGB CC[C@H](C(=O)NN)N1c2cc(OC)ccc2[C@@H](C)CC1(C)C 223203325 HACBCOPRWPMZBL-SMDDNHRTSA-N 305.422 2.556 50 40 DFGB O=C1C(CCl)(CCl)CC[C@@]12CNC(Cl)(Cl)C2 1584473 YYISALIYDCSBFP-MRVPVSSYSA-N 305.032 2.924 50 40 DFGB O=C(Cc1cccc2ccccc12)NNC(=O)C[C@H]1C=CCC1 8734040 ZQLLZQWHMJPJBL-AWEZNQCLSA-N 308.381 2.886 50 40 DFGB O=C(Cl)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 96345841 XDRZZEFYRSVLTQ-UHFFFAOYSA-N 308.186 2.649 50 40 DFGB C/C(=N\NC(=O)COc1ccccc1)c1ccc([N+](=O)[O-])cc1 5257219 JJPMKRWPOLQBJG-SFQUDFHCSA-N 313.313 2.514 50 40 DFGB COc1cc(OC)nc([C@H](Br)c2ccccc2)n1 2525571 KHWJOMJFFYWQOV-GFCCVEGCSA-N 309.163 2.978 50 40 DFGB O=C(CNc1cccc(Br)c1)N/N=C\c1ccco1 5335314 HWVIRJFTDWBPMC-PXNMLYILSA-N 322.162 2.604 50 40 DFGB C=CCOc1ccccc1C(=O)NNC1=CC(=O)CC(C)(C)C1 12137472 JHUBXEPSKMDJES-UHFFFAOYSA-N 314.385 2.759 50 40 DFGB C=CCNC(=O)C/C(C)=N\NC(=O)c1ccc(C(C)(C)C)cc1 7036538 PSENATMTEUYRLY-MOSHPQCFSA-N 315.417 2.782 50 40 DFGB O=C(COc1cccc2cccnc12)N/N=C\c1cccc(F)c1 409023560 YVRKRMMFAUYVJI-NHDPSOOVSA-N 323.327 2.903 50 40 DFGB COc1ccc(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc1OC 408718890 SJSMAYIKPRLJRB-QQKHEBFDSA-N 316.401 2.980 50 40 DFGB CC(=O)N/N=C/c1cc(C)n(-c2cc(C(=O)O)ccc2C)c1C 409015672 RTRYIIUVCDWEMD-GIJQJNRQSA-N 313.357 2.571 50 40 DFGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C\c1cccc([N+](=O)[O-])c1 103385328 VWLWWWJEAAZRFM-LKMYFCJFSA-N 301.346 2.871 50 40 DFGB CN(C)C(=O)/C(C#N)=C\c1ccc(-c2ccccc2C(=O)O)o1 59333655 MUGWRWAJODERFO-LUAWRHEFSA-N 310.309 2.640 50 40 DFGB COc1cccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)c1OC 408873760 VMDGZDUNEVPYPF-GNYUHWMSSA-N 316.401 2.980 50 40 DFGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccnn1C1CCCC1 253400991 MGEYIAWUSUVTHQ-MRXNPFEDSA-N 324.384 2.813 50 40 DFGB C=CCn1cc(/C=N/NC(=O)c2ccncc2)c2ccccc21 573298 WPIBFQKLDFYPNE-UDWIEESQSA-N 304.353 2.986 50 40 DFGB C/C(=N\NC(=O)[C@@H](C)Sc1ccccn1)c1ccccc1O 6625766 QXROFMJYNNSAED-MBNTZHJCSA-N 315.398 2.808 50 40 DFGB COc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OC 111669148 LZEPBVDPZHCFMG-ODLFYWEKSA-N 316.332 2.536 50 40 DFGB Cc1ccc2occ(/C=N/NC(=O)c3ccc(O)cc3)c(=O)c2c1 15934448 IGAVPNHYFNGGMG-DJKKODMXSA-N 322.320 2.571 50 40 DFGB CC(C)N(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)CCl)C1 79391003 CXKNYPOXEPCUJP-GFCCVEGCSA-N 318.845 2.862 50 40 DFGB CCOc1ccc(/C=N\NC(=O)c2ccc(F)cc2)cc1OC 30822032 KSCNTJVNVNYPIH-ODLFYWEKSA-N 316.332 2.997 50 40 DFGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)O)C/C2=N/NC(=O)c1ccco1 106964123 CVIUSHARRRYTTR-QIESAVBPSA-N 304.346 2.666 50 40 DFGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccncc1 550794 TXHHSQBIZMXBAW-QGMBQPNBSA-N 324.167 2.918 50 40 DFGB CC(C)c1ccc(/C=N/NC(=O)c2cc(O)c(O)c(O)c2)cc1 5384681 WSJPQOZRXXZSMG-GIJQJNRQSA-N 314.341 2.691 50 40 DFGB COc1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc1OC 5559919 SJSMAYIKPRLJRB-DSCXRQQCSA-N 316.401 2.980 50 40 DFGB Cc1cccc(NC(=O)CCC(=O)N/N=C/c2ccco2)c1C 3148449 LYBVTAQFLVUWPQ-WOJGMQOQSA-N 313.357 2.765 50 40 DFGB O=C(N/N=C/c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 3151517 FZNSKGCQSHHSKV-VCHYOVAHSA-N 316.744 2.875 50 40 DFGB N#C/C(=C\c1c[nH]c2ncccc12)C(=O)Nc1cccc(O)c1 61717533 CQAWDQTXGONUGU-YRNVUSSQSA-N 304.309 2.814 50 40 DFGB C=CCOc1ccc(/C=C(\C#N)C(=O)NCc2cccnc2)cc1 27018410 QVLINUHRLCSMFL-GZTJUZNOSA-N 319.364 2.870 50 40 DFGB CO[C@@](F)(Br)[C@H](Br)C(F)(F)F 16082632 PUPKPTWIRXQRGR-STHAYSLISA-N 303.875 2.977 50 40 DFGB N#C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1O 5214137 LDVJZYDVIZUKQO-XFXZXTDPSA-N 309.281 2.846 50 40 DFGB Cn1cccc1/C=C(\C#N)c1nc(N)nc(Nc2ccccc2)n1 45667841 JJUWHYAJEJRIPR-ZRDIBKRKSA-N 317.356 2.600 50 40 DFGB Cc1c(/C=N/NC(=O)[C@H](O)c2ccccc2)c2ccccc2n1C 265172 VYRZASCAOQQKCR-BAOGCXAUSA-N 321.380 2.670 50 40 DFGB Cc1ccc(O)c(/C=N/NC(=O)COc2c(C)cccc2C)c1 3023206 QLNHIBKLHICQDA-VXLYETTFSA-N 312.369 2.847 50 40 DFGB CCn1c(C)cc(/C=N\NC(=O)c2ccc(C#N)cc2F)c1C 12364031 LHRWOUWUGGRAPC-JMIUGGIZSA-N 312.348 2.900 50 40 DFGB CCc1ccc(-c2cc(C(=O)NN)nn2-c2ccccc2)cc1 59472495 BQADPPDZDDBPPV-UHFFFAOYSA-N 306.369 2.705 50 40 DFGB C/C(=N\NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(N)c1 5394437 PKQATGAJALAIQW-WOJGMQOQSA-N 312.329 2.639 50 40 DFGB O=C1c2ccccc2C(=O)N1c1cccnc1CBr 95635325 QWNWZEBZKQKQSP-UHFFFAOYSA-N 317.142 2.777 50 40 DFGB CS(=O)(=O)[C@@H](Cl)[C@H](O)c1ccc(-c2ccccc2)cc1 96518841 IDYOGPIUQRCDTA-HUUCEWRRSA-N 310.802 2.997 50 40 DFGB Cc1cc(C(=O)NN)cc(C)c1OC(=O)c1ccc(Cl)cc1 256055244 ZWEDHALVKVGJDC-UHFFFAOYSA-N 318.760 2.780 50 40 DFGB O=S1[C@@H]2CC[C@@H](Br)[C@H]1CC[C@@H]2Br 5600427 UUKHAQKRGSLCTN-LKOYMUOLSA-N 316.058 2.587 50 40 DFGB C=CCc1cccc(/C=N/NC(=O)Cc2cccs2)c1O 73174 LEJKBMZFOUZLQF-GZTJUZNOSA-N 300.383 2.875 50 40 DFGB C/C(=N\NC(=O)c1cc(C)oc1C)c1ccc2c(c1)OCO2 5119620 RZCYQYJHKSRLTM-LICLKQGHSA-N 300.314 2.779 50 40 DFGB C=CCc1cc(/C=C(\C#N)C(=O)NCCC)cc(OC)c1O 4602406 IWAPOIJLKBNPJE-NTEUORMPSA-N 300.358 2.562 50 40 DFGB COc1ccccc1/C=N/NC(=O)c1c(C)nc2ccc(C)cn12 113096 LCZUIUVEOIDQAO-VXLYETTFSA-N 322.368 2.724 50 40 DFGB CCN(C[C@H]1CCCN(Cc2ccccc2)C1)C(=O)CCl 79393721 SLFIRRDFCVWVNB-INIZCTEOSA-N 308.853 2.986 50 40 DFGB CCOc1ccc(/C=C(\C#N)C(=O)NC(C)C)c(OCC)c1 4506816 HUIYMADSEYHLKS-NTEUORMPSA-N 302.374 2.916 50 40 DFGB CCOc1cc(/C=N\NC(=O)c2ccc(F)cc2)ccc1O 13838044 ZIDJBPLTSPMEIE-ZDLGFXPLSA-N 302.305 2.694 50 40 DFGB CC(=O)N/N=C/c1cc(C)n(-c2ccc([N+](=O)[O-])cc2C)c1C 558936 NRRLBEBYXWFQPX-RQZCQDPDSA-N 314.345 2.781 50 40 DFGB N#CC1=C(N)OC2=C(C(=O)OC2)[C@@H]1c1ccc(Cl)c(Cl)c1 5943978 BSWWEXSKXCBQKO-LLVKDONJSA-N 323.135 2.612 50 40 DFGB O=C(CC[C@H](O)c1ccccc1)N/N=C/c1ccccc1F 83325005 QFSXOBQIMNPSNT-QUYZQLMHSA-N 300.333 2.790 50 40 DFGB C/C(CCc1ccccc1)=N\NC(=O)[C@@H]1COc2ccccc2O1 8107965 WHBUZJHNTZXPBK-OFBHVFLISA-N 324.380 2.951 50 40 DFGB Cc1cc2c(c(=O)o1)[C@@H](CCc1ccccc1)C(C#N)=C(N)O2 279084 JORATJPRFCMFNZ-ZDUSSCGKSA-N 308.337 2.751 50 40 DFGB N#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1 408799367 YVKJGBBDVYREAI-SDNWHVSQSA-N 319.320 2.840 50 40 DFGB CC(=O)[C@@H]1CC(=NNC(N)=O)[C@@H](C)[C@H](Cc2ccccc2)C1 4266543 BHPBRBNOQRVGTP-GLQYFDAESA-N 301.390 2.505 50 40 DFGB biogenic COc1ccccc1/C=C(/C#N)C(=O)NCCc1ccccc1 33417375 HEZYXUXOJBGYLJ-LGMDPLHJSA-N 306.365 2.961 50 40 DFGB Cc1c(C(=O)NN)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 216947835 PYOHJDWBOZJWSK-UHFFFAOYSA-N 324.340 2.510 50 40 DFGB CC(=O)Oc1cc(OC(C)=O)cc([C@@H](C)Br)c1 35643886 ZYSHBERCPPDDCB-SSDOTTSWSA-N 301.136 2.993 50 40 DFGB in-vitro O=C(N/N=C/C1=Cc2ccccc2OC1)c1cccc([N+](=O)[O-])c1 54278305 NCTHHHLBKURCJN-VCHYOVAHSA-N 323.308 2.786 50 40 DFGB C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1ccccc1O 5370039 YXWHRVVZHVXTFM-WOJGMQOQSA-N 318.760 2.965 50 40 DFGB CCCSC1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)CC(=O)N1 8972936 YELITOHGUUAQDI-LLVKDONJSA-N 316.382 2.897 50 40 DFGB C#CCOc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1 409229099 JTIDXBALEOEIPI-MOSHPQCFSA-N 310.328 2.531 50 40 DFGB O=C(Cc1ccccc1)N/N=C/c1ccc(O)c2ncccc12 33421 JCSQDVFNKQXSSF-UDWIEESQSA-N 305.337 2.633 50 40 DFGB biogenic COc1cc(C)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1C 5818168 MVPUCWPEYPYCSY-HNNXBMFYSA-N 310.357 2.562 50 40 DFGB CCN1C(=O)C(C#N)=C(C)/C(=C\C2=Cc3ccccc3OC2)C1=O 32654871 BRZLFVDGUXDYQE-OQLLNIDSSA-N 320.348 2.618 50 40 DFGB COC(=O)[C@@]1(CCCCl)CCCN1C(=O)OC(C)(C)C 1859818 JXSBVGITDYKWEC-CQSZACIVSA-N 305.802 2.948 50 40 DFGB COc1ccccc1/C=N/NC(=O)CNc1ccc(Cl)cc1 5514966 MJENMNANKBZZEG-VXLYETTFSA-N 317.776 2.911 50 40 DFGB CC(C)c1ccc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)cc1 4491554 ZGSLVHRSVIEGHT-OQLLNIDSSA-N 321.384 2.517 50 40 DFGB CCOc1ccccc1OCC(=O)N/N=C/c1ccc(F)cc1 5467329 NUSMBUPYYFWUEL-YBFXNURJSA-N 316.332 2.754 50 40 DFGB CCCOC(=O)c1ccc(NC(=O)CBr)cc1 5708101 MXGBMQGAFWKRES-UHFFFAOYSA-N 300.152 2.587 50 40 DFGB O=C(Cl)[C@@H]1CC(=O)N(c2ccc(Cc3ccncc3)cc2)C1 45958395 KBQQEKGIJNQREH-CQSZACIVSA-N 314.772 2.791 50 40 DFGB CC(C)c1[nH]nc2c1[C@@H](c1ccc(N(C)C)cc1)C(C#N)=C(N)O2 5633490 MSXOOGATDJYDMX-AWEZNQCLSA-N 323.400 2.817 50 40 DFGB N#CC(C#N)=C1Sc2nc3ccc([N+](=O)[O-])cc3nc2S1 1560502 KCUQNXLQUHZXPH-UHFFFAOYSA-N 313.323 2.995 50 40 DFGB CCCCC[C@@H](O)CCC(=O)NNC(=S)Nc1ccccc1 6077896 HYVJZUQGZPECNY-CQSZACIVSA-N 323.462 2.726 50 40 DFGB CCn1ccnc1[P@](=O)(c1ccccc1)N1CCCCC1 101914518 RXWKCLXQCCVYQL-OAQYLSRUSA-N 303.346 2.618 50 40 DFGB O=C(O)c1ccc2c3c(ccc(Br)c13)C(=O)OC2=O 103666608 NERSASVOCCNZNQ-UHFFFAOYSA-N 321.082 2.611 50 40 DFGB CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(Cl)c(O)c(OC)c1 408808303 FLTRZVQIKQTQGI-WUFUFFIZSA-N 308.765 2.876 50 40 DFGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(O)c1 408880873 LEKFEOPAOGQGHJ-XYOKQWHBSA-N 310.309 2.652 50 40 DFGB CC(=O)OCc1c(C)cc(C)c(/C=C(\C#N)C(N)=S)c1C 43561 RMDMXRNFVWTBCE-AWNIVKPZSA-N 302.399 2.868 50 40 DFGB C=CCN1C(=O)/C(=N/NC(=O)c2cccc(C)c2)c2ccccc21 5730691 MEBFGCMDWPWDHV-LVZFUZTISA-N 319.364 2.662 50 40 DFGB CC(C)C(=O)NNC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 15983893 FVWAMQFACUGBFX-NSHDSACASA-N 313.401 2.710 50 40 DFGB O=C(NNC(=O)c1ccc(Br)o1)Nc1ccccc1 524793 XKCLYRZPCZQGAO-UHFFFAOYSA-N 324.134 2.509 50 40 DFGB N#Cc1ccccc1-c1ccc(/C=N/NC(=O)c2cccnc2)o1 1093230 QPAGEADXJOPPGH-CIAFOILYSA-N 316.320 2.977 50 40 DFGB O=C(CSc1ncnc2ccccc12)N/N=C/c1ccccc1 1797278 GSKADTIXUWAGGZ-KEBDBYFISA-N 322.393 2.872 50 40 DFGB C/C(=N\NC(=O)CNc1ccc(Cl)cc1)c1ccc(O)cc1 409361519 HMERATFGEGQHSS-YBFXNURJSA-N 317.776 2.998 50 40 DFGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc([N+](=O)[O-])s1 408722877 NZDYCISCLDJGCD-WISUFSKPSA-N 307.375 2.933 50 40 DFGB COc1cc(/C=C(/C#N)C(N)=O)ccc1OCc1ccccc1 13576884 UKQAPLBTGADHNQ-DHDCSXOGSA-N 308.337 2.666 50 40 DFGB C=CCn1c(Cl)c(/C=N/NC(=O)c2ccccc2)sc1=O 10152216 NKXYHXQFWURXBC-CXUHLZMHSA-N 321.789 2.513 50 40 DFGB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NNC(=O)c2ccccc2)o1 16200574 UBBUCPPRTLHPDX-AMLHFVAASA-N 310.353 2.877 50 40 DFGB N#C/C(=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)O 97315694 AXDPFDMUGSZWEE-RUDMXATFSA-N 301.283 2.710 50 40 DFGB NC(=O)N/N=C/c1c[nH]c2ccc(OCc3ccccc3)cc12 408887624 PRAGOWZHWHIPAE-KEBDBYFISA-N 308.341 2.749 50 40 DFGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)OCO3)cc1 5917299 YRVHVOYNUQWILQ-JYRVWZFOSA-N 322.320 2.970 50 40 DFGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(O)cc1O 59171 PDRBMIROZRROSS-UDWIEESQSA-N 320.348 2.944 50 40 DFGB Cc1cc(C(=O)N/N=C2\C(O)=Nc3ccc(F)cc32)c(C)o1 6202073 LUOKGBKQZAUVKL-UHFFFAOYSA-N 301.277 2.771 50 40 DFGB N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)NC(N)=O 6835543 QSAHXWODHBNQGC-UKTHLTGXSA-N 307.309 2.581 50 40 DFGB CCC(=O)NNC(=O)c1csc(-c2ccc(CC)cc2)n1 9884718 QBDHFKTYKQTQLV-UHFFFAOYSA-N 303.387 2.544 50 40 DFGB COc1cccc2c1C(=O)c1c(O)c(CCl)cc(O)c1C2=O 5767885 UPWHDQPVRBFQOZ-UHFFFAOYSA-N 318.712 2.621 50 40 DFGB NNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1 5999698 MECXARPUACBUNV-UHFFFAOYSA-N 302.337 2.987 50 40 DFGB biogenic CCCNC(=O)[C@@]12CC[C@](C)(C(=O)[C@@H]1Br)C2(C)C 100868344 RVWKRSCPIFYAME-CUOATXAZSA-N 316.239 2.672 50 40 DFGB CCOC(=O)C/C(C)=N/NC(=O)[C@H](C)SCc1ccccc1 408719136 HFKNGPJLVKLBFD-VLURKWGBSA-N 322.430 2.754 50 40 DFGB Cc1ccccc1NC(=O)/C(C#N)=C1\C(=O)Nc2ccccc21 39556026 NZHHFUKBNMPSRO-SSZFMOIBSA-N 303.321 2.863 50 40 DFGB COc1ccc2c3c1O[C@@H]1[C@H](Cl)C=C[C@@H]4[C@@H](C2)N(C)CC[C@]314 90548555 CVLHOXTTXWEUCL-WYEVINAZSA-N 317.816 2.748 50 40 DFGB biogenic,in-vitro CCOc1ccc(/C=N/NC(=O)CNc2ccc(F)cc2)cc1 487134 NNPIJPGBONSDAL-RGVLZGJSSA-N 315.348 2.787 50 40 DFGB Cc1ccc(C)c(C(=O)C[C@@H]2O[C@@H](O)[C@@H](Cl)[C@H]2Cl)c1 5722604 KVGRFPSXOUEZGT-XDQVBPFNSA-N 303.185 2.808 50 40 DFGB COc1cc(Cl)cc(/C=N/NC(=O)OC(C)(C)C)c1O 507266 TWLFZGJJGGYHIH-VIZOYTHASA-N 300.742 2.913 50 40 DFGB O=C(CCc1ccccc1)NNC(=S)Nc1ccc(F)cc1 13571430 CSGOCDPMYZCYSG-UHFFFAOYSA-N 317.389 2.776 50 40 DFGB CCO[C@]1(c2ccccc2)C[C@@H]1C(=O)N/N=C/c1ccc(C)o1 4520487 FRNHVSHWPZLNOZ-YMTWKCNESA-N 312.369 2.990 50 40 DFGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)C1CCC1 8294331 JBCKIHDYNAVEFN-UHFFFAOYSA-N 315.398 2.680 50 40 DFGB O=C(CBr)c1cccc(I)c1 4776265 LZXVONZDKAPXSO-UHFFFAOYSA-N 324.943 2.869 50 40 DFGB Cc1n[nH]c2c1[C@@H](c1c(C)[nH]c3ccccc13)C(C#N)=C(N)O2 5818108 UHCCMMAQORUEEE-OAHLLOKOSA-N 305.341 2.726 50 40 DFGB O=C(N/N=C/c1ccc(OC(F)(F)F)cc1)c1ccncc1 255556 ZVYZYFZHBDVXPJ-DJKKODMXSA-N 309.247 2.744 50 40 DFGB C/C(=N/NC(=O)c1ccncc1)c1ccccc1OC(F)F 33530347 GABJGWKLRNFQJU-GRSHGNNSSA-N 305.284 2.837 50 40 DFGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccccc1O 223415 SIOQCTITBYLKHL-GIJQJNRQSA-N 303.749 2.608 50 40 DFGB CC(C)Oc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1 544544 DOAPHWXLWAGCHC-CXUHLZMHSA-N 317.301 2.739 50 40 DFGB N#CC1=C(N)Oc2c(ccc3cccnc23)[C@H]1c1cccnc1 405499 YUEJXNGYCSYOST-OAHLLOKOSA-N 300.321 2.848 50 40 DFGB CCOC(=O)c1c(NC(=O)CSC#N)sc2c1CCCC2 2176601 QJJPHFQGAVGGHJ-UHFFFAOYSA-N 324.427 2.956 50 40 DFGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/C=C/c1ccccc1 4090274 RPWWYMLDVZAUIG-KCHOUBKZSA-N 323.352 2.643 50 40 DFGB Cc1cc(C)n(CC(=O)N/N=C2/CCCCc3ccccc32)n1 6686911 YGSLSDHGLBMJHY-ZPHPHTNESA-N 310.401 2.747 50 40 DFGB O=C(Cn1cnc2ccccc21)N/N=C/c1c[nH]c2ccccc12 139004 KADCKCVLCGXFTN-UFFVCSGVSA-N 317.352 2.668 50 40 DFGB N#CC1=C(N)OC2=C(C(=O)O[C@H]3C=CC=C[C@H]23)[C@H]1[C@@H]1C=CCCC1 4955084 YJVGQMXEPONXHH-DHMWGJHJSA-N 322.364 2.605 50 40 DFGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OCC)c1OC 59334880 OSPWRAYSNFSBJY-GDNBJRDFSA-N 314.385 2.818 50 40 DFGB COc1cc(/C=N/NC(N)=O)ccc1OCc1ccc(C)cc1 565963 GNVFMIIUNZXBMJ-VXLYETTFSA-N 313.357 2.585 50 40 DFGB O=C(CCSc1ccc(F)cc1)NNC(=O)c1ccsc1 12681769 ISGXXMSOHLFCQH-UHFFFAOYSA-N 324.402 2.831 50 40 DFGB O=C(CCl)NC[C@H](c1ccccc1Cl)N1CCCC1 3423913 DUKNZWZOCCWAQU-CYBMUJFWSA-N 301.217 2.832 50 40 DFGB Cc1ccc(OCCOc2ccc(/C=C(\C#N)C(N)=O)cc2)cc1 13896570 DLCYNGYCGZUOBC-FOWTUZBSSA-N 322.364 2.845 50 40 DFGB O=C(N/N=C\c1ccc(Br)o1)c1ccc(F)cc1 4784525 OUJIMMRBBZVWKC-CHHVJCJISA-N 311.110 2.945 50 40 DFGB CCOc1ccccc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1 33319243 QOTBYUYSXDBFEZ-BOPFTXTBSA-N 313.313 2.757 50 40 DFGB CCN(Cc1ccccc1)CC1CCN(C(=O)CCl)CC1 79414937 ZFPVAJZASSYDCN-UHFFFAOYSA-N 308.853 2.986 50 40 DFGB CCOc1ccc(NC(=O)[C@@H](C)I)cc1 72226325 BNVNKDWASITHKC-MRVPVSSYSA-N 319.142 2.847 50 40 DFGB CCC[C@@H](/C=N\NC(=O)C(=O)N/N=C/[C@H](CC)CCC)CC 17313567 XFQSKSVYAFLVMO-WNKPKVPOSA-N 310.442 2.843 50 40 DFGB COc1ccc(/C(C)=N/NC(=O)c2ccc3c(c2)OCO3)cc1 5381912 PYUXEFQETJVTLE-WOJGMQOQSA-N 312.325 2.578 50 40 DFGB COc1ccccc1/C=N/NC(=O)[C@H](C)Oc1ccccc1C 12466801 BMIVHGIWLMNDRN-BXUJETTOSA-N 312.369 2.921 50 40 DFGB O=C(CSc1ccccc1)N/N=C/c1ccc2c(c1)OCO2 59166929 MASKHTQKGMVCSG-RQZCQDPDSA-N 314.366 2.658 50 40 DFGB COc1ccc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1C 409136473 RJSHJCLYSPSXOX-KRWDZBQOSA-N 323.396 2.734 50 40 DFGB Cc1cc(/C=N/NC(=O)c2ccncc2)c(C)n1-c1ccccn1 409245972 BTMOMHOORLFHJZ-CIAFOILYSA-N 319.368 2.648 50 40 DFGB O=C(N/N=c1/c(=O)c2cccc3cccc1c32)NC1CCCCC1 6566103 WIEBQMPMQBCCNN-HEHNFIMWSA-N 321.380 2.676 50 40 DFGB Cc1c(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c2ccccc2n1C 16249769 QWCFMYFYGGAJOX-YVGNARHYSA-N 323.396 2.689 50 40 DFGB CC(C)(C)c1ccc(-c2nnc3n2NC(N)=C(C#N)S3)cc1 20728262 QQFQEAAYYWMSAO-UHFFFAOYSA-N 312.402 2.543 50 40 DFGB O=C(N/N=C/c1ccccc1F)c1cccc(Cn2cccn2)c1 132023 FDKSJYMCCWQRPQ-UDWIEESQSA-N 322.343 2.834 50 40 DFGB C[C@H](Oc1ccc(N=C=O)cc1)C(=O)Oc1ccc(N=C=O)cc1 2061000290 VPAKSRGBFUDASG-LBPRGKRZSA-N 324.292 2.994 50 40 DFGB CCC1(CC)[C@H](OC)NC(Br)=C(C#N)C1(C#N)C#N 22145743 GLBKASGTJINECH-NSHDSACASA-N 323.194 2.532 50 40 DFGB CCOc1ccccc1NC(=O)C(=O)NN=C1CCCCCC1 58885848 LKMZKAPFUZSGOI-UHFFFAOYSA-N 317.389 2.850 50 40 DFGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 408971407 NXLQUKUFWKGJGL-ZFMFCUAKSA-N 317.345 2.577 50 40 DFGB N#C/C(=C/c1c[nH]nc1-c1ccccc1Br)C(=O)O 3888262 XGVODAZGSNXXPY-YVMONPNESA-N 318.130 2.831 50 40 DFGB CCOc1ccc(NC(=O)CCC(=O)N/N=C(\C)C2CC2)cc1 4525197 CUWNVRXDAUOGQE-XDHOZWIPSA-N 317.389 2.706 50 40 DFGB Cc1ccc(C(=O)N/N=C/c2ccc(O)cc2O)c(Cl)c1 9190561 IGRLIFSFIIPUHR-CAOOACKPSA-N 304.733 2.824 50 40 DFGB O=C(N/N=C\c1ccc(Br)cc1)c1ccncc1 31638539 WJDGJNGJDIMLRB-SXGWCWSVSA-N 304.147 2.608 50 40 DFGB CC(C)[C@@H](Br)C(=O)N1CCC[C@@H](c2cn[nH]c2)C1 96515836 LYFSBRSCYSHZKF-ZYHUDNBSSA-N 314.227 2.535 50 40 DFGB C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 100172141 KPAJWYDGZZITBI-XFUVHQQJSA-N 301.346 2.871 50 40 DFGB Cc1cc(OCC(=O)N/N=C/c2cccnc2)cc(C)c1Cl 504705 YKZXBOXPXVDVQP-DJKKODMXSA-N 317.776 2.881 50 40 DFGB COc1ccccc1/C=N/NC(=O)CSc1ccccc1 59146446 PQODWDUUSKTUCI-GZTJUZNOSA-N 300.383 2.938 50 40 DFGB ClC[C@@H](Cl)COC[C@H]1CO[C@@H]([C@H]2C[C@@H]3C=C[C@@H]2C3)O1 100940178 VUNCFBMWHARXEN-IZMFDJJNSA-N 307.217 2.803 50 40 DFGB C/C(=N\NC(=O)C1CC1)c1sc2nc(C)nc(C)c2c1C 84066820 IAAXWWNPRZIYFW-GIJQJNRQSA-N 302.403 2.867 50 40 DFGB CCN(C(=O)CCl)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 79392533 GTSMEMIOWCPCOG-VXGBXAGGSA-N 318.845 2.910 50 40 DFGB Cn1cccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3)c21 5123850 KVISDYKFBCJWLC-CQSZACIVSA-N 317.352 2.633 50 40 DFGB N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(N)=O 16401691 YNTGIYJDMXTYDU-NTEUORMPSA-N 323.308 2.566 50 40 DFGB O=C(N[C@H](C(=O)O)c1ccc(CCl)cc1)c1ccccc1 6514649 ANAVHKHLAXIOKL-AWEZNQCLSA-N 303.745 2.981 50 40 DFGB CNC(=O)/C(C#N)=C/c1c(-c2ccccc2)nc2ccccn12 17475061 HYJIVXJTNBDVFS-SDNWHVSQSA-N 302.337 2.654 50 40 DFGB CCOC(=O)c1sc(NNC(=O)c2ccc(F)cc2)nc1C 530836 FKSQGZOLFRQKRB-UHFFFAOYSA-N 323.349 2.524 50 40 DFGB CC[C@H]1CN2CC[C@]34C(=C(C=O)[C@H]1C[C@H]23)N(C)c1ccccc14 3999907 AYYGQHJUBAEPOC-GCYDMZABSA-N 308.425 2.961 50 40 DFGB biogenic CC[C@H](C(=O)NN)N1c2cc(OC)ccc2[C@H](C)CC1(C)C 260616213 HACBCOPRWPMZBL-BXUZGUMPSA-N 305.422 2.556 50 40 DFGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccn1 2755319 LZBVBQUMVLFUHI-VDCVXVNISA-N 303.749 2.653 50 40 DFGB CC(C)CCOc1ccc(C(=O)NNC(=O)C2CCC2)cc1 26860798 INNWMIKTTVCOJX-UHFFFAOYSA-N 304.390 2.673 50 40 DFGB O=C(O)/C=C\C(=O)Nc1ccc(OC(F)(F)[C@@H](F)Cl)cc1 4393331 GYQQNDDALGSLMJ-ISALQUGTSA-N 323.654 2.772 50 40 DFGB N#C/C(=C\c1c[nH]c2ncccc12)C(=O)NCCc1ccccc1 40288052 LQJRHNZEOCPNPZ-RVDMUPIBSA-N 316.364 2.829 50 40 DFGB Cc1cccc(/C=N/NC(=O)COc2c(C)cccc2C)c1O 3023249 FMQFRLWKHPPKRI-VXLYETTFSA-N 312.369 2.847 50 40 DFGB COC(=O)[C@H](C)SSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1626937 QSZXNTAGMHVGQB-LURJTMIESA-N 318.332 2.805 50 40 DFGB O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)F 3921154 XADKLKXKLMTFSZ-UHFFFAOYSA-N 317.145 2.619 50 40 DFGB COc1ccc2c3c1O[C@@H]1[C@H](Cl)C=C[C@@H]4[C@H](C2)N(C)CC[C@]341 4972552 CVLHOXTTXWEUCL-QQCQHEPOSA-N 317.816 2.748 50 40 DFGB biogenic,in-vitro N#C/C(=C\Nc1ccc(Sc2ccccn2)cc1)c1nnn[nH]1 34828475 XEQOHXAFHVLBIB-ZHACJKMWSA-N 321.369 2.722 50 40 DFGB C/C(=N\NC(=O)CCC(=O)Nc1ccc(C)c(C)c1)C1CC1 4525816 FCQWLFSQNYAJJX-CPNJWEJPSA-N 301.390 2.924 50 40 DFGB COc1ccc([C@H]2NC(=O)NC(C(C)(C)C)=C2C#N)cc1OC 409370710 DKLVMXLJYILTCW-CQSZACIVSA-N 315.373 2.881 50 40 DFGB CCOc1ccc(N[C@H]2SC(=O)N(CCCl)C2=O)cc1 36626572 NLSXDWOIRCUITA-NSHDSACASA-N 314.794 2.758 50 40 DFGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)NC(C)C)c(OC)c1 96487972 WSPOZFVNDVEWKV-GDNBJRDFSA-N 315.417 2.973 50 40 DFGB CCOc1ccc(Cl)cc1/C=C(/C#N)c1n[nH]c(N)c1C#N 4067328 VIPOAEARZNLYGY-YHYXMXQVSA-N 313.748 2.980 50 40 DFGB Cc1nn(C)c(Cl)c1/C=N/NC(=O)c1ccc(Cl)cc1 160022 NUPZJWLOMWPSQO-FRKPEAEDSA-N 311.172 2.799 50 40 DFGB O=C(N/N=C(\c1ccccc1)c1ccncc1)c1cccnc1 6337323 FXJMSBSIFGYOBX-HEHNFIMWSA-N 302.337 2.659 50 40 DFGB C/C(=N\NC(=O)c1ccccc1)c1cc2ccccc2oc1=O 4738445 MLIXHAHNCBLSNV-XDHOZWIPSA-N 306.321 2.947 50 40 DFGB Nc1cccc([C@@H](Br)[C@H](Br)C(=O)O)c1 97950074 YWKGMSUIJCYVNW-SFYZADRCSA-N 322.984 2.553 50 40 DFGB COc1ccc(Cl)cc1C/C=N\NC(=O)c1ccncc1 5030994 AGBLESULQKYYBV-NVMNQCDNSA-N 303.749 2.702 50 40 DFGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1 4106967 FZRKZNYNFQUPAE-RGVLZGJSSA-N 310.332 2.527 50 40 DFGB COc1cc(C(=O)N/N=C/c2ccsc2)cc(OC)c1OC 3251075 GXDISYIESRPLSA-LZYBPNLTSA-N 320.370 2.538 50 40 DFGB Cc1n[nH]c2c1[C@H](c1c(C)[nH]c3ccccc13)C(C#N)=C(N)O2 5818109 UHCCMMAQORUEEE-HNNXBMFYSA-N 305.341 2.726 50 40 DFGB CC(C)Oc1cccc(C(=O)NNC(=O)c2cccs2)c1 569151 PNXQSHUUNNKQKO-UHFFFAOYSA-N 304.371 2.610 50 40 DFGB CCCCCC(=O)NNC(=O)c1cc2ccccc2cc1O 24716480 GCFGZWJVVIIJJZ-UHFFFAOYSA-N 300.358 2.887 50 40 DFGB Cn1cccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3)c21 5123851 KVISDYKFBCJWLC-AWEZNQCLSA-N 317.352 2.633 50 40 DFGB O=C(O)CC/C(=N\NC(=O)c1cccc(F)c1)c1ccccc1 5680217 YUSMYUUTHYQVDE-XDJHFCHBSA-N 314.316 2.825 50 40 DFGB COC(=O)c1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1 3281909 VFWSRYPDKKDFHA-VCHYOVAHSA-N 316.744 2.891 50 40 DFGB CCO[C@H]1C[C@H]2[C@H](Cl)[C@@H]1NC2(C(F)(F)F)C(F)(F)F 34735836 RSEPZTQGKVOSMQ-ZTYPAOSTSA-N 311.653 2.854 50 40 DFGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2O)cc1OC 242372 ASBWKDPWQBUOJO-UKTHLTGXSA-N 324.336 2.955 50 40 DFGB C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccccc1OCC#N 100258814 XSAPIRZWPQVADU-JAURKABNSA-N 311.385 2.865 50 40 DFGB CC(C)C(=O)NNC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 15983892 FVWAMQFACUGBFX-LLVKDONJSA-N 313.401 2.710 50 40 DFGB O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc2c(c1)OCO2 123699 MJRDIHSLOYEJTB-DJKKODMXSA-N 307.309 2.661 50 40 DFGB Nc1ccccc1C(=O)NNC(=S)Nc1ccc(Cl)cc1 35623061 JRAJDYGHPKGWNH-UHFFFAOYSA-N 320.805 2.554 50 40 DFGB COc1cccc(/C=N\NC(=O)COc2cc(C)cc(C)c2)c1 33361710 CQHFAZFDSZTHLI-ODLFYWEKSA-N 312.369 2.841 50 40 DFGB COc1ccc(OC)c(/C=C(/C#N)C(=O)NCc2ccco2)c1 40889321 DIAIIQHIQPPDHM-JYRVWZFOSA-N 312.325 2.520 50 40 DFGB CCOC(=O)C1=CN2CCSC2=C(C#N)[C@@H]1c1ccco1 95117466 KBWGAUAXWBAMDL-ZDUSSCGKSA-N 302.355 2.608 50 40 DFGB COc1ccc(/C(C)=N/NC(=O)c2cccs2)cc1[N+](=O)[O-] 5370476 OPLYIOWKLFENSV-OQLLNIDSSA-N 319.342 2.819 50 40 DFGB CCN(CC)c1ccc(/C=C(\C#N)c2n[nH]c(N)c2C#N)cc1 12341081 QIMAGNGYQMMDIN-UKTHLTGXSA-N 306.373 2.774 50 40 DFGB O=P(c1ccccc1)(c1ccccc1)c1cccc(O)c1O 101525976 ORSCZGQHXXZNQZ-UHFFFAOYSA-N 310.289 2.737 50 40 DFGB COc1ccc(OCC(=O)N/N=C(\C)c2ccc(C)o2)cc1 5364000 YSLDQBIHYNYKDB-SFQUDFHCSA-N 302.330 2.516 50 40 DFGB Cc1ccc(C)c(CC(=O)N/N=C\c2ccccc2OCC#N)c1 409364618 ODNATHQWZWWRGY-BKUYFWCQSA-N 321.380 2.899 50 40 DFGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2)[C@H]2CSCC=C12 23410395 RXTFAAXINIBMQQ-JKSUJKDBSA-N 318.405 2.843 50 40 DFGB O=C(CCN1CCCCC1)NN=C1C2CC3CC(C2)CC1C3 1462613 HREQHYXJAKQOBH-UHFFFAOYSA-N 303.450 2.791 50 40 DFGB Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)o1 3291928 TZPZKQGJULJVIG-XYOKQWHBSA-N 310.309 2.905 50 40 DFGB CCCc1[nH]nc2c1[C@@H](c1ccc(N(C)C)cc1)C(C#N)=C(N)O2 6664674 RMBNKEAPXOWSDH-HNNXBMFYSA-N 323.400 2.646 50 40 DFGB COc1ccc(OCC(=O)N/N=C2/CCCc3ccccc32)cc1 34107411 POOOIHVBIHTPOF-ZZEZOPTASA-N 324.380 2.931 50 40 DFGB O=C(N/N=C\c1ccc2c(c1)OCO2)c1cc2ccccc2o1 33325830 IQJKGOIRIGLTIV-NVMNQCDNSA-N 308.293 2.925 50 40 DFGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1 5006553 BSKDOEAKWVJNED-IRVGEHRZSA-N 312.369 2.987 50 40 DFGB CC(C)(C)NC(=S)NNC(=O)c1cccc(C(F)(F)F)c1 8301632 XUIMOMNSZNIXEU-UHFFFAOYSA-N 319.352 2.613 50 40 DFGB Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)o1 7211941 SDKUVCZWDJNANQ-GXDHUFHOSA-N 323.352 2.836 50 40 DFGB Cc1ccsc1/C=N/NC(=O)c1c(C)nc2sccn12 408974983 HDPBOZZPVWVBOO-VGOFMYFVSA-N 304.400 2.838 50 40 DFGB Cn1cc(C(=O)N/N=C\c2ccc3c(c2)OCO3)c2ccccc21 33325828 WYBLYTUBVUIQDG-OCKHKDLRSA-N 321.336 2.671 50 40 DFGB NNC(=O)/C=C/c1ccc(-c2ccc(Br)cc2)o1 226256291 OWWZTZILZWDROH-SOFGYWHQSA-N 307.147 2.712 50 40 DFGB C=CCSC1=C(C#N)[C@H](c2ccccc2OC)CC(=O)N1 8971622 JVQIOKSDENFBDR-LBPRGKRZSA-N 300.383 2.953 50 40 DFGB C=C1CC(C(=O)N/N=C/c2ccc(-c3nnc(CC)s3)o2)C1 6605241 MIZDCPVSZLNJEI-LZYBPNLTSA-N 316.386 2.777 50 40 DFGB O=C(NNC(=O)N1CCC[C@@H]1c1ccsc1)c1ccccc1 50098353 ZURONLYBGKOBCZ-CQSZACIVSA-N 315.398 2.940 50 40 DFGB N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2O)c(F)c1 564304 OXWKWNYLZDCULW-UFWORHAWSA-N 317.707 2.820 50 40 DFGB CCCOc1ccc(/C=C(\C#N)C(N)=O)cc1Br 408884683 YWVNGDKJNUGUAC-UXBLZVDNSA-N 309.163 2.630 50 40 DFGB COCCOc1ccc(C(F)(F)F)cc1NC(=O)CCl 3269817 AQFVHMNPUFIIKH-UHFFFAOYSA-N 311.687 2.908 50 40 DFGB CC(=O)Oc1ccc(/C(C)=N\NC(=O)c2ccoc2C)cc1 13942086 WMPGVLJVRCWBDM-YVLHZVERSA-N 300.314 2.667 50 40 DFGB COc1ccc(C)cc1C(=O)NNc1ccccc1[N+](=O)[O-] 32747744 YTEAHVRGWQUOHR-UHFFFAOYSA-N 301.302 2.669 50 40 DFGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1O 33361083 VMFKLHREKMKRSM-WZUFQYTHSA-N 308.765 2.876 50 40 DFGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1O 96499103 SQCIGYGFDMYWJW-ZDLGFXPLSA-N 310.309 2.911 50 40 DFGB Cc1ccsc1/C=C(\C#N)C(=O)NCCN1CCCCC1 132934 LYKVLANITVZBJE-SDNWHVSQSA-N 303.431 2.566 50 40 DFGB Cn1cccc1CC(=O)N/N=C/C(Cl)=C/c1ccccc1 55517 DJPJAKGCORAPME-VVKOYFRTSA-N 301.777 2.950 50 40 DFGB O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc2[nH]cnc2c1 28351871 POUIPWGRWIOBAQ-ZVBGSRNCSA-N 303.325 2.808 50 40 DFGB CCCC/C(C)=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 4965539 AGYWKXCKJYWYTL-NTEUORMPSA-N 308.294 2.799 50 40 DFGB CNC(=O)/C(C#N)=C\c1cc(C)c(OCc2ccccn2)c(C)c1 97073502 GFYVLVPIQDSBLW-YBEGLDIGSA-N 321.380 2.930 50 40 DFGB COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3ccccc32)cc1 408946371 MNAFRQVLBMTDDE-INIZCTEOSA-N 306.321 2.691 50 40 DFGB N#C/C(=C/c1ccco1)C(=O)N1CCN(c2ccccc2)CC1 192595293 HRJJMELFFRTXSP-SQFISAMPSA-N 307.353 2.535 50 40 DFGB CCOC(=O)NNC(=O)Nc1ccc(O[Si](C)(C)C)cc1 195760624 IQUHINFBWRUVOZ-UHFFFAOYSA-N 311.414 2.683 50 40 DFGB CC1(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)OCCO1 4502698 WJYAGWGPSSIWBQ-UDWIEESQSA-N 324.380 2.542 50 40 DFGB N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)C(=O)NCCO 3899354 ASWPWZWWAPIRJG-XFXZXTDPSA-N 316.744 2.615 50 40 DFGB COc1ccc(/C=N/NC(=O)c2ccco2)cc1Br 231248 IDWQVGCYKLTANO-OVCLIPMQSA-N 323.146 2.815 50 40 DFGB N#C/C(=C/c1ccc2c(c1)OCCO2)C(=O)NCc1ccccc1 33863893 PUEZMENXNZWVSK-YBEGLDIGSA-N 320.348 2.681 50 40 DFGB O=C(COc1cccc2ccccc12)N/N=C/c1cccnc1 357799 XBJNKKZTDDYRDX-UDWIEESQSA-N 305.337 2.764 50 40 DFGB CCOc1c(Cl)cc(/C=C(/C#N)C(=O)N(C)C)cc1OC 59334259 HNVBKWFCFOSFSG-WDZFZDKYSA-N 308.765 2.742 50 40 DFGB COc1ccc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@@]23C)c(OC)c1 36505148 ABXNPFIDBFQMEO-CYXQDFGFSA-N 316.401 2.980 50 40 DFGB C/C(CC(=O)Nc1ccc(C)c(C)c1)=N\NC(=O)c1ccccn1 4691233 CLGCNSGYJVZSMG-KGENOOAVSA-N 324.384 2.833 50 40 DFGB O=C(N/N=C/c1ccc(O)cc1O)c1cc2c(s1)CCCC2 2661835 GDGWUFQWJOWVTE-RQZCQDPDSA-N 316.382 2.802 50 40 DFGB C#CCOc1cccc(/C=N/NC(=O)CNc2ccc(C)cc2)c1 408534525 VWXHADYNEKRCEP-FYJGNVAPSA-N 321.380 2.569 50 40 DFGB COc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1C(=O)O 566154 MCNIPXJURRJHAW-JLHYYAGUSA-N 322.320 2.939 50 40 DFGB CCOC(=O)N/N=C/c1cc(Br)ccc1OC 3243864 PTVSZZYJXIVCAW-NTUHNPAUSA-N 301.140 2.538 50 40 DFGB COc1ccc(C(=O)NN)cc1OCc1ccc(F)cc1Cl 226318949 ILBDDYZZFOMDGF-UHFFFAOYSA-N 324.739 2.670 50 40 DFGB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccoc1)C(C#N)=C(N)O2 31808 IIWJUZGHRGNEQE-INIZCTEOSA-N 318.336 2.992 50 40 DFGB COc1cccc(C(=O)N/N=C/c2ccc(N3CCCC3)o2)c1 59138213 HAVSMECYXYUQAL-LDADJPATSA-N 313.357 2.652 50 40 DFGB O=C(CCl)Nc1cccc(-c2nnc3n2CCCCC3)c1 12505137 FFXHIWKGSNSWNI-UHFFFAOYSA-N 304.781 2.849 50 40 DFGB O=C(NCCc1ccccc1)C(=O)NN=C1CCCCCCC1 4499490 PBKQJEBWWNIMQR-UHFFFAOYSA-N 315.417 2.562 50 40 DFGB O=C(CC1CCCCC1)NNC(=O)Cn1ccc2ccccc21 171324927 CVIJQWRISPPISA-UHFFFAOYSA-N 313.401 2.759 50 40 DFGB CC(=O)Nc1ccc(/C=N\NC(=O)/C=C/c2ccccc2)cc1 31723725 GNWOWXPAOBJRBH-VIVFWABWSA-N 307.353 2.809 50 40 DFGB CCc1ccc(C(=O)NNC(=S)Nc2cc(C)ccc2F)o1 63363380 YBELXMXTSGVAQW-UHFFFAOYSA-N 321.377 2.921 50 40 DFGB CCCSC1=C(C#N)[C@@H](c2ccc(O)c(OC)c2)CC(=O)N1 2478333 GFHNCVGWDXXYOC-LLVKDONJSA-N 318.398 2.883 50 40 DFGB O=C(COCC1CC1)NN=C(c1ccccc1)c1ccccc1 60603676 UCMRVVNYOPDXAQ-UHFFFAOYSA-N 308.381 2.982 50 40 DFGB CCOc1ccc(C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 3184247 USIKVMJTEQWLAA-CPNJWEJPSA-N 311.385 2.915 50 40 DFGB CCCCN/C(=N\P(=O)(NCCCC)NCCCC)NC 104213740 YDQHVZNFCLPOAE-UHFFFAOYSA-N 319.434 2.839 50 40 DFGB CNC(=O)/C(C#N)=C\c1ccc(-c2ccc(C)c(C(=O)O)c2)o1 59104359 CGWVZHBOKYVVKJ-GHXNOFRVSA-N 310.309 2.606 50 40 DFGB COC(=O)c1ccc(/C=N/NC(=O)[C@H]2C[C@H]2c2ccccc2)cc1 5526430 BTUTZQCSYLDOAN-YFGIWCPESA-N 322.364 2.727 50 40 DFGB CN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@H]1NC(=O)CCl 79408792 OTJWCHLUGYWWIY-GHMZBOCLSA-N 304.818 2.520 50 40 DFGB Cc1nn([C@H](C)C(=O)N/N=C/c2ccc(F)s2)cc1Cl 252508982 XZYFPVGYWKMLRL-SDUWKLLGSA-N 314.773 2.757 50 40 DFGB O=C1S[C@@H](Nc2ccccc2)C(=O)N1CCBr 12113059 BMJUFZJLXWJMNM-SECBINFHSA-N 315.192 2.515 50 40 DFGB C=CCn1/c(=N\NC(=O)c2ccncc2)sc2ccccc21 1573774 AWYNPUWRSORFIR-KNTRCKAVSA-N 310.382 2.530 50 40 DFGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccs2)[C@H]2CSCC=C12 2185027 CCKWFVSTTBMJRJ-GXTWGEPZSA-N 324.434 2.905 50 40 DFGB O=C(O)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104078043 GJBOKRUESHJDFO-UHFFFAOYSA-N 322.344 2.797 50 40 DFGB O=C(CO/N=C/c1ccccc1)N/N=C\c1c[nH]c2ccccc12 54996055 CGGYZZAVQQDPCG-UYDNRQAVSA-N 320.352 2.669 50 40 DFGB COc1ccc(NCC(=O)N/N=C/C=C\c2ccccc2)cc1 12420984 POAXCXKNVAVZQP-PQEZBVRXSA-N 309.369 2.923 50 40 DFGB biogenic COC(=O)N/N=C/c1cccc(OC(=O)c2ccccc2F)c1 408951500 IZGITNYTVRYVIP-VCHYOVAHSA-N 316.288 2.735 50 40 DFGB CC(C)NC(=O)ON1C(=O)c2ccccc2O[C@@H]1CCCl 160900 PBJDXODBMAGCNL-GFCCVEGCSA-N 312.753 2.526 50 40 DFGB O=C(N/N=C/c1ccc(Cl)s1)[C@H]1COc2ccccc2O1 34038 PTRDIWDLECIHKN-DYPRAHPUSA-N 322.773 2.692 50 40 DFGB CCCc1n[nH]c2c1[C@H](c1cc(F)ccc1F)C(C#N)=C(N)O2 806433 SFYAFAQFJYVQOD-CYBMUJFWSA-N 316.311 2.859 50 40 DFGB O=C(Cl)c1cc([N+](=O)[O-])c(N2CCCCC2)c([N+](=O)[O-])c1 26508972 NQVYYPTUCCIKMD-UHFFFAOYSA-N 313.697 2.872 50 40 DFGB CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1 408773740 LXSBMMGYCMYJMD-VCHYOVAHSA-N 300.289 2.515 50 40 DFGB Nc1ccccc1C(=O)N/N=C/c1ccc(Br)cc1 41212929 PHMGUMROLSQJFM-RQZCQDPDSA-N 318.174 2.795 50 40 DFGB CCCCC(=O)Nc1cccc(N2C[C@H](C(=O)Cl)CC2=O)c1 45953987 QPKJAKQWBSPUHM-LLVKDONJSA-N 322.792 2.934 50 40 DFGB COc1cccc(NC(=O)/C(C#N)=C\c2cccc(OC)c2O)c1 223170153 CLQJBWKSMPCRBO-LCYFTJDESA-N 324.336 2.955 50 40 DFGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(Cl)cc1 3195636 GYZRWDKSYLBQCZ-LICLKQGHSA-N 317.732 2.941 50 40 DFGB CCOC(=O)/C(C#N)=C\c1ccc(NC(=O)c2ccccn2)cc1 33775347 HMWWTQRTYFVKMI-KAMYIIQDSA-N 321.336 2.804 50 40 DFGB O=C(NNC(=S)Nc1ccccc1Cl)c1ccccc1 15934430 PCDZVRDOAQUCDS-UHFFFAOYSA-N 305.790 2.971 50 40 DFGB CCOc1ccc2oc(=O)c(C(=O)NNc3ccccc3)cc2c1 98086488 DJRSPEVEUJDABI-UHFFFAOYSA-N 324.336 2.949 50 40 DFGB C/C(=N\NC(=O)Cc1ccc2c(c1)OCCO2)c1ccccc1 409360316 DTOJGSLQLAKMMG-CPNJWEJPSA-N 310.353 2.541 50 40 DFGB COc1ccc(N2C(=O)[C@@H](Br)SC2=S)cc1 2570518 YSUQJNQSJRCJNL-QMMMGPOBSA-N 318.217 2.781 50 40 DFGB COc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1 140277 PGJHUWFDIDFRAB-GHRIWEEISA-N 306.365 2.961 50 40 DFGB CCOc1ccccc1OCC(=O)N/N=C/c1ccccc1C 3068675 UHUPVNTVLTXOEN-XDHOZWIPSA-N 312.369 2.923 50 40 DFGB Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)c1ccncc1 59160414 PDBIBLKDYXWJNW-DEDYPNTBSA-N 308.385 2.754 50 40 DFGB N#CC(C#N)=Cc1cn(CC(=O)N2CCCC2)c2ccccc12 409164131 CUFPCTIGNZZXST-UHFFFAOYSA-N 304.353 2.694 50 40 DFGB COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c1 13586156 JFMHZCNVZLFFKN-SFHVURJKSA-N 321.380 2.979 50 40 DFGB N#C/C(=C\c1ccccc1Br)C(=O)N1CCCC1 3261452 SCIGQIGBCNVIBQ-FMIVXFBMSA-N 305.175 2.978 50 40 DFGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccccc1C 4486981 VNQUJPCXTPGUMX-MRXNPFEDSA-N 310.353 2.806 50 40 DFGB C/C(=N\NC(=O)[C@H](C)Sc1ccccn1)c1ccccc1O 6625474 QXROFMJYNNSAED-HWQJWEFDSA-N 315.398 2.808 50 40 DFGB Cc1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)o1 546978 VXLOCAZRDFYKMP-LZYBPNLTSA-N 315.354 2.972 50 40 DFGB Cc1csc([C@H]2C(=O)NC(S)=C(C#N)C23CCCC3)n1 4205471 CFOSPKQXEORSJV-SNVBAGLBSA-N 305.428 2.890 50 40 DFGB C/C(=N\NC(=O)c1cccnc1)c1ccc(OC(F)F)cc1 5163211 UOETUAUTSAZVQR-VXLYETTFSA-N 305.284 2.837 50 40 DFGB C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)OC(C)(C)C 6586927 TWAWDDODDFZNDA-SECBINFHSA-N 314.769 2.663 50 40 DFGB C[C@H](Oc1ccc(C#N)cc1)C(=O)N/N=C1/CCc2ccccc21 97991992 QXBPLPWTSVHMQB-NAWWWVTNSA-N 319.364 2.792 50 40 DFGB NNC(=O)c1ccc(COc2ccccc2Br)cc1 370197 HFFQPGQSTWCDIN-UHFFFAOYSA-N 321.174 2.632 50 40 DFGB CCCCCC(=O)NNC(=O)COc1ccccc1C(C)C 8563748 MVQJJZSAQHIZTM-UHFFFAOYSA-N 306.406 2.917 50 40 DFGB CCCOc1ccc(C(=O)NNC(=O)c2ccc(C)cc2)cc1 3396398 UEFKNDVJPVYBSF-UHFFFAOYSA-N 312.369 2.859 50 40 DFGB COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1Cl 4815571 FRNFQQMFJHTEJH-RQZCQDPDSA-N 304.733 2.818 50 40 DFGB Cc1cc(C)c2c(c1)/C(=N\NC(=O)c1ccccc1O)C(O)=N2 15634545 CAFCRNUKDQVKCG-UHFFFAOYSA-N 309.325 2.745 50 40 DFGB O=C(COc1ccc(Cl)cc1)NNC(=O)Nc1ccccc1 585044 LFOTXBXPNBDQEF-UHFFFAOYSA-N 319.748 2.572 50 40 DFGB O=C1C=C(NNC(=O)c2ccccc2)C[C@@H](c2ccccc2)C1 1091154 IGUWGOACNHQENL-MRXNPFEDSA-N 306.365 2.952 50 40 DFGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1c[nH]c2ccccc12 318088 FKCWSYOTISYVAL-GIJQJNRQSA-N 308.297 2.840 50 40 DFGB CCCOc1c(Cl)cc(/C=C(\C#N)C(N)=O)cc1OCC 23718423 ZIYBLQPUOZNYRY-IZZDOVSWSA-N 308.765 2.920 50 40 DFGB O=C(NCCBr)c1cccnc1Oc1ccccc1 14808416 RLUOMMCRYJRHBR-UHFFFAOYSA-N 321.174 2.999 50 40 DFGB CC(C)Oc1ccccc1C1C(C#N)=C(N)SC(N)=C1C#N 19853590 HDPLUWWEKJIAGZ-UHFFFAOYSA-N 312.398 2.692 50 40 DFGB O=C(CCl)N1CCC(N(Cc2ccccc2)C2CC2)CC1 79415103 HFRSEGIMKDWSEO-UHFFFAOYSA-N 306.837 2.881 50 40 DFGB Cc1ccc(S(=O)(=O)/C(C#N)=C2\CCCCCN2)c(F)c1 98212075 OEGZOAMXLGTBMR-FYWRMAATSA-N 308.378 2.807 50 40 DFGB COC(=O)c1c(NC(=O)CCCl)sc2c1CCCC2 2679556 GLTWYLYPXNJQIC-UHFFFAOYSA-N 301.795 2.981 50 40 DFGB CC(C)(C)c1ccc(NC(=O)C(=O)N/N=C/c2ccco2)cc1 408999214 TWXKSSMKQIJRMF-WOJGMQOQSA-N 313.357 2.666 50 40 DFGB Cc1nn(C)c2c1[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 4674927 PONDYEHTQXHJTC-GFCCVEGCSA-N 318.739 2.739 50 40 DFGB CC[C@H](C)n1nccc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 253398762 HKHRCBUNFOBBQI-ZUZCIYMTSA-N 312.373 2.669 50 40 DFGB Cc1nn([C@@H](C)C(=O)N/N=C/c2ccc(F)s2)cc1Cl 252508981 XZYFPVGYWKMLRL-PDMWYYABSA-N 314.773 2.757 50 40 DFGB Cc1[nH]c2ccc([N+](=O)[O-])cc2c1/C=N/NC(=O)c1cccnc1 1021173 MMOUJQBDIYXCNV-GIJQJNRQSA-N 323.312 2.543 50 40 DFGB O=C(O)c1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1 8043122 YPDMNLOPNVUASB-RQZCQDPDSA-N 302.717 2.802 50 40 DFGB COc1ccccc1N[C@H](C)C(=O)N/N=C/c1ccc(F)cc1 234112 LROHHSIYDXYKKB-ZGXHQARYSA-N 315.348 2.785 50 40 DFGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc2c(c1)OCO2 359039 PZZPYZYZONZTHV-GIJQJNRQSA-N 316.744 2.762 50 40 DFGB O=C(c1ccccc1)[C@H](Cl)[C@H](SCCCl)C(=O)O 5601991 XHIFMOUXWQCECY-ONGXEEELSA-N 307.198 2.902 50 40 DFGB Cc1nc2ccccc2nc1C(=S)NNC(=O)c1ccccc1 16265135 RGTJFTOFNIDSDD-UHFFFAOYSA-N 322.393 2.548 50 40 DFGB O=C(NNC(=S)NCc1ccccc1)c1cccc(Cl)c1 6223180 WJIFWTYIUNQMBG-UHFFFAOYSA-N 319.817 2.649 50 40 DFGB O=C1N=C(N2CCCCC2)S/C1=C\c1cnn(CCCl)c1 57738840 YYBZPEJARCTYCF-WQLSENKSSA-N 324.837 2.578 50 40 DFGB O=C(Cc1ccc(F)cc1)N/N=C1/CC[C@@H]2SCCS[C@@H]12 95460162 PQVBWWNRIJUWOG-NGIQAFILSA-N 324.446 2.851 50 40 DFGB O=C(N/N=C/c1ccoc1)c1cc(Br)ccc1O 15924896 MMRPFTKVRMMKIU-MKMNVTDBSA-N 309.119 2.512 50 40 DFGB Cc1ccc(NC(=O)CCC(=O)N/N=C/c2ccco2)cc1C 6205660 KFEPTCRRJZKKND-WOJGMQOQSA-N 313.357 2.765 50 40 DFGB CN(C)C(=O)Cc1ccc(N(CCCl)CCCl)cc1 1722418 JOGFPLNEVNPZMN-UHFFFAOYSA-N 303.233 2.601 50 40 DFGB COC(=O)/C(C#N)=C/c1cnn(Cc2ccccc2Cl)c1 24586725 SGAVXWAVFUYSLU-AWNIVKPZSA-N 301.733 2.665 50 40 DFGB CCN1CCC(=NNC(=O)c2cc(C)nc3ccccc23)CC1 55079249 AJRVJVTVUGCYJF-UHFFFAOYSA-N 310.401 2.745 50 40 DFGB CCn1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)c2ccccc21 409253911 CMCILHNSAOQNON-BAOGCXAUSA-N 321.380 2.845 50 40 DFGB COc1ccc(/C=N/NC(=O)CCc2ccccc2)c(OC)c1 4545764 XAHJSYTWUOGSDK-CPNJWEJPSA-N 312.369 2.787 50 40 DFGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccncc1 408890948 ISXWBULELJNRJI-MDWZMJQESA-N 308.297 2.844 50 40 DFGB CCOC(=O)c1[nH]c2cccc3c2c1C[C@H](Br)C3=O 5640523 NOTGKWNERPTYSN-VIFPVBQESA-N 322.158 2.847 50 40 DFGB COc1cccc(C(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)c1 5381960 WTGNLCUPKMWPPM-GZTJUZNOSA-N 313.313 2.757 50 40 DFGB CCC[C@@H](/C=N/NC(=O)C(=O)N/N=C/[C@H](CC)CCC)CC 5560811 XFQSKSVYAFLVMO-GDNZEOJTSA-N 310.442 2.843 50 40 DFGB O=[P@@]1(N(CCCl)CCCl)NCCN1c1ccccc1 104194179 GDKZMZVXPIMGFA-LJQANCHMSA-N 322.176 2.984 50 40 DFGB O=C(NNC(=O)C1(c2ccc(Cl)cc2)CCC1)c1ccco1 12747026 CTHGJDDGYOXEGN-UHFFFAOYSA-N 318.760 2.816 50 40 DFGB CCCCC[C@@H](O)CCC(=O)NNC1=CC(=O)CC(C)(C)C1 13544394 KALPNLSEETUKEC-CQSZACIVSA-N 310.438 2.602 50 40 DFGB CCOc1cc2c(cc1/C=N\NC(=O)c1ccccc1)OCO2 409104916 LCPYQRWIFOWWRW-ZDLGFXPLSA-N 312.325 2.578 50 40 DFGB CCn1c(-c2ccccc2)cs/c1=N/NC(=O)c1ccncc1 33340405 JKUGKPGAHNTDHV-LVZFUZTISA-N 324.409 2.877 50 40 DFGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccncc2)cc1 3141913 MOAVQBOEDZWHRF-UDWIEESQSA-N 311.385 2.908 50 40 DFGB O=C(N/N=C\c1ccc(Cl)cc1)c1cccc2c1OCCO2 32200378 VSGNCKNAWMRKMX-ZDLGFXPLSA-N 316.744 2.875 50 40 DFGB C/C(=N/NC(=O)c1ccc(Cl)cc1)c1ccc(O)cc1O 95483000 DLCOJHCQSSVAEL-MFOYZWKCSA-N 304.733 2.905 50 40 DFGB C/C(=N/NC(=O)c1cc(O)ccc1O)c1cc(Cl)ccc1O 102333514 WGAGVZAGJJNUEA-IUXPMGMMSA-N 320.732 2.611 50 40 DFGB COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c1 13586158 JFMHZCNVZLFFKN-GOSISDBHSA-N 321.380 2.979 50 40 DFGB N#C/C(=C\c1ccccc1OCC(N)=O)c1ccc([N+](=O)[O-])cc1 409270450 PPPLNHCNHNDQSB-NTEUORMPSA-N 323.308 2.523 50 40 DFGB NNC(=O)CCc1ccc(-c2ccccc2Br)o1 216923641 FOLXHIOYBHDWJB-UHFFFAOYSA-N 309.163 2.632 50 40 DFGB O=C(CBr)Nc1ccc(OC[C@@H]2CCCO2)cc1 35605032 LIDLXLBFDHWMNR-LBPRGKRZSA-N 314.179 2.578 50 40 DFGB O=C(CSc1nc2ccccc2[nH]1)N/N=C\c1ccccc1 33293254 KDKVPKLISZJNRH-YVLHZVERSA-N 310.382 2.805 50 40 DFGB C/C=C1/CN2CC[C@]34C(=C(C=O)[C@H]1C[C@@H]23)Nc1c(O)cccc14 100742270 JDOFCMASVRMYJU-IRJYLVPCSA-N 308.381 2.563 50 40 DFGB biogenic COc1ccc(CC(=O)N/N=C/C=C/c2ccco2)cc1OC 5745512 LBLRZKBAOSUSMF-OBQYLLBLSA-N 314.341 2.655 50 40 DFGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccs2)[C@@H]2CSCC=C12 2185026 CCKWFVSTTBMJRJ-OCCSQVGLSA-N 324.434 2.905 50 40 DFGB O=C(N/N=C\c1ccc(Cl)s1)[C@@H]1COc2ccccc2O1 12360081 PTRDIWDLECIHKN-VQZCYCSMSA-N 322.773 2.692 50 40 DFGB CC(C)C[C@H](Br)C(=O)Nc1ccccc1C(N)=O 344401 SJSSPNMDWMSUNY-JTQLQIEISA-N 313.195 2.534 50 40 DFGB CS(=O)(=O)c1ccc(C(=C(C#N)C#N)c2ccccc2)cc1 26897248 XNVZSRKLUTXJAQ-UHFFFAOYSA-N 308.362 2.939 50 40 DFGB N#C/C(=C/c1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)O)c1 33762319 QBNDZQYUQNMHQK-NVNXTCNLSA-N 317.304 2.802 50 40 DFGB COc1cccc2sc(NC(=O)CBr)nc12 152839 PSLXQGJGXXHNLN-UHFFFAOYSA-N 301.165 2.638 50 40 DFGB C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1cc(O)ccc1O 20195528 AARFFQHGXCYTGA-CPNJWEJPSA-N 312.369 2.798 50 40 DFGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(C(=O)O)cc2)c1 9324339 UJZIAZUUGMMFGN-NTEUORMPSA-N 322.320 2.939 50 40 DFGB O=C(Cc1nc2ccccc2[nH]1)N/N=C/c1c[nH]c2ccccc12 3140806 VMFDVSZHZZTJDO-RGVLZGJSSA-N 317.352 2.737 50 40 DFGB C#CCOc1cccc(/C=N\NC(=O)Cc2ccc(CC)cc2)c1 409363823 NWOLPOWCUUHYCJ-QNGOZBTKSA-N 320.392 2.954 50 40 DFGB CCS(=O)(=O)[C@@](C)(CCl)C(=O)Nc1ccc(Cl)cc1 4837651 CGFUTMMAUPTDHM-LBPRGKRZSA-N 324.229 2.711 50 40 DFGB COc1ccc(/C=N\NC(=O)c2cc(C)oc2C)cc1OC 32576827 ZUHSAROFRQDYNB-MFOYZWKCSA-N 302.330 2.678 50 40 DFGB Cn1cccc1/C=C(/C#N)C(=O)NCCc1c[nH]c2ccccc12 408948388 FYNZOVHLGGIUNE-PTNGSMBKSA-N 318.380 2.772 50 40 DFGB O=C(N/N=C/c1ccccn1)c1cccc(Br)c1 252722 FJYXAUHKJHCQJA-CXUHLZMHSA-N 304.147 2.608 50 40 DFGB COc1cccc(/C=N\NC(=O)c2ccc(F)cc2)c1OC 13838221 DDCPCIXSWXNIBT-ZDLGFXPLSA-N 302.305 2.607 50 40 DFGB C=CCc1cc(/C=C(\C#N)C(=O)NCCC)cc(OCC)c1O 4616788 RKGUXEWFGZQRSQ-XNTDXEJSSA-N 314.385 2.953 50 40 DFGB O=C(N/N=C/c1ccc(Cl)cc1)C(=O)NC1CCCCCC1 409005750 KYPHZUPHFBTCKM-WOJGMQOQSA-N 321.808 2.629 50 40 DFGB COc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1O 33408376 PCWSWQBDIUPWEG-DHDCSXOGSA-N 308.337 2.624 50 40 DFGB Cc1ccc(OCC(=O)N/N=C/c2ccc(F)cc2)cc1C 8182723 OTHRLXCSXGOGMX-VXLYETTFSA-N 300.333 2.972 50 40 DFGB COC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 2132505 JRNXDZBWHGUERF-UHFFFAOYSA-N 321.160 2.540 50 40 DFGB CCOc1ccc(/C=N/NC(=O)c2ccncc2)cc1OCC 4721685 KFJBUUYTMLSGFZ-XDHOZWIPSA-N 313.357 2.643 50 40 DFGB COC(=O)c1ccc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc1 408980061 UFLGBFSJVFZOKW-OQLLNIDSSA-N 309.325 2.534 50 40 DFGB N#Cc1ccc(C(=O)N/N=C/c2ccc(O)c(Cl)c2)c(F)c1 408968320 VIQYIKPLZGDXEL-UFWORHAWSA-N 317.707 2.820 50 40 DFGB COCCNC(=O)/C(C#N)=C/c1cc(C(C)C)c(OC)cc1C 5006497 DHHUTTLUJRLRST-OQLLNIDSSA-N 316.401 2.797 50 40 DFGB NNC(=O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 4737486 JAKRTQLMKZWQJA-UHFFFAOYSA-N 300.402 2.523 50 40 DFGB COc1ccccc1NC(=O)C(=O)NN=C1CCCCCCC1 59515770 NAOPXEZJCFBVOA-UHFFFAOYSA-N 317.389 2.850 50 40 DFGB CCOC(=O)NNC(=O)c1ccc(CSc2ccccc2)o1 30578871 UWLDFLMNXPDMEO-UHFFFAOYSA-N 320.370 2.963 50 40 DFGB Cc1ccc(C(=O)N/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)cn1 30803046 OAJGJDRZKHOVGX-IDUWFGFVSA-N 318.720 2.716 50 40 DFGB CC(C)(C)C(=O)N[C@@H]1CCCC[C@@H]1I 1720150 SGNUQPHCBJCFJK-DTWKUNHWSA-N 309.191 2.895 50 40 DFGB C[C@@H](Br)C(=O)NC1=C(C#N)[C@H]2CCC[C@@H]2S1 4872052 HWZYDWHXBXTAKG-BHNWBGBOSA-N 301.209 2.537 50 40 DFGB CCc1cc(C(=O)NNC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)cs1 6489862 REPSGWTWMZGFBL-CWSCBRNRSA-N 323.487 2.608 50 40 DFGB CC(C)(C)C1CCC(=NNC(=O)C(=O)N2CCCCC2)CC1 59435604 UJBQQZVUJXUFQJ-UHFFFAOYSA-N 307.438 2.707 50 40 DFGB CCc1cc(CC)c(C2C(C#N)=C(N)OC(N)=C2C#N)c(CC)c1 12320956 SEEGHCYARFLYND-UHFFFAOYSA-N 322.412 2.875 50 40 DFGB O=C(Cl)c1ccc(N2CCCCS2(=O)=O)cc1Cl 96345859 VVJZBSGFLJQPFN-UHFFFAOYSA-N 308.186 2.649 50 40 DFGB O=C(NCc1ccc(Cl)cc1)C(=O)NN=C1CCCCCC1 4088265 OQPWWNXLUNONPB-UHFFFAOYSA-N 321.808 2.783 50 40 DFGB C[C@H](SCc1ccccc1)C(=O)NNC(=O)c1cccs1 44282535 HLZDBIPNXDEEPM-NSHDSACASA-N 320.439 2.831 50 40 DFGB CCCCOc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1 2056588 KFRCHXOVAXHWJB-XMHGGMMESA-N 317.433 2.802 50 40 DFGB CCCc1n[nH]c2c1[C@H](c1ccc(OCC)cc1)C(C#N)=C(N)O2 5051878 XGEYSAPQYLCZRJ-OAHLLOKOSA-N 324.384 2.979 50 40 DFGB C/C(=N/NC(=O)c1ccccn1)c1cccc(NC(=O)C2CC2)c1 5381337 GNKOHFXYVPZYSC-MTJSOVHGSA-N 322.368 2.584 50 40 DFGB N#C/C(=C\c1ccc(Br)o1)C(=O)NCc1ccco1 4723442 TVGQEAWRXIHJFG-RMKNXTFCSA-N 321.130 2.858 50 40 DFGB COc1ccc(O)c(/C=N/NC(=O)Cc2ccc(Cl)cc2)c1 48573346 RREZILDLJHDEEN-VCHYOVAHSA-N 318.760 2.747 50 40 DFGB CN(CCC#N)c1ccc(/C=N/NC(=O)Cc2ccccc2)cc1 5737923 KHOIDFDVQDVYIA-RCCKNPSSSA-N 320.396 2.729 50 40 DFGB CC(C)C(=O)NNS(=O)(=O)c1ccc(C2CCCCC2)cc1 16097506 ORNCVTWCBWSKDK-UHFFFAOYSA-N 324.446 2.700 50 40 DFGB COc1cc(/C=C/C(=O)NN)ccc1OCc1ccc(C)cc1 226335633 SDJWLLLNABAFOM-CSKARUKUSA-N 312.369 2.586 50 40 DFGB Cc1ccc(N2C[C@@H](NC(=O)C(C)(C)CCl)CC2=O)cc1C 5194183 DESMCYRLRNNKJB-ZDUSSCGKSA-N 322.836 2.790 50 40 DFGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1C 203820 TUKLJPDLUWPHSF-QGZVFWFLSA-N 308.337 2.927 50 40 DFGB NC(=O)[C@H](c1ccccc1)N(C(=O)CCCl)c1ccccc1 2319330 GINGEFTUVDFSGU-INIZCTEOSA-N 316.788 2.875 50 40 DFGB COc1ccc(/C=C(\C#N)c2n[nH]c(=O)c3ccccc23)cc1 5696209 CQVKCLMFGWZLBU-JLHYYAGUSA-N 303.321 2.996 50 40 DFGB COc1cc(/C=N/NC(=O)c2ccoc2C)ccc1OC(F)F 8229124 MEKRXLIHHNESIW-QGMBQPNBSA-N 324.283 2.962 50 40 DFGB C/C(=N\NC(=O)Cn1cnc2ccccc21)c1ccc(F)cc1 6369643 LOFOHCMMEXRZHS-UDWIEESQSA-N 310.332 2.716 50 40 DFGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccccc1Cl 34703557 JOPVMWLZPANWKI-YVLHZVERSA-N 317.732 2.941 50 40 DFGB O=C1C[C@@H]2C[C@@H]1[C@H]1C[C@@H](Br)[C@@H](Br)[C@H]21 104132389 QTXRCFAWQJVHFE-ZJLFTHFRSA-N 308.013 2.758 50 40 DFGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(O)c2)c1 28355898 WCLGZFBAXUZGEB-MDWZMJQESA-N 324.336 2.955 50 40 DFGB O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1cccc(Cl)c1 36184121 PETYWAZBFOOYON-LZYBPNLTSA-N 319.704 2.718 50 40 DFGB CCOc1ccc(C(=O)N/N=C/c2ccccc2C(=O)O)cc1 13339076 VPUXVJPTUWLHRU-WOJGMQOQSA-N 312.325 2.547 50 40 DFGB COc1cccc([C@@H]2NC(=O)NC(C(C)(C)C)=C2C#N)c1OC 409367515 CSTCIARNUSBOBN-ZDUSSCGKSA-N 315.373 2.881 50 40 DFGB COc1ccc(C(=O)N/N=C/c2ccc(F)cc2)c(OC)c1 6381335 MHWPEKABKPQCJL-VCHYOVAHSA-N 302.305 2.607 50 40 DFGB CN(C)C(=O)/C(C#N)=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 59333658 KWGHGJZWVWPMDY-XFXZXTDPSA-N 311.297 2.850 50 40 DFGB CCOc1ccc(Br)cc1/C=N/NC(=O)OC 4677380 GWVSRIMWDKYFRX-NTUHNPAUSA-N 301.140 2.538 50 40 DFGB Cc1ccc(NC(=O)CCC(=O)N/N=C/c2ccccn2)c(C)c1 6189664 BLHBXLQCOAUUDR-UDWIEESQSA-N 324.384 2.567 50 40 DFGB O=C(c1ccc([N+](=O)[O-])cc1)C(Br)Br 158040 WGQQBLCVHANXMX-UHFFFAOYSA-N 322.940 2.893 50 40 DFGB CCOC(=O)/C(C#N)=C\Nc1nc2ccc(OC)cc2s1 10384897 HOVPUPXDSUMEQN-HJWRWDBZSA-N 303.343 2.687 50 40 DFGB O=C(N/N=C/c1cccc(Br)c1)c1ccccc1O 3093567 GQOWDRYCVQDOKL-CXUHLZMHSA-N 319.158 2.919 50 40 DFGB O=C(CC(=NNC(=O)c1ccco1)C(F)(F)F)c1ccco1 408957883 WONYDQOTTBOGRT-UHFFFAOYSA-N 314.219 2.794 50 40 DFGB N#Cc1ccccc1OCC(=O)N/N=C/C=C/c1ccccc1 2147878 JQKZBTJPRJBNDV-XCHVBMRISA-N 305.337 2.752 50 40 DFGB CC(=O)NNc1ncc(C(=O)/C=C\c2ccccc2C)s1 5808924 ARUJCKNBXWPHTG-FPLPWBNLSA-N 301.371 2.811 50 40 DFGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc[nH]1 3527261 RYHRFALJVLYVFQ-DNTJNYDQSA-N 310.279 2.596 50 40 DFGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccccc2O)c(O)c1 408586457 CEAVSDWGFNEOKL-VCHYOVAHSA-N 314.341 2.649 50 40 DFGB Cc1ccc(SCCC(=O)NN=C2CCN(C)CC2)cc1 409131330 IGYJWUGFFHOGBF-UHFFFAOYSA-N 305.447 2.675 50 40 DFGB CC(=O)c1ccc(OCC(=O)NNc2ccc(F)cc2)cc1 45970256 UECXMKIEFQOXHP-UHFFFAOYSA-N 302.305 2.550 50 40 DFGB CC(C)(C)OC(=O)N1CCn2cc(CBr)nc2C1 1772715331 XYSZBYJFBABHPB-UHFFFAOYSA-N 316.199 2.529 50 40 DFGB O=C(N/N=C\c1c[nH]nc1-c1ccccc1)c1ccccc1O 8576513 KHRDRLYCBAFTTJ-ODLFYWEKSA-N 306.325 2.546 50 40 DFGB COc1ccc(OCC(=O)N/N=C/c2c(F)cccc2F)cc1 3173070 BUORPDUWHYAWBJ-DJKKODMXSA-N 320.295 2.503 50 40 DFGB N#CC1=C(S)N(c2ccccc2)[C@H](c2ccccc2)NC1=O 4619741 SHGAPLGCSXZJMV-OAHLLOKOSA-N 307.378 2.987 50 40 DFGB COc1cc(/C=C(\C#N)C(N)=O)ccc1Cc1ccccc1F 408885106 XPEDQBONHAFNES-OVCLIPMQSA-N 310.328 2.817 50 40 DFGB CCOC(=O)C1=C(C)NC(S)=C(C#N)[C@@H]1c1cccs1 19825715 RXBWSZHRKUTUSJ-GFCCVEGCSA-N 306.412 2.937 50 40 DFGB CCNC(=O)Cc1ccc(N(CCCl)CCCl)cc1 1711141 DNWYNHYCHKJTPX-UHFFFAOYSA-N 303.233 2.649 50 40 DFGB CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)CBr 1764164 SUVXZTLARLVLOJ-SECBINFHSA-N 308.216 2.890 50 40 DFGB N#CC1=C(N)Oc2cc([N+](=O)[O-])ccc2[C@@H]1c1cccc(O)c1 483038 KSEGFJUAMDAVCA-HNNXBMFYSA-N 309.281 2.519 50 40 DFGB CC1(C)CC(O)=C/C(=N/NC(=O)[C@H]2COc3ccccc3O2)C1 100831100 JWTKZKLUBDZLRZ-JQFNYASXSA-N 316.357 2.561 50 40 DFGB O=C(N/N=C/c1ccncc1)c1ccc(Br)cc1 2766307 OLYGSKHOGRVGIE-CXUHLZMHSA-N 304.147 2.608 50 40 DFGB O=C1/C(=C\N(CCCl)CCCl)COc2ccccc21 104192488 COKVWJDPPRXIAO-LUAWRHEFSA-N 300.185 2.925 50 40 DFGB C[C@@H]1Cc2cc(/C=C(\C#N)C(=O)NCc3cccnc3)ccc2O1 13207158 SPZQHFAAYQYSHG-LFMVTYOGSA-N 319.364 2.628 50 40 DFGB CC(C)(C)OC(=O)N1CCC([C@H](Br)C=O)CC1 66339543 PEMBPKBSSGOIRP-SNVBAGLBSA-N 306.200 2.596 50 40 DFGB Cc1cc(/C=N/NC(=O)c2ccncc2)ccc1N1CCCC1 409061981 KZMVIICPGMJYRU-DEDYPNTBSA-N 308.385 2.754 50 40 DFGB N#CC1=C(N)OC2=C(C(=O)OC2)[C@H]1c1ccc(Cl)cc1Cl 5943881 MOHLQGXIDNMFEV-NSHDSACASA-N 323.135 2.612 50 40 DFGB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(N)=O)cc21 208466307 HDGPWKZQXIQBED-QGMBQPNBSA-N 306.797 2.974 50 40 DFGB CCC1=C(C(=O)OC)[C@H](c2ccc(F)cc2F)C(C#N)=C(N)O1 4784043 DVIWLTMXYXTSAC-CYBMUJFWSA-N 320.295 2.610 50 40 DFGB Cc1cc(C(=O)NNC(=O)CSCc2ccccc2)c(C)o1 2621493 RRCVGACUBSRORM-UHFFFAOYSA-N 318.398 2.591 50 40 DFGB O=C(O)CC/C(=N\NC(=O)C1CCCCC1)c1ccccc1 6337135 ACHFLXFBURSUME-OBGWFSINSA-N 302.374 2.952 50 40 DFGB CCCC(=O)Nc1cc(OC)c(NC(=O)CCl)cc1OC 1324301 SFSYHRFDVRRYHK-UHFFFAOYSA-N 314.769 2.620 50 40 DFGB Cc1occc1C(=O)NNC(=O)N(C)Cc1ccccc1Cl 32795449 BXNNMRIDTQXVQV-UHFFFAOYSA-N 321.764 2.728 50 40 DFGB O=CC1=C(N2CCOCC2)/C(=C/c2cccc([N+](=O)[O-])c2)CC1 3195479 DSBSXSXSJKFLBW-GXDHUFHOSA-N 314.341 2.557 50 40 DFGB COc1ccc(OC)c(/C=N\NC(=O)[C@H]2[C@@H]3CCCC[C@]32C)c1 100921349 NLJBFDQRIPHXFJ-AIUZXNLTSA-N 316.401 2.980 50 40 DFGB Cc1cc2ccccc2n1CC(=O)N/N=C/c1ccc(O)cc1 4711955 XXTXDSNEUYHGSA-YBFXNURJSA-N 307.353 2.806 50 40 DFGB N#C/C(=C\c1ccc(C(=O)O)cc1)S(=O)(=O)c1ccccc1 111894 BTBNNVMBUUHFQD-XNTDXEJSSA-N 313.334 2.723 50 40 DFGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1c[nH]c2ccccc12 318069 YEPQCLLNAGXAJG-UFWORHAWSA-N 307.309 2.661 50 40 DFGB N#CCC(=O)N/N=C/c1cccn1-c1cccc(C(F)(F)F)c1 408931941 SITTUVWEHAUICU-KEBDBYFISA-N 320.274 2.860 50 40 DFGB C[C@@H](NC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])o1)c1ccccc1 6525266 YKAPTNHJXOXVNR-NASPGAHYSA-N 311.297 2.972 50 40 DFGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccncc1 9089152 OYKPAWSIQBRZMV-CQSZACIVSA-N 315.336 2.690 50 40 DFGB O=C1S[C@H](Nc2ccccc2)C(=O)N1CCBr 12113060 BMJUFZJLXWJMNM-VIFPVBQESA-N 315.192 2.515 50 40 DFGB Cc1ccc(-n2c3ccccc3c3cc(B(O)O)ccc32)cc1 200681409 GYFSBCDGBBWMBE-UHFFFAOYSA-N 301.154 2.772 50 40 DFGB O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Cl)c2[N+](=O)[O-] 4610611 NWFOTILLJRKQQH-UHFFFAOYSA-N 315.668 2.749 50 40 DFGB COc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1Br 6827530 RYAVADZEVRRISQ-WDZFZDKYSA-N 323.190 2.889 50 40 DFGB O=C(Cc1csc(-c2ccccc2)n1)N/N=C/c1cccnc1 575885 GEMVCSTYMIIUJR-YBFXNURJSA-N 322.393 2.898 50 40 DFGB O=C(NNc1ccc([N+](=O)[O-])cn1)Nc1ccccc1Cl 6269471 OTLUXFAZUXSOBN-UHFFFAOYSA-N 307.697 2.792 50 40 DFGB C/C(=N\NC(=O)COc1ccccc1Cl)c1ccccc1O 4498720 ICQRVKPAJOGVGZ-WOJGMQOQSA-N 318.760 2.965 50 40 DFGB CCn1cccc1/C=C(/C#N)C(=O)Nc1cccc(C(=O)O)c1 408544807 XQCLZDIHWBLNAG-RAXLEYEMSA-N 309.325 2.752 50 40 DFGB COc1ccc(Br)cc1/C=N/NC(=O)c1ccco1 227728 ICKUWLDXBAHOLN-OVCLIPMQSA-N 323.146 2.815 50 40 DFGB Cc1cc(NNC(=O)NC2CCCCC2)nc(Cl)c1C#N 12446180 CBOCSRCVQOSDDA-UHFFFAOYSA-N 307.785 2.874 50 40 DFGB O=C1c2cc(Br)c(F)cc2O[C@@H]1Br 169797333 HEEQRFZSSWMGRV-QMMMGPOBSA-N 309.916 2.884 50 40 DFGB CC(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1 6822158 OWHIOJGDMGAGPE-GZTJUZNOSA-N 320.348 2.835 50 40 DFGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccccc3F)n2c1 59444020 RBAJOFXUIDFSGS-DJKKODMXSA-N 310.332 2.854 50 40 DFGB CCC[C@H](C(=O)NN)N1c2c(OC)cccc2C(C)=CC1(C)C 223221245 NKCDJEXPPWDGAM-CQSZACIVSA-N 317.433 2.856 50 40 DFGB COc1ccccc1NCC(=O)N/N=C(C)/C=C/c1ccco1 5260615 PZZMPVNIBJGBFE-OHNABYMDSA-N 313.357 2.906 50 40 DFGB CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN)c([N+](=O)[O-])c1 244390 LGKXWAJKQOHDAF-UHFFFAOYSA-N 323.393 2.677 50 40 DFGB COc1ccc(OCC(=O)N/N=C(/C)c2cccs2)cc1 6021429 MPXOGMHNKDAMBV-WJDWOHSUSA-N 304.371 2.676 50 40 DFGB C[C@H](Cl)C(=O)NCCC(=O)Nc1ccc2ccccc2c1 15423146 TUYNMBNGLSLBGB-NSHDSACASA-N 304.777 2.912 50 40 DFGB COc1cccc(/C=N/NC(=O)c2ccc(F)cc2)c1OC 256662 DDCPCIXSWXNIBT-VCHYOVAHSA-N 302.305 2.607 50 40 DFGB COC(=O)c1ccc(NC(=O)O/N=C(/Cl)CCl)cc1 97956079 CXTVADJKWLVZLP-OQLLNIDSSA-N 305.117 2.813 50 40 DFGB O=C(O)c1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1 30822085 UQKSMAWMZDUXML-MFOYZWKCSA-N 302.717 2.802 50 40 DFGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)c(Cl)cc1OC 59334997 SYYZTHOFSCUAOU-WDZFZDKYSA-N 308.765 2.742 50 40 DFGB C/C(=N/NC(=O)c1cccc(Cl)c1)c1cc(O)ccc1O 4602768 JQTFMARVDAEWDF-MFOYZWKCSA-N 304.733 2.905 50 40 DFGB Cc1ccc(/C=N\NC(=O)c2ccncc2)cc1Br 33580870 CCVZNBPZMNEFKH-MFOYZWKCSA-N 318.174 2.916 50 40 DFGB O=C(O)[C@@H](Br)Cc1ccc(Br)cc1 225012369 QMSMCUMJLQUQEA-QMMMGPOBSA-N 307.969 2.840 50 40 DFGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1c(F)cccc1F 35323915 ADKATXHYLMKAAM-CYBMUJFWSA-N 302.280 2.780 50 40 DFGB CC(=O)C1=C(C)NC(C(=C=N)C#N)=C(C#N)[C@H]1c1ccccc1 33681670 DWZVAKZHLXUNHC-QGZVFWFLSA-N 302.337 2.713 50 40 DFGB Cc1ccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)cc1 74966 TXTGCHSVERZRFW-KRWDZBQOSA-N 322.412 2.572 50 40 DFGB CC(/C=N\NC(=O)Cn1cncn1)=C/c1ccc(C(C)C)cc1 31870166 VGZNGFWMGAZTRU-XFHLAZCHSA-N 311.389 2.607 50 40 DFGB O=C(Cc1cccc(Cl)c1)NNC(=S)Nc1ccccc1 2562047 QLJFNSRZLKMABI-UHFFFAOYSA-N 319.817 2.900 50 40 DFGB Cc1cc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 9014041 UZQKWEMLNDQRBU-CYBMUJFWSA-N 313.744 2.555 50 40 DFGB COc1ccc(/C=N\NC(=O)Nc2ccccc2)cc1[N+](=O)[O-] 217037451 QTURNXNDIZTBRU-YBEGLDIGSA-N 314.301 2.759 50 40 DFGB Cc1ccc(S(=O)(=O)n2nc(C)c(CCCl)c2C)cc1 6233968 YCNQPNHTNQMWKB-UHFFFAOYSA-N 312.822 2.827 50 40 DFGB O=C(CCl)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 13609013 SBXNGNNCQJLYDG-UHFFFAOYSA-N 304.712 2.737 50 40 DFGB Cn1ccnc1-c1nn(CCCl)c2ccc([N+](=O)[O-])cc12 11906212 ZYGYRGMTEXOQRT-UHFFFAOYSA-N 305.725 2.584 50 40 DFGB CC(C)(/C=N\O)NNC(=O)Nc1cccc(C(F)(F)F)c1 105398856 FRABJKYOYFJFTJ-APSNUPSMSA-N 304.272 2.570 50 40 DFGB CCOc1ccc(/C=N/NC(=O)CNc2ccc(C)cc2)cc1 4711886 UGKWTUDBUKJQIE-UDWIEESQSA-N 311.385 2.956 50 40 DFGB O=S(=O)(c1cccc(CBr)c1)C(F)(F)F 66325774 CSEJNPDLDAEZQZ-UHFFFAOYSA-N 303.099 2.875 50 40 DFGB CCc1sc(C(=O)NN=C2CCN(C(=O)OC)CC2)cc1C 83817525 KQQGCPKYRUFIRR-UHFFFAOYSA-N 323.418 2.567 50 40 DFGB CCOC(=O)c1ccccc1OC(=O)NNc1ccccc1 1652022 WIQLDOABYYWJBA-UHFFFAOYSA-N 300.314 2.979 50 40 DFGB CCOc1ccc(/C=N/NC(=O)c2c(C)nc3ccccn23)cc1 535107 IWDOKRDCRCWBOY-XDHOZWIPSA-N 322.368 2.805 50 40 DFGB CCOC(=O)/C(C#N)=C\C1=C(N2CCCC2)C[C@@](C)(CC)OC1 49565931 NUTVEPLVICAVFD-RXEWJAMOSA-N 318.417 2.938 50 40 DFGB O=C(Cc1ccc(F)cc1)NNC(=O)Nc1cccc(Cl)c1 15516792 SFTRATRPPSKTFM-UHFFFAOYSA-N 321.739 2.875 50 40 DFGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C\c1cccc([N+](=O)[O-])c1 408718534 VWLWWWJEAAZRFM-ODQSYCQDSA-N 301.346 2.871 50 40 DFGB CCOC(=O)c1ccc([C@@H](C)NNC(=O)OC(C)(C)C)cc1 40443138 UMABWHANJGIRER-LLVKDONJSA-N 308.378 2.954 50 40 DFGB COc1ccc2c(c1)N([C@@H](C(=O)NN)C(C)C)C(C)(C)C[C@H]2C 260622023 QIVXJKMOJRFGKV-MLGOLLRUSA-N 319.449 2.802 50 40 DFGB COc1cccc(/C=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 5618282 YRASXRDGRDCLMA-LICLKQGHSA-N 313.313 2.676 50 40 DFGB CCOc1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 2740804 UVTQWZJELZLNRN-GZTJUZNOSA-N 313.313 2.757 50 40 DFGB CCc1ccc(C(=O)NNC(=O)Nc2ccc(F)cc2)cc1 12907911 FMSSPCGNAWFDJM-UHFFFAOYSA-N 301.321 2.855 50 40 DFGB NNC(=O)c1cc(-c2cc3ccccc3oc2=O)ccc1Cl 216937130 MWRXPWLNBNNGGY-UHFFFAOYSA-N 314.728 2.717 50 40 DFGB O=C(NN=C(c1ccccc1)c1ccccc1)c1cccc[n+]1[O-] 44901809 LQIPDBLMTAPHTP-UHFFFAOYSA-N 317.348 2.502 50 40 DFGB Cc1cc(C(=O)NNC(=O)Cc2c(F)cccc2Cl)c(C)o1 3411270 YNLHJZQTICMFCZ-UHFFFAOYSA-N 324.739 2.693 50 40 DFGB CCOC(=O)/C(C#N)=C\c1cccc(OC(=O)c2ccco2)c1 5929477 BHPGZRNAALMYJP-LCYFTJDESA-N 311.293 2.969 50 40 DFGB O=C(N/N=C/c1ccc(N2CCCC2)cc1)c1ccc(O)cc1 9265466 WUHCTBFGWUUPBB-CPNJWEJPSA-N 309.369 2.756 50 40 DFGB O=C(NNC(=O)c1cc(F)c(Cl)cc1Cl)c1ccco1 9721218 RYABSLKNMDSCGV-UHFFFAOYSA-N 317.103 2.800 50 40 DFGB N#C/C(=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(N)=O 408875009 HJLRCZYQAURWLV-NTEUORMPSA-N 323.308 2.566 50 40 DFGB COc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1O 33039584 YCBRLOHBNRNVGR-LCYFTJDESA-N 300.358 2.757 50 40 DFGB biogenic N#C/C(=C/c1ccc(Br)c([N+](=O)[O-])c1)C(N)=S 33864405 DRBYRRRPPZFXAU-CLTKARDFSA-N 312.148 2.550 50 40 DFGB O=C(N/N=C/c1ccc(Br)o1)c1ccccc1F 5867140 MFSSVWDCLOQJSD-VIZOYTHASA-N 311.110 2.945 50 40 DFGB COc1ccc(/C(C)=N/NC(=O)Cc2ccccc2)c(OC)c1 12574596 FKHMLYQIFRASIA-CPNJWEJPSA-N 312.369 2.787 50 40 DFGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccco1 2773729 GZYWGPOVUWNHBM-OVCLIPMQSA-N 323.146 2.815 50 40 DFGB O=C(CCl)Nc1ccccc1C(=O)NCCc1ccccc1 4219143 JMKJPIXZRXUXMD-UHFFFAOYSA-N 316.788 2.836 50 40 DFGB in-vitro C/C(=N\NC(=O)c1c(C)nc2ccccn12)c1ccccc1O 101158110 HPWDNKVDCZIKAP-YBFXNURJSA-N 308.341 2.502 50 40 DFGB CCCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1 23724004 DOIHDBFYHAQHKV-JMPLCFMRSA-N 314.385 2.678 50 40 DFGB C[C@@H]1Cc2cc(/C=C(\C#N)C(=O)NCc3ccco3)ccc2O1 2226586 URYHBPYSHWQXKW-KMHUVPDISA-N 308.337 2.826 50 40 DFGB CCOC(=O)NNC(=O)CCOc1ccc(Cl)c(Cl)c1 48811281 OTAKRDKXLRVJAY-UHFFFAOYSA-N 321.160 2.540 50 40 DFGB Cc1c(C(=O)N/N=C/c2cccc(O)c2O)oc2ccccc12 8343012 YQYBBAIWGVDQQI-GIJQJNRQSA-N 310.309 2.916 50 40 DFGB O=C(N/N=C\c1ccc2c(c1)CCC2)c1ccc([N+](=O)[O-])cc1 31719630 LNVFRRHZLXXOCI-WQRHYEAKSA-N 309.325 2.847 50 40 DFGB NNC(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1 78401085 ZXZFJJABSVTWHD-UHFFFAOYSA-N 314.732 2.661 50 40 DFGB COc1cccc(/C(C)=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1 13476587 GXXMVVLZEPQPDE-GZTJUZNOSA-N 313.313 2.757 50 40 DFGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C\c1ccccc1O 54568512 OCWOBFMMVYPPKE-IPHDDYSGSA-N 318.760 2.963 50 40 DFGB COc1ccc(OC)c(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)c1 27519904 NLJBFDQRIPHXFJ-DZQJOEFFSA-N 316.401 2.980 50 40 DFGB CC1(C)C=C(CBr)c2cccc3c2N1C(=O)C3=O 72417588 VGUPYDNRPLDYQF-UHFFFAOYSA-N 306.159 2.786 50 40 DFGB CC1(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)OCCO1 267973 OVQZHPNZXKFEFI-LZYBPNLTSA-N 317.172 2.597 50 40 DFGB C/C=C1\C[N+]2(C)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1c(O)cccc14 4000045 KXHTZJQVMGTREI-UALKHGLQSA-O 323.416 2.707 50 40 DFGB CN(C)c1ccc(C(=O)OC(=O)c2ccc(N(C)C)cc2)cc1 100003003 KGUATYWLOBCNMI-UHFFFAOYSA-N 312.369 2.816 50 40 DFGB CCn1c(C)nc2cc(C(=O)N/N=C3/CCCC(=O)C3)ccc21 105816814 WREALPFXXAIWMO-UYRXBGFRSA-N 312.373 2.594 50 40 DFGB COc1ccc(-n2cccc2/C=N/NC(=O)c2cccnc2)cc1 59104645 TWKRBFRJZGNLMS-DEDYPNTBSA-N 320.352 2.645 50 40 DFGB CCOC(=O)N/N=C/c1ccc(OC(F)F)cc1OC(F)F 3319434 QXKVYRVMZVBDIR-UBKPWBPPSA-N 324.230 2.969 50 40 DFGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C\c1ccc(O)cc1 32508925 QRERZNXMAUVQGT-IPHDDYSGSA-N 318.760 2.963 50 40 DFGB NC(=O)CCCc1ccc(N(CCCl)CCCl)cc1 1604253 FLAHAPKRXNMDHA-UHFFFAOYSA-N 303.233 2.779 50 40 DFGB C[N+]1(C[C@H](Br)CBr)CCCCC1 3207434 HCDJDCWUMAQHOE-SECBINFHSA-N 300.058 2.775 50 40 DFGB Cc1nn(-c2ccccc2Cl)c(Cl)c1/C=C(\C#N)C(N)=O 3328894 XAVJVJFEANGKOY-RMKNXTFCSA-N 321.167 2.880 50 40 DFGB COc1cccc(/C=N/NC(=O)CSc2ccccc2)c1 6182410 AFICQOFXZOCMHP-GZTJUZNOSA-N 300.383 2.938 50 40 DFGB C=CCSC1=C(C#N)[C@@H](c2cccc(OC)c2)CC(=O)N1 2158248 JBLFBTHCFDQUOD-CYBMUJFWSA-N 300.383 2.953 50 40 DFGB O=C(N/N=C/C1=Cc2ccccc2OC1)c1ccc([N+](=O)[O-])cc1 5556293 RDZQCAZKTLQSAM-VCHYOVAHSA-N 323.308 2.786 50 40 DFGB C/C(CC(=O)Nc1ccc(F)cc1)=N\NC(=O)c1ccccc1 14923201 DDHPGUZPWAFMDM-UDWIEESQSA-N 313.332 2.960 50 40 DFGB N#Cc1ccc(-c2ccc(/C=N/NC(=O)c3cccnc3)o2)cc1 409022622 DBLNPSGLDDKINB-CIAFOILYSA-N 316.320 2.977 50 40 DFGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1 5827650 BTNNIGXSQQAYTR-NTCAYCPXSA-N 318.332 2.950 50 40 DFGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cccnc1 34022 FNZKIBUGNDAIGJ-LICLKQGHSA-N 318.174 2.537 50 40 DFGB O=C(CN1CCCCC1)N/N=C/c1ccc(Cl)cc1Cl 4714612 LZNFYZFHHJVRJZ-RQZCQDPDSA-N 314.216 2.929 50 40 DFGB CCCCC[C@]1(C(=O)OCC)C[C@@H](CBr)OC1=O 4980806 MMPLXLHAFDUXKL-GXFFZTMASA-N 321.211 2.827 50 40 DFGB COc1cc(O)ccc1/C=N/NC(=O)c1ccccc1Cl 61679 MQNVCHXZPGWIKN-RQZCQDPDSA-N 304.733 2.818 50 40 DFGB COc1ccc(/C=N\NC(=O)COc2cccc(Cl)c2)cc1 30802329 SRBADPCLXFGMGB-ZDLGFXPLSA-N 318.760 2.878 50 40 DFGB CC(C)C(=O)NNC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1 500022 DMWUHWSSZSUNAW-QGZVFWFLSA-N 322.408 2.796 50 40 DFGB COc1cc(/C=N/NC(=O)c2ccc(C)nc2)cc(Cl)c1O 549463 JCAMBERECMOYEF-CNHKJKLMSA-N 319.748 2.522 50 40 DFGB O=C(NNC(=O)c1cc(F)c(F)cc1Cl)c1cccs1 9255815 XWRMVTSZWXOGHB-UHFFFAOYSA-N 316.716 2.755 50 40 DFGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(OC)cc2)o1 408994511 HVHYLFXIUQXWSA-LDADJPATSA-N 315.373 2.898 50 40 DFGB N#CCc1nc(/C(C#N)=C/c2ccc(Cl)cc2)nc(N)c1C#N 5394811 IHJXFXHYJVXKDU-YRNVUSSQSA-N 320.743 2.714 50 40 DFGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1sccc1C 206030 ZWPIYTWYEAWRHJ-GFCCVEGCSA-N 304.371 2.701 50 40 DFGB COc1cc(/C=C(/C#N)c2nnc3n2CCCCC3)ccc1O 3893072 HWAIKVIKRBUGSX-LCYFTJDESA-N 310.357 2.783 50 40 DFGB CCS[C@]1(c2ccccc2)OC(N)=C(C#N)C1=C(C#N)C#N 100249688 UVXOMJOPKFJVSG-INIZCTEOSA-N 308.366 2.660 50 40 DFGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 100172140 KPAJWYDGZZITBI-KBEVBYFBSA-N 301.346 2.871 50 40 DFGB CCOc1ccccc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 96418 UGPRUSFGQZYOFT-MRXNPFEDSA-N 310.353 2.900 50 40 DFGB N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)N1CCOCC1 864558 SUZURFVRHIDWOV-YRNVUSSQSA-N 311.168 2.759 50 40 DFGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1 5006554 BSKDOEAKWVJNED-VJFVSLMESA-N 312.369 2.987 50 40 DFGB Cc1ccc(/C=N/NC(=O)COc2ccc(C)c(C)c2)c(O)c1 59189 LTKQKPMTNJEJAH-VXLYETTFSA-N 312.369 2.847 50 40 DFGB C=CCc1cccc(/C=N/NC(=O)CNc2ccc(C)cc2)c1O 58829 UKLDLRLIFNEXDF-CIAFOILYSA-N 323.396 2.991 50 40 DFGB Nc1nc(CCl)nc(Nc2ccccc2C(F)(F)F)n1 528008 KTDJKJSZUJTRGO-UHFFFAOYSA-N 303.675 2.955 50 40 DFGB Cc1cc(C(=O)N/N=C(/CCC(=O)O)c2cccs2)c(C)o1 8300943 OPDVIHJJBGKNCK-VBKFSLOCSA-N 320.370 2.957 50 40 DFGB O=C(CSCc1ccc([N+](=O)[O-])cc1)NN=C1CCCC1 20248872 GICIRJWXKKIJPM-UHFFFAOYSA-N 307.375 2.874 50 40 DFGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2O)cc1OC 13381970 ASBWKDPWQBUOJO-LCYFTJDESA-N 324.336 2.955 50 40 DFGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 4363306 KPAJWYDGZZITBI-LOGAQHJJSA-N 301.346 2.871 50 40 DFGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(F)c(F)c1 6505556 YSQQWCMLOBRXOY-OAHLLOKOSA-N 300.264 2.889 50 40 DFGB CN(C)/N=C1\C(=O)N(CCCl)c2cc(Cl)c(Cl)cc21 1559615 CHQDPAVMKMPBFG-WJDWOHSUSA-N 320.607 2.845 50 40 DFGB C=C(C)C(=O)NCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1 1873964 AZRKCYMTOFEMKT-UHFFFAOYSA-N 320.345 2.753 50 40 DFGB ClC[C@@H](Cl)COC[C@H]1CO[C@@H]([C@@H]2C[C@@H]3C=C[C@@H]2C3)O1 100940183 VUNCFBMWHARXEN-YOVYLDAJSA-N 307.217 2.803 50 40 DFGB O=S1[C@H]2CC[C@H](Br)[C@H]1CC[C@H]2Br 104208053 UUKHAQKRGSLCTN-RHWYGTMMSA-N 316.058 2.587 50 40 DFGB O=C(NNc1ccccc1[N+](=O)[O-])c1cc(-c2ccccc2)[nH]n1 12529972 NBKKPXXLMHPBQK-UHFFFAOYSA-N 323.312 2.742 50 40 DFGB N#C/C(=C\c1cnn(-c2ccccc2)n1)c1nc2cccnc2[nH]1 98056059 GRTACEOMYZBHAU-FMIVXFBMSA-N 313.324 2.603 50 40 DFGB BrC[C@H]1OCCc2cn(Cc3ccccc3)nc21 95698606 VHULEDHHYJBFPF-CYBMUJFWSA-N 307.191 2.940 50 40 DFGB in-vitro Cn1cccc1/C=N\NC(=O)Cc1cccc(C(F)(F)F)c1 409106618 OGTNOGPTNKQVJB-GRSHGNNSSA-N 309.291 2.737 50 40 DFGB COc1ccc(CC(=O)N/N=C\c2ccccc2F)cc1OC 5514256 ZHKVVRGPCSIXRK-ODLFYWEKSA-N 316.332 2.536 50 40 DFGB O=C(CCC(=O)NC1CCCCC1)N/N=C/c1ccc(F)cc1 3089267 LAYZMQHEZZKBOJ-XDHOZWIPSA-N 319.380 2.505 50 40 DFGB COc1ccc2c(Cl)c(C(=O)NNC(=O)C3CC3)sc2c1 142666 KISFVWUBBMAAAY-UHFFFAOYSA-N 324.789 2.734 50 40 DFGB CC(C)(C)OC(=O)NNC(=O)c1ccc(Br)cc1 17398458 RUXLUZXXNRQPCW-UHFFFAOYSA-N 315.167 2.619 50 40 DFGB CO/N=C/C(C#N)=C/c1cc(C(=O)c2ccc(F)cc2)cn1C 3046890 UOWRIVRFDXBFHJ-MYUONKKKSA-N 311.316 2.934 50 40 DFGB O=C1C[C@H]2C[C@@H]1[C@H]1C[C@@H](Br)[C@@H](Br)[C@H]21 5085450 QTXRCFAWQJVHFE-ZIKHVOFDSA-N 308.013 2.758 50 40 DFGB COC(=O)N[C@@H](c1ccccc1)[C@H](C)I 1712351 YTSCPHGNOGQPJV-WCBMZHEXSA-N 319.142 2.907 50 40 DFGB Cc1cc(C)cc(OCC(=O)NN=C2CCN(C(C)C)CC2)c1 54961268 NBAUHEVSDLTZOA-UHFFFAOYSA-N 317.433 2.659 50 40 DFGB CC(C)Oc1ccc(C(=O)NNc2ccccc2[N+](=O)[O-])cn1 43010165 MVQCWEIJIFJHAM-UHFFFAOYSA-N 316.317 2.534 50 40 DFGB NC(=O)N/N=C(\C(=S)Nc1ccc(F)cc1)c1ccccc1 68572214 QHAWMDWPWJRQJW-UYRXBGFRSA-N 316.361 2.638 50 40 DFGB Cc1[nH]nc(O)c1CCC(=O)N/N=C/c1ccc(C(C)C)cc1 18008536 JCPRJHRIBYKQNT-VCHYOVAHSA-N 314.389 2.630 50 40 DFGB COc1cc(OC)cc(C(=O)N/N=C(\C)c2ccc(O)cc2)c1 408710539 CSBXXJSHOGLNAH-WOJGMQOQSA-N 314.341 2.563 50 40 DFGB COc1ccc(OC)c(/C=N\NC(=O)c2ccc(F)cc2)c1 30822031 LFEUWEMPAIAWOS-ZDLGFXPLSA-N 302.305 2.607 50 40 DFGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1cccnc1 31129 ALNFTFYHMDRAMA-CIAFOILYSA-N 304.353 2.797 50 40 DFGB O=C(N/N=C/c1cccc2ccccc12)C(=O)NC1CCCCC1 5604976 VFXBPRFUDLTDQS-DEDYPNTBSA-N 323.396 2.739 50 40 DFGB C/C(CC(=O)NC1CCCCC1)=N\NC(=O)c1ccccc1C 4713785 SCZAUSOJCRIPRC-XSFVSMFZSA-N 315.417 2.940 50 40 DFGB O=[N+]([O-])c1cccc(/N=C2\NC[C@H](CBr)S2)c1 507858 BLUQFPZDFPZWAS-VIFPVBQESA-N 316.180 2.682 50 40 DFGB Cc1ccccc1-n1c(C)cc(C(=O)NNc2ncccn2)c1C 44715809 NGVLWNAGQINTJV-UHFFFAOYSA-N 321.384 2.949 50 40 DFGB C/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccc(O)cc1O 18323524 DLCOJHCQSSVAEL-RQZCQDPDSA-N 304.733 2.905 50 40 DFGB Cc1cccn2c(/C=C(\C#N)C(N)=O)c(-c3ccccc3)nc12 16742544 APDMQFIYTWZFLV-GXDHUFHOSA-N 302.337 2.702 50 40 DFGB O=C(C[C@@H]1C=CCC1)NNC(=O)C12CC3CC(CC(C3)C1)C2 12815773 LSNLBCCJYLRXPW-QLFDAEIZSA-N 302.418 2.707 50 40 DFGB O=C(N/N=C1/CCn2cccc21)c1cc(-c2ccccc2)on1 95348718 DEAZRBZIRVZGJG-AQTBWJFISA-N 306.325 2.681 50 40 DFGB NNC(=O)CCc1ccc(-c2cccc(Br)c2)o1 216923699 NOROKBSGFHADAG-UHFFFAOYSA-N 309.163 2.632 50 40 DFGB COc1ccc2c(c1)N([C@H](C(=O)NN)C(C)C)C(C)(C)C[C@H]2C 260622029 QIVXJKMOJRFGKV-WBMJQRKESA-N 319.449 2.802 50 40 DFGB C=CCc1ccccc1OCC(=O)N/N=C/c1cccc(OC)c1 218530 WUEZWGXOOSQKHG-DEDYPNTBSA-N 324.380 2.953 50 40 DFGB Cc1ccc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1 6029547 WHBFFLBVDDNKAY-LZYBPNLTSA-N 320.348 2.947 50 40 DFGB Cc1cccc(N2C(S)=C(C#N)C(=O)N[C@H]2c2ccco2)c1 352234 BXYVEJCBZKVZOP-CQSZACIVSA-N 311.366 2.888 50 40 DFGB CCOC(=O)c1ccc(NS(=O)(=O)CCCCCl)cc1 2570326 AHGHRVWLVJEKRP-UHFFFAOYSA-N 319.810 2.624 50 40 DFGB O=C(NNC(=O)c1ccccc1)N[C@@H](c1ccccc1)C1CC1 45127799 JFYWSRDRVFJQDE-INIZCTEOSA-N 309.369 2.782 50 40 DFGB CC(/C=C/c1ccccc1)=N\NC(=O)c1ccc(/C=N/O)nc1 4680592 BYUANCDPOKFMKY-GBWBLTCQSA-N 308.341 2.709 50 40 DFGB O=C(Cc1c(F)cccc1Cl)NNC(=O)c1ccccc1F 5511728 USHGIAKTQMWFOW-UHFFFAOYSA-N 324.714 2.622 50 40 DFGB N#C/C(=C/c1cc2ccccc2nc1N1CCCCC1)C(N)=O 15276551 ZGZUIDBOBPOOSF-PTNGSMBKSA-N 306.369 2.617 50 40 DFGB N#CC1=C(N)Nc2nc3ccccc3n2[C@@H]1c1ccc(F)cc1 9244686 DFYFZIWGYVYMMC-OAHLLOKOSA-N 305.316 2.884 50 40 DFGB aggregator Cc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c(C)c1C 408829677 PWQAUUZEYFISTP-SVYXSEEQSA-N 324.380 2.902 50 40 DFGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1F)c1ccc(F)cc1 1021382 RZSWNHSWZQFEOF-CAOOACKPSA-N 305.240 2.637 50 40 DFGB COc1ccc(SCC(=O)N/N=C/c2ccccc2)cc1 573140 DTHMHNFJBPNKCU-GZTJUZNOSA-N 300.383 2.938 50 40 DFGB N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)C(=O)NC(N)=O 409240138 ORSWWTPCAKPLSO-YFHOEESVSA-N 315.716 2.702 50 40 DFGB COCCOC(=O)[C@@H](C)Sc1ccc(C(=O)CCl)cc1 58018884 QVQSIFXMKJFEOA-SNVBAGLBSA-N 316.806 2.778 50 40 DFGB CNC(=O)/C(C#N)=C/c1cc(Cl)ccc1OC[C@H]1CCCO1 96433626 MCPKBJAHUGSBHD-WEKMIXOTSA-N 320.776 2.551 50 40 DFGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1ccco1 112563 CUZOIUARMRMDPO-FRKPEAEDSA-N 302.721 2.653 50 40 DFGB COc1ccc2[nH]cc(/C=N/NC(=O)c3ccccc3O)c2c1 2201950 IEIPINXLMMSENO-VXLYETTFSA-N 309.325 2.646 50 40 DFGB Cc1ccc(S(=O)(=O)CN(CCCl)CCCl)cc1 1562989 JCBBNKDYRBRSSX-UHFFFAOYSA-N 310.246 2.506 50 40 DFGB CC(C)(C)OC(=O)NNC(=O)c1csc(-c2ccccc2)n1 17398801 LUFOSDLTTNDVGA-UHFFFAOYSA-N 319.386 2.980 50 40 DFGB O=C(CCl)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 17430168 JUVOZCCEWCRLMX-HNNXBMFYSA-N 316.788 2.591 50 40 DFGB CC(C)(Br)C(=O)C(Br)Br 1587780 HEYKFXBVIXZIFB-UHFFFAOYSA-N 322.822 2.845 50 40 DFGB CCOc1cc(/C=N/NC(=O)c2ccncc2)cc(Cl)c1O 220787 JUUZBKQFNZWMHZ-GIJQJNRQSA-N 319.748 2.603 50 40 DFGB COc1ccc(NC(=O)CCC(=O)NN=C2CCCCC2)cc1 370659 CWBGCKWYKOBIAQ-UHFFFAOYSA-N 317.389 2.850 50 40 DFGB COc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)c(OC)c1 28355642 XCZIBTMTZQIFGR-MHWRWJLKSA-N 322.364 2.927 50 40 DFGB CC[C@@H](C)C(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C 28279089 TXDLLFRSTLUTQN-GFCCVEGCSA-N 313.401 2.901 50 40 DFGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccccc2OC)cc1 193794240 CWMBSHJELRJRGD-WJDWOHSUSA-N 322.364 2.927 50 40 DFGB C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(C)cc1 5003499 XOVWZDGECMPTLM-AMRJIULGSA-N 310.353 2.675 50 40 DFGB CCn1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)c(C)n1 17030694 ZSRNXCUNNCPZLV-OQLLNIDSSA-N 301.371 2.550 50 40 DFGB CCOc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1 138582552 DUXFCSSZGWHQBC-UNOMPAQXSA-N 300.333 2.917 50 40 DFGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/NC(=O)CC#N)cc21 208457046 BJNMGCDBXXPOCX-RGVLZGJSSA-N 310.401 2.991 50 40 DFGB Cc1ccccc1NCC(=O)N/N=C/c1cc(Cl)ccc1O 252319 YDNCPCAHQKQMMF-DJKKODMXSA-N 317.776 2.916 50 40 DFGB C[C@H](Oc1ccccc1)C(=O)NNC(=O)c1cccc(Cl)c1 2644648 GSQUTFGKKOINCJ-NSHDSACASA-N 318.760 2.569 50 40 DFGB CCn1c(NNC(=O)Nc2ccccc2)nc2ccccc2c1=O 9255885 UHNODQAPBLJDJN-UHFFFAOYSA-N 323.356 2.565 50 40 DFGB Cc1cc(C)nc(NNC(=O)CCC(=O)c2ccc(C)s2)n1 40487621 LHUWPVKSGLGXJU-UHFFFAOYSA-N 318.402 2.570 50 40 DFGB Cc1n[nH]c2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 32576822 BXEODNANPYHAHP-LBPRGKRZSA-N 320.274 2.955 50 40 DFGB CCN(CC1CCN(C(=O)CCl)CC1)C(=O)OC(C)(C)C 79390980 WJSXDPMNHXCFJQ-UHFFFAOYSA-N 318.845 2.721 50 40 DFGB C[C@H]1CN2C[C@H](C)O[Si](CC[Si](C)(C)C)(O1)O[C@@H](C)C2 263613445 ZHKCSBPDIVEGKQ-IHRRRGAJSA-N 317.578 2.808 50 40 DFGB N#C/C(=C\c1ccc([N+](=O)[O-])o1)C(=O)N1CCc2ccccc21 2341674 MQDAVKBBKLANBY-FMIVXFBMSA-N 309.281 2.684 50 40 DFGB COc1ccc(/C=N/NC(=O)/C=C\c2ccccc2)c(OC)c1 17024560 NGMVLAGBNCVHMY-WQXXOLMXSA-N 310.353 2.867 50 40 DFGB COc1ccc(NC(=S)NNC(=O)Nc2ccccc2)cc1 6569391 HLWFQSVIWYLTDJ-UHFFFAOYSA-N 316.386 2.718 50 40 DFGB CCCCCC1=C(C)CC/C1=N\NC(=O)CN1CCCC1=O 58679643 YGDYCJYWUAFJHG-OBGWFSINSA-N 305.422 2.772 50 40 DFGB O=C(CCNc1ccccc1)NNC(=O)c1ccc(Cl)cc1 48333190 DFEFPLRCLYJMFG-UHFFFAOYSA-N 317.776 2.603 50 40 DFGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1O 408995536 AVKSEXVYYCCEFS-GDNBJRDFSA-N 308.337 2.937 50 40 DFGB C[C@H]1CN2C[C@@H](C)O[Si](CC[Si](C)(C)C)(O1)O[C@H](C)C2 195752879 ZHKCSBPDIVEGKQ-MCIONIFRSA-N 317.578 2.808 50 40 DFGB Cc1c(/C=N/NC(=O)c2ccccc2O)c2ccccc2n1C 805159 BRSDXNAMKUFXIL-YBFXNURJSA-N 307.353 2.956 50 40 DFGB O=C(CC(=O)NN=C1CCCCCC1)NCc1ccccc1 241523 BMXZFVPNERUVRH-UHFFFAOYSA-N 301.390 2.519 50 40 DFGB CCOc1ccc(/C=C(/C#N)C(=O)N(C)C)cc1Br 59333897 IZMMUFDGIHKAIP-XFFZJAGNSA-N 323.190 2.843 50 40 DFGB COc1ccc(C(=O)N/N=C/[C@H]2C[C@@H]3CC[C@@H]2C3)cc1OC 100465172 VBNDVYMLZVJADP-SJXXBQNQSA-N 302.374 2.856 50 40 DFGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccncc1 4735264 LYCNZFPRFMSMTI-LICLKQGHSA-N 318.174 2.537 50 40 DFGB COc1ccc(/C=C/C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1 409061175 XREJYJDKXMKAHQ-VIWQMLNCSA-N 324.336 2.557 50 40 DFGB CC(C)Oc1ccc(C(=O)O)cc1NC(=O)CBr 72226452 JIEIVVMERNZZHZ-UHFFFAOYSA-N 316.151 2.505 50 40 DFGB O=C(N/N=C1/CCCc2ccccc21)c1ccc2c(c1)OCO2 102313380 CNRNZUISEHUUGL-CYVLTUHYSA-N 308.337 2.886 50 40 DFGB CCCC(CCC)=NNC(=O)C(=O)Nc1ccc(OC)cc1 59503540 WHJZVVLJBMGGPF-UHFFFAOYSA-N 305.378 2.706 50 40 DFGB COc1ccc(O)c(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@]32C)c1 100251775 GVUMEHUKXXFMQQ-GOMCXHAPSA-N 302.374 2.677 50 40 DFGB C/C(=N\NC(=O)c1cccs1)c1ccc2c(c1)OCCO2 5163963 BJNSCQBEPWQWQC-MHWRWJLKSA-N 302.355 2.673 50 40 DFGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc([N+](=O)[O-])s1 408722876 NZDYCISCLDJGCD-TUTMEKMQSA-N 307.375 2.933 50 40 DFGB NC(=O)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 3153885 NZRITTUADSAXNN-GIDUJCDVSA-N 308.681 2.510 50 40 DFGB NNC(=O)c1ccc(-c2ccc(Br)c(Cl)c2)o1 226302163 HEMXNKAUKLRORO-UHFFFAOYSA-N 315.554 2.966 50 40 DFGB Cc1ccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)cc1 74969 TXTGCHSVERZRFW-QGZVFWFLSA-N 322.412 2.572 50 40 DFGB COc1ccccc1/C=N/NC(=O)c1ccc(Br)o1 525142 VWBJYXMEEPEEGR-OVCLIPMQSA-N 323.146 2.815 50 40 DFGB O=C(NNc1ccccc1[N+](=O)[O-])c1ccc2ncsc2c1 15503535 SAIUKBFQPUHDLT-UHFFFAOYSA-N 314.326 2.961 50 40 DFGB CCOC(=O)/C(C#N)=C/c1ccc(/C=C(\C#N)C(=O)OCC)cc1 99937 TUUWXQUTXGOUAI-KAVGSWPWSA-N 324.336 2.627 50 40 DFGB C/C(=N\NC(=O)Cn1cnc2ccccc21)c1cc(C)ccc1O 7993392 MXOLMKIBFASZBJ-DEDYPNTBSA-N 322.368 2.591 50 40 DFGB COc1cccc(/C(C)=N\NC(=O)c2ccc3[nH]cnc3c2)c1 4940080 RYJHBRAQALPYDW-JAIQZWGSSA-N 308.341 2.726 50 40 DFGB Cc1occc1C(=O)NNC(=O)N[C@H](C)CCc1ccccc1 32795459 MEIRGWNHMXRTMF-GFCCVEGCSA-N 315.373 2.553 50 40 DFGB CCc1sc(C(=O)NNC(=O)c2ccc(C#N)cc2)cc1C 6788318 FZBYSGZYUJCODP-UHFFFAOYSA-N 313.382 2.565 50 40 DFGB Cc1ccc2c(c1)/C(=C(\C#N)C(=O)NC1CCCCC1)C(=O)N2 39556003 QPPPWOBNERNBQM-PEZBUJJGSA-N 309.369 2.673 50 40 DFGB NC(=O)c1ccccc1SSc1ccccc1C(N)=O 5771509 OEEHSSKRJOGQMP-UHFFFAOYSA-N 304.396 2.684 50 40 DFGB CCc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1 3009002 VLLXILLKWHWZGM-XDHOZWIPSA-N 309.369 2.646 50 40 DFGB Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccc(O)cc1)OCO2 6501349 UYMBWFVLQPXZEP-QPEQYQDCSA-N 322.320 2.975 50 40 DFGB O=C(/C=C/c1cccc(Cl)c1)NNC(=O)c1ccccc1F 7987048 CUMATSXIHOUZIV-CMDGGOBGSA-N 318.735 2.954 50 40 DFGB C[C@H]1CCc2sc(C(=O)NNC(=O)C[C@@H]3C=CCC3)cc2C1 8023144 OQRDLGYUNOLYRK-NWDGAFQWSA-N 318.442 2.990 50 40 DFGB C/C(=N/NC(=O)c1ccco1)c1ccc(NC(=O)C2CC2)cc1 5381342 RYUDCGUBCHWPDG-ODLFYWEKSA-N 311.341 2.782 50 40 DFGB Cc1cc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 9014042 UZQKWEMLNDQRBU-ZDUSSCGKSA-N 313.744 2.555 50 40 DFGB Cc1ccc(CC(=O)N/N=C\c2ccccc2OCC#N)cc1 409358754 GHJZYMSYSINUEV-MOSHPQCFSA-N 307.353 2.590 50 40 DFGB N#C/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCCC1 3362814 AGLVTNOIWMWMHZ-YRNVUSSQSA-N 305.721 2.778 50 40 DFGB COc1ccccc1C(=O)N/N=C/c1cn(C)c2ccccc12 5898648 DTBVXBRJPPOENT-YBFXNURJSA-N 307.353 2.951 50 40 DFGB CC[C@H](C)C(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C 28279092 TXDLLFRSTLUTQN-LBPRGKRZSA-N 313.401 2.901 50 40 DFGB Cc1ccc(C(=O)N/N=C\c2cc3c(cc2Cl)OCO3)cn1 30802933 KGDOYBCRPJDLAP-WSVATBPTSA-N 317.732 2.536 50 40 DFGB CS/C(Br)=C(\C#N)C(=O)NCc1ccccc1 16248574 PBVXHSDPLWWNTD-ZHACJKMWSA-N 311.204 2.796 50 40 DFGB CC(C)(C)C(=O)/C(C#N)=C\N1CCN(Cc2ccccc2)CC1 33363684 QVSZXINZAJNEIP-ICFOKQHNSA-N 311.429 2.827 50 40 DFGB Cc1ccc(OCC(=O)NNc2ccc([N+](=O)[O-])cc2)cc1C 4695716 HRUIMTXKUYGUNQ-UHFFFAOYSA-N 315.329 2.734 50 40 DFGB COCCCNC(=O)/C(C#N)=C/c1c(C)n(C)c2ccccc12 408863798 QBSAMEZMJWTZTM-SDNWHVSQSA-N 311.385 2.546 50 40 DFGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc2ccccc2n1 3131605 NJCDTTOUICSKSL-WOJGMQOQSA-N 320.308 2.907 50 40 DFGB CC[C@H](Oc1ccc(C)cc1)C(=O)NNC(=O)c1cccs1 12137426 ALNWPZNUCSEVHE-ZDUSSCGKSA-N 318.398 2.675 50 40 DFGB Cc1ccc(NCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1C 59720907 JTPHHJOCOMQKJN-CIAFOILYSA-N 324.428 2.932 50 40 DFGB CSc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1 16437435 NVEVNJFBHPHIKI-KADHNRKRSA-N 302.399 2.611 50 40 DFGB N#C/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)NCCc1ccccc1 40889419 OGQYWTCFKTYBPU-WJDWOHSUSA-N 321.336 2.861 50 40 DFGB O=C(N[C@H](C(=O)O)c1ccccc1)[C@@H](Cl)c1ccccc1 1707433 VXCLLZXKVBNTBR-KBPBESRZSA-N 303.745 2.909 50 40 DFGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccco2)c(O)c1 381425 ZOHSDJUPFBCELP-GZTJUZNOSA-N 301.346 2.595 50 40 DFGB Cc1cnn(CC(=O)NN(Cc2ccccc2)c2ccccc2)c1 54855760 MEMNGHSRRKJXQM-UHFFFAOYSA-N 320.396 2.930 50 40 DFGB Cc1ccc(S[C@H](C)C(=O)NN=C2CCN(C)CC2)cc1 409143141 ZGCFZYFTSFNGTB-CYBMUJFWSA-N 305.447 2.673 50 40 DFGB CCOc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1 252792 QRDMVMCRYWGMHK-GZTJUZNOSA-N 313.313 2.757 50 40 DFGB COc1cc(OC)nc([C@@H](Br)c2ccccc2)n1 16123821 KHWJOMJFFYWQOV-LBPRGKRZSA-N 309.163 2.978 50 40 DFGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1c[nH]c2ccccc12 61869796 ADBBSOYEJZICJG-QGMBQPNBSA-N 324.296 2.546 50 40 DFGB CC(C)N(Cc1ccc(Br)nc1)C(=O)CCl 79421646 PFMCJKMXANUGKV-UHFFFAOYSA-N 305.603 2.820 50 40 DFGB CC(C)(C)NC(=S)NNC(=O)Cc1cccc2ccccc12 8301615 YKHBRYMPJSRYKR-UHFFFAOYSA-N 315.442 2.676 50 40 DFGB CC(=O)NNC(=O)c1cc2cc(Oc3ccccc3)ccc2[nH]1 4691189 VRWSLIJTYYDOLH-UHFFFAOYSA-N 309.325 2.741 50 40 DFGB COc1ccc(CC(=O)N/N=C/c2sccc2C)cc1OC 4735430 SPXDUOSJSXJBCH-LICLKQGHSA-N 318.398 2.767 50 40 DFGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc[nH]1 4889240 ZMIAMADGCOUQBT-REZTVBANSA-N 312.156 2.851 50 40 DFGB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N/N=C/c1ccccc1 33737958 RFMZNTRPHGLEQN-UOBPLZBXSA-N 323.396 2.591 50 40 DFGB Nc1cccc([C@H](Br)[C@H](Br)C(=O)O)c1 97950073 YWKGMSUIJCYVNW-YUMQZZPRSA-N 322.984 2.553 50 40 DFGB CCC(CC)=NNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 5416794 AVBZGKISOZTKDV-UHFFFAOYSA-N 315.295 2.936 50 40 DFGB NNC(=O)c1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 380920 MPGCKMDCDPLYOX-UHFFFAOYSA-N 323.396 2.741 50 40 DFGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1c[nH]c2ccccc12 105845292 BNPUYFLOQDEWLW-ODLFYWEKSA-N 322.324 2.769 50 40 DFGB Cc1c(Cl)cccc1NC(=S)NNC(=O)c1ccncc1 1405694 NCDGRDHSTIKECC-UHFFFAOYSA-N 320.805 2.675 50 40 DFGB CCCCc1ccc(Nc2nc(CC(=O)NN)cs2)cc1 223451961 XGKHVZQCQODLSJ-UHFFFAOYSA-N 304.419 2.762 50 40 DFGB Cc1ccc(NCC(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1 437595 NLFUPTNDMVSRBS-LZYBPNLTSA-N 318.358 2.527 50 40 DFGB C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc2c(c1)OCO2 100217810 XHFPXMRXVKQFDV-OEKXYEKLSA-N 300.358 2.692 50 40 DFGB CCOC(=O)NNC(=O)c1sccc1-n1c(C)ccc1C 54146976 XAXCXFMYBKVEEX-UHFFFAOYSA-N 307.375 2.547 50 40 DFGB C/C(=N\NC(=O)c1ccccc1O)c1cc([N+](=O)[O-])cs1 71416605 WAUYQNZIUQXYPW-RIYZIHGNSA-N 305.315 2.516 50 40 DFGB C[C@@H](Cl)C(=O)Nc1cc(N2CCOCC2)ccc1Cl 34776783 XVLMEWDXLMSTQD-SECBINFHSA-N 303.189 2.742 50 40 DFGB Cc1ccc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)o1 6034126 XQZZNOVYPAJZQT-NTUHNPAUSA-N 310.309 2.540 50 40 DFGB COc1ccccc1C(=O)N/N=C/C=C/c1ccc2c(c1)OCO2 4544152 ALUKKTDRYBXYPV-PXMWPNLLSA-N 324.336 2.853 50 40 DFGB CCOC(=O)/C(C#N)=C/Nc1sc(C)c(C)c1C(=O)OCC 6881679 SNLOZRMSLKSPIZ-DHZHZOJOSA-N 322.386 2.924 50 40 DFGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CC(C)C 408994783 JAQWLKVOGYRIJB-GZTJUZNOSA-N 320.393 2.937 50 40 DFGB CCn1cccc1/C=N\NC(=O)COc1cccc2cccnc12 409016147 CZRPBYDYEDIVKU-NDENLUEZSA-N 322.368 2.585 50 40 DFGB O=C(N/N=C/c1cccc(Br)c1)c1cccnc1 227595 YYRXIUPWQFLNDB-LZYBPNLTSA-N 304.147 2.608 50 40 DFGB COc1ccc(C(=O)N/N=C/c2ccc(C)s2)cc1OC 3576476 ZHRYZFBDAVBCMO-CXUHLZMHSA-N 304.371 2.838 50 40 DFGB COC[C@H](C)Oc1ccc2nc(NC(=O)CCl)sc2c1 20131854 PSDVDZUDURFBFR-QMMMGPOBSA-N 314.794 2.887 50 40 DFGB COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)ccc1O 100298775 QXRPAXQHBHNUDQ-VEVARVDZSA-N 302.374 2.677 50 40 DFGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cccc2cc[nH]c12 243414 HOCVLMLSRSMKIY-VCHYOVAHSA-N 308.297 2.840 50 40 DFGB Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1cccc(O)c1 345434 NKLNEOSGJHSVBL-GIJQJNRQSA-N 318.760 2.883 50 40 DFGB C[C@H](NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])o1)c1ccccc1 2768313 YKAPTNHJXOXVNR-GJSJWPQCSA-N 311.297 2.972 50 40 DFGB CCOc1ccc(O)c(/C=N/NC(=O)c2ccc(F)cc2)c1 8812499 HYADVBZYAFBJGH-VCHYOVAHSA-N 302.305 2.694 50 40 DFGB Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2ccc(F)cc2)c1 59101759 ICZBUYWQVFGDIK-VXLYETTFSA-N 313.332 2.531 50 40 DFGB N#C/C(=C/c1ccco1)C(=O)NCCc1ccc(F)cc1F 69788641 PAVAAGFWWRWSNP-WQLSENKSSA-N 302.280 2.824 50 40 DFGB COc1cc(C)c(/C=N\NC(=O)c2cccs2)cc1OC 408549443 SWOUXQUUTNBXSQ-SXGWCWSVSA-N 304.371 2.838 50 40 DFGB COc1ccc(/C=C(\C#N)C(=O)c2ccc3c(c2)OCO3)cc1O 44028763 YWHWBDMAWQIGOR-AWNIVKPZSA-N 323.304 2.919 50 40 DFGB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H](C)Cl)CC1 13609394 HCIKOOJXUXHGQG-NSHDSACASA-N 301.217 2.924 50 40 DFGB O=C1C=C(NNC(=O)c2ccccc2)C[C@H](c2ccccc2)C1 1091153 IGUWGOACNHQENL-INIZCTEOSA-N 306.365 2.952 50 40 DFGB O=C1OC(=O)[C@@H]2[C@@H]1C1c3ccccc3C2(Cl)c2ccccc21 101959030 ZNVBZVTWIYFOBA-DIODGJHASA-N 310.736 2.944 50 40 DFGB N#CC1=C(N)OC2=C(C(=O)O[C@H]3C=CC=C[C@H]23)[C@@H]1[C@@H]1C=CCCC1 4955078 YJVGQMXEPONXHH-PAPYEOQZSA-N 322.364 2.605 50 40 DFGB CC[C@H](Oc1ccccc1)C(=O)NNC(=O)c1ccc(C)cc1 6540501 XRANAYBIQGYLNM-INIZCTEOSA-N 312.369 2.614 50 40 DFGB C[C@@H](Cl)C(=O)NCCC(=O)Nc1cccc2ccccc12 8733115 JIQNTWOLRKNFIC-LLVKDONJSA-N 304.777 2.912 50 40 DFGB Cn1ccc(C(=O)NN(c2ccccc2)c2ccccc2)cc1=O 28994067 WDZLDGCJKLKMLJ-UHFFFAOYSA-N 319.364 2.868 50 40 DFGB Cc1cc(C(=O)NNC(=O)c2ccc(OC(C)C)cc2)c(C)o1 6436533 NKYLQLFWPOZIKR-UHFFFAOYSA-N 316.357 2.758 50 40 DFGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2cccc(O)c2)c1 8408593 VKUOZOCWEVLZEA-YBFXNURJSA-N 311.341 2.505 50 40 DFGB CC1(C)CC(=O)C=C(NNC(=O)CSCc2ccccc2)C1 409354814 AMUYWTXLCCTNII-UHFFFAOYSA-N 318.442 2.814 50 40 DFGB O=C(COc1cc(Cl)ccc1Cl)N/N=C/c1ccncc1 28468 XLKMSFWXERHNMB-QGMBQPNBSA-N 324.167 2.918 50 40 DFGB N#C/C(=C/c1ccc(C(F)(F)F)cc1)C(=O)NC[C@H]1CCCO1 13471329 GCEHAGRESJNFQR-ICDLMJIXSA-N 324.302 2.908 50 40 DFGB C/C(=N/NC(=O)CCc1ccccc1)c1ccc2c(c1)OCO2 5826757 VSTBRTDVDUNRCD-UYRXBGFRSA-N 310.353 2.888 50 40 DFGB IC[C@H]1CCN(Cc2ccccc2)C1 79436730 CCPNKEFRWXUSGF-GFCCVEGCSA-N 301.171 2.944 50 40 DFGB N#CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1 195380270 KNAJIOGYKJZSHB-ATVHPVEESA-N 317.348 2.812 50 40 DFGB COc1ccc(/C=N/NC(=O)c2c[nH]c3ccccc23)cc1O 271706 RCQQEQDWMVOJJH-DJKKODMXSA-N 309.325 2.646 50 40 DFGB O=C(CSCCc1ccccc1)N/N=C/c1ccccc1O 408724821 BGZAZROUFBXFMO-LDADJPATSA-N 314.410 2.818 50 40 DFGB C/C(=N\NC(=O)Cc1ccc2c(c1)OCCO2)c1ccc(C)cc1 409365169 QEOKJDSSYIDMHS-XSFVSMFZSA-N 324.380 2.849 50 40 DFGB CCCCC[C@H]1[C@H](CC(=O)N/N=C/c2cccnc2)CC[C@H]1O 253616881 DHFFALMXWOZKCL-KJNBVAKRSA-N 317.433 2.889 50 40 DFGB C#CCn1cc(/C=N/NC(=O)c2ccc(C)o2)c2ccccc21 583092 QMCUAONKTUXXNP-YBFXNURJSA-N 305.337 2.940 50 40 DFGB CCOc1ccc(/C=N/NC(=O)c2ccncc2)c(OCC)c1 3149257 JYFZKDTVVFURPH-XDHOZWIPSA-N 313.357 2.643 50 40 DFGB COCCCNC(=O)/C(C#N)=C/c1cccc(Br)c1 2632711 OGLQLFYAIOEBFB-XYOKQWHBSA-N 323.190 2.509 50 40 DFGB CCC1=C(C(=O)OC)[C@@H](c2ccc(F)cc2F)C(C#N)=C(N)O1 4784045 DVIWLTMXYXTSAC-ZDUSSCGKSA-N 320.295 2.610 50 40 DFGB COc1ccccc1/C=N/NC(=O)COc1ccc(C)c(C)c1 8182773 RVXBNVDYLUXEGF-YBFXNURJSA-N 312.369 2.841 50 40 DFGB COc1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2)cc1 580534 GSMCMHCOGUQFAJ-VCHYOVAHSA-N 318.760 2.878 50 40 DFGB CN(C)c1ccc(/C=N\NC(=O)c2ccccc2N)c(Cl)c1 12340198 RMEMMJBAXHHASO-GRSHGNNSSA-N 316.792 2.752 50 40 DFGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1c1ccccc1 352362 CHAMAPUBXFIHQO-WCOBSMKMSA-N 309.325 2.849 50 40 DFGB C/C(CC(=O)Nc1cc(C)cc(C)c1)=N\NC(=O)c1ccccn1 4306265 KFJAUTYBWLLJMX-KGENOOAVSA-N 324.384 2.833 50 40 DFGB CCOc1cc(/C=N/NC(N)=O)ccc1OCc1ccccc1 2801464 ZSSSKQZDUZOEBQ-YBFXNURJSA-N 313.357 2.667 50 40 DFGB CC(C)[C@H]1CC[C@@H](C)C/C1=N\NC(=O)CN1CCCCCC1=O 84689041 KCXPNPFULGWWTA-MLOFKKRKSA-N 321.465 2.953 50 40 DFGB O=C(CCl)N1CCC[C@H](N(Cc2ccccc2)C2CC2)C1 79415094 FMUIWDOJFAWWHV-INIZCTEOSA-N 306.837 2.881 50 40 DFGB CC(C)C(O)(C(=O)NNc1ccc2ccccc2n1)C(C)C 1405598 ZMLZPTIHBARQIV-UHFFFAOYSA-N 301.390 2.721 50 40 DFGB CC(=O)Nc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1 3265882 GLTUZNSBTJRKMI-GZTJUZNOSA-N 319.364 2.868 50 40 DFGB CSc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1 4694148 VXMLRQAUUHMLFS-QAEAHILHSA-N 300.383 2.592 50 40 DFGB C/C(=N/NC(=O)c1ccncc1)c1ccc(Br)cc1 17323313 BFDLOGIJGRMNJY-YVLHZVERSA-N 318.174 2.998 50 40 DFGB N#CCn1cc(/C=N/NC(=O)c2ccc(O)cc2)c2ccccc21 107995334 RTPFCZREFYOKOY-RGVLZGJSSA-N 318.336 2.634 50 40 DFGB Cc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1ccccc1 409073370 MNKYHCNDSZGGNP-XSFVSMFZSA-N 323.396 2.596 50 40 DFGB O=C(NNC(=O)c1cc2c(s1)CCCC2)c1ccccc1 3452438 DEJBLRQKDNTSTB-UHFFFAOYSA-N 300.383 2.702 50 40 DFGB aggregator O=C(N/N=C1\CCSc2ccc(F)cc21)c1cccnc1 5163166 XAVDSVVCKLRCEM-QGOAFFKASA-N 301.346 2.851 50 40 DFGB O=C1[C@@H](Br)CCN1c1cccc(Br)c1 82606348 YHPLZPNTZCHOSS-VIFPVBQESA-N 318.996 2.949 50 40 DFGB in-vitro N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CCl)CCCC2 32627576 NRUFLRSCJADFRI-NSHDSACASA-N 321.808 2.595 50 40 DFGB NNC(=O)c1cn(C(=O)c2ccccc2Cl)c2ccccc12 216952977 OQWUXVQCAOFIEA-UHFFFAOYSA-N 313.744 2.587 50 40 DFGB COc1ccc2c3c1O[C@@H]1[C@@H](Cl)C=C[C@@H]4[C@@H](C2)N(C)CC[C@]314 253504155 CVLHOXTTXWEUCL-YXCOWNBQSA-N 317.816 2.748 50 40 DFGB biogenic,in-vitro O=C(CSc1ccccn1)N/N=C/c1c[nH]c2ccccc12 32983 WRPVVNKSRHKIEP-VXLYETTFSA-N 310.382 2.805 50 40 DFGB ClC(Cl)c1nn2c(CN3CCCCC3)nnc2s1 101663772 SRHWTKDPFQKXTD-UHFFFAOYSA-N 306.222 2.648 50 40 DFGB CCc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)cc1 59391839 ZGSUXTCGRAPSGI-UDWIEESQSA-N 323.396 2.955 50 40 DFGB CCCOc1ccc(/C=N/NC(=O)c2ccccn2)cc1OC 2759088 CHDPOHRVUIJHPJ-XDHOZWIPSA-N 313.357 2.643 50 40 DFGB CCOc1ccccc1OCC(=O)N/N=C/c1cccs1 3068685 ZNWWSVKECSQSHP-MHWRWJLKSA-N 304.371 2.676 50 40 DFGB CCOC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1Cl 3471424 QCFMIGJKJVQELK-CXUHLZMHSA-N 306.753 2.914 50 40 DFGB CNC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)cc2C)o1 4544541 XOVJZNFEWGVNGC-XYOKQWHBSA-N 310.309 2.606 50 40 DFGB O=C(NNC(=O)c1c(F)cccc1Cl)c1ccc(F)cc1 6646521 ZFDXXSLKZDTNQA-UHFFFAOYSA-N 310.687 2.693 50 40 DFGB Cc1ccc(-c2ccc(CCC(=O)NN)o2)c(Br)c1 216924358 VNUAWIAOUHDGCN-UHFFFAOYSA-N 323.190 2.940 50 40 DFGB O=C(NN=Cc1cccc([N+](=O)[O-])c1)c1c[nH]c2ccccc12 13113599 JXESNBIABDNWPC-UHFFFAOYSA-N 308.297 2.840 50 40 DFGB COc1ccc(NC2=NC[C@H](CBr)S2)cc1 374457 NIJQQAVIUXAGIY-JTQLQIEISA-N 301.209 2.973 50 40 DFGB C/C(N)=C(/C#N)C(=O)COC(=O)/C=C/c1ccc(C(C)C)cc1 21763292 SZVCIJQTQRIVRM-WFCWMHMYSA-N 312.369 2.692 50 40 DFGB CCC1=C(C(=O)OC)[C@@H](c2ccc(F)c(F)c2)C(C#N)=C(N)O1 12419061 ROFAGNPRXSBSBT-ZDUSSCGKSA-N 320.295 2.610 50 40 DFGB Cn1ccc(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)n1 6219446 QQPSJUAOUGILIV-CPNJWEJPSA-N 320.352 2.976 50 40 DFGB O=C(CCBr)NC(=O)OC/C=C/c1ccccc1 1638410 ZSBXOUAABHHVRT-QPJJXVBHSA-N 312.163 2.738 50 40 DFGB C[C@H](NC(=O)C(=O)NN=C1CCCCCC1)c1ccccc1 4832419 MFDDKPXRWWRPTI-ZDUSSCGKSA-N 301.390 2.690 50 40 DFGB COc1ccc(C(=O)NNC(=O)c2ccc3ccccc3c2)cc1 290034 SHMSXBAHVASUIV-UHFFFAOYSA-N 320.348 2.923 50 40 DFGB CCC1(CC)[C@@H](OC)NC(Br)=C(C#N)C1(C#N)C#N 22145740 GLBKASGTJINECH-LLVKDONJSA-N 323.194 2.532 50 40 DFGB N#CC1=C(N)OC2=C(CCC[C@@H]2O)[C@H]1c1cccc(Cl)c1 125775 SUNPSVNZDLHGJS-UONOGXRCSA-N 302.761 2.947 50 40 DFGB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1NC(=O)CCl 408974675 GMQQIVWYFIHYKV-UHFFFAOYSA-N 308.725 2.575 50 40 DFGB CN(C)c1ccc(/C=C(/C#N)C(N)=S)cc1Br 408541881 FILKTMQXGIEYMV-UITAMQMPSA-N 310.220 2.708 50 40 DFGB CCOc1cc(/C=N/NC(=O)c2cccnc2)cc(Cl)c1O 59083 WNKUSDPAELVSED-QGMBQPNBSA-N 319.748 2.603 50 40 DFGB CN(NC1=C(C#N)CN(C2CCCCC2)C1=O)c1ccccc1 44509 IMSDFLMHBIBWFM-UHFFFAOYSA-N 310.401 2.580 50 40 DFGB COc1ccc(O)c(/C=N/NC(=O)Cc2c[nH]c3ccccc23)c1 349276 WFZDVDNMICXIGQ-RGVLZGJSSA-N 323.352 2.575 50 40 DFGB BrC[C@H]1Cn2c(Cc3ccccc3)nnc2S1 502556 SBGHRZJDRZKUEL-JTQLQIEISA-N 310.220 2.738 50 40 DFGB C/C(=N\NC(=O)[C@@H](O)c1ccccc1)c1ccc(Cl)s1 5381620 WDSNZUMTSLDKRM-WFSQQTBHSA-N 308.790 2.975 50 40 DFGB Cc1ccc(S(=O)(=O)N2CCSSCC2)c(F)c1 95454402 LAWBGFDJHYFJPU-UHFFFAOYSA-N 307.437 2.520 50 40 DFGB CC(=NNC(=O)Cn1nccc1C)c1ccc2ccccc2c1 254828458 NWCPFLPWFCVFJM-UHFFFAOYSA-N 306.369 2.885 50 40 DFGB O=C(N/N=C1/CCCc2ccccc21)c1cc(C(F)(F)F)n[nH]1 101648008 PVHOXBANGCINHL-ODLFYWEKSA-N 322.290 2.899 50 40 DFGB COc1ccccc1NC(=O)/C(C#N)=C/c1c(C)nn(C)c1C 2744159 PMUPJTSXWSRDNS-UKTHLTGXSA-N 310.357 2.591 50 40 DFGB O=C(CC(=O)NN=C1CCCCCCC1)NCc1ccccc1 59444851 GKBSAXSSOBYIKI-UHFFFAOYSA-N 315.417 2.909 50 40 DFGB CCOc1ccc(/C(C)=N/NC(=O)CNC2CCCCC2)cc1 409384776 FJADQCVHKIXOPS-XSFVSMFZSA-N 317.433 2.848 50 40 DFGB C[C@@H](Cl)C(=O)Nc1ccccc1C(=O)NCc1ccco1 39946626 PXJNTWFBOUAIBE-SNVBAGLBSA-N 306.749 2.775 50 40 DFGB in-vitro O=C(/C=C/c1ccc(F)cc1)NNC(=O)CCc1ccccc1 6338717 NDTULJOORNLWMA-UKTHLTGXSA-N 312.344 2.619 50 40 DFGB CC(C)c1ccc2c(c1)/C(=N\NC(=O)OC(C)(C)C)C(=O)N2 6459503 FFBZLAYDGQELLD-UHFFFAOYSA-N 303.362 2.991 50 40 DFGB Cc1noc(C)c1C(=O)NNc1c(F)c(F)c(F)c(F)c1F 8941033 MCDPLFVLAGGBTN-UHFFFAOYSA-N 321.205 2.744 50 40 DFGB C[C@H](OC(=O)/C(C#N)=C\c1ccco1)C(=O)N(C)c1ccccc1 96508112 OTFOBRYLCNEKLD-UROBUVALSA-N 324.336 2.781 50 40 DFGB Cc1ccc(O)c(/C=N/NC(=O)CNc2ccc(Cl)cc2)c1 409364054 MYDJOITZUAKTSC-DJKKODMXSA-N 317.776 2.916 50 40 DFGB COc1ccc(/C=N\NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 32511868 TYYPDKUMNWGUSF-VCRXTVNUSA-N 312.369 2.921 50 40 DFGB N#C/C(=C\c1ccc(O)c(Cl)c1)C(=O)NCc1ccco1 563952 DWMBDOAIXZVAOH-IZZDOVSWSA-N 302.717 2.862 50 40 DFGB C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(O)c(O)c1 62787719 UGMWCWVDEWGSFI-RBXCXTNXSA-N 310.353 2.742 50 40 DFGB COc1cccc(/C=N/NC(=O)CN2CCCc3ccccc32)c1 8124774 WHHKTVKLCRBSNM-DEDYPNTBSA-N 323.396 2.598 50 40 DFGB O=C(N/N=C/C=C/c1ccco1)c1nn(-c2ccccc2)cc1O 63371394 BYDYDPSCRNRGQZ-HGBXGJOCSA-N 322.324 2.600 50 40 DFGB O=C(N/N=C\c1ccc2c(c1)CCC2)c1cccc([N+](=O)[O-])c1 31719628 FJOQKXDOENNPPP-WQRHYEAKSA-N 309.325 2.847 50 40 DFGB COc1cc(/C=C(/C#N)C(=O)C(C)C)c([N+](=O)[O-])cc1OC 40549597 RKBARLFONSJGRM-WZUFQYTHSA-N 304.302 2.744 50 40 DFGB C[C@H](NC(=O)c1ccccc1)C(=O)N/N=C/C=C/c1ccccc1 4405337 FSJOQDNFMZRIBD-DBQKQCTBSA-N 321.380 2.620 50 40 DFGB C/C(CC(=O)Nc1cc(C)ccn1)=N\NC(=O)c1ccccc1C 4697902 LGHRBSJCBKRSSJ-KGENOOAVSA-N 324.384 2.833 50 40 DFGB Cc1ccc(CC(=O)N/N=C\c2ccc3c(c2)OCO3)c(C)c1 216047257 HSXUGJIOKOYRDW-GRSHGNNSSA-N 310.353 2.725 50 40 DFGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCO3)cc1 140245 YUTVJDXNPGWLNH-MDWZMJQESA-N 322.320 2.970 50 40 DFGB C=CCc1cc(/C=N/NC(=O)c2ccco2)cc(OCC)c1O 573127 RNJANTIVOILDJE-WOJGMQOQSA-N 314.341 2.876 50 40 DFGB Cc1occc1C(=O)NNC(=O)N1CCC[C@H]1c1cccs1 53957855 NQADYVSPIVZQQS-LBPRGKRZSA-N 319.386 2.841 50 40 DFGB O=C(N/N=C/c1ccc(N2CCCCC2)cc1)c1ccncc1 1405867 KZSJNJVZUOWOLX-XSFVSMFZSA-N 308.385 2.836 50 40 DFGB COc1cc(SC)ccc1C(=O)NNC(=O)c1cccs1 6507845 ASYXAUOHJLCVLQ-UHFFFAOYSA-N 322.411 2.553 50 40 DFGB O=C(N/N=C\c1ccc(Br)o1)c1ccccc1O 33368763 SSWDWPWUCVZCAP-AUWJEWJLSA-N 309.119 2.512 50 40 DFGB CC(C)(C)OC(=O)N(C[C@H]1CCCN1C(=O)CCl)C1CC1 79408920 FYAOKCBVHYMHQY-GFCCVEGCSA-N 316.829 2.616 50 40 DFGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])[C@H]1C[C@@H]1c1ccccc1 1020611 CHAMAPUBXFIHQO-PKMXSDERSA-N 309.325 2.849 50 40 DFGB C/C(CC(=O)Nc1cc(C)ccc1C)=N\NC(=O)c1ccncc1 5809959 SICJKIQCDFCVSD-KGENOOAVSA-N 324.384 2.833 50 40 DFGB N#CC1=C(N)Oc2ccc3ccc(=O)oc3c2[C@H]1c1ccco1 5945245 XVFYWCSXHRZUHX-CQSZACIVSA-N 306.277 2.604 50 40 DFGB CCCc1c(C=C(C#N)C#N)c(OC)c2c(c1OC)OCO2 15084718 KQEAHDJGHFUQRZ-UHFFFAOYSA-N 300.314 2.816 50 40 DFGB COCc1c(CN(CCCl)CCCl)cnc(C)c1O 1700026 XOVAUDVMWXIEFJ-UHFFFAOYSA-N 307.221 2.522 50 40 DFGB CCOC(=O)C1=C(C)NC(N)=C(C#N)[C@H]1c1ccc(C)cc1C 5607597 SRFUHTHDDHWTJR-MRXNPFEDSA-N 311.385 2.521 50 40 DFGB O=C(O)[C@@H](Br)Cc1cccc(Br)c1 225012263 FVLBFFJQQUIVKN-QMMMGPOBSA-N 307.969 2.840 50 40 DFGB O=C(N/N=C/c1ccco1)C1(O)c2ccccc2-c2ccccc21 341524 ZUUWUFTYGYTLAT-UDWIEESQSA-N 318.332 2.646 50 40 DFGB NNC(=O)CCc1ccc(OCc2ccccc2Cl)cc1 226345195 PGPYDEWNHWLJTD-UHFFFAOYSA-N 304.777 2.842 50 40 DFGB Cc1c(C(=O)N/N=C/c2ccc(F)cc2)cccc1[N+](=O)[O-] 59447276 YXVMHDDPTWFPHA-RQZCQDPDSA-N 301.277 2.806 50 40 DFGB C/C(=N\NC(=O)[C@@H]1[C@@H]2CCCC[C@]21C)c1ccc(O)cc1O 107902556 UWZUWLWVQGMCKJ-PBJSLJLMSA-N 302.374 2.764 50 40 DFGB CCOC(=O)NNC(=S)Nc1cccc(C(F)(F)F)c1 5830311 OZVSHIFSHSPONS-UHFFFAOYSA-N 307.297 2.653 50 40 DFGB CCOC(=O)c1c(C)[nH]c(C(=O)N/N=C/c2ccccc2)c1C 568515 QJWDLKSFKVADCR-VCHYOVAHSA-N 313.357 2.572 50 40 DFGB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Cl)cc2)C1 4137141 VYXFZARMKJQGET-GHMZBOCLSA-N 315.822 2.732 50 40 DFGB CCCC(CCC)=NNC(=O)CC(=O)NCc1ccccc1 59444848 HRSMUOLGWOCYKF-UHFFFAOYSA-N 303.406 2.765 50 40 DFGB COc1cc(/C=C(\C#N)C(N)=O)ccc1OCc1cccc(C)c1 59133200 BJAQZSSQPVGOEH-CXUHLZMHSA-N 322.364 2.975 50 40 DFGB C#CCOc1ccc(/C=N/NC(=O)c2cccs2)cc1OC 59197817 TUVSLSXIFQJVIE-GZTJUZNOSA-N 314.366 2.533 50 40 DFGB C/C(CCc1ccccc1)=N/NC(=O)C(=O)Nc1ccccc1 59515713 OAIVTPFEAVOZRF-ZHZULCJRSA-N 309.369 2.750 50 40 DFGB Cc1ccccc1C(=O)N/N=C/c1coc2ccccc2c1=O 20418389 PESOMRVMFXQIJE-VXLYETTFSA-N 306.321 2.865 50 40 DFGB Cc1ccc(CC(=O)NNC2=CC(=O)C[C@@H](c3ccco3)C2)cc1 4672923 UMACIZGWKSGHBN-HNNXBMFYSA-N 324.380 2.782 50 40 DFGB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NNC(=O)Cc2ccccc2)o1 16229345 XQZRPEIXIZPHTH-PMENNHOYSA-N 324.380 2.806 50 40 DFGB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C(/C#N)C(=O)N(C)C)o1 408852152 CPGGUUAYJMFUKY-JYRVWZFOSA-N 324.336 2.948 50 40 DFGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(Cl)cc1 34836175 RZJJREZJXRALIR-YVLHZVERSA-N 317.732 2.941 50 40 DFGB COc1ccc(C(=O)NNC(=O)N[C@@H](C)CCCC(C)C)cc1 40071906 YIJOKZXMFIDRAS-ZDUSSCGKSA-N 321.421 2.854 50 40 DFGB COc1ccc(/C=N/NC(=O)c2ccc(Br)o2)cc1 368576 QNMCBBLPEJWEFS-OVCLIPMQSA-N 323.146 2.815 50 40 DFGB CC(/C=C/c1ccc2c(c1)OCO2)=N/NC(=O)c1ccc(C)nc1 12467134 KDCZPCPSVXFKLT-XQCAAJAASA-N 323.352 2.938 50 40 DFGB O=C(Cn1cccn1)NNc1c(Cl)cc(Cl)cc1Cl 58368333 PKEONKWMIFARAN-UHFFFAOYSA-N 319.579 2.987 50 40 DFGB C/C(CC(=O)Nc1cccc(C)n1)=N\NC(=O)OC(C)(C)C 4123824 KIRUIMXJUHLMMG-WOJGMQOQSA-N 306.366 2.619 50 40 DFGB COc1ccc(C(=O)NN)cc1COc1cccc(Cl)c1 224141278 RNOXVZFDKDUJNU-UHFFFAOYSA-N 306.749 2.531 50 40 DFGB CCOC(=O)NNC(=O)c1cccc2c3c([nH]c12)CCCCC3 30578898 HEENNKUFTOXUOR-UHFFFAOYSA-N 315.373 2.828 50 40 DFGB CCOC(=O)C1=C(C)NC(S)=C(C#N)[C@H]1c1cccs1 19825718 RXBWSZHRKUTUSJ-LBPRGKRZSA-N 306.412 2.937 50 40 DFGB O=C(NNC(=O)c1sccc1-c1ccccc1)c1ccccn1 8984672 VXQHCHBPJMCLQH-UHFFFAOYSA-N 323.377 2.885 50 40 DFGB C=CCn1c(C)c(/C=C(\C#N)C(=O)NCCOC)c2ccccc21 408861875 BMCGFVKRKCGGHJ-NTCAYCPXSA-N 323.396 2.805 50 40 DFGB O=C(O)c1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1 32189266 VXUDRFPTUGJXMB-ZDLGFXPLSA-N 308.293 2.895 50 40 DFGB CCn1c(C)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c1C 567381 LHRWOUWUGGRAPC-KEBDBYFISA-N 312.348 2.900 50 40 DFGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1sccc1C 206033 ZWPIYTWYEAWRHJ-LBPRGKRZSA-N 304.371 2.701 50 40 DFGB CCCOc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1 23724006 DOIHDBFYHAQHKV-GSPCDJLXSA-N 314.385 2.678 50 40 DFGB COc1ccc(/C=C/C(=O)N/N=C/c2ccccc2OC)cc1 409059830 XVAGFXDQHDCDBQ-CBLICJDJSA-N 310.353 2.867 50 40 DFGB CCC[C@H](C(=O)NN)N1c2cc(OC)ccc2[C@H](C)CC1(C)C 260619417 LDSIXLXEZFOPNG-IUODEOHRSA-N 319.449 2.946 50 40 DFGB C/C(=N/NC(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 267866 NEZJQINPDWBEMQ-YVLHZVERSA-N 301.277 2.888 50 40 DFGB CC(C)(C)c1noc(CCCC(=O)NNc2ccc(F)cc2)n1 42040119 SVXAKRLJZSZFSA-UHFFFAOYSA-N 320.368 2.972 50 40 DFGB OCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 101168056 YTLVNTUZVNOUBJ-UHFFFAOYSA-N 308.361 2.705 50 40 DFGB CCOc1cccc(/C=C(/C#N)C(=O)NC2CCCC2)c1O 409195251 SRIYPKUGJQAKRN-RAXLEYEMSA-N 300.358 2.757 50 40 DFGB Cc1cc(C(=O)NNC(=O)/C=C/c2ccc(F)cc2)c(C)o1 6436550 RDJFHWTUTYTSIK-VMPITWQZSA-N 302.305 2.510 50 40 DFGB CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)c1 8846182 BHHJMGABDMDSHX-KRWDZBQOSA-N 307.353 2.886 50 40 DFGB C[C@@H]1CCc2sc(C(=O)NNC(=O)C[C@@H]3C=CCC3)cc2C1 8023136 OQRDLGYUNOLYRK-VXGBXAGGSA-N 318.442 2.990 50 40 DFGB O=C1C[C@@H](C(F)(F)F)N(C(=O)CCl)c2ccccc2N1 9690945 ABQWGXXZGDJLIX-VIFPVBQESA-N 306.671 2.532 50 40 DFGB CC(C)Cc1ccc(CC(=O)NNC(=O)Cc2ccccc2)cc1 12973619 JSUIQQKHFPBPHZ-UHFFFAOYSA-N 324.424 2.818 50 40 DFGB COc1cc(C(=O)N/N=C(\C)C(C)(C)C)cc(OC)c1OC 4602413 MYBYERUTBITSJS-LICLKQGHSA-N 308.378 2.864 50 40 DFGB COc1cc(C(=O)N/N=C2\C[C@H]3CC[C@@H]2C3)cc(OC)c1OC 370055 VDAJYEQZNCDILE-WNYFIRAASA-N 318.373 2.618 50 40 DFGB O=C(N/N=C/c1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 3172738 JPYRNMWRLUMPQL-CAOOACKPSA-N 305.240 2.637 50 40 DFGB NNC(=O)c1cccc(OC(=O)c2cccc3ccccc23)c1 226305843 XLXJNLIPUSWPFA-UHFFFAOYSA-N 306.321 2.663 50 40 DFGB C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)N/N=C/c1ccc(O)c(O)c1)C2 100869174 CSDRVEKUFJFQPS-KJXPIBEZSA-N 314.385 2.930 50 40 DFGB CCc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1 8200503 KUTSTXRBOOUCMN-UHFFFAOYSA-N 302.761 2.977 50 40 DFGB O=C(N/N=C/c1ccc2c(c1)CCC2)c1ccccc1[N+](=O)[O-] 1596986 SKWWONMDYXCJLZ-WOJGMQOQSA-N 309.325 2.847 50 40 DFGB CC(C)N1C(=O)/C(=N/NC(=O)Nc2ccccc2)c2ccccc21 6327547 LCQCXCDCUHBPJY-CAPFRKAQSA-N 322.368 2.967 50 40 DFGB Cc1cc(OCC(=O)N/N=C/c2cccc(O)c2)ccc1Cl 566265 KONLSFYAHRTBTC-GIJQJNRQSA-N 318.760 2.883 50 40 DFGB CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NN)cc2)cc1 588356 MCXFZWBARWOLHW-UHFFFAOYSA-N 311.385 2.840 50 40 DFGB CCCC1=C(C(=O)OCC)[C@@H](c2ccco2)C(C#N)=C(N)O1 2205476 DKXWGEJLERNXJL-CYBMUJFWSA-N 302.330 2.705 50 40 DFGB C[C@H](Oc1ccc(C#N)cc1)C(=O)N/N=C/c1cccc(F)c1 8499754 PEKCSSBOFRGIQY-DQAKUKQTSA-N 311.316 2.615 50 40 DFGB C/C(=N\NC(=O)c1ccc2nc[nH]c2c1)c1ccc([N+](=O)[O-])cc1 4870745 KFTZUGRQOXHVFT-VXLYETTFSA-N 323.312 2.625 50 40 DFGB CCOC(=O)c1ccc([C@H](C)NNC(=O)OC(C)(C)C)cc1 40443139 UMABWHANJGIRER-NSHDSACASA-N 308.378 2.954 50 40 DFGB COc1cccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)c1OC 408873764 VMDGZDUNEVPYPF-WTSFEREASA-N 316.401 2.980 50 40 DFGB CCCCC[C@@H]([C@@H](O)C#N)C(O)(C(F)(F)F)C(F)(F)F 73371854 XPNRJHDSUWETBF-YUMQZZPRSA-N 307.234 2.923 50 40 DFGB CCOc1ccc(C(=O)NN)cc1COc1ccc(C)c(C)c1 224617030 LXOLGJFSWXLGIG-UHFFFAOYSA-N 314.385 2.885 50 40 DFGB COc1ccc(/C(C)=N/NC(=O)c2ccccc2O)c(OC)c1 12362537 MOQSDPBUGLVWAZ-WOJGMQOQSA-N 314.341 2.563 50 40 DFGB COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)N(C)C)o2)cc1 1106099 KLHBNHFZXNXOEZ-GXDHUFHOSA-N 324.336 2.728 50 40 DFGB COc1ccc([C@H](CNC(=O)CCl)N2CCCCC2)cc1 3426873 SAHZZPBLZTUWQN-HNNXBMFYSA-N 310.825 2.577 50 40 DFGB in-vitro C/C(=N\NC(=O)C1CC1)c1ccc(NC(=O)c2ccco2)cc1 15938594 WEYAHXKRQRQUKE-YBFXNURJSA-N 311.341 2.782 50 40 DFGB N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)C(N)=O 408866611 HJENEDACBGCEFW-RIYZIHGNSA-N 323.308 2.566 50 40 DFGB COc1ccc(O)c(/C=N\NC(=O)Cc2ccc(C)cc2C)c1 216038213 HEBSPNNYBGRACK-ODLFYWEKSA-N 312.369 2.710 50 40 DFGB COc1ccc(COC(=O)NNC(=O)c2cccc(C)c2)cc1 6216786 XHSNXDBYHRENCD-UHFFFAOYSA-N 314.341 2.575 50 40 DFGB Cc1cc(OCC(=O)N/N=C/c2ccc(O)cc2)ccc1Cl 566250 VPARTDMHKGFUSD-GIJQJNRQSA-N 318.760 2.883 50 40 DFGB Cc1ccc(C(=O)NNC(=O)c2ccc(F)cc2F)c(C)c1 7407237 JBANYTBVVXQFBR-UHFFFAOYSA-N 304.296 2.656 50 40 DFGB CCC[C@@H](C(=O)NN)N1c2c(OC)cccc2[C@@H](C)CC1(C)C 223222501 HKFJXDWAOZRWBR-JSGCOSHPSA-N 319.449 2.946 50 40 DFGB CN(C)c1ccc(/C=N\NC(=O)COc2ccccc2Cl)o1 408994676 IKUYHOKJMAVFJK-MFOYZWKCSA-N 321.764 2.528 50 40 DFGB O=C(/C=C/c1ccco1)NNc1c(F)c(F)cc(F)c1F 2635197 CPIVTNJWBHVPPW-ONEGZZNKSA-N 300.211 2.993 50 40 DFGB CCOc1ccccc1[C@@H]1C(C#N)=C(N)N(C)C2=C1C(=O)CCC2 409123287 BQRGOJBDNYQBKK-QGZVFWFLSA-N 323.396 2.815 50 40 DFGB C[C@H](Cl)C(=O)Nc1ccc(N2CCOCC2)c(Cl)c1 34776748 OBUUWCVBBKTNFQ-VIFPVBQESA-N 303.189 2.742 50 40 DFGB C/C(=N/NC(=O)c1cc(-c2cccs2)n[nH]1)c1ccncc1 181308 KRLYIMOPFLLRPB-YVLHZVERSA-N 311.370 2.687 50 40 DFGB CCn1nc(C)c(/C=N\NC(=O)Cc2ccc(Cl)cc2)c1C 13111493 SRBIYQBIZXBGSS-ZDLGFXPLSA-N 318.808 2.866 50 40 DFGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccccc1Cl 3071766 LUZLTSYLGDFOFJ-LICLKQGHSA-N 317.732 2.941 50 40 DFGB COc1ccc(/C(C)=N/NC(=O)c2cccc(F)c2)cc1OC 4525148 JQJOUASWLGIFRF-YBFXNURJSA-N 316.332 2.997 50 40 DFGB CCCOc1ccc(/C=N\NC(=O)c2sc(N)nc2C)cc1 31857563 POCJRBQMTWRXIF-MFOYZWKCSA-N 318.402 2.586 50 40 DFGB Cc1cc2c(c(=O)o1)[C@H](CCc1ccccc1)C(C#N)=C(N)O2 279087 JORATJPRFCMFNZ-CYBMUJFWSA-N 308.337 2.751 50 40 DFGB CCCC(=O)Nc1ccc(C(=O)N/N=C/c2cccnc2)cc1 357533 OZIUWGGFONJPCD-XDHOZWIPSA-N 310.357 2.584 50 40 DFGB O=C1Oc2ccc([N+](=O)[O-])cc2N/C1=C/C(=O)c1ccccc1 100932873 VTTMXDIGWSXTTR-UKTHLTGXSA-N 310.265 2.693 50 40 DFGB Cc1cc(Br)ccc1N1C[C@H](C(=O)Cl)CC1=O 45952708 DYQBZWOPHDKRDZ-MRVPVSSYSA-N 316.582 2.876 50 40 DFGB CCOC(=O)c1sc(NNC(=O)c2ccc(C)cc2)nc1C 525639 OGMFZQPMCUFZHE-UHFFFAOYSA-N 319.386 2.694 50 40 DFGB ClC[C@@H](Cl)COC[C@H]1CO[C@@H]([C@@H]2C[C@H]3C=C[C@@H]2C3)O1 6185735 VUNCFBMWHARXEN-GMDXDWKASA-N 307.217 2.803 50 40 DFGB CCOc1ccc(N/C=C(/C#N)C(=O)OC(F)(F)F)cc1 100247359 RHYJBICXFSAGCE-HJWRWDBZSA-N 300.236 2.968 50 40 DFGB Cc1cc(C)nc(NNC(=O)c2ccc(C)c(-n3cccc3)c2)n1 22236010 WSQYSDMWQQJTIL-UHFFFAOYSA-N 321.384 2.949 50 40 DFGB O=C(NNC(=O)C1(c2ccccc2)CC1)C1(c2ccccc2)CC1 44980641 UYSQXEBMPXIPJU-UHFFFAOYSA-N 320.392 2.597 50 40 DFGB CCSc1nnc(NC(=O)[C@H](Br)CC)s1 74941548 ZCYXCJXALXTPCL-RXMQYKEDSA-N 310.242 2.762 50 40 DFGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(O)cc1 245204303 QRERZNXMAUVQGT-LLVKDONJSA-N 318.760 2.963 50 40 DFGB O=C(N/N=C\c1ccccc1O)c1cccc(Br)c1 13303651 QEXIQGCBAFBJNW-SXGWCWSVSA-N 319.158 2.919 50 40 DFGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CC1(C)OCCO1 6295495 ZCTOBHJQWSRDNJ-XMHGGMMESA-N 318.417 3.000 50 40 DFGB O=C(CNc1cccc2ccccc12)N/N=C/c1cccnc1 238102 ZTPIHWUTKBJGLN-CIAFOILYSA-N 304.353 2.797 50 40 DFGB CC1(CC(=O)N/N=C/c2c(Cl)cccc2Cl)OCCO1 233715 CSJFPAGSEQTFQX-LZYBPNLTSA-N 317.172 2.597 50 40 DFGB CCCOc1cccc(C(=O)NNC(=O)c2cccs2)c1 6593516 JAEJLWNDRJOEPU-UHFFFAOYSA-N 304.371 2.612 50 40 DFGB O=C1Nc2ccc([N+](=O)[O-])cc2[C@@]1(Br)CCCl 6884169 LECZMHZNXPXNCF-JTQLQIEISA-N 319.542 2.766 50 40 DFGB O=C(CCC1CCCCC1)NNC(=O)CNc1ccccc1 12533184 MJFLQEHZIBFVFP-UHFFFAOYSA-N 303.406 2.606 50 40 DFGB CC(C)[C@@H](Br)C(=O)Nc1cnn(CCCCF)c1 96508974 ZIDIOZSENRYLDN-LLVKDONJSA-N 320.206 2.991 50 40 DFGB N#CC(C#N)=Cc1ccc(-c2cnc(N3CCOCC3)s2)o1 16430417 RTAAMMHJXSPRCL-UHFFFAOYSA-N 312.354 2.670 50 40 DFGB COc1ccc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)cc1C 8336390 SLKHGRYXHWRCQW-DDLUMYACSA-N 307.353 2.761 50 40 DFGB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)N/N=C/c1ccc(O)cc1O)C2 101332514 JDYRNBZSLPHWPF-VTXJYZGHSA-N 314.385 2.930 50 40 DFGB O=C(NN=C(c1ccccc1)c1ccccc1)c1cnccn1 10129904 KODJGNHPLGDEFX-UHFFFAOYSA-N 302.337 2.659 50 40 DFGB Cc1ccc(-c2cc(C(=O)NNc3nc(C)cc(C)n3)on2)cc1 44917321 KMHHBIXYOJRBTJ-UHFFFAOYSA-N 323.356 2.814 50 40 DFGB CC[C@H](C)n1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cn1 253406372 UKNPEHUTHCUOOO-ZUZCIYMTSA-N 312.373 2.669 50 40 DFGB Cc1n[nH]c(C)c1NC(=O)c1ccc(NC(=O)[C@@H](C)Cl)cc1 14404503 STUZIKJUJPKSJZ-MRVPVSSYSA-N 320.780 2.845 50 40 DFGB COc1cc(C=O)c([N+](=O)[O-])cc1OCCCBr 4782827 OXOGJQOBCNDQEC-UHFFFAOYSA-N 318.123 2.580 50 40 DFGB O=C(NN=C1[C@H]2CCC[C@@H]1CC(C(=O)O)C2)c1ccccc1 4279567 AXFPWIVHCXHDGM-PBWFPOADSA-N 300.358 2.683 50 40 DFGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1O 6944333 FNYYOLVNKRHFIT-LCYFTJDESA-N 300.358 2.757 50 40 DFGB N#C/C(=C/c1ccc(OCC(=O)O)cc1)c1ccc(C(=O)O)cc1 408543238 OENDKXSVJLFMAX-DHDCSXOGSA-N 323.304 2.912 50 40 DFGB CC[C@H](C)n1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cn1 253406345 UKNPEHUTHCUOOO-BONVTDFDSA-N 312.373 2.669 50 40 DFGB Cc1cc(C)n(Cc2cccc(C(=O)N/N=C/c3ccco3)c2)n1 130440 QGUIAWKNPLXPMJ-YBFXNURJSA-N 322.368 2.905 50 40 DFGB O=C(CNc1cccc2ccccc12)N/N=C/c1ccccn1 261710 DBNWWYYLYYRALC-CIAFOILYSA-N 304.353 2.797 50 40 DFGB O=C(N/N=C(/c1ccccc1)c1ccccn1)c1ccccn1 369661 UXCMIXNEKXSRDA-FXBPSFAMSA-N 302.337 2.659 50 40 DFGB CCCOc1ccc(C(=O)NNC(=O)c2cccs2)cc1 3428685 NKOITTMOKQQUOA-UHFFFAOYSA-N 304.371 2.612 50 40 DFGB O=C(N/N=C/c1ccc(O)c(Br)c1)c1ccco1 4503803 XSIKNMINFQJMDJ-VGOFMYFVSA-N 309.119 2.512 50 40 DFGB CC(C)[C@@H](Br)C(=O)N1CCC[C@H](c2cn[nH]c2)C1 96515834 LYFSBRSCYSHZKF-CMPLNLGQSA-N 314.227 2.535 50 40 DFGB COc1ccccc1N[C@@H](C)C(=O)N/N=C/c1ccc(F)cc1 234108 LROHHSIYDXYKKB-MKFNJMOCSA-N 315.348 2.785 50 40 DFGB O=C(COc1ccc(F)cc1F)Oc1ccc([N+](=O)[O-])cc1 1732360 ABZXIJHNNTWNRQ-UHFFFAOYSA-N 309.224 2.857 50 40 DFGB COc1ccc(NCC(=O)N/N=C/c2ccccc2Cl)cc1 353825 XMZLWGBYDHEQIX-VXLYETTFSA-N 317.776 2.911 50 40 DFGB O=C(NNc1cccc(Cl)c1)[C@@H]1CC(c2ccccc2)=NO1 56422457 VRDLELYVWDCYCW-HNNXBMFYSA-N 315.760 2.976 50 40 DFGB COc1cccc(/C=N/NC(=O)COc2cc(C)cc(C)c2)c1 3578076 CQHFAZFDSZTHLI-YBFXNURJSA-N 312.369 2.841 50 40 DFGB CCCOc1ccc(C(=O)N/N=C/c2ccc(O)c(O)c2)cc1 20197508 GLUBDNYEHSMHGF-WOJGMQOQSA-N 314.341 2.651 50 40 DFGB N#CC(C#N)=CNC1CCN(c2nc3ccccc3s2)CC1 65832365 HYQLBYWEOWHUEQ-UHFFFAOYSA-N 309.398 2.786 50 40 DFGB COc1cc(Cl)cc(/C=N/NC(=O)c2ccccc2O)c1O 43322 CRCVOQAPLCLRIW-CAOOACKPSA-N 320.732 2.524 50 40 DFGB CC(/C=C/c1ccc2c(c1)OCO2)=N\NC(=O)c1cccnc1 12362547 JDMJAOVJVRIMCI-NYIWCXCSSA-N 309.325 2.629 50 40 DFGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(F)cc2)c1 6512753 GNVXAXRSDGNRLW-RGVLZGJSSA-N 313.332 2.938 50 40 DFGB BrC[C@@H]1Cn2c(Cc3ccccc3)nnc2S1 502555 SBGHRZJDRZKUEL-SNVBAGLBSA-N 310.220 2.738 50 40 DFGB COC(=O)[C@@H](Br)Cc1ccc(Br)cc1 20272487 YRZAFKNONVRFNF-VIFPVBQESA-N 321.996 2.928 50 40 DFGB CC(=O)N/N=C(\C)CC(=O)Nc1ccc(Cl)c(Cl)c1 100571703 BINWNMSVJMGEJZ-FRKPEAEDSA-N 302.161 2.834 50 40 DFGB CC(C)(C)C1CCC(C(=O)NNC(=O)c2ccncc2)CC1 12921015 XYSRGWCLXOPMJS-UHFFFAOYSA-N 303.406 2.695 50 40 DFGB CCO[C@@]1(c2ccccc2)C[C@H]1C(=O)N/N=C/c1ccc(C)o1 4520490 FRNHVSHWPZLNOZ-BXXXDOFISA-N 312.369 2.990 50 40 DFGB O=C(Cc1ccc(F)cc1)N/N=C/c1cc(O)c(O)c(Cl)c1 8023597 AUZOLPNXJYSOFA-QGMBQPNBSA-N 322.723 2.583 50 40 DFGB C/C(CC(=O)Nc1cc(C)ccc1C)=N/NC(=O)c1ccncc1 17211503 SICJKIQCDFCVSD-STZFKDTASA-N 324.384 2.833 50 40 DFGB COc1ccc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)cc1C 8336389 SLKHGRYXHWRCQW-DORSJAEJSA-N 307.353 2.761 50 40 DFGB C[C@@H](Oc1ccccc1)C(=O)N/N=C\c1ccccc1OCC#N 4544386 YWSVOKILVVHQOM-KELUXRKGSA-N 323.352 2.507 50 40 DFGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(O)cc2)c1C 12843962 DNSREWSQYWMYLY-VXLYETTFSA-N 312.369 2.847 50 40 DFGB O=C(COc1ccc2ccccc2c1)N/N=C1/CCSC1 22010824 RTXWYTANMAIBNI-VKAVYKQESA-N 300.383 2.828 50 40 DFGB N#C/C(=N/Nc1ccc(Cl)cc1)C(=O)NN=C1CCCC1 5569743 BAKHRTMHCDSCBB-UYRXBGFRSA-N 303.753 2.678 50 40 DFGB COc1ccc(-c2nn(CCC#N)cc2C=C(C#N)C#N)cc1 3273750 IKMDIJVCWXJXNI-UHFFFAOYSA-N 303.325 2.903 50 40 DFGB N#C/C(=C\c1ccc(COc2ccc3c(c2)CCC3)o1)C(N)=O 2774863 UVPHAXPAMAPBOY-NTEUORMPSA-N 308.337 2.740 50 40 DFGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C(\C)c1ccccc1 408568455 UTCMGZINZLEMOI-GZTJUZNOSA-N 313.313 2.757 50 40 DFGB Cc1cc(-c2ccc(/C=C(/C#N)C(N)=O)o2)c([N+](=O)[O-])cc1C 208773609 KCMVBXILQNUODM-XFFZJAGNSA-N 311.297 2.864 50 40 DFGB O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc2c(c1)OCCO2 542201 LPTIKHKGGLEOCG-RGVLZGJSSA-N 321.336 2.703 50 40 DFGB O=C(N/N=C/c1cc(Cl)ccc1O)c1ccc([N+](=O)[O-])cc1 3152363 CUVHYTYKZXTVCC-LZYBPNLTSA-N 319.704 2.718 50 40 DFGB O=C1OC(=O)[C@H]2[C@H]1C1c3ccccc3C2(Cl)c2ccccc21 101959021 ZNVBZVTWIYFOBA-NWPKHEMWSA-N 310.736 2.944 50 40 DFGB CCCCC[C@H]1[C@@H](O)CC[C@@H]1CC(=O)N/N=C/c1cccnc1 4713518 DHFFALMXWOZKCL-WZACYJNZSA-N 317.433 2.889 50 40 DFGB C#CCn1c(C)c(/C=N/NC(=O)c2cccnc2)c2ccccc21 6792468 POKDDZSHXHWPQV-FYJGNVAPSA-N 316.364 2.742 50 40 DFGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)NCCN(C)C)o2)cc1 2271497 CDXWELCFVLQJNU-FOWTUZBSSA-N 323.396 2.840 50 40 DFGB Cc1cc(C(=O)NNC(=O)c2ccccc2F)c2ccccc2n1 5885449 SUDOLQPCNJIJCC-UHFFFAOYSA-N 323.327 2.757 50 40 DFGB COc1cc(Cl)c(/C=N\NC(=O)c2ccncc2)cc1OC 16194818 DBPGSKBJFQLUQO-NVMNQCDNSA-N 319.748 2.516 50 40 DFGB O=C1C[C@H](C(F)(F)F)N(C(=O)CCl)c2ccccc2N1 9690944 ABQWGXXZGDJLIX-SECBINFHSA-N 306.671 2.532 50 40 DFGB CCCCC(=O)Nc1cccc(N2C[C@@H](C(=O)Cl)CC2=O)c1 45953990 QPKJAKQWBSPUHM-NSHDSACASA-N 322.792 2.934 50 40 DFGB COC(=O)c1ccc(C(Br)Br)nc1 140169113 LTQPTZCKCBJVET-UHFFFAOYSA-N 308.957 2.657 50 40 DFGB CC(C)(C)NC(=S)NNC(=O)c1ccc(Cl)c(Cl)c1 8302306 YVCWHUIBHWOQBR-UHFFFAOYSA-N 320.245 2.901 50 40 DFGB CC(C)=NNC(=O)c1ncn2c1nnc1c3ccccc3ccc12 1409195 MYUFGULCFIUXQM-UHFFFAOYSA-N 318.340 2.556 50 40 DFGB CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)N(C)C 59334932 CFNFVNAHVUSWND-XFFZJAGNSA-N 323.190 2.843 50 40 DFGB COc1ccc([C@@H]2NC(=O)NC(C(C)(C)C)=C2C#N)cc1OC 409370705 DKLVMXLJYILTCW-AWEZNQCLSA-N 315.373 2.881 50 40 DFGB COc1ccc(/C=N/NC(=O)c2c[nH]c3ccccc23)cc1OC 271702 NUYWGFXJXAXMIJ-KEBDBYFISA-N 323.352 2.949 50 40 DFGB C[C@@H](/C=N/NC(=O)Cn1ccc(C(F)(F)F)n1)c1ccccc1 4921822 RIMVCHSPQLOMLG-LOMXTUQMSA-N 324.306 2.808 50 40 DFGB CN1CCN(c2ccc(/C=C(\C#N)C(=O)C(C)(C)C)cc2)CC1 2561832 KPMYENPZVCWNOA-DTQAZKPQSA-N 311.429 2.961 50 40 DFGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)c1 13338280 RIRLSCFFJWRNKD-NTEUORMPSA-N 322.320 2.939 50 40 DFGB C/C(=N\NC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1 5005832 KACLZGOKXCKFMB-XSFVSMFZSA-N 321.380 2.967 50 40 DFGB CCOc1cccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c1 6950127 VVKQCNASXOUQQU-VCHYOVAHSA-N 312.325 2.578 50 40 DFGB CCOc1ccc(/C(C)=N/NC(=O)c2ccco2)cc1[N+](=O)[O-] 409044615 OKTKORFQMYMZDI-MHWRWJLKSA-N 317.301 2.741 50 40 DFGB O=C/C(=C\Nc1ccc(O)c(C(=O)O)c1)c1nc2ccccc2o1 3021230 OQCYNLRLAZDAOZ-CSKARUKUSA-N 324.292 2.884 50 40 DFGB O=C(O)CCc1ccc(CN(CCCl)CCCl)cc1 1679933 RCSNYTOKPGRNJW-UHFFFAOYSA-N 304.217 2.983 50 40 DFGB CCOC(=O)C1=C(C)N2CCSC2=C(C#N)[C@@H]1c1ccco1 170622634 CWQTWBPHABFZGT-CQSZACIVSA-N 316.382 2.998 50 40 DFGB O=C(N/N=C\c1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1O 408876704 QFKJWLSBBYGMLT-PXNMLYILSA-N 319.704 2.718 50 40 DFGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 255069 RPVKNDDIHSBYPA-CAOOACKPSA-N 302.717 2.833 50 40 DFGB O=C(CCl)N1CCN(Cc2cccc3ccccc23)CC1 20268524 OXJKQVHSPFERIM-UHFFFAOYSA-N 302.805 2.723 50 40 DFGB COCCOc1cc2c(Cl)ncnc2cc1OCCCl 22054320 HFGVHQGBDDTDIJ-UHFFFAOYSA-N 317.172 2.926 50 40 DFGB in-vitro Cc1ccccc1[C@@H](C)NC(=O)NNC(=O)c1ccoc1C 45128802 WMFJNNBIOYRNEG-LLVKDONJSA-N 301.346 2.602 50 40 DFGB Cc1ccc(C)c(CC(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)c1 409359239 AOHRMNVKXNKIGN-WQRHYEAKSA-N 311.341 2.904 50 40 DFGB CCN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)CCl 79392523 VWPMLIIBSAMMTR-LBPRGKRZSA-N 318.845 2.721 50 40 DFGB COc1ccc(/C=N\NC(=O)/C=C/c2ccccc2)c(OC)c1 17024563 NGMVLAGBNCVHMY-SSZQZOOLSA-N 310.353 2.867 50 40 DFGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(F)cc2)c1C 3148471 FGTFKDIRXZVQCT-VXLYETTFSA-N 313.332 2.531 50 40 DFGB O=C(N/N=C/c1ccccc1C(=O)O)c1ccc2ccccc2n1 44867342 SCAQDLGQHLKIHP-YBFXNURJSA-N 319.320 2.697 50 40 DFGB COc1cccc(NC(=O)/C(C#N)=C\c2ccccc2C(=O)O)c1 223170441 PTJWLICSPFLOJE-LCYFTJDESA-N 322.320 2.939 50 40 DFGB CC(C)(C)C(=O)N[C@H]1CCCC[C@H]1I 1720147 SGNUQPHCBJCFJK-BDAKNGLRSA-N 309.191 2.895 50 40 DFGB O=C(CCl)Nc1ccc(-c2nnc3n2CCCCC3)cc1 9646741 YHHRGJVKRFANBT-UHFFFAOYSA-N 304.781 2.849 50 40 DFGB COc1ccc(/C=C/C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 409058626 UFNKBSDUHGQTPG-PMMWVYMGSA-N 323.396 2.925 50 40 DFGB O=C(CSCc1ccccc1)NN=C(CCl)CCl 409357859 RUZVWOXADZGMNR-UHFFFAOYSA-N 305.230 2.870 50 40 DFGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(F)cc1 33653106 VTNUMROQVYWXFY-RQZCQDPDSA-N 317.276 2.506 50 40 DFGB O=C(Cl)[C@H]1CC(=O)N(c2ccc(Cc3ccncc3)cc2)C1 45958398 KBQQEKGIJNQREH-AWEZNQCLSA-N 314.772 2.791 50 40 DFGB C/C(CC(=O)Nc1ccc(C)cc1)=N\NC(=O)c1ccc(N)cc1 5363183 AVKNYJZGODUIBQ-FYJGNVAPSA-N 324.384 2.712 50 40 DFGB O=C1c2cc(F)c(Br)cc2O[C@@H]1Br 258839876 XOEOIXKWUHXCNQ-QMMMGPOBSA-N 309.916 2.884 50 40 DFGB COc1cccc(/C=N/NC(=O)CSc2ccccc2)c1O 59155616 AEGIRHQWFBWQTJ-LICLKQGHSA-N 316.382 2.643 50 40 DFGB Cc1cc(NP(=O)(N(C)C)N(C)C)n(-c2ccccc2)n1 102141142 PXRXWJLTSWMEFW-UHFFFAOYSA-N 307.338 2.824 50 40 DFGB CC/C(Cc1ccccc1)=N\NC(=O)[C@H]1COc2ccccc2O1 6046281 IUPBNTJACDKLJT-KETZHDHUSA-N 324.380 2.951 50 40 DFGB C/C(=N\NC(=O)c1cccnc1)c1cccc(OC(F)F)c1 6528804 ADPZYBIIPQFYPS-VXLYETTFSA-N 305.284 2.837 50 40 DFGB CCOc1ccc(C(=O)NNC2=CC(=O)CC(C)(C)C2)cc1 408738718 NBYQHHFCALSOLL-UHFFFAOYSA-N 302.374 2.593 50 40 DFGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(OC)c1 408795805 NDYFCNIGEHSPCO-UKTHLTGXSA-N 324.336 2.955 50 40 DFGB COc1ccc(/C=N/NC(=O)c2ccc(C)nc2)cc1Cl 35073815 ZTLAHVZEJWMTGX-QGMBQPNBSA-N 303.749 2.816 50 40 DFGB Cc1cccc(-c2ncc(C(=O)NN)c(Nc3ccccc3)n2)c1 223462534 MUKKNJFMEHKCHF-UHFFFAOYSA-N 319.368 2.799 50 40 DFGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cccnc1 248988 VYTHKVDYIDGEPR-QGMBQPNBSA-N 324.167 2.918 50 40 DFGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccccc2O)c1 7950703 IAKCDDWVAMDIHZ-YBFXNURJSA-N 311.341 2.505 50 40 DFGB C=CC[n+]1ccc(C(=O)/C(C#N)=C2/Nc3ccccc3N2C)cc1 27232670 ZNZPXVOWGXXORN-UHFFFAOYSA-O 317.372 2.640 50 40 DFGB COc1ccc(O)c(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)c1 107876854 GVUMEHUKXXFMQQ-PBJSLJLMSA-N 302.374 2.677 50 40 DFGB Cc1ccc(CN(C)C(=O)NNC(=O)c2ccccc2)c(C)c1 12972906 SZAKDAXWMQSQBV-UHFFFAOYSA-N 311.385 2.790 50 40 DFGB C/C(=N\NC(=O)c1ccccn1)c1ccc(Br)cc1 5024903 TUOJPRVAYMZIOG-LICLKQGHSA-N 318.174 2.998 50 40 DFGB C/C(=C\C(=O)c1ccccc1)NNC(=O)c1ccc(N(C)C)cc1 4579404 YXIFSOGPCNDAHK-BUHFOSPRSA-N 323.396 2.774 50 40 DFGB CC(C)NC(=O)/C(C#N)=C\c1cc(Br)ccc1O 408784961 DTADFWWFEFXATG-YHYXMXQVSA-N 309.163 2.586 50 40 DFGB COc1ccc2c3c1O[C@@H]1[C@@H](Cl)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314 253504149 CVLHOXTTXWEUCL-HKAKVCCISA-N 317.816 2.748 50 40 DFGB biogenic,in-vitro COc1cc(O)ccc1/C=N/NC(=O)c1ccc(Cl)cc1 61677 JPGHCTZSVAPTBC-RQZCQDPDSA-N 304.733 2.818 50 40 DFGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(C)o1 143962 AMRPKPIGRBBHAK-FMIVXFBMSA-N 310.309 2.920 50 40 DFGB Cc1occc1C(=O)NNC(=O)N[C@@H](C)c1ccccc1Cl 32795444 LTJJBWBHCKDVIU-VIFPVBQESA-N 321.764 2.947 50 40 DFGB COc1ccc(N)c(P(=O)(c2ccccc2)c2ccccc2)c1 97951095 OAKVKAQCKQINEB-UHFFFAOYSA-N 323.332 2.917 50 40 DFGB O=C(Cc1cccs1)N/N=C\c1ccc(Br)o1 13576015 RNRXIMXTFGXTPN-QPEQYQDCSA-N 313.176 2.796 50 40 DFGB O=C1C[C@@H](Sc2ncc(C(F)(F)F)cc2Cl)C(=O)O1 100913125 JIDNCDBBERYMGD-ZCFIWIBFSA-N 311.668 2.688 50 40 DFGB O=C1OC(=O)c2cc([N+](=O)[O-])c(N3CCCC3)c3cccc1c23 101123122 VKVIVPOKYHUVBJ-UHFFFAOYSA-N 312.281 2.659 50 40 DFGB CN(CC(=O)N/N=C/c1ccccc1Cl)c1ccccc1 33058 LZKUHTLCQMOZQY-WOJGMQOQSA-N 301.777 2.927 50 40 DFGB C[C@@H](OC(=O)/C(C#N)=C/c1ccco1)C(=O)N(C)c1ccccc1 5215724 OTFOBRYLCNEKLD-MBFWDRTGSA-N 324.336 2.781 50 40 DFGB C/C=C1/CN2CC[C@@]34C(=C(C=O)[C@H]1C[C@H]23)Nc1c(O)cccc14 4311730 JDOFCMASVRMYJU-BPRUDDEBSA-N 308.381 2.563 50 40 DFGB biogenic Cn1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2ccccc21 509787 YNYVXYLVZGNVGT-VCHYOVAHSA-N 322.324 2.850 50 40 DFGB COc1ccc(/C=N/NC(=O)C(O)(CC(C)C)CC(C)C)cc1 2333406 XQCVWMCVACMZGS-XDHOZWIPSA-N 320.433 2.969 50 40 DFGB C/C(=N/NC(=O)c1n[nH]c2c1CCCC2)c1ccc(F)cc1 18148582 NRYPYEWYJXTADJ-ZDLGFXPLSA-N 300.337 2.582 50 40 DFGB Cc1cc2c(cc1/C=C(\C#N)C(=O)NCc1ccco1)OCO2 408992138 ZUFNSWUCHXJOMN-AWNIVKPZSA-N 310.309 2.540 50 40 DFGB CC(=O)n1cc(/C=N/NC(=O)c2ccccc2O)c2ccccc21 258273 VSSQEVIPZBKIMP-VXLYETTFSA-N 321.336 2.771 50 40 DFGB Cc1ccc(NC(=S)NNC(=O)c2cccs2)c(C)c1 1413015 RGQHUPSSIVZPCY-UHFFFAOYSA-N 305.428 2.996 50 40 DFGB CC(C)[C@@H](Br)C(=O)Nc1ccc([N+](=O)[O-])cc1O 61997503 MOHQQPADHLTHGK-SNVBAGLBSA-N 317.139 2.658 50 40 DFGB Cc1cc(C)cc(CSCC(=O)NN=C2CCN(C)CC2)c1 408860119 SNPIPXDRMOEIPZ-UHFFFAOYSA-N 319.474 2.734 50 40 DFGB CCOc1ccc(/C=N/NC(=O)c2cccc(F)c2)cc1OC 4702475 UTYFCOXEHNDESL-YBFXNURJSA-N 316.332 2.997 50 40 DFGB CCOc1ccc(/C=N/NC(=O)CN2Cc3ccccc3C2)cc1 409199535 OLUHNHFXQVFWMX-RGVLZGJSSA-N 323.396 2.551 50 40 DFGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccco1)c1ccco1 33957573 ISQZOPCATCKOTD-WOJGMQOQSA-N 323.308 2.889 50 40 DFGB N#C/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1O 4906024 BWGMKYDVZHMHBC-WQLSENKSSA-N 309.281 2.846 50 40 DFGB N#CC(C#N)=Cc1cc(CSc2nnc(N)s2)cs1 8306827 UTTVCGGENISLOR-UHFFFAOYSA-N 305.413 2.905 50 40 DFGB O=C1CCC/C(=N/NC(=O)c2ccc(Br)cc2)C1 105787104 YVMUMAIAKSOLSV-PTNGSMBKSA-N 309.163 2.678 50 40 DFGB CCNC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 26967733 JKBXGBBPGRKYOR-FMIVXFBMSA-N 311.297 2.898 50 40 DFGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)CNC1CCCCC1 409370204 MWTCTOYFFVCKBX-RGVLZGJSSA-N 312.417 2.849 50 40 DFGB CCOC(=O)[C@H](c1ccc(C)cc1)[C@@H](SC#N)C(=O)OCC 5555611 SSQKXXQWAQPLEH-ZIAGYGMSSA-N 321.398 2.788 50 40 DFGB CC1(C)Cc2c(ccc3ccccc23)C2=C(C#N)C(=O)C(=O)N21 2491507 NIZAQWXZMNJHFQ-UHFFFAOYSA-N 302.333 2.820 50 40 DFGB Cc1c(C(=O)NN=Cc2ccc(Cl)cc2)sc(N)c1C#N 408729642 HNCBQCDDBQDDOB-UHFFFAOYSA-N 318.789 2.928 50 40 DFGB COCCn1c(C)cc(/C=N/NC(=O)Cc2cccs2)c1C 23260572 LPMGTDRJNSNKEM-GZTJUZNOSA-N 319.430 2.506 50 40 DFGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2O)[C@H]2CCCC=C12 35185223 HRCPXAXVIQIBQS-GUYCJALGSA-N 316.364 2.986 50 40 DFGB CC(C)(C)c1ccc(S(=O)(=O)NCCBr)cc1 2570348 SYRLPOFMWFJDIY-UHFFFAOYSA-N 320.252 2.657 50 40 DFGB CCc1cc(C(=O)NNC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)cs1 102599773 REPSGWTWMZGFBL-KWBADKCTSA-N 323.487 2.608 50 40 DFGB C/C=C1/CN2CC[C@]34C(=C(C=O)[C@@H]1C[C@@H]23)Nc1c(O)cccc14 101150023 JDOFCMASVRMYJU-OGCXRNQESA-N 308.381 2.563 50 40 DFGB N#CC1=C(N)n2c(nc3ccccc32)N[C@@H]1c1ccc(F)cc1 3907199 FLHYZRYPUQXYOX-OAHLLOKOSA-N 305.316 2.993 50 40 DFGB CC(C)N(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)CCl)C1 79391006 CXKNYPOXEPCUJP-LBPRGKRZSA-N 318.845 2.862 50 40 DFGB CCc1nnc(N/C=C(\C=O)c2nc3ccccc3o2)s1 5248011 RUMIKRUPXRRESE-VQHVLOKHSA-N 300.343 2.894 50 40 DFGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(O)cc1 143960 OMGYXARDHMFUSZ-JLHYYAGUSA-N 322.320 2.724 50 40 DFGB N#CC(=C1Nc2ccccc2N1)c1nc(C#N)c(C#N)nc1Cl 55900 KXUJXXIMUZZLKM-UHFFFAOYSA-N 319.715 2.603 50 40 DFGB Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1ccco1 1475150 LESJABKHMOWGFM-WOJGMQOQSA-N 308.341 2.846 50 40 DFGB C=CCNC(=O)/C(C#N)=C/c1cnn(-c2ccc(Cl)cc2)c1 44022785 HYNKSGFJCDHXTI-MDWZMJQESA-N 312.760 2.735 50 40 DFGB COc1cc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@]32C)ccc1O 100175422 QXRPAXQHBHNUDQ-MHHLJNGASA-N 302.374 2.677 50 40 DFGB CC(C)/C=N/NC(=O)CCCCCCC(=O)N/N=C/C(C)C 5726872 LKVFUWACBCPYOK-JYFOCSDGSA-N 310.442 2.843 50 40 DFGB COc1cccc(/C=C(/C#N)C(=O)NCCc2ccccc2)c1O 223168093 SXRLJBVWPSBAQD-VBKFSLOCSA-N 322.364 2.667 50 40 DFGB COC(=O)/C(C#N)=C\c1c(C)cc(C)c(COC(C)=O)c1C 63078 AHANFGDLOPXGEJ-AUWJEWJLSA-N 301.342 2.755 50 40 DFGB N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@H]1c1ccncc1 13151295 CBTGLXLKNNEDIS-LBPRGKRZSA-N 321.365 2.751 50 40 DFGB C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(F)cc1 13305554 HDHVKAHJIJMNBJ-ZVCOJXFSSA-N 314.316 2.506 50 40 DFGB C/C=C1\CN2CC[C@]34C(=C(C=O)[C@H]1C[C@@H]23)Nc1c(O)cccc14 100473362 JDOFCMASVRMYJU-CCPQRADESA-N 308.381 2.563 50 40 DFGB biogenic COc1cccc(C(=O)NNC(=O)c2ccc3ccccc3c2)c1 290033 DBAMYVBLJOTKPD-UHFFFAOYSA-N 320.348 2.923 50 40 DFGB Cc1cc(C)nc(NNC(=O)c2sc(C(C)(C)C)nc2C)n1 61374143 DONXYIYSKWSPAJ-UHFFFAOYSA-N 319.434 2.913 50 40 DFGB COc1ccc(/C=C(\C#N)C(=O)n2nc(C)cc2C)c(OC)c1 408977272 HXYLUEFPJQCHOO-RIYZIHGNSA-N 311.341 2.765 50 40 DFGB O=C(N/N=C/c1ccccc1O)c1ccccc1-n1cccc1 1573970 QVTPMTWFYDVYPY-CPNJWEJPSA-N 305.337 2.947 50 40 DFGB COc1ccc(N2C(=O)[C@H](Br)SC2=S)cc1 4280579 YSUQJNQSJRCJNL-MRVPVSSYSA-N 318.217 2.781 50 40 DFGB O=C(Cl)c1cc(N2C[C@H](C(=O)Cl)CC2=O)ccc1Cl 100680264 VKHVQGYECGDQGF-ZCFIWIBFSA-N 320.559 2.837 50 40 DFGB N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@H]1c1ccco1 4457944 BSOFDWMEXIKMGG-ZDUSSCGKSA-N 304.309 2.888 50 40 DFGB COc1ccc2c(c1)CCc1cc(C(=O)NN(C)C)sc1-2 9741601 UKCLTKXTDKRLII-UHFFFAOYSA-N 302.399 2.729 50 40 DFGB COc1ccc(C(=O)N/N=C/c2cn(C)c3ccccc23)cc1 40570798 FDKWHMSMLQFXEO-YBFXNURJSA-N 307.353 2.951 50 40 DFGB COC(=O)[C@@H]1C(O)=NC(SC)=C(C#N)[C@@H]1c1ccccc1C 1295093 MPJDCAKJXNMMEA-STQMWFEESA-N 316.382 2.936 50 40 DFGB CN1CCC(=NNC(=O)CSc2ccc(Cl)cc2)CC1 57292041 CKGDEJDOJRCKET-UHFFFAOYSA-N 311.838 2.630 50 40 DFGB COC(=O)c1cccc(/C=C(\C#N)C(=O)NC2CCCCC2)c1 408963400 BGWOWMRWZWUOHZ-RVDMUPIBSA-N 312.369 2.829 50 40 DFGB C/C(=N\NC(=O)Cc1ccccc1)c1ccc2c(c1)OCCO2 5288667 IINOBEYTSYHJRK-CPNJWEJPSA-N 310.353 2.541 50 40 DFGB O=C(Cc1cccc2ccccc12)NNC(=O)C[C@@H]1C=CCC1 8734041 ZQLLZQWHMJPJBL-CQSZACIVSA-N 308.381 2.886 50 40 DFGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc([N+](=O)[O-])s1 408722875 NZDYCISCLDJGCD-GNYVBIIRSA-N 307.375 2.933 50 40 DFGB COC(=O)[C@@H](C)SSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 17014631 QSZXNTAGMHVGQB-ZCFIWIBFSA-N 318.332 2.805 50 40 DFGB O=S(=O)(c1ccc(CBr)cc1)C(F)(F)F 34529661 HOUVBAVXMFCMRJ-UHFFFAOYSA-N 303.099 2.875 50 40 DFGB CO[Si](C[C@H](C)SCCc1ccccn1)(OC)OC 200069087 JGUUIHSLFPRUSA-LBPRGKRZSA-N 301.484 2.624 50 40 DFGB COc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1O 3376058 ZSGCSMZNTOVJQR-LFIBNONCSA-N 322.364 2.667 50 40 DFGB C[C@H](Nc1ccccc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 2753187 MCQOJJWJVROROI-OOIIIRTPSA-N 312.329 2.546 50 40 DFGB O=C(O)CC/C(=N\NC(=O)Cc1ccccc1)c1ccccc1 4155280 CQEASWCSBPLDHS-KNTRCKAVSA-N 310.353 2.614 50 40 DFGB CCc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1 4662550 VZPRNLDDBKRLMU-UHFFFAOYSA-N 302.761 2.977 50 40 DFGB CCc1ccc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1 409130119 KKIZVLFMCYIEHS-QGZVFWFLSA-N 307.397 2.979 50 40 DFGB CCOC(=O)/C(C#N)=C/c1cc(Br)ccc1OC 572774 MJEHPFMLBAQNRU-UXBLZVDNSA-N 310.147 2.928 50 40 DFGB CCOc1ccccc1C(=O)N/N=C/c1cc(OC)ccc1O 2751850 AFDUQQPHJSTYGU-WOJGMQOQSA-N 314.341 2.563 50 40 DFGB COc1cc(C(=O)N/N=C2/C[C@@H]3CC[C@H]2C3)cc(OC)c1OC 1001866 VDAJYEQZNCDILE-IEVFTTQPSA-N 318.373 2.618 50 40 DFGB O=C(N/N=C/c1ccccc1OC(F)F)c1ccc(O)cc1 3343300 PGGYDMKZAASEQR-GIJQJNRQSA-N 306.268 2.758 50 40 DFGB Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)NC3CC3)c2C)no1 8056239 VDNATVYKIIYMCM-RIYZIHGNSA-N 310.357 2.576 50 40 DFGB C=CCOc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1OC 213933293 FIAGTGYIWYIFKL-ZROIWOOFSA-N 300.358 2.692 50 40 DFGB Cc1ccc(/C=N/NC(=O)c2ccncc2)cc1Br 18039878 CCVZNBPZMNEFKH-RQZCQDPDSA-N 318.174 2.916 50 40 DFGB C[C@H]1CCc2[nH]c3c(C(=O)NNc4ncccn4)cccc3c2C1 48151355 RWKBAVSNJUXWML-NSHDSACASA-N 321.384 2.840 50 40 DFGB C/C(=N\NC(=O)COc1ccc(C#N)cc1)c1ccccc1F 6079149 JKVUEKQRIFYLJJ-UDWIEESQSA-N 311.316 2.617 50 40 DFGB COc1ccc(/C(C)=N\NC(=O)c2cccs2)cc1OC 13942131 AWWZTTZHEUVLEQ-YBEGLDIGSA-N 304.371 2.919 50 40 DFGB COc1ccc(C(=O)N/N=C(\C)c2ccc(C#N)cc2)cc1OC 5868122 WIBFPPTVOFFDCS-UDWIEESQSA-N 323.352 2.729 50 40 DFGB COc1ccc(/C=N/NC(=O)Cc2ccc(C)cc2)c(OC)c1 512124 CUXBKIWTNIIOIP-XDHOZWIPSA-N 312.369 2.705 50 40 DFGB COc1ccc(O)c(/C=N/NC(=O)c2ccccc2Cl)c1 254242 UBCXBBXRFJCJHI-RQZCQDPDSA-N 304.733 2.818 50 40 DFGB CN(C(=O)CCl)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 252518076 ZHTLFWYGQPNWJP-XYPYZODXSA-N 304.818 2.520 50 40 DFGB COC(=O)[C@@H](Br)[C@@H](OC)c1ccc(Cl)cc1 1570105 RBVQIIHMBAAIRW-UWVGGRQHSA-N 307.571 2.964 50 40 DFGB O=C1OC(=O)[C@]23Cc4ccccc4C[C@]12Cc1ccccc1C3 2049246202 FPBWXLBPUSJABF-BGYRXZFFSA-N 304.345 2.640 50 40 DFGB CC(C)C(=O)NNC(=O)c1csc(-c2ccc(Cl)cc2)n1 9532688 BJFINBKNRRKOEG-UHFFFAOYSA-N 323.805 2.881 50 40 DFGB CCOc1ccc(/C=N\NC(=O)c2ccc(C)nc2)cc1OC 30803169 OHKCTPGJUMKWNM-GRSHGNNSSA-N 313.357 2.561 50 40 DFGB O=C(CBr)c1ccccc1I 34160009 TXUHKKKUXDGIET-UHFFFAOYSA-N 324.943 2.869 50 40 DFGB in-vitro Cc1c(I)cccc1NC(=O)CCl 20416285 QXGJYASQWCPDNL-UHFFFAOYSA-N 309.534 2.777 50 40 DFGB CC(C)Oc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1 247173 ZJVMJECGTSPSSC-IUYQLWOBSA-N 314.385 2.676 50 40 DFGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(Cl)s1 377662 IICGKHBVRHVZSY-NSHDSACASA-N 310.762 2.656 50 40 DFGB O=C(NNC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1ccco1 102913417 RTOWFNLSNOYTPO-CHISNJGVSA-N 322.792 2.618 50 40 DFGB N#CCn1cc(/C=N/NC(=O)c2ccccc2)c2ccccc21 107593711 BNBPWPUZWDNQJR-UDWIEESQSA-N 302.337 2.929 50 40 DFGB C/C(=N\NC(=O)C(=O)Nc1ccc(F)c(Cl)c1)c1ccco1 5195681 LSVPEPPDVLYGOY-QGMBQPNBSA-N 323.711 2.551 50 40 DFGB N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc2c(c1)OCCO2 5156135 LPVSBISASCDJJB-UKTHLTGXSA-N 322.320 2.709 50 40 DFGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C\c1cccnc1 32701890 BLRIDBBUDYUETG-IPHDDYSGSA-N 303.749 2.653 50 40 DFGB O=C(Cc1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 559801 ZDSNGTHOKBXJSP-LICLKQGHSA-N 317.732 2.941 50 40 DFGB O=C(OCCCCl)[C@@H]1CC=CC[C@H]1C(=O)OCCCCl 1698715 CRCHGHQKJASMAS-VXGBXAGGSA-N 323.216 2.913 50 40 DFGB COc1cc(/C=C(\C#N)C(N)=O)ccc1Cc1cccc(F)c1 408874717 FRUYQBLHXKNLOO-OVCLIPMQSA-N 310.328 2.817 50 40 DFGB C=CCOc1ccc(/C=C(\C#N)C(=O)N2CCCC2)cc1OC 192556755 MJMQPAOSBOBEDJ-RVDMUPIBSA-N 312.369 2.789 50 40 DFGB CC1(C)C=C(CBr)c2cc(F)cc3c2N1C(=O)C3=O 575422448 LMSHRWNRQUFLNV-UHFFFAOYSA-N 324.149 2.926 50 40 DFGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(Cl)c1OC 16438258 DGAXUANGLMQLEV-KPKJPENVSA-N 320.776 2.887 50 40 DFGB O=C(NNC(=O)c1cc2ccccc2[nH]1)c1cc2ccccc2[nH]1 1654413 YEHAVWCDKXUSPK-UHFFFAOYSA-N 318.336 2.724 50 40 DFGB CCOc1ccc2oc(C(=O)NNC(=O)CC(C)C)c(C)c2c1 14182788 FVQJXOBSBYGMJL-UHFFFAOYSA-N 318.373 2.947 50 40 DFGB N#C[C@@H](C(=O)N/N=C/c1c[nH]c2ccccc12)c1ccccc1 409196856 RNTZMTKZXPTHJU-SVZNOHIVSA-N 302.337 2.925 50 40 DFGB CCN(C(=O)CCl)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 79392534 GTSMEMIOWCPCOG-NEPJUHHUSA-N 318.845 2.910 50 40 DFGB O=C(N/N=C/c1ccccc1Br)c1ccccn1 227906 PRVMMGONYICJRV-CXUHLZMHSA-N 304.147 2.608 50 40 DFGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OC)c1OCC 59334846 BZELIGVJEBVOMH-GDNBJRDFSA-N 314.385 2.818 50 40 DFGB CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)OC)c1C 16223647 UZUUGRSTJCZJBV-GULXKOIASA-N 318.373 2.527 50 40 DFGB CCCC(O)(CCC)C(=O)N/N=C/c1ccc(OCC)cc1 2304778 PLZRJFYATHARBP-QGOAFFKASA-N 306.406 2.867 50 40 DFGB Cc1cccc2cc(/C=N/NC(=O)c3ccccc3O)c(O)nc12 9345391 GFDNWPCVUHFXRK-VXLYETTFSA-N 321.336 2.718 50 40 DFGB O=C(N/N=C\c1ccco1)c1ccc2c(c1)OCC1(CC1)CO2 225369232 IIBCBBQTRIFINE-NVMNQCDNSA-N 312.325 2.595 50 40 DFGB Cc1cc(-n2c(C)cc(/C=C(\C#N)C(N)=C(C#N)C#N)c2C)no1 102228168 SHMADWIABZYUSV-MKMNVTDBSA-N 318.340 2.558 50 40 DFGB NNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 3193606 GVOVKOLKTUXWFW-UHFFFAOYSA-N 312.760 2.796 50 40 DFGB C/C(N)=C(\C#N)C(=O)COC(=O)C1CCC(C(C)(C)C)CC1 108973076 TVMAINZRCBCOIB-KAMYIIQDSA-N 306.406 2.707 50 40 DFGB COc1ccc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1C 409136477 RJSHJCLYSPSXOX-QGZVFWFLSA-N 323.396 2.734 50 40 DFGB C/C(=N\NC(=O)COc1c(C)cc(C)cc1C)c1ccncc1 408956656 RLVOEOUPXHHTCT-HMMYKYKNSA-N 311.385 2.926 50 40 DFGB O=C/C(=C\Nc1ccc2[nH]c(=O)[nH]c2c1)c1nc2ccccc2o1 335336 HXYCHRGPBNCDBJ-CSKARUKUSA-N 320.308 2.649 50 40 DFGB C[C@@H](Cl)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 13609378 GXONTHMGZIZQHG-SNVBAGLBSA-N 320.742 2.981 50 40 DFGB O=C(NNC1CCCCC1)C(O)(c1ccccc1)c1ccccc1 333583 CZFCBFXTQSWWRS-UHFFFAOYSA-N 324.424 2.876 50 40 DFGB CCOC(=O)c1c(NC(=O)CCl)sc2c1CCCC2=O 5002535 XNRZYXXWKAKULA-UHFFFAOYSA-N 315.778 2.621 50 40 DFGB COc1ccc(Br)cc1/C=N/NC(=O)CC(C)C 5384106 STCVTOXJHJQFRV-OVCLIPMQSA-N 313.195 2.954 50 40 DFGB C/C(CC(=O)Nc1ccc(C)cc1C)=N\NC(=O)c1ccccn1 4679886 RZMYKUQXDMCWSV-KGENOOAVSA-N 324.384 2.833 50 40 DFGB O=C(N/N=C\c1ccc(O)c([N+](=O)[O-])c1)c1ccccc1Cl 30809154 SEBZEIAXPFIUKC-PXNMLYILSA-N 319.704 2.718 50 40 DFGB Cc1cccc(N2CCN(C(=O)C(Cl)Cl)CC2)c1C 4090362 QCUFCKSDLZZPCA-UHFFFAOYSA-N 301.217 2.756 50 40 DFGB O=C(N/N=C/c1ccccc1Cl)[C@@H]1COc2ccccc2O1 13305471 FYZBDZZINUMYNE-UPAIAECRSA-N 316.744 2.630 50 40 DFGB CCCc1n[nH]c2c1[C@@H](c1cc(F)ccc1F)C(C#N)=C(N)O2 806434 SFYAFAQFJYVQOD-ZDUSSCGKSA-N 316.311 2.859 50 40 DFGB CCn1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c2ccccc21 6568611 JHMONLVQSLIUQP-HFQYIWAZSA-N 323.396 2.863 50 40 DFGB COc1cccc(/C(C)=N\NC(=O)c2ccc(N(C)C)cc2)c1 13111381 IXUKFOUQLSPSBE-UYRXBGFRSA-N 311.385 2.915 50 40 DFGB O=C(NN=C(c1ccccc1)c1ccccc1)c1ccc(O)nc1 10130026 OIBXGPIBEJAAFF-UHFFFAOYSA-N 317.348 2.970 50 40 DFGB O=C1c2ccccc2C(=O)[C@@H](Br)[C@@H]1Br 100988044 IUENYQQXKLYFBK-YUMQZZPRSA-N 317.964 2.593 50 40 DFGB Cc1ccccc1OCCOc1cccc(/C=C(\C#N)C(N)=O)c1 13943825 NSBQYRGMGPHMBM-LFIBNONCSA-N 322.364 2.845 50 40 DFGB N#C/C(=C/c1ccc([N+](=O)[O-])o1)C(=O)Nc1ccccc1F 408812066 BYJRSNWZTBHOHL-CLFYSBASSA-N 301.233 2.873 50 40 DFGB C=CCc1cc(/C=C(\C#N)C(=O)N[C@@H](C)CC)cc(OC)c1O 408803194 MGXLQATXPWXVGM-DGGAMASNSA-N 314.385 2.951 50 40 DFGB COc1ccc(OCC(=O)N/N=C(/C)c2ccc(C)cc2)cc1 35350928 PMSIPKAIMWWGRU-RGEXLXHISA-N 312.369 2.923 50 40 DFGB O=C(N/N=C\c1cccc(F)c1)C(=O)Nc1ccc(Cl)cc1 223150233 RULAJFJYZHECNV-NVMNQCDNSA-N 319.723 2.568 50 40 DFGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)OCO3)cc1 48011 YRVHVOYNUQWILQ-MDWZMJQESA-N 322.320 2.970 50 40 DFGB O=C(CCCCl)NC(=S)NC1C2CC3CC(C2)CC1C3 6293077 ZLVAIJYXSRRCCY-UHFFFAOYSA-N 314.882 2.821 50 40 DFGB CC1(C)CC(O)=C/C(=N\NC(=O)[C@@H]2COc3ccccc3O2)C1 103437934 JWTKZKLUBDZLRZ-LZNAANCOSA-N 316.357 2.561 50 40 DFGB CN(C(=O)CCl)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 100178142 ZHTLFWYGQPNWJP-PHIMTYICSA-N 304.818 2.520 50 40 DFGB CCn1c(C)nc2cc(C(=O)N/N=C/c3cccnc3)ccc21 3284500 NYTBVSZABRTZAQ-YBFXNURJSA-N 307.357 2.524 50 40 DFGB COCCOc1ccc2nc(NC(=O)[C@@H](C)Cl)sc2c1 20132106 PZUOPZOLGDRDQF-MRVPVSSYSA-N 314.794 2.887 50 40 DFGB CC1(CC(=O)N/N=C/c2ccc(C#N)cc2)SCCS1 38534951 PVMSAXMFUMTIEA-MHWRWJLKSA-N 305.428 2.595 50 40 DFGB C/C(=N\NC(=O)c1ccc(O)cc1)c1ccc(-n2ccnc2)cc1 5071392 CVZRUKWMPRMFDV-DEDYPNTBSA-N 320.352 2.732 50 40 DFGB CC(=O)Nc1ccc(NC(=O)N2CCSSCC2)cc1 95982976 GNXBVMBIXFUMHV-UHFFFAOYSA-N 311.432 2.874 50 40 DFGB Cc1ccc(C)c(OCCC(=O)NNC(=O)c2ccccc2)c1 5704511 DYFKXCMYXMUNHI-UHFFFAOYSA-N 312.369 2.534 50 40 DFGB COc1ccc(OC)c(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c1 409376584 ZTAOKGDEZXSRHD-LCYFTJDESA-N 324.336 2.955 50 40 DFGB CN(C(=O)CCl)C1CCC(NC(=O)OC(C)(C)C)CC1 79392486 ZHTLFWYGQPNWJP-UHFFFAOYSA-N 304.818 2.520 50 40 DFGB NNC(=O)Cc1csc(Nc2ccc(Cl)c(Cl)c2)n1 223450827 RGCHIAIBQYLAFQ-UHFFFAOYSA-N 317.201 2.726 50 40 DFGB O=C(N/N=C/c1ccco1)c1ccc(NC(=O)c2ccco2)cc1 6333958 ORKUQXLOBUCAFQ-WOJGMQOQSA-N 323.308 2.889 50 40 DFGB Cc1ccc(S(=O)(=O)N2CCC[C@H]2CBr)cc1 3110795 KPZUPCRCLVVZKQ-NSHDSACASA-N 318.236 2.543 50 40 DFGB CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=C\NNC(=O)c1ccccc1O 104821642 XVSVGDUDXXFFJQ-SZHSMQGVSA-N 314.385 2.536 50 40 DFGB Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C(\C#N)C(N)=O 3244326 ILDGQQZQVBDKDR-RMKNXTFCSA-N 321.167 2.880 50 40 DFGB N#C/C(=C/c1c[nH]nc1-c1ccc(Br)cc1)C(=O)O 3888130 IWGQCPLAUNRYJK-UITAMQMPSA-N 318.130 2.831 50 40 DFGB Cc1ccc(C(=O)N/N=C\C=C\c2ccccc2[N+](=O)[O-])cn1 4724811 MHPUMMFRQOBIGW-CDSSSQJSSA-N 310.313 2.727 50 40 DFGB C/C(=N\NC(=O)c1cccc(Br)c1)c1ccncc1 5621147 LXTOZGPBPGDWJR-LICLKQGHSA-N 318.174 2.998 50 40 DFGB O=C(N/N=C(\c1ccccc1)c1cccnc1)c1ccccn1 5680356 JTJCJLVNFIBJME-HEHNFIMWSA-N 302.337 2.659 50 40 DFGB O=C(CBr)c1cc(Br)cc2c1OCC2 4287686 NPGVDFRSCHXENE-UHFFFAOYSA-N 319.980 2.962 50 40 DFGB O=C(Cl)c1ccc(Cl)c(N2C[C@@H](C(=O)Cl)CC2=O)c1 100680299 RUKQUOMTOIVZQA-ZETCQYMHSA-N 320.559 2.837 50 40 DFGB COC(=O)c1ccccc1N/C=C1/C(=O)OC(=O)c2ccccc21 101871620 AJASBGAAUNWDPE-GXDHUFHOSA-N 323.304 2.623 50 40 DFGB O=C(N/N=C/C=C/c1ccccc1)c1cc([N+](=O)[O-])ccc1O 409047962 QEOZDOQHEHJKOL-CUQLSPFUSA-N 311.297 2.729 50 40 DFGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C/C=C/c1ccccc1 7003880 FYNLBKYEVOKEDW-KCHOUBKZSA-N 322.364 2.816 50 40 DFGB O=C(CCl)N[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 79392628 MUMYDKYDNWFAFS-UONOGXRCSA-N 324.808 2.579 50 40 DFGB COc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Cl)c1O 262992 KDFJCNGOIAAOAJ-QGMBQPNBSA-N 322.723 2.957 50 40 DFGB O=C(Cn1cnc2ccccc21)N/N=C/C=C/c1ccccc1 3095379 MIIJQDAEYIHGCN-XCHVBMRISA-N 304.353 2.852 50 40 DFGB CC[C@@H](NC(=O)NNC(=O)c1ccoc1C)c1ccc(C)cc1 32795441 MDJPERLEBZCKNN-OAHLLOKOSA-N 315.373 2.992 50 40 DFGB CSc1ncccc1C(=O)NNC(=O)c1ccc(Cl)cc1 515998 CQHXWNATZDSSCC-UHFFFAOYSA-N 321.789 2.532 50 40 DFGB COC(=O)c1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1 58159449 NEQCKIKRSMBOCM-RVDMUPIBSA-N 312.369 2.829 50 40 DFGB CCOC(=O)/C(=C\c1cccn1C)N1C=CC=CC1=C(C#N)C#N 257173078 CERILZVRCFXGOG-GZTJUZNOSA-N 320.352 2.616 50 40 DFGB O=C(Cl)c1cccc(S(=O)(=O)N2CCCCCC2)c1 11848455 WYFAWBLGMNVQMT-UHFFFAOYSA-N 301.795 2.630 50 40 DFGB C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 4363304 KPAJWYDGZZITBI-OXPNCTETSA-N 301.346 2.871 50 40 DFGB Cc1occc1C(=O)NNC(=O)N[C@@H](C)c1ccc(Cl)cc1 32795451 WQEKRIIUNOIBST-VIFPVBQESA-N 321.764 2.947 50 40 DFGB C/C(=N\NC(=O)c1ccc2nc[nH]c2c1)c1cccc([N+](=O)[O-])c1 4956535 JBGIECHKOFCVBU-VXLYETTFSA-N 323.312 2.625 50 40 DFGB CC[C@@H](C)n1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cn1 253406342 UKNPEHUTHCUOOO-BMIGLBTASA-N 312.373 2.669 50 40 DFGB COC(=O)[C@H](C#N)C1=C(C(SC)=C(C#N)C#N)CCCC1 5719922 MXSNHKMSNGBGRW-CYBMUJFWSA-N 301.371 2.834 50 40 DFGB COCCCNC(=O)/C(C#N)=C/c1c(OC)ccc2ccccc12 7165270 HMUVQCRVFZMYSH-NTCAYCPXSA-N 324.380 2.908 50 40 DFGB O=C(O)C12C[C@@H]3CC(C[C@H](C3)C1)[C@@H]2I 108424440 HZXLRVWAEPTHFW-IAACVSQYSA-N 306.143 2.701 50 40 DFGB CC(C)(C)OC(=O)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 3225824 GREMJMKCGMTLKT-MKMNVTDBSA-N 315.713 2.812 50 40 DFGB CCc1ccc(CC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)cc1 409363260 KZYHEHAKYUWRCL-PDGQHHTCSA-N 311.341 2.850 50 40 DFGB O=C(NC[C@H]1CCCCN1C(=O)CCl)OCc1ccccc1 79411786 WYSSUBBAAYZLGO-CQSZACIVSA-N 324.808 2.533 50 40 DFGB CNC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C 98054452 IDAIVCOHWMSICR-ZSOIEALJSA-N 324.340 2.655 50 40 DFGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(N)=O 52927 CZUKDYJWCLEQIC-WEVVVXLNSA-N 316.700 2.690 50 40 DFGB C/C(=N/NC(N)=O)c1ccc(Br)c2ccccc12 5566034 ZHEHDNCQUQNUMJ-PXNMLYILSA-N 306.163 2.995 50 40 DFGB O=C(CNc1ccccc1F)N/N=C/c1c(F)cccc1F 3250381 XPZYSJRKRAWTKH-DNTJNYDQSA-N 307.275 2.666 50 40 DFGB CCC(=O)Nc1ccc(C(=O)N/N=C/[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 105670270 RSRSUKQEJAHXKM-NTKFBQRTSA-N 311.385 2.963 50 40 DFGB CCCC/C(C)=N/NC(=O)C(=O)Nc1cc(C)ccc1OC 59434010 ZSDLGZJKYCKFMS-LDADJPATSA-N 305.378 2.624 50 40 DFGB O=C(N/N=C/c1c(F)c(F)c(F)c(F)c1F)c1cccnc1 2306088 GOBNCNDRIMWYBI-DENHBWNVSA-N 315.201 2.541 50 40 DFGB CCOc1cc2c(cc1/C=N/NC(=O)c1cccs1)OCO2 409089381 NIFQGVMHAXOKTI-LZYBPNLTSA-N 318.354 2.639 50 40 DFGB COc1cc(/C(C)=N/NC(=O)OC(C)(C)C)cc(OC)c1OC 5417686 JDWMRHWRIJLARN-LICLKQGHSA-N 324.377 2.961 50 40 DFGB O=C(Cc1ccc(F)cc1)N/N=C1/CC[C@H]2SCCS[C@@H]12 95460161 PQVBWWNRIJUWOG-KHWLQVBSSA-N 324.446 2.851 50 40 DFGB COc1ccc(/C=N\NC(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 33903119 PDAIBCRMSSHKNA-YVLHZVERSA-N 313.313 2.676 50 40 DFGB CCN(C[C@@H]1CCCCN1C(=O)CCl)C(=O)OC(C)(C)C 79390974 JSVVNWCBQCNWMW-LBPRGKRZSA-N 318.845 2.863 50 40 DFGB C[C@@H](Br)C(=O)NC1=C(C#N)[C@@H]2CCC[C@@H]2S1 4872049 HWZYDWHXBXTAKG-FJXKBIBVSA-N 301.209 2.537 50 40 DFGB COc1cccc(/C=C(\C#N)C(=O)n2nc(C)cc2C)c1OC 408978904 OKTZXGFZTDIFEQ-NTEUORMPSA-N 311.341 2.765 50 40 DFGB COc1cccc2cc(C(=O)N/N=C/c3cccc(O)c3)oc12 408970537 BBLICVVEEMFZIV-VCHYOVAHSA-N 310.309 2.911 50 40 DFGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(C)sc1C 814494 VXIHFTRBYNURRC-CYBMUJFWSA-N 304.371 2.620 50 40 DFGB C#CCOc1cccc(/C=N/NC(=O)c2ccc(OCC)cc2)c1 20764239 GRGGGHAVBFHNQP-XSFVSMFZSA-N 322.364 2.861 50 40 DFGB C/C(=N\NC(=O)CCC(=O)NCc1ccccc1)C(C)(C)C 4523931 JZOYVMVXJCDTDB-CPNJWEJPSA-N 303.406 2.621 50 40 DFGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1C(C)C 90070 MWPCIJANSMOIRZ-AWEZNQCLSA-N 312.369 2.957 50 40 DFGB O=C(N/N=C\c1ccc([N+](=O)[O-])o1)c1ccccc1-n1cccc1 4859642 ZFABSKIWHBYPGJ-BOPFTXTBSA-N 324.296 2.742 50 40 DFGB COc1cccc(/C=C(\C#N)C(=O)NCc2ccco2)c1OC 57395734 BSYLCLMOTPGCIJ-UKTHLTGXSA-N 312.325 2.520 50 40 DFGB Cc1n[nH]c2c1[C@H](c1ccc(OC(C)C)cc1)C(C#N)=C(N)O2 4631472 OJJRJALCOPUXJS-OAHLLOKOSA-N 310.357 2.724 50 40 DFGB COC(=O)[C@H]1C(O)=NC(SC)=C(C#N)[C@H]1c1ccccc1 8994832 ZIARVQKRSMDQFD-VXGBXAGGSA-N 302.355 2.628 50 40 DFGB O=C(N/N=C/c1c[nH]c2ccccc12)[C@H]1OCCc2ccccc21 26503699 BBENSFACUZURNO-IUOVYFEOSA-N 319.364 2.932 50 40 DFGB O=C(c1ccccc1)[C@H](Cl)[C@@H](SCCCl)C(=O)O 5601997 XHIFMOUXWQCECY-GXSJLCMTSA-N 307.198 2.902 50 40 DFGB Cc1ccc(C(=O)N/N=C2/C(=O)N(C(C)C)c3ccccc32)cc1 5928481 MECMBJHKVBKIOK-LVZFUZTISA-N 321.380 2.884 50 40 DFGB Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cccnc1 44369 YEJRFRFORDLHNG-UDWIEESQSA-N 319.368 2.648 50 40 DFGB Cn1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c2ccccc21 378512 AMLVKYONAMEFQP-UFFVCSGVSA-N 320.327 2.953 50 40 DFGB O=C(NCCBr)O/N=C1\CCCc2ccccc21 4982915 GJOHMWYFUDOJKH-FOWTUZBSSA-N 311.179 2.848 50 40 DFGB CCCc1n[nH]c2c1[C@H](c1ccsc1C)C(C#N)=C(N)O2 9088922 ZGUBQUIWHJBVMV-GFCCVEGCSA-N 300.387 2.950 50 40 DFGB O=C(COc1ccccc1-c1ccccc1)NNC(=O)C1CCC1 8348848 JHTORALXIHVSBO-UHFFFAOYSA-N 324.380 2.680 50 40 DFGB CSC1=Nc2ccccc2C2=NC[C@@H](CBr)N12 20405446 ZYZCMNNWRUIHLG-MRVPVSSYSA-N 310.220 2.876 50 40 DFGB O=C(N/N=C/c1ccc(N2CCOCC2)cc1)Nc1ccccc1 244402 MCMKGZUETALRHN-XMHGGMMESA-N 324.384 2.679 50 40 DFGB COc1ccc([C@@H]2[C@H]3CCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 42424 WCHAKJWMMRWZLX-DOTOQJQBSA-N 316.364 2.899 50 40 DFGB C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1cccnc1 93733 BLRIDBBUDYUETG-HPAYWCODSA-N 303.749 2.653 50 40 DFGB COc1cc(/C=N/NC(=O)OC(C)(C)C)cc(Cl)c1O 506822 NORRAZDTLAZKSE-VIZOYTHASA-N 300.742 2.913 50 40 DFGB N#C/C(=C\c1ccccc1F)C(=O)NCc1ccc2c(c1)OCO2 59133205 KTUWOELWUFKCJY-RIYZIHGNSA-N 324.311 2.778 50 40 DFGB Cc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c1 3166538 ANZPDFFUACCNQK-VCHYOVAHSA-N 315.760 2.737 50 40 DFGB O=C(Cc1ccccc1)NNC(=O)Cc1cccc2ccccc12 486627 HXZFGLDMIYRFEM-UHFFFAOYSA-N 318.376 2.772 50 40 DFGB CCCOc1ccc(/C=C(\C#N)C(=O)NCCCOC)cc1 23724288 VAXUXUZYVJHOON-NTCAYCPXSA-N 302.374 2.535 50 40 DFGB CN(NC(=O)CC[C@H]1Cc2ccccc2NC1=O)c1ccccc1 24927792 ZTYCXCQYDCKZLK-HNNXBMFYSA-N 323.396 2.745 50 40 DFGB C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OC)cc1 3169211 XGOJZDMDEUZNHU-DEDYPNTBSA-N 324.380 2.953 50 40 DFGB CCOc1ccc(/C=C(/C#N)C(=O)NC(C)C)c(OCC)c1 20176128 HUIYMADSEYHLKS-ZROIWOOFSA-N 302.374 2.916 50 40 DFGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)C1CCCC1 5578965 FABVROSFJGBGEN-UHFFFAOYSA-N 304.434 2.931 50 40 DFGB C/C(=N\NC(=O)c1n[nH]c2c1CCC2)c1ccccc1Cl 4981147 RMKFEBGTJLOLLR-RQZCQDPDSA-N 302.765 2.706 50 40 DFGB Cc1cccn2c(/C=C(\C#N)c3nc4cccnc4[nH]3)cnc12 98055991 ODVKZBMWAPYZQX-XYOKQWHBSA-N 300.325 2.978 50 40 DFGB C=CCOc1ccc(/C=N\NC(=O)COc2ccccc2)cc1 33787785 VMJPYDSVMJYLAB-UYRXBGFRSA-N 310.353 2.781 50 40 DFGB Cc1cc(OCC(=O)N/N=C/c2ccccn2)cc(C)c1Cl 345366 PIYSTDPNXXLFJY-DJKKODMXSA-N 317.776 2.881 50 40 DFGB C=CCc1cccc(/C=N\NC(=O)Cc2cccs2)c1O 12363663 LEJKBMZFOUZLQF-BOPFTXTBSA-N 300.383 2.875 50 40 DFGB Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2sccc2C)c1 59101701 BFCQPBWGXGFNAT-RQZCQDPDSA-N 315.398 2.762 50 40 DFGB O=C(Cc1c(F)cccc1Cl)NNC(=O)c1cccs1 6508943 PIVXZCSCFWSKDQ-UHFFFAOYSA-N 312.753 2.544 50 40 DFGB CC(=O)C1=C(C)NC(C(=C=N)C#N)=C(C#N)[C@@H]1c1ccccc1 33681671 DWZVAKZHLXUNHC-KRWDZBQOSA-N 302.337 2.713 50 40 DFGB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N/N=C/c1ccc(O)cc1O)C2 1448494 JDYRNBZSLPHWPF-JIHKLXRNSA-N 314.385 2.930 50 40 DFGB COc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(C)nc1 220865 UAPGRMPPIKKRJX-GIJQJNRQSA-N 303.749 2.816 50 40 DFGB O=C(N/N=C/c1cccc(Cl)c1)[C@@H]1COc2ccccc2O1 197760 YDVQZULIPVZRRI-UPAIAECRSA-N 316.744 2.630 50 40 DFGB N#C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)NC[C@@H]1CCCO1 802022 GCEHAGRESJNFQR-BCNIOPEESA-N 324.302 2.908 50 40 DFGB O=C(CBr)Nc1cccc(OC[C@H]2CCCO2)c1 35605169 ZMXQSZXTFVLEEL-GFCCVEGCSA-N 314.179 2.578 50 40 DFGB O=S1(=O)c2cccc3cccc(c23)N1CCBr 4207007 RFBNGWPBQUOUNT-UHFFFAOYSA-N 312.188 2.743 50 40 DFGB in-vitro COc1cc(OC)c(/C=N/NC(=O)c2ccncc2)cc1Cl 408585996 AFEBZTPYAKAYHS-GIJQJNRQSA-N 319.748 2.516 50 40 DFGB CC/C(=N/NC(=O)Cn1nc(C)cc1C)c1ccc(F)cc1 35800186 DTJGALXPWSRHEY-SDXDJHTJSA-N 302.353 2.570 50 40 DFGB CCCC(=O)Nc1ccc(N2C[C@@H](C(=O)Cl)CC2=O)cc1 45953834 YNZFTZCTPFZJPM-JTQLQIEISA-N 308.765 2.544 50 40 DFGB Cc1cccc2c1N=C(O)/C2=N\NC(=O)CCOc1ccccc1 60811592 OSOWMLVSNKLUFZ-UHFFFAOYSA-N 323.352 2.886 50 40 DFGB COC(=O)c1ccc(N/C=C(\C#N)C(=O)Nc2ccccc2)cc1 57413980 OHTIDXVDCBQQRX-WYMLVPIESA-N 321.336 2.931 50 40 DFGB O=C(NNC(=O)c1cccs1)c1cnc(Cl)c(Cl)c1 6788584 DHXHSGNLFUCIMM-UHFFFAOYSA-N 316.169 2.525 50 40 DFGB Cc1cccc(O[C@H](C)C(=O)N/N=C2/CCn3cccc32)c1C 96297774 NAKGBMJIVPVPCM-FJAMSSDQSA-N 311.385 2.796 50 40 DFGB Cc1ccc(/C=N\NC(=O)C(=O)Nc2cccc(Cl)c2C)o1 13546959 ZBBONLHGRSXJHK-IUXPMGMMSA-N 319.748 2.639 50 40 DFGB CCO[Si](CCCO[C@H]1CCCCO1)(OCC)OCC 575182262 PEGZNJKRPQIWOF-AWEZNQCLSA-N 306.475 2.968 50 40 DFGB CSc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1 16437432 NVEVNJFBHPHIKI-SSUFTNFISA-N 302.399 2.611 50 40 DFGB CC(C)(C)OC(=O)N1CCC(CC(=O)CBr)CC1 114695418 XYDJXFFRMCPJRH-UHFFFAOYSA-N 320.227 2.988 50 40 DFGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccnc2)[C@H]2CCCC=C12 19806039 SKHUSYJUUFUCRA-HOCLYGCPSA-N 301.353 2.675 50 40 DFGB O=C(O)c1ccc(/C=N\NC(=O)c2ccccc2Cl)cc1 32109246 KVPOPYGDAWRTLJ-MFOYZWKCSA-N 302.717 2.802 50 40 DFGB N#CCCn1cc(/C=C(/C#N)C(N)=S)c(-c2ccccc2)n1 3308157 NXBPNRFVIPVWKB-LCYFTJDESA-N 307.382 2.657 50 40 DFGB COc1cccc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)c1 78547616 HLTIWUUAMXMQRC-QGZVFWFLSA-N 322.320 2.642 50 40 DFGB CC(C)(C)OC(=O)N[C@@H]1CC[C@H](I)C1 223290830 GRNDJAZYGAFGDV-JGVFFNPUSA-N 311.163 2.867 50 40 DFGB ClC[C@H](Cl)COC[C@@H]1CO[C@@H]([C@@H]2C[C@H]3C=C[C@H]2C3)O1 254765096 VUNCFBMWHARXEN-QEHJDLSMSA-N 307.217 2.803 50 40 DFGB COc1cc(/C=C(\C#N)c2ccc(C)cc2)ccc1OCC(N)=O 560461 CDULTGROUZIZBY-CXUHLZMHSA-N 322.364 2.932 50 40 DFGB CSC1=NC=C(C#N)C2=N[C@@H](c3ccc(Cl)cc3)NN12 167991 MIHZRRJYOYOPOL-LLVKDONJSA-N 303.778 2.697 50 40 DFGB Cc1cc(/C=N/NC(=O)c2cccnc2)c(C)n1-c1ccccn1 9886755 KAZKXCACNPUJNN-CIAFOILYSA-N 319.368 2.648 50 40 DFGB CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(Cl)c1O 16438249 UTYJCPPFUNJEEZ-KPKJPENVSA-N 320.776 2.974 50 40 DFGB CCOc1cc(/C=N\NC(=O)c2ccc(F)cc2)ccc1OC 101796000 FJDONUIEHGACRE-ODLFYWEKSA-N 316.332 2.997 50 40 DFGB COc1ccc(OC)c(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)c1 5532094 GBZBGTJRTJTOPZ-UIPUUYQRSA-N 324.380 2.958 50 40 DFGB CN(C)c1ccc(/C=N/NC(=O)CSc2ccccc2)cc1 59153479 FYUCFHCYIFLEBJ-LDADJPATSA-N 313.426 2.995 50 40 DFGB N#CC1=C(S)N(c2ccccc2)[C@@H](c2ccccc2)NC1=O 4619742 SHGAPLGCSXZJMV-HNNXBMFYSA-N 307.378 2.987 50 40 DFGB O=C(O)[C@H](Br)Cc1cccc(Br)c1 225012312 FVLBFFJQQUIVKN-MRVPVSSYSA-N 307.969 2.840 50 40 DFGB CNC(=O)/C(C#N)=C/c1ccc(-c2ccc(C)c([N+](=O)[O-])c2)o1 83679 LFNOZCYLHFNRJZ-KPKJPENVSA-N 311.297 2.816 50 40 DFGB COc1ccc(/C=N/NC(=O)c2cccc(F)c2)cc1OC 58608 ZYLIIIWQWIOCRP-VCHYOVAHSA-N 302.305 2.607 50 40 DFGB CC(=O)NNC(=O)CSc1cccc2cccc(Cl)c12 46643190 TWHYNUPTYYFMAA-UHFFFAOYSA-N 308.790 2.753 50 40 DFGB NC(=O)[C@@H](c1ccccc1)N(C(=O)CCCl)c1ccccc1 2319331 GINGEFTUVDFSGU-MRXNPFEDSA-N 316.788 2.875 50 40 DFGB CN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@@H]1NC(=O)CCl 79408779 OTJWCHLUGYWWIY-WDEREUQCSA-N 304.818 2.520 50 40 DFGB COc1cccc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)c1 83295629 JJWOABYOXQKWCA-AMRJIULGSA-N 312.369 2.659 50 40 DFGB COc1ccc2ccccc2c1/C=C(\C#N)C(=O)N1CCOCC1 540195 CKCHIMUDNOLFPI-NTCAYCPXSA-N 322.364 2.614 50 40 DFGB O=C(NNC(=S)Nc1ccc(F)cc1)Nc1ccccc1 143213 ALHIWRKDDCLJTD-UHFFFAOYSA-N 304.350 2.849 50 40 DFGB CCCOc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1OC 2769914 AMCSWJXCLXAEEN-UKTHLTGXSA-N 300.358 2.670 50 40 DFGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(F)cc2)c1 566487 JDPKANXBUJUASU-VXLYETTFSA-N 300.333 2.972 50 40 DFGB N#C/C(=C\c1cccn1-c1ccccc1)C(=O)NC[C@@H]1CCCO1 520964 MHUYQTVJOWZLFO-XOVFHRFOSA-N 321.380 2.679 50 40 DFGB O=C(N/N=C/c1c(F)c(F)c(F)c(F)c1F)c1ccccn1 3313423 GMLAPKCRVOGGKN-DENHBWNVSA-N 315.201 2.541 50 40 DFGB O=C(Cc1ccccc1)N/N=C/c1c[nH]nc1-c1ccccc1 4354303 OBQRVSURQVYACO-XDHOZWIPSA-N 304.353 2.770 50 40 DFGB COCCCNC(=O)/C(C#N)=C/c1ccc(OC(C)C)cc1 44023911 ZZVUGDULQBKZKB-RVDMUPIBSA-N 302.374 2.533 50 40 DFGB NNC(=O)c1cc(Br)ccc1OCc1ccccc1 226319275 RVXBSRRYIUWNKK-UHFFFAOYSA-N 321.174 2.632 50 40 DFGB Nc1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 3149547 WHYIHJJCCSWOAI-RGVLZGJSSA-N 305.337 2.892 50 40 DFGB O=C(NCCBr)O/N=C1/CCCc2ccccc21 16952868 GJOHMWYFUDOJKH-VBKFSLOCSA-N 311.179 2.848 50 40 DFGB Cc1ccc(/C=N\NC(=O)CSc2nc(C)cc(C)n2)cc1 30742929 QGIHCFFPYPHCTL-MFOYZWKCSA-N 314.414 2.644 50 40 DFGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2O)[C@@H]2CCCC=C12 35185219 HRCPXAXVIQIBQS-DYVFJYSZSA-N 316.364 2.986 50 40 DFGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)O)cc2)c1 44867280 RIRLSCFFJWRNKD-ZROIWOOFSA-N 322.320 2.939 50 40 DFGB COc1cccc(N/C=C(\C#N)S(=O)(=O)c2ccccc2)c1 44842206 PCDWNYUAIWBGJC-FOWTUZBSSA-N 314.366 2.946 50 40 DFGB N#C/C(=C1/CCCCN1)S(=O)(=O)c1cc(Cl)ccc1F 98212081 UDORTZQADDZPJO-ACCUITESSA-N 314.769 2.761 50 40 DFGB O=C1c2cc(Br)c(F)cc2O[C@H]1Br 169797335 HEEQRFZSSWMGRV-MRVPVSSYSA-N 309.916 2.884 50 40 DFGB N#CC1=C(N)OC2=C(CCC[C@H]2O)[C@@H]1c1cccc(Cl)c1 125778 SUNPSVNZDLHGJS-KGLIPLIRSA-N 302.761 2.947 50 40 DFGB CCOC(=O)C1=C(C)NC(S)=C(C#N)[C@H]1c1ccsc1 183696 SHNWRXOMDDVJQH-GFCCVEGCSA-N 306.412 2.937 50 40 DFGB CCOc1cc(/C=N/NC(=O)CSC(C)(C)C)ccc1O 59167328 RIJNVTRITILYDC-CXUHLZMHSA-N 310.419 2.773 50 40 DFGB O=C(CCl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 3888939 ZBHZRRFNIURTET-UHFFFAOYSA-N 306.715 2.593 50 40 DFGB COc1ccc(/C=C(\C#N)C(=O)Nc2nccs2)c(OC)c1 7066371 LKZXRCHWZDEVQL-YRNVUSSQSA-N 315.354 2.706 50 40 DFGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)OCO3)c1 408762725 FXEJPHCBZODPNJ-NTUHNPAUSA-N 322.320 2.970 50 40 DFGB O=C1C=C(NNC(=O)CCc2ccccc2)C[C@@H](c2ccco2)C1 408751405 MTCFLEGLKPXBRM-OAHLLOKOSA-N 324.380 2.864 50 40 DFGB O=C(O)c1ccc(/C=N/NC(=O)c2ccc3ccccc3n2)cc1 36287768 DQIVKWNEVZQCJJ-YBFXNURJSA-N 319.320 2.697 50 40 DFGB O=C(/C=C/c1ccc(C(F)(F)F)cc1)NNc1ncccn1 97132008 VGAGOBMMQJSHDH-QPJJXVBHSA-N 308.263 2.652 50 40 DFGB CCO[Si](CCCO[C@@H]1CCCCO1)(OCC)OCC 575182263 PEGZNJKRPQIWOF-CQSZACIVSA-N 306.475 2.968 50 40 DFGB Cc1cc(C)nc(NNC(=O)c2ccccc2Br)n1 3213465 PEDGEEYZILBQCL-UHFFFAOYSA-N 321.178 2.613 50 40 DFGB Cc1cc2c(c(=O)n1C1CC1)[C@@H](c1ccccc1)C(C#N)=C(N)O2 2436535 DNOIVVSUVBNRCC-INIZCTEOSA-N 319.364 2.710 50 40 DFGB Cc1ccc(C)c(OCC(=O)N/N=C/c2cccc(O)c2)c1C 12859158 ZNLSLKWXYUNYQJ-VXLYETTFSA-N 312.369 2.847 50 40 DFGB CCCCCCO[S@@](=O)O[C@H](C)[C@H](Cl)C(=O)OCC 5249273 LAYWVHZTHSKSHC-FDMGOTLNSA-N 314.831 2.738 50 40 DFGB Cc1ccc(OCC(=O)N/N=C\c2cccc(C)c2O)c(C)c1 30760609 UCSVXFQDHXKURN-GRSHGNNSSA-N 312.369 2.847 50 40 DFGB CCOc1cc(/C=N\NC(=O)c2ccncc2)cc(Cl)c1O 39978034 JUUZBKQFNZWMHZ-NVMNQCDNSA-N 319.748 2.603 50 40 DFGB CC(C)N(Cc1ccccc1)C[C@H]1CCN(C(=O)CCl)C1 79414997 FHSNZIJDISKMCR-INIZCTEOSA-N 308.853 2.984 50 40 DFGB CC(=O)/C(C#N)=C1/NC(=O)[C@@H](Cc2ccc(C)c(Cl)c2)S1 13635874 STOJBCRSBMZIEX-LKKYZFDUSA-N 320.801 2.747 50 40 DFGB O=C(CCc1ccccc1)NNC(=O)c1ccccc1Cl 143231 AWVRFECFPPCOGJ-UHFFFAOYSA-N 302.761 2.734 50 40 DFGB CCC/C=N/NC(=O)c1ccc(C(=O)N/N=C/CCC)cc1 4855138 LITAVIDYAWMEIF-JYFOCSDGSA-N 302.378 2.718 50 40 DFGB CC(C)(C)NC(=O)c1cccc(NC(=O)CBr)c1 35605478 DMQNCRSZYAQVBY-UHFFFAOYSA-N 313.195 2.548 50 40 DFGB Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2ccc(F)cc2)c1 3043157 QHLVOBBKCNADNG-VXLYETTFSA-N 313.332 2.531 50 40 DFGB CCC/C(=N/NC(=O)CNC(=O)c1ccccc1)c1ccccc1 17041665 KPXWRAFFDLMJGV-FXBPSFAMSA-N 323.396 2.737 50 40 DFGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1c[nH]c2ccccc12 238926 JXESNBIABDNWPC-GIJQJNRQSA-N 308.297 2.840 50 40 DFGB C[C@@H](COc1ccc(Cl)cc1)OS(=O)(=O)CCCl 6437241 GYKONYDAIQVFQF-VIFPVBQESA-N 313.202 2.693 50 40 DFGB Cc1nc2sccn2c1C(=O)N/N=C/c1ccccc1F 58883767 SCCOPCYMRBRNNU-LZYBPNLTSA-N 302.334 2.607 50 40 DFGB COc1ccccc1/C=N/NC(=O)COc1ccc(C)cc1C 1281033 SDUCDHPBZPRTJG-YBFXNURJSA-N 312.369 2.841 50 40 DFGB CC(C)(C)CC(=O)N1CCC(=NNC(=O)C2CCCC2)CC1 60420954 ADFGLTDLINRPML-UHFFFAOYSA-N 307.438 2.707 50 40 DFGB CCCN1C(=O)/C(=N/NC(=O)c2ccccc2)c2ccccc21 96236085 FOVSUKIDLXHZMA-KNTRCKAVSA-N 307.353 2.577 50 40 DFGB Cn1cccc1/C=N/NC(=O)CNc1cccc2ccccc12 238113 UTNXQIIIVJUOPU-UDWIEESQSA-N 306.369 2.741 50 40 DFGB O=C(N/N=C/c1cccnc1)Nc1cc(Cl)nc(Cl)c1 162954 ACBXYSZXSMYZQA-FRKPEAEDSA-N 310.144 2.939 50 40 DFGB CC(C)Oc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1 247190 ZJVMJECGTSPSSC-OBHPCNEJSA-N 314.385 2.676 50 40 DFGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OC 66740 DABHSSCZWAQBMZ-KRWDZBQOSA-N 324.336 2.628 50 40 DFGB O=C(CCl)N[C@H]([C@@H]1CCCCC1=O)C(Cl)(Cl)Cl 4853367 CKHMIEINFVLYOP-HZGVNTEJSA-N 321.031 2.840 50 40 DFGB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)N/N=C\c1ccc(O)c(O)c1)C2 100261295 CSDRVEKUFJFQPS-JJNSHZMPSA-N 314.385 2.930 50 40 DFGB CCOc1ccc(C(=O)N/N=C/c2ccccc2OCC#N)cc1 20763775 IQZHZFSWIYHJIF-DEDYPNTBSA-N 323.352 2.752 50 40 DFGB C/C(=N/NC(=O)Cc1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1 408736987 FTCIWUIXZZZOQG-AQTBWJFISA-N 311.341 2.986 50 40 DFGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)NCCc1ccccc1 6222990 NAMJMCMKYDUPDY-YBEGLDIGSA-N 320.348 2.681 50 40 DFGB CCCCC[C@H](O)CCC(=O)NNC(=S)Nc1ccccc1 6077893 HYVJZUQGZPECNY-AWEZNQCLSA-N 323.462 2.726 50 40 DFGB CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](Br)CO2 10231839 OWIBUDVDBOTXOB-SNVBAGLBSA-N 320.227 2.940 50 40 DFGB COc1ccc(/C=C(\C#N)C(N)=O)c(OCc2cccc(C)c2)c1 408866322 DZGUPVNMMILGOY-CXUHLZMHSA-N 322.364 2.975 50 40 DFGB CN(C)c1ccc(-n2cccc2/C=N\NC(=O)c2ccco2)cc1 33326583 HSEJRCBPHAOJKS-UYRXBGFRSA-N 322.368 2.900 50 40 DFGB Cc1cccc(OCC(=O)N/N=C\c2ccc(N(C)C)cc2)c1 33284683 PFVRSUIRLIOBGD-UNOMPAQXSA-N 311.385 2.590 50 40 DFGB NC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 41213898 JJYMUXYTLYCEFQ-GIJQJNRQSA-N 303.749 2.921 50 40 DFGB O=C(N/N=C/c1ccc2ccccc2c1O)[C@@H](O)c1ccccc1 1410221 HWCQFFZLXBADGE-TYJAPOHBSA-N 320.348 2.729 50 40 DFGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2)[C@H]2CSCC=C12 23410400 RXTFAAXINIBMQQ-HOTGVXAUSA-N 318.405 2.843 50 40 DFGB O=C(Cc1ccc(F)cc1)N/N=C1/CC[C@@H]2SCCS[C@H]12 95460160 PQVBWWNRIJUWOG-DJQDXHMRSA-N 324.446 2.851 50 40 DFGB O=C(N[C@@H](C(=O)O)c1ccccc1)[C@H](Cl)c1ccccc1 1707432 VXCLLZXKVBNTBR-ZIAGYGMSSA-N 303.745 2.909 50 40 DFGB C/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1 33897669 NKOTVSSKRRDILS-AQTBWJFISA-N 311.341 2.986 50 40 DFGB COc1cccc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)c1 83295631 JJWOABYOXQKWCA-HNMKQIAWSA-N 312.369 2.659 50 40 DFGB CC(C)(C)OC(=O)N1CCC[C@@H](Cn2cc(CCl)nn2)C1 575415120 DTYXBQAPCMEXHO-LLVKDONJSA-N 314.817 2.664 50 40 DFGB Cc1ccsc1/C=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1 369969 CEYKIUXWGIRKDX-OQLLNIDSSA-N 303.343 2.658 50 40 DFGB NNC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1 115361 KJJINCUVXVILAA-UHFFFAOYSA-N 301.129 2.769 50 40 DFGB O=C(Cc1c[nH]c2ccccc12)N/N=C/c1ccc(C(=O)O)cc1 44867403 MOYUIWNGDXFHTR-KEBDBYFISA-N 321.336 2.559 50 40 DFGB CCOC(=O)NNC(=O)c1cc2c(s1)-c1ccccc1CC2 12607292 UQBVUQPJCBVEKO-UHFFFAOYSA-N 316.382 2.905 50 40 DFGB CCOc1ccc(/C=C(\C#N)C(=O)NC2CC2)c(OCC)c1 1019031 GNXRDXJHQGNAQS-UKTHLTGXSA-N 300.358 2.670 50 40 DFGB C/C(CC(=O)Nc1ccc(C)cc1)=N\NC(=O)c1ccccc1N 5363195 QSUBJZKAQKUDNJ-FYJGNVAPSA-N 324.384 2.712 50 40 DFGB CC[C@@H](Br)C(=O)Nc1ccc(C(=O)OC)cc1 61487838 DTJKGHATRZANBB-SNVBAGLBSA-N 300.152 2.585 50 40 DFGB COc1cc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@@]32C)ccc1O 1009410 QXRPAXQHBHNUDQ-LIMKSIAESA-N 302.374 2.677 50 40 DFGB CSc1ncc(/C=C/C(=O)NNc2ccc(C)cc2)cn1 107825060 JCTSGFSYJBLGBX-VMPITWQZSA-N 300.387 2.663 50 40 DFGB CCOc1cc(C(=O)N/N=C\c2cccc(O)c2)ccc1OC 409314420 RFUCUYRGMBSHTP-WQRHYEAKSA-N 314.341 2.563 50 40 DFGB COC(=O)c1ccc(/C=N/NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1 5526427 BTUTZQCSYLDOAN-MHENUPEQSA-N 322.364 2.727 50 40 DFGB CCSC1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)CC(=O)N1 9363633 XWPXQLYTIMPHDA-SNVBAGLBSA-N 302.355 2.507 50 40 DFGB O=C(Cc1ccc(F)cc1)N/N=C1/CC[C@H]2SCCS[C@H]12 95460159 PQVBWWNRIJUWOG-UATMBRFXSA-N 324.446 2.851 50 40 DFGB O=C(COc1ccc2ccccc2c1)N/N=C/c1ccncc1 3141897 KWBVZKCHQSDOPP-UDWIEESQSA-N 305.337 2.764 50 40 DFGB N#CC(C#N)=CN[C@H]1CCCc2c1cnn2Cc1ccccc1 32080787 MDULICWZGAHXKT-KRWDZBQOSA-N 303.369 2.829 50 40 DFGB O=C(N/N=C/c1cccc(O)c1O)c1cc2ccccc2cc1O 482871 QVJBIOZPWYCWDI-VXLYETTFSA-N 322.320 2.721 50 40 DFGB COc1ccc(OC)c(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@]23C)c1 100172157 NLJBFDQRIPHXFJ-CYZOCEDXSA-N 316.401 2.980 50 40 DFGB O=C(NNC(=O)c1ccccc1)N[C@H](c1ccccc1)C1CC1 45127801 JFYWSRDRVFJQDE-MRXNPFEDSA-N 309.369 2.782 50 40 DFGB CC1(C)[C@]2(C(=O)O)CC[C@@]1(C)/C(=N/NC(=O)c1ccco1)C2 16739562 CVIUSHARRRYTTR-BESUYIBZSA-N 304.346 2.666 50 40 DFGB CCN(C(=O)CCl)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 252517252 CXQZQPFYUXEBTP-HAQNSBGRSA-N 318.845 2.910 50 40 DFGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cnn(C2CCCC2)c1 253400188 KWOIUSZMRNNGPW-INIZCTEOSA-N 324.384 2.813 50 40 DFGB COc1cccc(/C=N/NC(=O)c2c(C)nc3cc(C)ccn23)c1 154331 VYZOAAINMJXPGD-YBFXNURJSA-N 322.368 2.724 50 40 DFGB C/C(CCc1ccccc1)=N\NC(=O)[C@H]1COc2ccccc2O1 8107971 WHBUZJHNTZXPBK-SQVRNEIYSA-N 324.380 2.951 50 40 DFGB N#CC1=C(N)Oc2[nH]nc(C(F)(F)F)c2[C@H]1c1cccs1 76425 YQVTWWXMZRSVKD-SSDOTTSWSA-N 312.276 2.708 50 40 DFGB Cc1cc(C)nc(NNC(=O)c2csc3c2CCCC3)n1 22233686 CLMKXCQAVUPOCE-UHFFFAOYSA-N 302.403 2.791 50 40 DFGB CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccncc1 58822406 MSHMBUBODBYGPO-VCHYOVAHSA-N 303.749 2.898 50 40 DFGB O=C(N/N=C/c1cnc2ccccc2n1)[C@H]1C[C@@H]1c1ccccc1 5528976 SVXPGYFMHDJNCH-RUHRPAAUSA-N 316.364 2.884 50 40 DFGB O=C(CCl)N(C[C@@H]1CCN(Cc2ccccc2)C1)C1CC1 79393757 KDKKSYHILNFNNN-OAHLLOKOSA-N 306.837 2.738 50 40 DFGB CC(=O)Nc1ccc(N/C=C2/C(=O)OC(=O)c3ccccc32)cc1 6905527 JNTANUINTIEKER-MHWRWJLKSA-N 322.320 2.795 50 40 DFGB O=C(NNC(=O)c1[nH]c2ccccc2c1Cl)c1ccccc1 46896995 SBEKVTVGBVQWKY-UHFFFAOYSA-N 313.744 2.896 50 40 DFGB Cc1ccc(OCC(=O)NNC(=O)Nc2ccccc2)cc1C 22091691 XWSVODKMFSNFBI-UHFFFAOYSA-N 313.357 2.535 50 40 DFGB CCN(CC)P(=O)(NC(=O)c1cccn1C)N(CC)CC 17595826 HCOUUKJRIMYTNJ-UHFFFAOYSA-N 314.370 2.547 50 40 DFGB O=C(O)c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1 3241945 UQKSMAWMZDUXML-RQZCQDPDSA-N 302.717 2.802 50 40 DFGB COc1ccccc1C(=O)NNC(=O)c1ccc2ccccc2c1 290032 UPEJIRQLMDMBES-UHFFFAOYSA-N 320.348 2.923 50 40 DFGB Nc1nc(SCc2ccccc2)c2ncn(CCCl)c2n1 1561644 VGUUZKDHSQUQAN-UHFFFAOYSA-N 319.821 2.940 50 40 DFGB Cc1ccc(COc2ccccc2-c2cc(C(=O)NN)[nH]n2)cc1 8550165 XKTBNVVGTRMPKF-UHFFFAOYSA-N 322.368 2.568 50 40 DFGB CCOC(=O)C1=C(C)C/C(=N\NC(=O)c2ccccc2O)CC1 12559204 MTJYKJBXBNDMKU-PDGQHHTCSA-N 316.357 2.542 50 40 DFGB O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1O 3471602 AXENJCRIWRFQGZ-ARCZGTBSSA-N 311.297 2.729 50 40 DFGB Cc1csc(/C(C#N)=C\c2ccc(OCC(=O)O)cc2)n1 97996080 UWCUCXFZYAMUJH-SDQBBNPISA-N 300.339 2.979 50 40 DFGB Cc1ccc(O)c(/C=N/NC(=O)COc2ccc(C)c(C)c2)c1 3023264 FIYXGGBLRQQYIV-VXLYETTFSA-N 312.369 2.847 50 40 DFGB CCOc1ccc(/C=N/NC(=O)c2cccnc2)cc1OCC 4702565 WVCBWUCNMBHVCV-YBFXNURJSA-N 313.357 2.643 50 40 DFGB CSc1nc(NNC(C)=O)c2c3c(sc2n1)CCCC3 554111 VBFSSRLCGDSEFC-UHFFFAOYSA-N 308.432 2.755 50 40 DFGB C#CCOc1ccc(OC)cc1/C=N/NC(=O)c1ccc(C)cc1 409360224 DKAWRAPJYSFTHN-DEDYPNTBSA-N 322.364 2.780 50 40 DFGB O=C(CCl)N(C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 79393758 ARNXIEASABXUFW-INIZCTEOSA-N 306.837 2.881 50 40 DFGB O=C1OC(=O)c2ccc(SC[C@H](O)CCl)c3cccc1c23 104160435 FUDHAJLYGCYFAU-MRVPVSSYSA-N 322.769 2.842 50 40 DFGB CCC[C@@H](C(=O)NN)N1c2cc(OC)ccc2[C@H](C)CC1(C)C 260619416 LDSIXLXEZFOPNG-DOMZBBRYSA-N 319.449 2.946 50 40 DFGB C/C(=N\NC(=O)Cc1c(O)n[nH]c1C)c1ccc2ccccc2c1 55983 FRTQJQBGMVOXDM-YBFXNURJSA-N 322.368 2.660 50 40 DFGB COC(=O)/C(C#N)=C/c1c(C)cc(C)c(COC(C)=O)c1C 63077 AHANFGDLOPXGEJ-VGOFMYFVSA-N 301.342 2.755 50 40 DFGB CC(=O)N/N=C(\C)CC(=O)Nc1cccc(C(F)(F)F)c1 100522919 HXHIAJJWBVYFLX-QGMBQPNBSA-N 301.268 2.546 50 40 DFGB CC(C)(C)c1ccc(/C=N/NC(=O)CN2CCCCC2)cc1 20243951 OGNZNYCAMIWMIO-CPNJWEJPSA-N 301.434 2.920 50 40 DFGB N#CC1=C(N)n2c(nc3ccccc32)N[C@H]1c1ccc(O)cc1 20086203 RCTRTKBRKMLACT-HNNXBMFYSA-N 303.325 2.560 50 40 DFGB CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2[C@@H](C)C(=O)NN 223830530 WNQWNQWXSSVQSY-NEPJUHHUSA-N 305.422 2.556 50 40 DFGB O=C(N/N=C/c1cccnc1)c1cccc(Br)c1 255844 QELZUCJUXBOUCA-CXUHLZMHSA-N 304.147 2.608 50 40 DFGB O=C(N/N=C/c1cc2c(cc1Cl)OCO2)c1ccc(F)cc1 2766311 FSKJWLSBSHYMQX-CNHKJKLMSA-N 320.707 2.972 50 40 DFGB O=C(NNC(=O)C1[C@H]2CCCC[C@H]12)Nc1cccc(Cl)c1 102251977 MWCZHKHFVINOGG-RYUDHWBXSA-N 307.781 2.929 50 40 DFGB CCc1cccc2c([C@H]3C(C#N)=C(N)Oc4n[nH]c(C)c43)c[nH]c12 8569513 OSBDLMCGFDLRAH-OAHLLOKOSA-N 319.368 2.980 50 40 DFGB O=C(CCc1ccccc1)N/N=C/c1cccc2c1OCCO2 409141837 JEBSCSUJFWAKHX-CPNJWEJPSA-N 310.353 2.541 50 40 DFGB COc1ccc(OC)c(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)c1 230291697 NLJBFDQRIPHXFJ-RXONHTAESA-N 316.401 2.980 50 40 DFGB CCOC(=O)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 15145030 PTKLPYPYLUYMCG-OQLLNIDSSA-N 303.274 2.935 50 40 DFGB O=C(CNc1ccc(F)cc1)N/N=C/c1c[nH]c2ccccc12 252175 NERHZDCSFCODHP-UFFVCSGVSA-N 310.332 2.869 50 40 DFGB Cc1ccc(CC(=O)N/N=C2\C(=O)Nc3c(C)cc(C)cc32)cc1 5730499 JMMUBHDZUJBQPF-UHFFFAOYSA-N 321.380 2.627 50 40 DFGB CN(C)c1ccc(/C=N/NC(=O)CSc2ccccc2)o1 409002264 SQMZWPSWEKCFGH-MHWRWJLKSA-N 303.387 2.588 50 40 DFGB COc1ccccc1/C=N/NC(=O)Cn1c(C)nc2ccccc21 139051 VUJZQHCOCWYCHA-YBFXNURJSA-N 322.368 2.504 50 40 DFGB COc1ccccc1/C=N\NC(=O)CC1(C)SCCS1 12402522 GDWYMTZRHDNQDK-GDNBJRDFSA-N 310.444 2.732 50 40 DFGB Cc1cccc(OCc2nnc(NC(=O)CCCl)s2)c1 4559074 KCVOEGBZCWSYIH-UHFFFAOYSA-N 311.794 2.993 50 40 DFGB Cc1ccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 6449217 OSQDNMJRIAJDNO-UHFFFAOYSA-N 312.413 2.972 50 40 DFGB O=C(Cl)[C@H](c1ccccc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 5014773 TZBCQSKYRYWHBG-XQQFMLRXSA-N 305.761 2.668 50 40 DFGB N#CC1=C(N)OC2=C(C(=O)OC2)[C@@H]1c1c(Cl)cccc1Cl 279066 RAGQDBQREMZGIK-JTQLQIEISA-N 323.135 2.612 50 40 DFGB COc1ccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c(O)c1 2742051 HFEGMBCWUFACSK-VCHYOVAHSA-N 318.760 2.747 50 40 DFGB COc1ccc(-n2cccc2/C=N\NC(=O)c2ccco2)cc1 408955035 VKCFXHHSUZBEKF-PDGQHHTCSA-N 309.325 2.843 50 40 DFGB N#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1 408797059 QUGYDMOXQXDVDP-SDNWHVSQSA-N 319.320 2.840 50 40 DFGB O=C(O)/C=C\C(=O)Nc1ccc(OC(F)(F)[C@H](F)Cl)cc1 4393332 GYQQNDDALGSLMJ-GZTOBOFZSA-N 323.654 2.772 50 40 DFGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1O 260332 YKJREGSLFZIFLE-RQZCQDPDSA-N 304.733 2.818 50 40 DFGB COc1ccc(/C=N/NC(=O)CSc2ccccc2)cc1 59166440 BDVFYBGURBHYPY-GZTJUZNOSA-N 300.383 2.938 50 40 DFGB CCCC1=C(C(=O)OCC)[C@H](c2ccco2)C(C#N)=C(N)O1 2205477 DKXWGEJLERNXJL-ZDUSSCGKSA-N 302.330 2.705 50 40 DFGB O=C(N/N=C/c1ccc(N2CCCC2)c(F)c1)c1cccnc1 409074141 YEBCCXWKSHPDDM-RGVLZGJSSA-N 312.348 2.585 50 40 DFGB Cc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2ccc(F)cc2)c1O 36236319 PMVLZHNWNCCJPM-IUXPMGMMSA-N 317.276 2.512 50 40 DFGB COc1ccc(/C=N\NC(=O)c2cn(C)c3ccccc23)cc1 33333562 GGCCJDYMQGFMMJ-ODLFYWEKSA-N 307.353 2.951 50 40 DFGB CCOc1ccc(C(=O)NN)cc1COc1ccccc1Cl 224474013 ZWIDMJROLYTBGM-UHFFFAOYSA-N 320.776 2.921 50 40 DFGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1ccc2c(c1)OCO2 1082133 QBUQMOZKMCJPKS-DJKKODMXSA-N 321.336 2.969 50 40 DFGB COc1ccccc1/C=C(/C#N)C(=O)Nc1cccc(C(=O)O)c1 6174902 GBOZIVLRTXKPQG-ZROIWOOFSA-N 322.320 2.939 50 40 DFGB N#C/C(=C/c1ccc2c(c1)OCCO2)c1nnc2n1CCCCC2 33670178 NBGISVBZAXPCCF-UVTDQMKNSA-N 322.368 2.840 50 40 DFGB C=CCn1c(SCC(=O)/C(C#N)=C(/C)N)nc2ccccc21 104461633 GLGBUVWNRKFEAO-QXMHVHEDSA-N 312.398 2.640 50 40 DFGB COc1ccc(NC(=O)/C(C#N)=C2\C(=O)Nc3ccccc32)cc1 408744955 ISHMRIQKJMQYET-PEZBUJJGSA-N 319.320 2.563 50 40 DFGB O=C(CSc1ccccc1)NNC(=O)c1cccc(Cl)c1 5065776 QTINRXMRMQGIGD-UHFFFAOYSA-N 320.801 2.893 50 40 DFGB C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(N(C)C)o1 408995965 CEYGRKXRMBOHMC-PBSOMRJOSA-N 317.414 2.977 50 40 DFGB CCOc1cc([C@@H]2CC(=O)NC(SCC)=C2C#N)ccc1O 8994967 RIIWFUFDUQJMPA-NSHDSACASA-N 318.398 2.883 50 40 DFGB COc1cccc(/C=N/NC(=O)c2cc3cc(OC)ccc3[nH]2)c1 5419194 UTTZGPXQAZLYFI-YBFXNURJSA-N 323.352 2.949 50 40 DFGB O=C(COc1cccc2cccnc12)N/N=C/c1ccsc1 409001943 RBZLFDQAYIDJCZ-GIJQJNRQSA-N 311.366 2.825 50 40 DFGB COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC)ccc32)c1 34004524 WKLKYONGSSJYLW-KRWDZBQOSA-N 308.337 2.922 50 40 DFGB COc1ccc(-c2csc(CCNC(=O)CCl)n2)cc1 1415189 OPXVWESDRQKZGD-UHFFFAOYSA-N 310.806 2.716 50 40 DFGB CCCC/C(C)=N\NC(=O)C(=O)NCc1ccc(Cl)cc1 59515681 ZXXNREMXNVTLMS-WQRHYEAKSA-N 309.797 2.639 50 40 DFGB N#CC(/C=C1\Nc2ccccc2C1=O)=C(/N)NC1CCCCC1 57290937 MCLAXLNSJMYDDV-KXDNKEIFSA-N 308.385 2.795 50 40 DFGB Cc1nn(Cc2ccccc2)c(Cl)c1/C=N/NC(=O)C1CC1 3576691 DQAQRHRJXXFGRU-GIJQJNRQSA-N 316.792 2.753 50 40 DFGB N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1 13892965 UYHCVYAEFVEMQP-ZSOIEALJSA-N 323.308 2.524 50 40 DFGB N#C/C(=C\c1c[nH]c2ccccc12)C(=O)NCc1ccccn1 6644367 AQWTWWIZZISSPD-UKTHLTGXSA-N 302.337 2.786 50 40 DFGB COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2ccccn2)c1 67190138 URJMVTKDZJEWRK-UKTHLTGXSA-N 309.325 2.644 50 40 DFGB Cc1ccc(NC(=S)/C(=N\NC(N)=O)c2ccccc2)cc1 68572223 WRQWROALHDPZFV-RGEXLXHISA-N 312.398 2.807 50 40 DFGB CCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)N1CCOCC1 409099001 REOLSFDTRDYFJT-LCYFTJDESA-N 320.776 2.504 50 40 DFGB COC(=O)[C@H]1C(O)=NC(SC)=C(C#N)[C@@H]1c1ccccc1C 1295090 MPJDCAKJXNMMEA-QWHCGFSZSA-N 316.382 2.936 50 40 DFGB CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/c2ccccn2)cc1 59514894 QTJXGMSZHRVKAJ-UDWIEESQSA-N 324.384 2.830 50 40 DFGB C[C@H]1CCCC/C1=N\NC(=O)Cn1ccc(C(F)(F)F)n1 13146216 IHNKRMACYOFFHF-LHEXSIKESA-N 302.300 2.584 50 40 DFGB CC[C@H](C)NC(=O)/C(C#N)=C/c1cc2c(cc1Cl)OCO2 408805773 LLXGVOUHLKBDIG-AXNBSVLLSA-N 306.749 2.890 50 40 DFGB O=C(N/N=C\c1ccc(N2CCCCC2)cc1)c1ccncc1 33337293 KZSJNJVZUOWOLX-ZHZULCJRSA-N 308.385 2.836 50 40 DFGB Cc1n[nH]c2c1[C@H](c1ccccc1OC(F)F)C(C#N)=C(N)O2 18137332 QPOCMCQHZLNBAL-GFCCVEGCSA-N 318.283 2.538 50 40 DFGB Cc1cc(Cl)ccc1OCC(=O)OCCBr 1719217 OKLBSDSVROYGGL-UHFFFAOYSA-N 307.571 2.965 50 40 DFGB COC(=O)c1c(NC(=O)CCCCl)sc2c1CCC2 4039537 LEZKEYMYVDGAAU-UHFFFAOYSA-N 301.795 2.981 50 40 DFGB COc1ccccc1C(=O)N/N=C\c1ccc(C)c([N+](=O)[O-])c1 408950670 HHORCCHYASXLOM-YVLHZVERSA-N 313.313 2.676 50 40 DFGB COc1ccc(/C=N/NC(=O)/C(=C/c2ccccc2)CCO)cc1 2238048 UPQLKJXDINBOCT-DVAGZOOOSA-N 324.380 2.611 50 40 DFGB CCOC(=O)/C(C#N)=C1/S[C@H](C)C(=O)N1c1ccc(C)cc1 15056991 XPCHGOBERLLDPV-QORHXFOUSA-N 316.382 2.762 50 40 DFGB CCOc1ccccc1[C@H]1C(C#N)=C(SC)NC(=O)[C@@H]1C#N 9088532 ACJTUEFXZGJJGH-BXUZGUMPSA-N 313.382 2.537 50 40 DFGB CCc1ccc2c(c1)/C(=N\NC(=O)c1cccc(C)c1)C(=O)N2 59472591 JJYIRKWDUIPZNL-UHFFFAOYSA-N 307.353 2.644 50 40 DFGB O=[N+]([O-])c1ccc(O[P@@](=O)(Cl)N2CCOCC2)cc1 103655151 NAYVUMVPONYZEA-IBGZPJMESA-N 306.642 2.653 50 40 DFGB O=C(CBr)Nc1ccccc1OC[C@H]1CCCO1 35605199 AGGKSVJEGVKIDI-SNVBAGLBSA-N 314.179 2.578 50 40 DFGB C=CCOc1ccc(/C=C(\C#N)c2n[nH]c(N)c2C#N)cc1OC 4067320 UMMDPFRRNTYWFJ-KPKJPENVSA-N 321.340 2.501 50 40 DFGB CC[C@@H](C(=O)NN)N1c2cc(OC)ccc2[C@@H](C)CC1(C)C 223203267 HACBCOPRWPMZBL-FZMZJTMJSA-N 305.422 2.556 50 40 DFGB CCC[C@@H](C(=O)NN)N1c2c(OC)cccc2C(C)=CC1(C)C 223221183 NKCDJEXPPWDGAM-AWEZNQCLSA-N 317.433 2.856 50 40 DFGB CCCOc1ccc(CCC(=O)N/N=C/c2ccncc2)cc1 2298999 PUJYRFIXWXSNTK-XSFVSMFZSA-N 311.385 2.953 50 40 DFGB O=C(COc1ccccc1)N/N=C/c1ccc(Br)o1 1449532 SGMPPKIENXUZLN-OVCLIPMQSA-N 323.146 2.571 50 40 DFGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1c(F)cccc1F 35323912 ADKATXHYLMKAAM-ZDUSSCGKSA-N 302.280 2.780 50 40 DFGB Cc1cccc(C(=O)Oc2ccc(/C=C(\C#N)C(N)=O)cc2)c1 5815252 MZFSIFWDWDBZOH-XNTDXEJSSA-N 306.321 2.607 50 40 DFGB CCc1ccc(OCC(=O)N/N=C\c2ccccc2OC)cc1 5247985 MQVJWGPEIMTJEE-UNOMPAQXSA-N 312.369 2.787 50 40 DFGB O=C(O)CCOc1ccc(N(CCCl)CCCl)cc1 1682294 AAVIPUSYYJOCPI-UHFFFAOYSA-N 306.189 2.824 50 40 DFGB O=C1Nc2ccc([N+](=O)[O-])cc2[C@]1(Br)CCCl 6884167 LECZMHZNXPXNCF-SNVBAGLBSA-N 319.542 2.766 50 40 DFGB COc1ccc(O)c(/C=C(\C#N)C(=O)Nc2ccccc2C#N)c1 536398 HLMMNMWRSKJKFV-RIYZIHGNSA-N 319.320 2.818 50 40 DFGB CC/C(=N\NC(=O)C1CC1)c1cc(Br)ccc1O 57606589 GSEFCOUBLTVYEP-RVDMUPIBSA-N 311.179 2.795 50 40 DFGB N#C/C(=C/c1c[nH]nc1-c1cccc(Br)c1)C(=O)O 3888089 OORPKZGJNPCQLH-WTKPLQERSA-N 318.130 2.831 50 40 DFGB COCCNC(=O)/C(C#N)=C/c1c(OC)ccc2ccccc12 192544565 FPVCKQFBCHFUHK-SDNWHVSQSA-N 310.353 2.518 50 40 DFGB CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(CCl)nn2)C1 575415053 MDUSPMNVTHVZRE-LLVKDONJSA-N 300.790 2.589 50 40 DFGB O=C(N/N=C/c1ccccc1)c1cncc(Br)c1 289396 QPOJFQGFXWNEPX-FRKPEAEDSA-N 304.147 2.608 50 40 DFGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccccc1 3658264 XURNITBECHYRQT-VCHYOVAHSA-N 315.760 2.737 50 40 DFGB N#C/C(=C/c1ccc2c(c1)OCO2)c1nnc2n1CCCCC2 3893053 IFAZMNGKRNQMIZ-JYRVWZFOSA-N 308.341 2.797 50 40 DFGB C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1ccncc1 4979270 FUWGVHZDVVOZMI-WOJGMQOQSA-N 303.749 2.654 50 40 DFGB CCOc1cc(C(=O)NN)ccc1OCc1ccc(C)cc1 216822502 AKLDGGXFPFMRDF-UHFFFAOYSA-N 300.358 2.576 50 40 DFGB CC(=O)/C(=N/N[C@H]1C(Cl)=CC=C[C@@H]1Cl)N1CCCCC1 96191871 JQWMUVYHEKJNMI-MVSRDAAHSA-N 316.232 2.633 50 40 DFGB COc1ccc(/C=N/NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 117883 TYYPDKUMNWGUSF-ONDHQXCVSA-N 312.369 2.921 50 40 DFGB Cc1cccc(C(=O)NNC2=CC(=O)C[C@H](c3ccco3)C2)c1 408751408 NPYWBYILFLJHJO-CQSZACIVSA-N 310.353 2.853 50 40 DFGB CCOc1ccc(C(=O)[C@@H](Br)CC(=O)O)cc1 36644020 DJSQUBHGHKBGEM-JTQLQIEISA-N 301.136 2.506 50 40 DFGB COc1ccc(C(=O)NN)cc1COc1cc(C)cc(C)c1C 224273177 HGKKRBMCPWKGSM-UHFFFAOYSA-N 314.385 2.803 50 40 DFGB COc1ccc(/C=N/NC(=O)c2ccc(F)cc2)c(OC)c1 253929 JQTZTNISJORPEE-VCHYOVAHSA-N 302.305 2.607 50 40 DFGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccco1 6286636 WHGDKKQNXHEAAA-UFWORHAWSA-N 311.263 2.861 50 40 DFGB COc1ccc(N/C=C(\C#N)C(=O)NCc2ccccc2)cc1 101192749 WMCIFTLDNLLWFU-FYWRMAATSA-N 307.353 2.831 50 40 DFGB COc1c(Br)cc(-c2ccccc2)cc1C(=O)NN 57339906 SDPSZWZSJWZCRC-UHFFFAOYSA-N 321.174 2.728 50 40 DFGB CNC(=O)/C(C#N)=C\c1ccc(Sc2nc3ccccc3[nH]2)o1 408777392 ZSNDIOWLNZERJO-NTMALXAHSA-N 324.365 2.960 50 40 DFGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccc(F)cc3)n2c1 408980316 QNHUVCAVFHGXFE-DJKKODMXSA-N 310.332 2.854 50 40 DFGB COc1ccc2[nH]c(C)c(/C=N/NC(=O)c3ccncc3)c2c1 499016 WQIDKSVMXUUXRH-VXLYETTFSA-N 308.341 2.644 50 40 DFGB CC(=O)C1=C(C)NC(S)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-] 4635079 XACCNCBCESNSLT-CQSZACIVSA-N 315.354 2.810 50 40 DFGB O=C(NN=C1CCCCCCC1)C(=O)Nc1ccc(F)cc1 59515735 PMAHBQDXHWFEEH-UHFFFAOYSA-N 305.353 2.981 50 40 DFGB COc1ccc(/C=N/NC(=O)c2cn(C)c3ccccc23)cc1 1297025 GGCCJDYMQGFMMJ-YBFXNURJSA-N 307.353 2.951 50 40 DFGB CCOC(=O)N/N=C(\C)c1ccc(Oc2ncccn2)cc1 4105216 VLIGBKFCZCKKCY-WOJGMQOQSA-N 300.318 2.739 50 40 DFGB COc1cccc(/C=N\NC(=O)Cc2ccc(F)cc2)c1OC 36223942 VYWIAXLXVUNVQQ-ODLFYWEKSA-N 316.332 2.536 50 40 DFGB NCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 44247337 HQPRUCFSEBOQEX-UHFFFAOYSA-N 306.369 2.939 50 40 DFGB O=C(N/N=C/c1ccccc1Cl)C(=O)Nc1cccc(F)c1 3151136 BJHXRVAQXWAANG-GIJQJNRQSA-N 319.723 2.568 50 40 DFGB CC(C)=NNC(=O)c1cc(Cl)nc(OCC(F)(F)F)c1 163258 JJWIJHZTRDWJNG-UHFFFAOYSA-N 309.675 2.802 50 40 DFGB O=C(O)CCSSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1626930 IGFLESIBGUALPH-UHFFFAOYSA-N 304.305 2.718 50 40 DFGB O=C(Cc1cn2ccsc2n1)N/N=C/c1c[nH]c2ccccc12 8643028 VDMGHINREKOLOY-GIJQJNRQSA-N 323.381 2.570 50 40 DFGB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N/N=C\c1ccc(O)c(O)c1)C2 36692392 CSDRVEKUFJFQPS-GATKTMFZSA-N 314.385 2.930 50 40 DFGB CC(C)CNC(=O)CC(=O)N/N=C\c1ccc(C(C)(C)C)cc1 83260995 YHUBAOTXKMZPMK-NDENLUEZSA-N 317.433 2.597 50 40 DFGB O=C(Cc1nc2ccccc2[nH]1)N/N=C/c1cc2ccccc2[nH]1 547666 QKBIXGBGZJWNFW-YBFXNURJSA-N 317.352 2.737 50 40 DFGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OC)c1O 33340225 OEPNFFDBBWGTHQ-ZSOIEALJSA-N 300.358 2.561 50 40 DFGB COc1ccc(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc1OC 230130933 SJSMAYIKPRLJRB-QCCQCULMSA-N 316.401 2.980 50 40 DFGB O=C(CN1CCC(Cc2ccccc2)CC1)NCCCCl 575421976 DMLMHAKMKAJSAR-UHFFFAOYSA-N 308.853 2.686 50 40 DFGB O=C(N/N=C/c1ccccc1Br)c1ccncc1 254443 CUHHRVJRPCXTDE-CXUHLZMHSA-N 304.147 2.608 50 40 DFGB CC1=C(C#N)[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)CC(=O)N1 14165603 YYDSZULXVQHQBZ-NSHDSACASA-N 323.274 2.578 50 40 DFGB Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccnc2)cc1C 6205656 JAGKHBWTBQJHOY-UDWIEESQSA-N 324.384 2.567 50 40 DFGB C=CCSC1=C(C#N)[C@H](c2cccc(OC)c2)CC(=O)N1 2158250 JBLFBTHCFDQUOD-ZDUSSCGKSA-N 300.383 2.953 50 40 DFGB O=C(NNC(=O)c1cc2ccccc2cc1O)c1ccc(F)cc1 6886181 ZYJVUFMBYPXYHS-UHFFFAOYSA-N 324.311 2.759 50 40 DFGB COc1ccc(/C(C)=N/NC(=O)c2ccccc2F)cc1OC 15938804 GSORKENDOSRNIE-YBFXNURJSA-N 316.332 2.997 50 40 DFGB CCC[C@H](C(=O)NN)N1c2cc(OC)ccc2C(C)=CC1(C)C 223220965 XDARTLHPVXSTDJ-OAHLLOKOSA-N 317.433 2.856 50 40 DFGB CC(=O)Nc1cccc(C(=O)N/N=C/c2c[nH]c3ccccc23)c1 253945 LCOTVQMHWWQDAM-RGVLZGJSSA-N 320.352 2.890 50 40 DFGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)C(N)=O 3570163 IONAMTQUYCMBFK-RVDMUPIBSA-N 314.348 2.932 50 40 DFGB O[C@H](CBr)C[n+]1cccc2cc(Cl)ccc21 6567635 JRVJZKRJRRJGBH-LLVKDONJSA-N 301.591 2.537 50 40 DFGB COc1ccccc1/C=N/NC(=O)c1cn(C)c2ccccc12 524543 GLRKANSHTYAVOF-YBFXNURJSA-N 307.353 2.951 50 40 DFGB COc1ccc(F)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1 535612 PLOKZXYZRZRVLP-OAHLLOKOSA-N 314.316 2.649 50 40 DFGB O=C(Cc1ccc2ccccc2c1)NNC(=O)c1ccccc1 8290298 LUOXAXBKAVQDSS-UHFFFAOYSA-N 304.349 2.844 50 40 DFGB C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 13953824 AAHKRVHPVYONNO-LICLKQGHSA-N 301.277 2.888 50 40 DFGB CC(C)NC(=O)ON1C(=O)c2ccccc2O[C@H]1CCCl 3079435 PBJDXODBMAGCNL-LBPRGKRZSA-N 312.753 2.526 50 40 DFGB C[C@@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1cccnc1 137746 KWBQIUGHCJVLIX-VDCVXVNISA-N 303.749 2.653 50 40 DFGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(C)s2)n1 20986458 WEXGPXOQUDPYHZ-VIZOYTHASA-N 320.443 2.706 50 40 DFGB N#C/C(=C\c1cccc(OCC(=O)O)c1)C(=O)Nc1ccccc1 408923468 IQLNUMHXJWRISA-NTEUORMPSA-N 322.320 2.696 50 40 DFGB O=C(N/N=C/c1ccc(F)s1)c1nc(-c2ccccc2)no1 252490037 KHSWFVGGRCGKQO-LZYBPNLTSA-N 316.317 2.701 50 40 DFGB N#Cc1ccc(OCC(=O)N/N=C/CCc2ccccc2)cc1 5862427 BLVDUMLYOWBDKY-UDWIEESQSA-N 307.353 2.672 50 40 DFGB Cc1ccccc1N1C(S)=C(C#N)C(=O)N[C@@H]1c1ccco1 4116945 VLIIQFSOLGSFLT-AWEZNQCLSA-N 311.366 2.888 50 40 DFGB Cc1ccc(C(=O)NNC(=O)CSc2ccccc2)cc1 5065819 GUNBIWNUZRZSFI-UHFFFAOYSA-N 300.383 2.548 50 40 DFGB N#C/C(=C\c1c[nH]c2ccccc12)C(=O)NCc1cccnc1 6644368 VBYUNQKQHVGCQY-RIYZIHGNSA-N 302.337 2.786 50 40 DFGB Cc1ccsc1/C=N\NC(=O)COc1cccc(N(C)C)c1 408995077 INUJLFOISQWBLI-YVLHZVERSA-N 317.414 2.652 50 40 DFGB O=C(N/N=C/c1ccc(N2CCCC2)c(F)c1)c1ccncc1 409092812 ZGLBZVFLQLFHPZ-UDWIEESQSA-N 312.348 2.585 50 40 DFGB C/C(=N\NC(=O)CSc1nc2ccccc2[nH]1)c1ccco1 12362358 IYPWYNLDQLWUIA-VCHYOVAHSA-N 314.370 2.788 50 40 DFGB Cn1cc(/C=N/NC(=O)CNc2ccccc2)c2ccccc21 43274 GFXICJMTNONZBW-RGVLZGJSSA-N 306.369 2.741 50 40 DFGB COc1ccc(C(=O)N[C@H](Cl)C(=O)c2ccccc2)cc1 53944042 AUCYKNCTQYVRJD-HNNXBMFYSA-N 303.745 2.873 50 40 DFGB N#C/C(=C\c1cccc2[nH]ccc12)C(=O)NCc1cccnc1 61718753 OYBCSYBMGDONLK-OQLLNIDSSA-N 302.337 2.786 50 40 DFGB CCn1cccc1/C=N/NC(=O)c1ccc(N2CCCC2)cc1 408676346 HONMJWKJVRPNQU-XMHGGMMESA-N 310.401 2.872 50 40 DFGB C/C(=N\NC(=O)CNc1ccccc1)c1cccc([N+](=O)[O-])c1 36289484 WKLHTKYSUNMMSL-LDADJPATSA-N 312.329 2.547 50 40 DFGB Cn1cc(C(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)c2ccccc21 33320552 YNYVXYLVZGNVGT-ZDLGFXPLSA-N 322.324 2.850 50 40 DFGB CCOC(=O)[C@@H]1C=C(C#N)O[C@@H](c2ccc(NC(C)=O)cc2)C1 4267481 XTTWCFITUWNQAE-CZUORRHYSA-N 314.341 2.693 50 40 DFGB biogenic CC(C)(C)OC(=O)N1CCCC[C@@H]1Cn1cc(CCl)nn1 575415077 AXDDPPAVJQZXIL-GFCCVEGCSA-N 314.817 2.807 50 40 DFGB Cc1cc(C(=O)NNC(=O)c2cc(C)oc2C)c2ccccc2n1 8346424 ZMHJDNJPRRDSPM-UHFFFAOYSA-N 323.352 2.828 50 40 DFGB N#CC(C#N)=CNc1ccc(O)c2c1C(=O)c1ccccc1C2=O 5224782 VLOMRPZKQSSXRK-UHFFFAOYSA-N 315.288 2.511 50 40 DFGB COc1ccccc1/C=N/NC(=O)CC1(C)SCCS1 38534955 GDWYMTZRHDNQDK-XNTDXEJSSA-N 310.444 2.732 50 40 DFGB O=C(CCl)N1OC[C@@H]2COc3ccc4ccccc4c3[C@@H]21 166439 UIBVDTANHAJVSU-MEDUHNTESA-N 303.745 2.902 50 40 DFGB N#CC(C#N)=Cc1ccc(Sc2nnnn2-c2ccccc2)o1 408992293 RHKDYNMWAIIGKE-UHFFFAOYSA-N 320.337 2.837 50 40 DFGB CC(C)=NNC(=O)c1c(C)nc2ccc(Br)cn12 408721229 MZHQOTJNWDQBRH-UHFFFAOYSA-N 309.167 2.531 50 40 DFGB C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)NN=Cc1ccc(O)cc1O)C2 251141728 JDYRNBZSLPHWPF-SCLBCKFNSA-N 314.385 2.930 50 40 DFGB CCOc1cc(/C=N/NC(=O)c2ccc(CC)cn2)ccc1O 3034549 BTVXWFJWESQALW-YBFXNURJSA-N 313.357 2.512 50 40 DFGB C/C(=N\NC(=O)C[n+]1ccccc1)c1cccc2ccccc12 5829317 HJZXBYLZMMWHFG-HMMYKYKNSA-O 304.373 2.668 50 40 DFGB CC1=C(C(=O)OC(C)C)[C@H](c2cccnc2)C(C#N)=C(S)N1 496088 WSYNPNAVOLJYKP-CQSZACIVSA-N 315.398 2.659 50 40 DFGB O=C(Nc1ccccc1)[C@@H](Br)C(=O)C(F)(F)F 257197876 LZLLBMGQXNQNPH-ZETCQYMHSA-N 310.069 2.520 50 40 DFGB CCOc1ccc(/C(C)=N/NC(=O)[C@@H](O)c2ccccc2)cc1 487388 AMMMMGRNARCHSW-AMRJIULGSA-N 312.369 2.659 50 40 DFGB N#CC1=C(N)OC2=C(CCC[C@H]2O)[C@H]1c1cccc(Cl)c1 125782 SUNPSVNZDLHGJS-ZIAGYGMSSA-N 302.761 2.947 50 40 DFGB C=CCc1cccc(/C=N/NC(=O)COc2ccccc2)c1O 4952305 ZMMQAKBJNIEGQZ-XDHOZWIPSA-N 310.353 2.650 50 40 DFGB C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1c(O)cccc1O 20195530 OYPINWYLTHFZRC-CPNJWEJPSA-N 312.369 2.798 50 40 DFGB CC(C)(C)C1CCC(=NNC(=O)C(=O)NC2CCCC2)CC1 59435582 HQZVDOJOYPIXEW-UHFFFAOYSA-N 307.438 2.754 50 40 DFGB N#CCC(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 59140223 BNCAKUFQRHBGJO-RGVLZGJSSA-N 311.316 2.768 50 40 DFGB O=C(OCCCl)n1c(=O)oc2cc(Br)ccc21 4785660 MRWIDWUZKTXGIL-UHFFFAOYSA-N 320.526 2.581 50 40 DFGB O=C(CN1CCCCC1)N/N=C/c1ccccc1C(F)(F)F 408719653 IZKBNHFULVAUMD-VXLYETTFSA-N 313.323 2.641 50 40 DFGB Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2sccc2C)c1 5744883 FHWYAXLTAQMOFL-RQZCQDPDSA-N 315.398 2.762 50 40 DFGB CCOC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1N1CCCC1 21269713 HHYSMOLVZVHLBO-UKTHLTGXSA-N 315.329 2.665 50 40 DFGB Cc1nn(C)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1 17030624 AWIBOJARXXQUDB-YRNVUSSQSA-N 300.749 2.928 50 40 DFGB Cc1occc1C(=O)NNC(=O)N[C@H](C)c1cccc(Cl)c1 32795445 BSBFPJBJMHJGGO-SECBINFHSA-N 321.764 2.947 50 40 DFGB CCOc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 59608 FCCFAPDJXIPZNF-GZTJUZNOSA-N 313.313 2.757 50 40 DFGB Cc1cc(C)nc(NNC(=O)c2cc3c(s2)CCCC3)n1 21127024 MNXDYARDJGYTSR-UHFFFAOYSA-N 302.403 2.791 50 40 DFGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)O 57395494 SYNWTYBNRYYHAX-ZROIWOOFSA-N 316.320 2.926 50 40 DFGB O=C(N/N=C/c1ccc(O)cc1)NC12CC3CC(CC(C3)C1)C2 4750936 DEJUNTRBMGIISC-YBFXNURJSA-N 313.401 2.994 50 40 DFGB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)NNC(=O)Cc2ccccc2)o1 16229347 XQZRPEIXIZPHTH-FSEJROPFSA-N 324.380 2.806 50 40 DFGB C/C(=N/NC(=O)c1ccncc1)c1cccc(Br)c1 231210 NCQUWYAKIXKZQA-YVLHZVERSA-N 318.174 2.998 50 40 DFGB CCN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](NC(=O)CCl)CC1 242750280 ZJSTZYSCQLURQR-HAQNSBGRSA-N 318.845 2.910 50 40 DFGB O=C1C=C(NNC(=O)c2ccccc2O)C[C@H](c2ccccc2)C1 268470 OLHHWUVTBAZPRL-AWEZNQCLSA-N 322.364 2.657 50 40 DFGB O=C1CCC/C(=N/NC(=O)c2ccccc2Br)C1 103457723 RTWXTPVIMYQSBA-DHDCSXOGSA-N 309.163 2.678 50 40 DFGB CNC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C 24234960 IDAIVCOHWMSICR-RIYZIHGNSA-N 324.340 2.655 50 40 DFGB CC(C)(C)c1[nH]nc2c1[C@@H](c1ccc(O)cc1)C(C#N)=C(N)O2 4597235 DRKUIIKHUAINHR-LBPRGKRZSA-N 310.357 2.631 50 40 DFGB COc1ccc(/C(C)=N/NC(=O)CSc2ccccn2)cc1 4869577 CLONWOZXMHSBKN-LDADJPATSA-N 315.398 2.723 50 40 DFGB COC[C@@H](C)NC(=O)/C(C#N)=C\c1cc2cc(F)ccc2o1 98013723 BQBUJVOPMWVDKI-VPMLRQHESA-N 302.305 2.630 50 40 DFGB CCOc1ccccc1/C=N/NC(=O)c1ccc(C#N)cc1F 408968555 XETONEZKFZWQCY-RGVLZGJSSA-N 311.316 2.860 50 40 DFGB CS(=O)(=O)[C@@H](Cl)[C@@H](O)c1ccc(Cl)cc1Cl 96518887 ZZPIOMPHJZBFLA-DTWKUNHWSA-N 303.594 2.636 50 40 DFGB NC(=O)N/N=C/c1cn(CCOc2ccccc2)c2ccccc12 5741136 BJUXLRPELAVKFQ-UDWIEESQSA-N 322.368 2.723 50 40 DFGB COc1cc(/C=N/NC(=O)[C@H](OC)c2ccccc2)ccc1C 58960 JMLJVYXVOHBBLD-MIQLPHMESA-N 312.369 2.841 50 40 DFGB COc1ccc(/C=N\NC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 100287360 BMGQICQXSXUJAE-MFOYZWKCSA-N 317.276 2.506 50 40 DFGB O=C(CCl)Nc1ccccc1C(=O)NCc1ccc(F)cc1 8732585 KCVLJUTVBVWHMM-UHFFFAOYSA-N 320.751 2.933 50 40 DFGB Cc1cccc(NC(=O)/C(C#N)=C2\C(=O)Nc3ccccc32)c1 408745483 SQNZMVYVTLMLBS-PEZBUJJGSA-N 303.321 2.863 50 40 DFGB C#CCOc1ccc(OC)cc1/C=N/NC(=O)c1cccc(C)c1 409267298 UNODYCDMRXTBGQ-DEDYPNTBSA-N 322.364 2.780 50 40 DFGB N#Cc1ccccc1C(=O)[C@@H](Br)CBr 307539311 UHJRBRBNHOQSRO-VIFPVBQESA-N 316.980 2.899 50 40 DFGB CC/C(C)=N/NC(=O)c1ccc(CSc2nncn2C)cc1 5164270 PUKRTLQLMLCVMT-GZTJUZNOSA-N 317.418 2.623 50 40 DFGB COc1ccc(/C=N/NC(=O)CC2(C)SCCS2)cc1 38534939 HTTHXCYZRWLHKH-XNTDXEJSSA-N 310.444 2.732 50 40 DFGB Cc1n[nH]c2c1[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 32506725 NUYKIYRBUGLBSQ-LLVKDONJSA-N 304.712 2.729 50 40 DFGB O=C(N/N=C/c1ccco1)c1ccc(Br)cc1O 126323 BDROKQGCKPSLJC-VGOFMYFVSA-N 309.119 2.512 50 40 DFGB O=C(N/N=C/c1cccc(Cl)c1)[C@H]1COc2ccccc2O1 197764 YDVQZULIPVZRRI-QANDDYDISA-N 316.744 2.630 50 40 DFGB O=C(CC(=O)NC1CCCCC1)N/N=C/c1ccc(Cl)cc1 335742 NARRSUAVZPAIHC-WOJGMQOQSA-N 321.808 2.629 50 40 DFGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(SC)cc1 59401 QCUZDLBWSWXIKI-CQSZACIVSA-N 316.382 2.663 50 40 DFGB O=C(N[C@@H](C(=O)O)c1ccccc1)[C@@H](Cl)c1ccccc1 1707434 VXCLLZXKVBNTBR-UONOGXRCSA-N 303.745 2.909 50 40 DFGB O=C(CCl)N1OC[C@@H]2COc3ccc4ccccc4c3[C@H]21 3883347 UIBVDTANHAJVSU-ZBEGNZNMSA-N 303.745 2.902 50 40 DFGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccccc2O)cc1 408817911 OIYSDWUZLGBSKX-GDNBJRDFSA-N 308.337 2.624 50 40 DFGB N#C/C(=C/c1ccc(Sc2ccccc2)o1)C(=O)NC(N)=O 409242844 WEWCYIZJIVRMAY-NTMALXAHSA-N 313.338 2.533 50 40 DFGB COc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)c(OC)c1 33721668 FIRPQQFEVUNSOQ-LCYFTJDESA-N 300.358 2.670 50 40 DFGB CCOc1cccc(/C=N/NC(=O)CNc2ccc(C)cc2)c1 47080886 LRDSRDWBECLABT-UDWIEESQSA-N 311.385 2.956 50 40 DFGB ClCC(CCl)OC[C@@H]1CO[C@H]([C@H]2C[C@H]3C=C[C@H]2C3)O1 254735841 ZHMYUXWEIVWJPA-ZMQVJYHMSA-N 307.217 2.803 50 40 DFGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(F)cc2)c1 581703 VFYCXBJHNNNWKJ-VCHYOVAHSA-N 302.305 2.607 50 40 DFGB CCOc1ccc(C(=O)NN)cc1COc1cccc(C)c1 224380342 CCWSEBMGXBUMCZ-UHFFFAOYSA-N 300.358 2.576 50 40 DFGB NNC(=O)Cc1csc(Nc2cc(Cl)cc(Cl)c2)n1 223450905 UBFOYTDFCZXGMN-UHFFFAOYSA-N 317.201 2.726 50 40 DFGB Cc1cc(C)nc(NNC(=O)c2ccc3[nH]c(C)c(C)c3c2)n1 11333565 SDGNEMPDGBPHOU-UHFFFAOYSA-N 309.373 2.948 50 40 DFGB CCc1ccc(CC(=O)N/N=C\c2ccc3c(c2)OCO3)cc1 409363765 NFCBQAGFVDJJLX-ODLFYWEKSA-N 310.353 2.671 50 40 DFGB O=C(NN=C1CCN(CCc2ccccc2)CC1)c1ccccn1 43905441 VZJZJDLUFGSSAT-UHFFFAOYSA-N 322.412 2.506 50 40 DFGB C/C(=N\NC(=O)OC(C)(C)C)c1ccc(-n2cncn2)cc1 8446023 CWKFBGLEVMTQLZ-WOJGMQOQSA-N 301.350 2.516 50 40 DFGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 5222524 MOMOQAXBOXGPIK-LICLKQGHSA-N 301.277 2.888 50 40 DFGB Cc1cc(C(=O)N/N=C/c2c(C)nc3sccn23)c(C)o1 3168280 JIPDSLHXLIXXDO-VIZOYTHASA-N 302.359 2.678 50 40 DFGB Cn1nc(CP(=O)(c2ccccc2)c2ccccc2)cc1O 3281442 SFXASINQBHHKKT-UHFFFAOYSA-N 312.309 2.640 50 40 DFGB O=C(Cc1ccccc1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 559799 KIWFGRDVDGPHHK-LICLKQGHSA-N 317.732 2.941 50 40 DFGB C/C(=N\NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)c1ccco1 12465975 ONSVPHBLHJQIGW-VCHYOVAHSA-N 312.304 2.963 50 40 DFGB C[C@H](Sc1ccc(Cl)cc1)C(=O)NNC(=O)c1ccco1 6509725 DEQGKFNGGHBGLO-VIFPVBQESA-N 324.789 2.875 50 40 DFGB CC(=O)N(C)c1cccc(NC(=O)/C(C#N)=C\c2ccco2)c1 73362890 CKNZCSJMWJQIDG-LCYFTJDESA-N 309.325 2.808 50 40 DFGB CC(=O)OC(=O)c1ccc2c(c1N=O)C(=O)c1ccccc1C2=O 68563127 VFWBBVDXRZAPFX-UHFFFAOYSA-N 323.260 2.563 50 40 DFGB COc1ccc(CC(=O)N/N=C(\C)c2ccc(OC)cc2)cc1 5638652 XAWUDYHVGKGSNR-CPNJWEJPSA-N 312.369 2.787 50 40 DFGB O=C(CCl)Nc1c(N2CCCCC2)c2ccccc2oc1=O 16525268 AOKIQNRAGAVRMM-UHFFFAOYSA-N 320.776 2.961 50 40 DFGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)c1ccoc1C 6933225 WKONCBQZAFWOMV-VCHYOVAHSA-N 324.340 2.552 50 40 DFGB C=CCOc1ccc(/C=N\NC(=O)Cc2ccccc2)cc1OC 33749590 XGGXMFOAPYPASZ-ZHZULCJRSA-N 324.380 2.953 50 40 DFGB COc1cccc2c1N([C@H](C(=O)NN)C(C)C)C(C)(C)C[C@@H]2C 260621827 PEHXGDXGBWKFFI-WFASDCNBSA-N 319.449 2.802 50 40 DFGB O=C(COc1ccc2ccccc2c1)N/N=C/c1ccccn1 346851 SEBDJMZMXXNSIR-UDWIEESQSA-N 305.337 2.764 50 40 DFGB Cn1cc([C@@H]2C[C@@H]2C(=O)NNc2ccccc2C(F)(F)F)cn1 68422343 WJDRUQNHCOOCFL-QWRGUYRKSA-N 324.306 2.686 50 40 DFGB O=C(CN1Cc2ccccc2C1)N/N=C/c1cccc(Cl)c1 409200338 KVYILXFTORQPRC-DJKKODMXSA-N 313.788 2.806 50 40 DFGB CC(C)[C@H](CI)NC(=O)OC(C)(C)C 32301853 XBOPXPWVPIOUTD-QMMMGPOBSA-N 313.179 2.971 50 40 DFGB CC(C)(C)OC(=O)NNC(=O)Cc1ccc2ccccc2c1 17398427 STTZWUONKYULMG-UHFFFAOYSA-N 300.358 2.938 50 40 DFGB O=C(CCSc1ccccc1)NNC(=O)c1ccccc1F 8275084 VPYYGJZRPYVKOM-UHFFFAOYSA-N 318.373 2.769 50 40 DFGB Cc1cccc(C(=O)NNC2=CC(=O)C[C@@H](c3ccco3)C2)c1 408751407 NPYWBYILFLJHJO-AWEZNQCLSA-N 310.353 2.853 50 40 DFGB CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)CC)cc1OC 5655220 LIWYEOOAJVYROJ-ZMTLZGASSA-N 302.374 2.916 50 40 DFGB CC(=O)Nc1cccc(C(=O)N/N=C/c2sccc2C)c1 5982087 VEXBQFMQFWTHTF-CXUHLZMHSA-N 301.371 2.779 50 40 DFGB O=C(NNC1=NC2(CCCC2)Cc2ccccc21)c1cccnc1 342567 UDEOTVWGZBMHRP-UHFFFAOYSA-N 320.396 2.632 50 40 DFGB Cc1ccc(C(=O)NNC(=O)CSCc2ccccc2)cc1 8354257 CZUURVHHFWLFPB-UHFFFAOYSA-N 314.410 2.689 50 40 DFGB O=C(Cl)[C@H]1CC(=O)N(c2ccc(N3CCCCC3)c(F)c2)C1 45958325 QIWCLXINVNHILC-NSHDSACASA-N 324.783 2.934 50 40 DFGB Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2ccccc12 17359259 IXJBBKYOFORIAE-UHFFFAOYSA-N 312.300 2.955 50 40 DFGB C=CCOc1ccc(/C=N\NC(=O)c2ccco2)cc1OC 58885288 ZAYYAHZINQCRPO-BOPFTXTBSA-N 300.314 2.617 50 40 DFGB CCOc1ccc(-c2cc(C(=O)NN)nn2-c2ccccc2)cc1 59472529 RRSCYYWTXNEBNC-UHFFFAOYSA-N 322.368 2.542 50 40 DFGB CCCCNC(=O)/C(C#N)=C\c1cc(Cl)c(O)c(OC)c1 96663430 FMTKGPYFHDESEL-WDZFZDKYSA-N 308.765 2.877 50 40 DFGB C/C(=N\NC(=O)COc1cccc(Cl)c1)c1ccc(N)cc1 5221927 IMWOLYLJSIXKBH-YBFXNURJSA-N 317.776 2.841 50 40 DFGB O=C(NNc1ncccc1[N+](=O)[O-])Nc1cccc(Cl)c1 20031196 QAURLWBFENAPDN-UHFFFAOYSA-N 307.697 2.792 50 40 DFGB COc1ccc(/C(C)=N/NC(=O)[C@@H]2CC23CCC3)c(OC)c1 4471649 QIJFAXWSXOUEQJ-BGARDKSCSA-N 302.374 2.734 50 40 DFGB CC[C@H](C)Oc1ccccc1/C=C(\C#N)C(=O)N1CCOCC1 408601236 JGHFZUQBNHHRCA-AOHITCTBSA-N 314.385 2.630 50 40 DFGB Nc1ccccc1C(=O)N/N=C\c1cc([N+](=O)[O-])ccc1Cl 4649295 XIOZXLYIIFDVEW-IUXPMGMMSA-N 318.720 2.594 50 40 DFGB COC(=O)c1ccccc1-c1ccc(/C=C(/C#N)C(N)=S)o1 2884801 ROAFVFBFZUWGKH-NTMALXAHSA-N 312.350 2.926 50 40 DFGB N#Cc1ccc(/C=N/NC(=O)CSCc2ccccc2)cc1 225040 NJCDTHUVEWMUOE-YBFXNURJSA-N 309.394 2.942 50 40 DFGB COc1ccc(Cl)cc1NC(=O)C(=O)NN=C1CCCCC1 59516316 XUTRWSFFBFUDHN-UHFFFAOYSA-N 323.780 2.723 50 40 DFGB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NNC(=O)c2ccccc2)o1 16200576 UBBUCPPRTLHPDX-HQBMLVTCSA-N 310.353 2.877 50 40 DFGB Cc1cccc(C(=O)NNC2=C(C(=O)C(F)(F)F)CCC2)c1 32100000 QFEJTSFGNVMNCY-UHFFFAOYSA-N 312.291 2.799 50 40 DFGB Cc1nn(CCCl)c(C)c1C(=O)NCc1ccc(F)cc1 75612113 GEJXFKHDUPPDKX-UHFFFAOYSA-N 309.772 2.808 50 40 DFGB CN(NC(=O)c1cccc(CCl)c1)c1ccc([N+](=O)[O-])cn1 4284761 XEDFFHDNCOKQQJ-UHFFFAOYSA-N 320.736 2.510 50 40 DFGB Cc1ccc(-c2cc(C(=O)NN)nn2-c2ccccc2C)cc1 408724292 JSITUHHLUFCXKR-UHFFFAOYSA-N 306.369 2.760 50 40 DFGB O=C1C=C(NNC(=O)CSCc2ccccc2Cl)CCC1 409178669 MNKWBMBHJNRRFI-UHFFFAOYSA-N 324.833 2.831 50 40 DFGB COC(=O)N[C@H]1CCC=CCC[C@@H]1I 17835470 PYBGGNVEOFVCKL-IUCAKERBSA-N 309.147 2.645 50 40 DFGB C[C@@H](NC(=O)C(=O)NN=C1CCCCCC1)c1ccccc1 4832420 MFDDKPXRWWRPTI-CYBMUJFWSA-N 301.390 2.690 50 40 DFGB COc1ccc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@]32C)c(OC)c1 100175415 ABXNPFIDBFQMEO-PJFATLCNSA-N 316.401 2.980 50 40 DFGB C#CCOc1ccc(/C=N/NC(=O)c2ccc(OCC)cc2)cc1 20764562 QGLBYQFLNVGVFP-XSFVSMFZSA-N 322.364 2.861 50 40 DFGB O=C(CCl)N1OC[C@H]2COc3ccc4ccccc4c3[C@@H]21 3883349 UIBVDTANHAJVSU-BDJLRTHQSA-N 303.745 2.902 50 40 DFGB COc1ccc(/C=N\NC(=O)c2cn(C)c3ccccc23)cc1O 33325826 NQOYXTDNILKNHL-GRSHGNNSSA-N 323.352 2.656 50 40 DFGB CCOC(=O)[C@H]1C=C(C#N)O[C@H](c2ccc(NC(C)=O)cc2)C1 4267482 XTTWCFITUWNQAE-BBRMVZONSA-N 314.341 2.693 50 40 DFGB biogenic N#C/C(=C/c1ccc(O)c(O)c1)C(=O)N1CCc2ccccc21 33350329 MYKCTDWWIWGLHW-ZROIWOOFSA-N 306.321 2.594 50 40 DFGB Cc1occc1C(=O)NNC(=O)N[C@H](C)c1ccc(Cl)cc1 32795450 WQEKRIIUNOIBST-SECBINFHSA-N 321.764 2.947 50 40 DFGB Cc1ccc(C(=O)N/N=C/c2ccccc2F)cc1[N+](=O)[O-] 5618287 WTRJTNCRMVDRIB-RQZCQDPDSA-N 301.277 2.806 50 40 DFGB NC(=O)N/N=C/c1ccccc1OCc1ccccc1Cl 13747758 SQJYPSVZVKTKIO-GIJQJNRQSA-N 303.749 2.921 50 40 DFGB Nc1ccc(C(=O)N/N=C\C=C\c2cccc([N+](=O)[O-])c2)cc1 4893885 KGTJWBGDOGMLEC-SFHDDKPDSA-N 310.313 2.606 50 40 DFGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)C1[C@H]2CCCC[C@H]12 105902564 DHBMXVUKGKAHII-SAFRMWJNSA-N 316.445 2.786 50 40 DFGB COc1cc(/C=N\NC(=O)Cc2cccs2)cc(Cl)c1O 28632481 FWWKDJPYYBIAJZ-PXNMLYILSA-N 324.789 2.809 50 40 DFGB CC(=O)Nc1ccc(C(=O)N/N=C(\C)c2ccc(O)cc2)cc1 5480085 CSIAJCRIMDRVTD-YBFXNURJSA-N 311.341 2.505 50 40 DFGB O=C(N/N=C/c1ccco1)C(O)(c1ccccc1)c1ccccc1 115058 XZIWXUVDWIGZDV-XSFVSMFZSA-N 320.348 2.666 50 40 DFGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OC(C)C 6827546 ZARCTBYCWREXHA-ZSOIEALJSA-N 302.374 2.914 50 40 DFGB N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)NCCc1ccccc1 1456689 NAMJMCMKYDUPDY-MHWRWJLKSA-N 320.348 2.681 50 40 DFGB NNC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 35666739 LSZVIHSOAWBTPN-UHFFFAOYSA-N 324.409 2.826 50 40 DFGB Cc1ccccc1[C@H](C)NC(=O)NNC(=O)c1ccoc1C 45128804 WMFJNNBIOYRNEG-NSHDSACASA-N 301.346 2.602 50 40 DFGB COc1ccc2cc(C(=O)N/N=C/c3ccccc3O)[nH]c2c1 2340761 RXOQIORPEYCHNJ-VCHYOVAHSA-N 309.325 2.646 50 40 DFGB CC(C)(C)OC(=O)N[C@H](Br)C(=O)OC(C)(C)C 75629725 RBGAAZPKHKBDGM-ZETCQYMHSA-N 310.188 2.574 50 40 DFGB COc1cc(OC)cc(C(=O)N/N=C/c2c[nH]c3ccccc23)c1 581119 LITGHQMHQMNRKG-RGVLZGJSSA-N 323.352 2.949 50 40 DFGB COC(=O)/C(C#N)=C\c1ccc(-c2ccccc2C(=O)OC)o1 205666943 XHUCLRQMHACFQI-LUAWRHEFSA-N 311.293 2.813 50 40 DFGB COc1ccc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@@]32C)cc1OC 4578178 SJSMAYIKPRLJRB-NAUUFFFRSA-N 316.401 2.980 50 40 DFGB Cc1ccc(OCC(=O)N/N=C/c2cc(Cl)ccc2O)cc1 431888 UEKRIFIYXXTNBU-GIJQJNRQSA-N 318.760 2.883 50 40 DFGB COc1cc(C)ccc1C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 478810 RHMFPHFHJNCDKN-LICLKQGHSA-N 313.313 2.676 50 40 DFGB Cc1ccc2[nH]c(C(=O)NNC(=O)CCc3ccccc3)cc2c1 4702668 LDLSCZKMQOMBIA-UHFFFAOYSA-N 321.380 2.870 50 40 DFGB CC1=C(C(=O)OC(C)C)[C@@H](c2cccnc2)C(C#N)=C(S)N1 20814092 WSYNPNAVOLJYKP-AWEZNQCLSA-N 315.398 2.659 50 40 DFGB COC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1ccco1 279095 ZUSXFZCVMQJIBO-AWEZNQCLSA-N 322.320 2.672 50 40 DFGB Cc1cc(C(=O)NN=C2CCN(C(=O)C(C)(C)C)CC2)c(C)o1 54864687 XHNLYXAVBHAOAQ-UHFFFAOYSA-N 319.405 2.651 50 40 DFGB C[C@H](Cl)C(=O)Nc1cccc(I)c1 20363151 YNVPHKCTBAAVRT-LURJTMIESA-N 309.534 2.857 50 40 DFGB C/C(=N\NC(=O)c1ccc(C)o1)c1ccc2c(c1)OCCO2 408586863 CRPRSIIYWUTDCJ-GZTJUZNOSA-N 300.314 2.513 50 40 DFGB COc1cc2c(cc1/C=C(\C#N)C(=O)Nc1ccccc1)OCO2 409066913 DGLQISJDXRVDCN-NTUHNPAUSA-N 322.320 2.970 50 40 DFGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])o2)cc1 408744689 GMSRSIWPLWKQND-NTMALXAHSA-N 313.269 2.742 50 40 DFGB Cc1c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cnn1C(C)C 253394194 ASGUVQLYHCBJIT-OAHLLOKOSA-N 312.373 2.587 50 40 DFGB CC(C)[C@H](Br)C(=O)Nc1cc([N+](=O)[O-])ccc1O 61997500 CZEJODLQFVTMID-JTQLQIEISA-N 317.139 2.658 50 40 DFGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/C=C/c1ccccc1 409171604 ASKSVWZSEZGEOC-XLWYYFMFSA-N 308.337 2.773 50 40 DFGB Cc1cccc(NCC(=O)N/N=C/c2ccc(N(C)C)cc2)c1 4746706 CNIILHLAIHNVEG-UDWIEESQSA-N 310.401 2.623 50 40 DFGB O=[N+]([O-])c1ccc(O[P@](=O)(Cl)N2CCOCC2)cc1 103655150 NAYVUMVPONYZEA-LJQANCHMSA-N 306.642 2.653 50 40 DFGB CCn1cccc1/C=N\NC(=O)CSc1ccc(OC)cc1 408931933 AAAFDYTZUUGPIR-BOPFTXTBSA-N 317.414 2.759 50 40 DFGB O=C(N/N=C(\c1ccccc1)c1ccccn1)c1ccccn1 5045025 UXCMIXNEKXSRDA-HEHNFIMWSA-N 302.337 2.659 50 40 DFGB Cc1cccc(/C=N/NC(=O)NC23CC4CC(CC(C4)C2)C3)n1 4878677 CHSVSQJLLMNNOT-YBFXNURJSA-N 312.417 2.992 50 40 DFGB C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1ccccn1 4979485 BPENIZQNTAOWRP-WOJGMQOQSA-N 303.749 2.654 50 40 DFGB O=C(NNC(=O)C(F)(F)F)C(c1ccccc1)c1ccccc1 5946601 VWORDURVBJWXBU-UHFFFAOYSA-N 322.286 2.528 50 40 DFGB CC(=O)Oc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1 409119461 PSUYGQXHLLOBGM-CPNJWEJPSA-N 310.353 2.695 50 40 DFGB O=C(CSc1ncccn1)N/N=C/c1c(F)cccc1Cl 171253 FIABGCACTKPDOW-CNHKJKLMSA-N 324.768 2.512 50 40 DFGB COc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1[N+](=O)[O-] 106586706 ZHILCLCLWSZATD-WQLSENKSSA-N 315.329 2.569 50 40 DFGB COc1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1O 3570400 BBAVDLWWKZVIQX-UKTHLTGXSA-N 300.358 2.757 50 40 DFGB O=C(CCC1CCCCC1)NNC(=O)c1ccc2c(c1)OCO2 8273451 CXHXWVJDUSRTAN-UHFFFAOYSA-N 318.373 2.537 50 40 DFGB Cn1cccc1/C=N/NC(=O)c1cccc(Br)c1 13844235 SAANVSWAOROIOM-OQLLNIDSSA-N 306.163 2.552 50 40 DFGB N#C/C(=C\c1c(F)cccc1Cl)C(=O)NC[C@H]1CCCO1 289078 YJYFVEDGIBIXDE-PFEDMVJOSA-N 308.740 2.681 50 40 DFGB CCOc1cccc(C(=O)NNC(=O)c2ccc(Cl)cc2)c1 568831 HASJAAQOFHYDKM-UHFFFAOYSA-N 318.760 2.814 50 40 DFGB C#CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1 2502650 QVFJHFRZOSHOSI-SFHVURJKSA-N 318.332 2.622 50 40 DFGB ClC[C@@H](Cl)COC[C@H]1CO[C@@H]([C@H]2C[C@H]3C=C[C@@H]2C3)O1 6185734 VUNCFBMWHARXEN-ZSOGLFGHSA-N 307.217 2.803 50 40 DFGB C[C@H](Cl)C(=O)NCCC(=O)Nc1cccc2ccccc12 8733114 JIQNTWOLRKNFIC-NSHDSACASA-N 304.777 2.912 50 40 DFGB C[C@H](Br)C(=O)NC1=C(C#N)[C@H]2CCC[C@H]2S1 547454 HWZYDWHXBXTAKG-LKEWCRSYSA-N 301.209 2.537 50 40 DFGB N#CCC(=O)N/N=C/c1ccc(OCc2ccccc2C#N)cc1 59140152 PPSJCNCHZCQVLI-CIAFOILYSA-N 318.336 2.501 50 40 DFGB CC/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1O 17052346 ICIXYJXPBWHHGU-SAPNQHFASA-N 313.313 2.845 50 40 DFGB COc1ccc(/C(C)=N/NC(=O)c2cccs2)cc1OC 5024419 AWWZTTZHEUVLEQ-MHWRWJLKSA-N 304.371 2.919 50 40 DFGB O=[N+]([O-])c1cccc(/N=C2\NC[C@@H](CBr)S2)c1 507857 BLUQFPZDFPZWAS-SECBINFHSA-N 316.180 2.682 50 40 DFGB CC1(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)OCCO1 59472842 FUWPLORCSAROHC-LZYBPNLTSA-N 317.172 2.597 50 40 DFGB Cc1cc(Cl)ccc1NC(=S)NNC(=O)c1cccnc1 1405709 SNEYJMIFOHEREN-UHFFFAOYSA-N 320.805 2.675 50 40 DFGB CC(C)(C)C(=O)C/C(=N/NC(=O)c1ccncc1)C(F)(F)F 6781293 SUZCOSIOBUYEEK-GRSHGNNSSA-N 315.295 2.735 50 40 DFGB COc1ccccc1C(=O)N/N=C(\C)c1cccc([N+](=O)[O-])c1 5494684 NJWQOXGIMRJNCN-GZTJUZNOSA-N 313.313 2.757 50 40 DFGB O=C(N/N=C/c1ccccn1)c1ccc(Br)cc1 263082 HVMRJFFCKYXQOK-CXUHLZMHSA-N 304.147 2.608 50 40 DFGB ClCCN(CCCl)CCCN(CCCl)CCCl 1683306 JNUUIIUTGBWUJG-UHFFFAOYSA-N 324.123 2.936 50 40 DFGB Cc1cc(C(=O)N/N=c2/c(=O)c3cccc4cccc2c43)c(C)o1 3234093 OSUDCNYVIFZQQQ-LVZFUZTISA-N 318.332 2.684 50 40 DFGB Cc1cc(C)c(NC(=O)CI)c(C)c1 72226299 HZHDEEVJHQWEGS-UHFFFAOYSA-N 303.143 2.985 50 40 DFGB CS(=O)(=O)[C@@H](Cl)[C@H](O)c1ccc(Cl)cc1Cl 96518885 ZZPIOMPHJZBFLA-RKDXNWHRSA-N 303.594 2.636 50 40 DFGB Cc1ccc(/C=N/NC(=O)CCn2cnc3ccccc32)cc1 45284 MZCKKZZTKJEMFY-UDWIEESQSA-N 306.369 2.885 50 40 DFGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(N)=O)c1C 107582931 FBZYHULLRJTELI-QGMBQPNBSA-N 320.780 2.758 50 40 DFGB CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCC#N)c(Cl)c1 59334138 GMNKJWILGMPQRR-YHYXMXQVSA-N 324.167 2.891 50 40 DFGB N#CSc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1 13253326 KLHRTVBIEGBPJT-OLZOCXBDSA-N 302.355 2.865 50 40 DFGB COC(=O)[C@@H]1C(O)=NC(SC)=C(C#N)[C@H]1c1ccccc1 8994834 ZIARVQKRSMDQFD-NEPJUHHUSA-N 302.355 2.628 50 40 DFGB Cc1ccc(CC(=O)N/N=C\c2ccc(C)c([N+](=O)[O-])c2)cc1 409366716 XQXWFNWBBAUTOY-WQRHYEAKSA-N 311.341 2.904 50 40 DFGB CC(C)(C)OC(=O)N1CCC[C@@H]1CI 72194496 QCETXLFSWJGTAZ-MRVPVSSYSA-N 311.163 2.821 50 40 DFGB O=C1c2ccc(Br)c(F)c2O[C@H]1Br 98210847 QEGCYHNZMPDYSY-MRVPVSSYSA-N 309.916 2.884 50 40 DFGB O=C(N/N=C/c1ccc(O)c(O)c1)c1ccccc1-n1cccc1 12524954 KQCJDIOCLOAGOO-XDHOZWIPSA-N 321.336 2.652 50 40 DFGB CCOC(=O)/C(C#N)=C1/S[C@@H](C)C(=O)N1c1ccc(C)cc1 15056988 XPCHGOBERLLDPV-VJSMGTLGSA-N 316.382 2.762 50 40 DFGB CCOc1ccc(/C=N/NC(=O)c2ccco2)cc1OCC 1698006 YDBOPLISJIQTJA-GZTJUZNOSA-N 302.330 2.841 50 40 DFGB CCCCN1C(=O)/C(=N/NC(=O)c2ccco2)c2ccccc21 100175904 DCOJWLIMDKBWQB-OBGWFSINSA-N 311.341 2.560 50 40 DFGB O=C(/C=C/c1ccccc1)NNC(=O)[C@H]1C[C@H]1c1ccccc1 5369224 RKPPRFRVLMQMAL-YFXCHKOLSA-N 306.365 2.651 50 40 DFGB CC(=O)/C(C#N)=C1/NC(=O)[C@H](Cc2ccc(C)c(Cl)c2)S1 13635876 STOJBCRSBMZIEX-WZMONFQBSA-N 320.801 2.747 50 40 DFGB CC(=O)Oc1cc(N(CCCl)CCCl)ccc1C(=O)O 1694653 RDELGFDMMIFMNG-UHFFFAOYSA-N 320.172 2.594 50 40 DFGB Cc1ccc(OCc2nnc(NC(=O)CCCl)s2)cc1 4160879 UKTIGZXPYGSNOV-UHFFFAOYSA-N 311.794 2.993 50 40 DFGB COc1ccc(C)cc1NC(=O)C(=O)NN=C1CCCCCC1 59434014 LIYUQVQWKVJPJF-UHFFFAOYSA-N 317.389 2.769 50 40 DFGB C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C\c1ccc([N+](=O)[O-])cc1 100921341 KPAJWYDGZZITBI-JDUSTHLWSA-N 301.346 2.871 50 40 DFGB C/C(=N\NC(=O)COc1ccc(C#N)cc1)c1ccc(C)cc1 5164419 ITWHSFDFYZIIOT-XSFVSMFZSA-N 307.353 2.786 50 40 DFGB N#C/C(=C\c1ccc(C(=O)O)cc1)C(=O)NCCc1ccccc1 5006526 WJGOAZWOFBPQDG-SFQUDFHCSA-N 320.348 2.651 50 40 DFGB N#C/C(=C/N1CCNC1=S)C(=O)c1ccc2ccccc2c1 8665254 DOIZNVFBSUQVLL-PTNGSMBKSA-N 307.378 2.620 50 40 DFGB in-vitro N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2)[C@@H]2CSCC=C12 23410402 RXTFAAXINIBMQQ-CVEARBPZSA-N 318.405 2.843 50 40 DFGB Cc1c(C(=O)N/N=C\c2ccc(O)cc2)sc(=S)n1C 28628638 KHFNCXASRHCESJ-AUWJEWJLSA-N 307.400 2.594 50 40 DFGB COc1ccc(C=NNC(=O)[C@H](C)Oc2cccc(C)c2)cc1 23397257 TYYPDKUMNWGUSF-AWEZNQCLSA-N 312.369 2.921 50 40 DFGB O=C(N/N=C/c1ccc(Br)o1)c1ccc(O)cc1 41223709 GAJIVWIQEPBKSI-VGOFMYFVSA-N 309.119 2.512 50 40 DFGB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)CBr 5715996 SUVXZTLARLVLOJ-VIFPVBQESA-N 308.216 2.890 50 40 DFGB O=C(N/N=C/c1ccc2ccccc2c1O)[C@H](O)c1ccccc1 1410223 HWCQFFZLXBADGE-BAOGCXAUSA-N 320.348 2.729 50 40 DFGB O=C(CBr)Nc1cccc(OC[C@@H]2CCCO2)c1 35605167 ZMXQSZXTFVLEEL-LBPRGKRZSA-N 314.179 2.578 50 40 DFGB COc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OC 28355635 NDLRNGGDVAUDEG-MHWRWJLKSA-N 322.364 2.927 50 40 DFGB CCOc1ccccc1/C=N/NC(=O)CNc1ccc(C)cc1 4739476 FLYXHMQJVHILHP-UDWIEESQSA-N 311.385 2.956 50 40 DFGB C[C@H](Cl)C(=O)N1CCC(Oc2cnc3ccccc3n2)CC1 90678293 OMJIYEBKYSBTDB-NSHDSACASA-N 319.792 2.627 50 40 DFGB CCOC(=O)[C@H](Br)P(=O)(OCC)OCC 40435393 JTMDGKZDQVZDKA-SSDOTTSWSA-N 303.089 2.537 50 40 DFGB COc1ccc(/C=C(\C#N)C(N)=O)cc1OCc1ccccc1 349855 MLQHNEIFQHAULW-OQLLNIDSSA-N 308.337 2.666 50 40 DFGB O=C(NN(Cc1ccccc1)Cc1ccccc1)c1cnccn1 9501329 URVPUHFPDMBHKY-UHFFFAOYSA-N 318.380 2.824 50 40 DFGB COC(=O)N/N=C/c1c(C)nn(Cc2ccc(F)cc2)c1Cl 3518626 WNFGLKUBPMHKIA-REZTVBANSA-N 324.743 2.722 50 40 DFGB N#C/C(C(N)=O)=C1\Oc2c(cc(O)cc2-c2ccccc2)S1 13618147 FFQUEVCWMIZVHX-VBKFSLOCSA-N 310.334 2.764 50 40 DFGB Cc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2C)cc1 4600248 GBQPOBYWPUOVEW-YBFXNURJSA-N 309.369 2.701 50 40 DFGB C#CCn1c(C)c(/C=N/NC(=O)c2ccco2)c2ccccc21 409369346 BFSQHAWJVIUKEN-XDHOZWIPSA-N 305.337 2.940 50 40 DFGB Cc1ccc2c(c1)/C(=C(\C#N)C(=O)Nc1ccccc1)C(=O)N2 39555994 SLADEVSOGHRGAN-PEZBUJJGSA-N 303.321 2.863 50 40 DFGB C[C@H](NC(=O)/C(C#N)=C\c1ccc(O)c(O)c1)c1ccccc1 3871435 UMGQVUWXNOJOSJ-ZENNRRHLSA-N 308.337 2.882 50 40 DFGB in-vitro CN1C(=O)[C@]23SS[C@]1(C)C(=O)N2c1ccccc1C3(C)C 104199683 RMFWVAHDWWKNMY-HUUCEWRRSA-N 320.439 2.590 50 40 DFGB COc1ccc(N/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1 44842211 DQIZDHKYFPVTTM-FOWTUZBSSA-N 314.366 2.946 50 40 DFGB O=C(N/N=C(\c1ccccc1)c1ccncc1)c1ccncc1 5515153 OQTPGXZDPLOKEF-HEHNFIMWSA-N 302.337 2.659 50 40 DFGB CC[C@@H](C)n1cc(/C=C(/C#N)C(=O)NC(N)=O)c2ccccc21 409228121 UIKAWXGFEZXBMT-HQQGHWSLSA-N 310.357 2.714 50 40 DFGB Cn1cccc1/C=N/NC(=O)CSc1ccc(Cl)cc1 409200800 JBYXDRMJXHKIGW-CXUHLZMHSA-N 307.806 2.921 50 40 DFGB O=C(CO)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 83300558 QMBBGHSETIAMFP-SOFYXZRVSA-N 313.140 2.696 50 40 DFGB O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Cl)ccc1O 83329343 QBXZAZWZWKBPEA-NVMNQCDNSA-N 306.724 2.878 50 40 DFGB COc1ccc(/C=N/NC(=O)[C@H](C)Oc2cccc(C)c2)cc1 117877 TYYPDKUMNWGUSF-BXUJETTOSA-N 312.369 2.921 50 40 DFGB COc1cccc(/C=N/NC(=O)COc2ccc(C)c(C)c2)c1 3023284 LGQSUHHJSPVOHX-YBFXNURJSA-N 312.369 2.841 50 40 DFGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1 2630290 IHYHCNYIXSIVJM-GXDHUFHOSA-N 322.320 2.939 50 40 DFGB biogenic COC(=O)[C@@H](C#N)C1=C(C(SC)=C(C#N)C#N)CCCC1 5719904 MXSNHKMSNGBGRW-ZDUSSCGKSA-N 301.371 2.834 50 40 DFGB Cc1cc2c(c(=O)[nH]1)[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 18123313 PMQGRQZSHFQCNO-CYBMUJFWSA-N 313.744 2.555 50 40 DFGB COc1cccc(/C=N/NC(=O)c2cccnc2)c1OC(C)C 4545324 KWCJHFIKSAKZCS-YBFXNURJSA-N 313.357 2.641 50 40 DFGB CCO[C@]1(c2ccccc2)C[C@H]1C(=O)N/N=C/c1ccc(C)o1 4520489 FRNHVSHWPZLNOZ-ZWILPSFYSA-N 312.369 2.990 50 40 DFGB C/C(=N\NC(=O)COc1ccc(Cl)cc1C)c1cccnc1 5535392 RSEDRTQDMXTZDC-XDHOZWIPSA-N 317.776 2.963 50 40 DFGB CCOc1cccc(/C=N/NC(=O)c2ccc(OC)cc2O)c1 409392052 NNYHVARJWUMDRI-WOJGMQOQSA-N 314.341 2.563 50 40 DFGB COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)OC(C)C 6364714 IZHSYDHRUOUIHA-WUXMJOGZSA-N 305.330 2.571 50 40 DFGB biogenic,in-vitro CCCOc1ccc(/C=N/NC(=O)c2ccncc2)cc1OC 2758372 SFKUMMJZTQEBNE-XDHOZWIPSA-N 313.357 2.643 50 40 DFGB O=C(/C=C/c1ccc(F)cc1)NNC(=O)c1ccc(Cl)cc1 512813 BIOWFZZBYBQPFO-XCVCLJGOSA-N 318.735 2.954 50 40 DFGB N#C/C(=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(N)=O 409336337 NOFZZZRFIYFWRJ-WEVVVXLNSA-N 316.700 2.690 50 40 DFGB CC(C)N(C(=O)CCl)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 79392548 JGBZRLFOASTHIB-GFCCVEGCSA-N 318.845 2.862 50 40 DFGB O=C(CCl)/N=c1/sccn1Cc1ccccc1Cl 100255434 PYEWRVJBQXWXNV-NTCAYCPXSA-N 301.198 2.917 50 40 DFGB Cc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)o1 573553 MESIXIVSZMTMMU-VIZOYTHASA-N 307.693 2.914 50 40 DFGB CCOC(=O)C1=C(C)NC(S)=C(C#N)[C@@H]1c1ccsc1 183700 SHNWRXOMDDVJQH-LBPRGKRZSA-N 306.412 2.937 50 40 DFGB Cc1ccc(N2C(S)=C(C#N)C(=O)N[C@@H]2c2ccco2)cc1 4116937 VFIRJYJMECEAGF-AWEZNQCLSA-N 311.366 2.888 50 40 DFGB N#CC1=C(N)Oc2n[nH]c(-c3ccncc3)c2[C@@H]1c1ccsc1 4166719 LDLCDSUXOQQJFQ-GFCCVEGCSA-N 321.365 2.751 50 40 DFGB O=C(CCSc1ccc(F)cc1)NNC(=O)c1cccs1 6451489 IOOVZOQNUQBTPI-UHFFFAOYSA-N 324.402 2.831 50 40 DFGB CCC1=C(C(=O)OC)[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O1 4652847 AEVWRXJYPCDMFG-CYBMUJFWSA-N 318.760 2.985 50 40 DFGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2O)cc1 33328472 KIZRNJHVBQIQEY-WQLSENKSSA-N 310.309 2.652 50 40 DFGB CC(C)c1[nH]nc2c1[C@H](c1ccc(N(C)C)cc1)C(C#N)=C(N)O2 5633523 MSXOOGATDJYDMX-CQSZACIVSA-N 323.400 2.817 50 40 DFGB Cc1[nH]c2ccccc2c1/C=N\NC(=O)c1n[nH]c2c1CCCC2 12372347 HXSYAPQUZCARQP-GRSHGNNSSA-N 321.384 2.842 50 40 DFGB N#CC1=C(N)Oc2cc([N+](=O)[O-])ccc2[C@H]1c1cccc(O)c1 483040 KSEGFJUAMDAVCA-OAHLLOKOSA-N 309.281 2.519 50 40 DFGB CC(C)c1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2)cc1 59386443 XCPMSROMUOWXMS-XDHOZWIPSA-N 309.369 2.899 50 40 DFGB COc1ccc(OCC(=O)N/N=C2/CCc3ccccc32)cc1 13144289 ZQLZSDDDVCYGEC-ZPHPHTNESA-N 310.353 2.541 50 40 DFGB Cc1cc(C)cc(NC(=O)NNC(=O)c2ccc(F)cc2)c1 8335793 OVSDZKRZMRGJPD-UHFFFAOYSA-N 301.321 2.909 50 40 DFGB Cc1ccc(C(=O)n2c(C)c(C(=O)NN)c3ccccc32)cc1 216950032 VCFSLECXRRUWFD-UHFFFAOYSA-N 307.353 2.550 50 40 DFGB O=C(Cc1coc2cc3c(cc12)CCC3)NNC(=O)c1ccoc1 61501576 QGLBVYSYXPCYEQ-UHFFFAOYSA-N 324.336 2.518 50 40 DFGB CCC[C@@H](C(=O)NN)N1c2ccc(F)cc2C(C)=CC1(C)C 223220776 PNSNQFKNKXFBKA-HNNXBMFYSA-N 305.397 2.986 50 40 DFGB O=C1c2ccccc2C(=O)N1c1ccc(CBr)cn1 95635388 IYAPUAGSQBZYRT-UHFFFAOYSA-N 317.142 2.777 50 40 DFGB COc1cc(Cl)c(/C=N/NC(=O)c2ccncc2)cc1OC 220871 DBPGSKBJFQLUQO-GIJQJNRQSA-N 319.748 2.516 50 40 DFGB CC(=O)Nc1ccc(C(=O)N/N=C/c2c[nH]c3ccccc23)cc1 258265 JOSAJJQPKQSFBO-RGVLZGJSSA-N 320.352 2.890 50 40 DFGB CC(C)COc1cccc(C(=O)NNC(=O)c2cccs2)c1 569150 LLVRRAUQJBWLNV-UHFFFAOYSA-N 318.398 2.858 50 40 DFGB CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1ccc(Cl)cc1Cl 100929816 CJXYKFZAGCKYQL-POHAHGRESA-N 322.151 2.786 50 40 DFGB COc1ccc(OC)c(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)c1 105410358 NLJBFDQRIPHXFJ-DMNIJGCISA-N 316.401 2.980 50 40 DFGB CC(C)(C)OC(=O)NNC(=O)c1cc(F)c(F)cc1Cl 3331543 VCWWIZUFGYSXBB-UHFFFAOYSA-N 306.696 2.788 50 40 DFGB C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)OC(C)(C)C 6585488 TWAWDDODDFZNDA-VIFPVBQESA-N 314.769 2.663 50 40 DFGB COc1ccc(/C=C(\C#N)C(N)=O)c(OCc2ccc(C)cc2)c1 408872491 FISGAOZKSBKVPW-CXUHLZMHSA-N 322.364 2.975 50 40 DFGB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Cl)cc1 4137131 CRDFPOWTMUIITI-SNVBAGLBSA-N 301.795 2.629 50 40 DFGB COc1ccc(O)c(/C=C(\C#N)C(=O)Nc2cccc(O)c2)c1 550120 FGWNDDFRILGQSA-KPKJPENVSA-N 310.309 2.652 50 40 DFGB Nc1ccccc1C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 368141 XIOZXLYIIFDVEW-CAOOACKPSA-N 318.720 2.594 50 40 DFGB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Cl)cc2)C1 4137140 VYXFZARMKJQGET-QWRGUYRKSA-N 315.822 2.732 50 40 DFGB CCc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)NC2CC2)cc1 5526035 KDGOVIPTRBKLPE-ZROIWOOFSA-N 306.369 2.825 50 40 DFGB COc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1C 409245093 NHJILZVASSAFPT-ODLFYWEKSA-N 300.333 2.836 50 40 DFGB COc1ccc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc1OC 408980144 VKGAWIQFZKGXOI-RIYZIHGNSA-N 311.341 2.765 50 40 DFGB CC(C)N(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)CCl 79392543 VJFNJTPITWGWGI-GFCCVEGCSA-N 318.845 2.862 50 40 DFGB COc1ccc(/C=N/NC(=O)C2[C@H]3CCCC[C@@H]23)c(OC)c1 18029408 GQVZIQXHUKCTKJ-GDGLTSPUSA-N 302.374 2.590 50 40 DFGB O=C(CC(=O)NC1CCCCC1)N/N=C/c1cccc(Cl)c1 5568578 IJVUHTBMDXTFOE-WOJGMQOQSA-N 321.808 2.629 50 40 DFGB C/C(=N\NC(=O)Cc1cccs1)c1ccc(C(=O)O)s1 373139 LWYYUXZUKZGFJR-RIYZIHGNSA-N 308.384 2.591 50 40 DFGB COC(=O)c1cc(Br)cc(CBr)n1 1857793069 BMEFMHIEAMGXEO-UHFFFAOYSA-N 308.957 2.526 50 40 DFGB Cc1occc1C(=O)NNC(=O)N1CCC[C@@H]1c1cccs1 53957853 NQADYVSPIVZQQS-GFCCVEGCSA-N 319.386 2.841 50 40 DFGB O=C(NNC(=O)c1ccc(Br)cc1)c1ccccc1 3157540 JVLIVVZYTDSKKC-UHFFFAOYSA-N 319.158 2.524 50 40 DFGB COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(N)=S)o2)cc1 408545071 YGHKDRHSSFKCIC-XYOKQWHBSA-N 312.350 2.926 50 40 DFGB FC(F)(F)[C@@H](Br)CI 1083806412 VWAPPAUIWGOXNY-REOHCLBHSA-N 302.859 2.747 50 40 DFGB C/C(N)=C(\C#N)C(=O)COC(=O)/C=C/c1ccc(C(C)C)cc1 104454166 SZVCIJQTQRIVRM-APSPGWEISA-N 312.369 2.692 50 40 DFGB Cc1cc2c(c(=O)[nH]1)[C@@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 18123315 PMQGRQZSHFQCNO-ZDUSSCGKSA-N 313.744 2.555 50 40 DFGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])cc1 409379557 XTHCFQDLGFWMLZ-ZROIWOOFSA-N 310.313 2.690 50 40 DFGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(OCC#N)cc2)n1 408977290 HZXDFXIDPHCXJP-XNTDXEJSSA-N 306.325 2.650 50 40 DFGB CC(C)(C)OC(=O)N1C[C@H](CBr)C(F)(F)C1 199921491 NDOCPWIURFRGGS-ZETCQYMHSA-N 300.143 2.884 50 40 DFGB CCCCCC(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1 13006550 BWZIUCOKOPJHPZ-UHFFFAOYSA-N 322.405 2.824 50 40 DFGB CC(=O)N/N=C(\C)c1ccc(OC(F)F)cc1OC(F)F 5444453 LKHLAWHSAXQFKQ-UBKPWBPPSA-N 308.231 2.750 50 40 DFGB Cc1cc(C(=O)NNC(=O)[C@H]2C[C@H]2C)c(C)n1-c1ccccc1 7738043 VGKWZJFZHJXQAW-ABAIWWIYSA-N 311.385 2.511 50 40 DFGB O=C(N/N=C\c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 28616276 RWPBLZCRDXPAKO-IUXPMGMMSA-N 302.717 2.833 50 40 DFGB NC(=O)N/N=C/c1ccccc1OCc1cccc(Cl)c1 33684682 HQCHGGNLKUPSNS-GIJQJNRQSA-N 303.749 2.921 50 40 DFGB COc1ccc(C(=O)N/N=C(\C)c2cccs2)cc1OC 5621100 GWWJIJDNFBOINO-MHWRWJLKSA-N 304.371 2.919 50 40 DFGB N#CC1=C(N)n2c(nc3ccccc32)N[C@@H]1c1ccccc1F 20086167 WUSRSDLBJWLLSI-OAHLLOKOSA-N 305.316 2.993 50 40 DFGB CC(C)CC(=O)NNC(=O)c1cccc2c3c([nH]c12)CCCC3 32795785 BGRAURUWCAPHRL-UHFFFAOYSA-N 313.401 2.854 50 40 DFGB O=C(C(=O)N(CCCl)CCCl)c1c[nH]c2ccccc12 1690678 KMWRSSZODJOVTE-UHFFFAOYSA-N 313.184 2.657 50 40 DFGB Cc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)cc1 59391837 OFEFWWDTSNQDSG-YBFXNURJSA-N 309.369 2.701 50 40 DFGB O=C([C@@H](Cl)c1ccc(Br)cc1)N1CCOCC1 4387780 DUOXJZPFYMDHMZ-NSHDSACASA-N 318.598 2.588 50 40 DFGB CC(=O)Nc1ccc(C(=O)N/N=C/c2sccc2C)cc1 493379 CWTBHHFUNRAHJR-CXUHLZMHSA-N 301.371 2.779 50 40 DFGB CN(C)c1ccc(/C=N\NC(=O)c2cccc3cc[nH]c23)cc1 31906052 CTOKMIQHFQQZTC-NDENLUEZSA-N 306.369 2.998 50 40 DFGB Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc(F)cc2)c1 3141785 GVWXCNZJVHNIKO-VXLYETTFSA-N 300.333 2.972 50 40 DFGB CCN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](NC(=O)CCl)CC1 100177889 ZJSTZYSCQLURQR-TXEJJXNPSA-N 318.845 2.910 50 40 DFGB COc1cccc(NC(=O)C(=O)NN=C2CCCCCCC2)c1 4698918 JMFXXBYXOAQEEV-UHFFFAOYSA-N 317.389 2.850 50 40 DFGB CC1CCN(c2ccc(/C=N/NC(=O)c3ccncc3)o2)CC1 409269018 CWTNPPVOABGELC-XDHOZWIPSA-N 312.373 2.675 50 40 DFGB CN(C(=O)CCl)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 79392494 RKNBZFQJIMKSEG-GHMZBOCLSA-N 304.818 2.520 50 40 DFGB ClCCN(CCCl)c1cccc(CN2CCOCC2)c1 1558097 GGNCVROISKASGP-UHFFFAOYSA-N 317.260 2.803 50 40 DFGB N#C/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1 6829513 CSKUZSNPFFRLOP-DHDCSXOGSA-N 307.309 2.818 50 40 DFGB O=C(Cn1cnc2ccccc21)N/N=C1/CCCc2ccccc21 33503787 PKXLRJCENKCTME-PGMHBOJBSA-N 318.380 2.893 50 40 DFGB O=C(C#Cc1ccccc1)[C@H](Br)CBr 306510750 DMKKOCJMISJJIY-SNVBAGLBSA-N 315.992 2.766 50 40 DFGB C=CCc1cc(/C=C(\C#N)C(=O)N[C@H](C)CC)cc(OC)c1O 408803195 MGXLQATXPWXVGM-KMHUVPDISA-N 314.385 2.951 50 40 DFGB CCN(C[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)CCl 79393719 SLFIRRDFCVWVNB-MRXNPFEDSA-N 308.853 2.986 50 40 DFGB O=C(O)[C@H](Br)Cc1ccc(Br)cc1 225012412 QMSMCUMJLQUQEA-MRVPVSSYSA-N 307.969 2.840 50 40 DFGB CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)CC#N)cc1OC 8197662 JTHYGXICLNFLIA-NTOSSWPYSA-N 323.780 2.890 50 40 DFGB O=C1[C@H]2C[C@@H](Cl)CN2C(=O)N1c1cccc(C(F)(F)F)c1 3125701 GKCZUFDGCLUNRE-PSASIEDQSA-N 318.682 2.854 50 40 DFGB O=C1c2ccccc2C(=O)[C@H](Br)[C@H]1Br 100988048 IUENYQQXKLYFBK-HTQZYQBOSA-N 317.964 2.593 50 40 DFGB O=C(O)[C@H](Br)Cc1ccccc1Br 82238080 SFVUITHOVMQZHP-MRVPVSSYSA-N 307.969 2.840 50 40 DFGB NC(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 222965 VBDQUEGODJKAKP-GIJQJNRQSA-N 303.749 2.921 50 40 DFGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccsc1 567406 LVLPFKYSVTXXIL-VGOFMYFVSA-N 321.383 2.899 50 40 DFGB CCCCC[C@@]1(C(=O)OCC)C[C@@H](CBr)OC1=O 2364852 MMPLXLHAFDUXKL-GWCFXTLKSA-N 321.211 2.827 50 40 DFGB O=C(CCBr)OC[C@@H]1CCCN2CCCC[C@H]12 4027717 FKJQCTBFDDVHFK-NWDGAFQWSA-N 304.228 2.579 50 40 DFGB biogenic C[n+]1cccc(/C=N/NC(=O)CC23CC4CC(CC(C4)C2)C3)c1 5447195 KLIMHKWADVGJPJ-UDWIEESQSA-O 312.437 2.568 50 40 DFGB N#C/C(=C\c1ccc2c3c(cccc13)CC2)C(=O)N1CCOCC1 408767398 WZIQKQPSERFYHY-SFQUDFHCSA-N 318.376 2.704 50 40 DFGB C/C(=N\NC(=O)CN1CCCc2ccccc21)c1ccc(O)cc1 96708614 XTGXSJJABOVFLM-XSFVSMFZSA-N 323.396 2.685 50 40 DFGB N#C[C@@H](C(=O)N/N=C/C1=Cc2ccccc2OC1)c1ccccc1 98086806 FMIDWRMKLZBPCT-KKJJZKEWSA-N 317.348 2.872 50 40 DFGB CCOc1cc(/C=N/NC(=O)c2ccc(C)o2)ccc1OC 573535 YEUMDBVJNIBHNX-LICLKQGHSA-N 302.330 2.759 50 40 DFGB [C-]#[N+][C@H](CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C)cc1 165815402 IBDYNNWRGLGAGR-ZDUSSCGKSA-N 309.387 2.746 50 40 DFGB ClCCN(CCBr)Cc1ccc2c(c1)OCO2 1696560 KDSXHBOECNBYPC-UHFFFAOYSA-N 320.614 2.851 50 40 DFGB CCOc1ccc(C(=O)NN)cc1COc1ccccc1C 224369007 OESOMLATVLGVRY-UHFFFAOYSA-N 300.358 2.576 50 40 DFGB COc1ccc(CC(=O)N/N=C/C(C)C)cc1Br 16915329 OSBZSQYIXGUMBY-OVCLIPMQSA-N 313.195 2.758 50 40 DFGB Cc1ccccc1OCC(=O)N/N=C1\CC(=O)CC(C)(C)C1 100007961 MNCPFWLONMHTBU-QGOAFFKASA-N 302.374 2.625 50 40 DFGB NNC(=O)c1ccc(-c2cc3ccccc3oc2=O)cc1Cl 216935502 ALOXCZHMHJPJFE-UHFFFAOYSA-N 314.728 2.717 50 40 DFGB CC[C@@H](Br)C(=O)c1ccc(O)c2[nH]c(=O)ccc12 196147033 XWOOUIQZGIEBND-SECBINFHSA-N 310.147 2.590 50 40 DFGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@@H](O)c1ccccc1 495819 KSHGQBKDFCKKQM-WAKXPGHKSA-N 307.353 2.660 50 40 DFGB CN1C(=O)c2ccc(-c3ccc(C=C(C#N)C#N)o3)cc2C1=O 5879216 GUSUKWNKFOKWHY-UHFFFAOYSA-N 303.277 2.603 50 40 DFGB CCOc1ccc(NC(=O)C(=O)NN=C2CCCCCC2)cc1 5465656 SCFNADGQYVSLOP-UHFFFAOYSA-N 317.389 2.850 50 40 DFGB COc1ccc(CC(=O)N/N=C(\C)c2ccc(F)cc2)cc1 5892300 GTSZSFVJUQQVAW-XDHOZWIPSA-N 300.333 2.917 50 40 DFGB C/C(=N\NC(=O)CC1(C)OCCO1)c1cccc2ccccc12 408948669 DBKVIAIOTNXONX-CPNJWEJPSA-N 312.369 2.833 50 40 DFGB CCC[C@H](C(=O)NN)N1c2cc(OC)ccc2[C@@H](C)CC1(C)C 223222272 LDSIXLXEZFOPNG-SWLSCSKDSA-N 319.449 2.946 50 40 DFGB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NN=C1CCCCC1 349251 XMMNKKDGNURASI-MRXNPFEDSA-N 315.417 2.877 50 40 DFGB COc1cc(OC)cc(C(=O)N(CCCl)CCCl)c1 1692181 PQZQYLHOZWXHMZ-UHFFFAOYSA-N 306.189 2.624 50 40 DFGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccccc1 6999134 VYZDWIVAOWAGAE-VCHYOVAHSA-N 315.760 2.737 50 40 DFGB C=CCSC1=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)CC(=O)N1 9110036 BNYLZLPJHWEEES-LBPRGKRZSA-N 315.354 2.853 50 40 DFGB C/C(=N\NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(C)cc1 409048920 UOPYQPHWPUGXTF-GZTJUZNOSA-N 313.313 2.763 50 40 DFGB O=C(NN=Cc1ccc2c(c1)OCO2)c1ccccc1Cl 26531233 YVIPTYQTDKOHBF-UHFFFAOYSA-N 302.717 2.833 50 40 DFGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(Br)ccc1O 408796516 AKHLJOLZRQDGNZ-VKRGWIQLSA-N 323.190 2.976 50 40 DFGB O=C(N/N=C/c1ccc(Br)o1)c1ccc(F)cc1 36166438 OUJIMMRBBZVWKC-VIZOYTHASA-N 311.110 2.945 50 40 DFGB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)NN=C1CCCCC1 349249 XMMNKKDGNURASI-INIZCTEOSA-N 315.417 2.877 50 40 DFGB CCCCCCC(=O)N/N=C/c1cc(OC)c(O)c(OC)c1 4155777 XBFHGGSQIIUYRQ-GZTJUZNOSA-N 308.378 2.830 50 40 DFGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)C1[C@H]2CCCC[C@@H]12 16034639 DHBMXVUKGKAHII-ANYFGCTQSA-N 316.445 2.786 50 40 DFGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OC)c1O 445943 VLGAZDVAMFTMNC-MDWZMJQESA-N 324.336 2.955 50 40 DFGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)C(=O)NC(N)=O 409222797 XMGHBMOMMBLWEK-YFHOEESVSA-N 315.716 2.702 50 40 DFGB COc1ccc(NC(=O)/C(C#N)=C\c2ccccc2C(=O)O)cc1 223165003 BLFXWDUXCGEJBS-RAXLEYEMSA-N 322.320 2.939 50 40 DFGB CC(C)[C@@H](C(=O)NN)N1c2ccc(F)cc2[C@@H](C)CC1(C)C 223214520 YAEVTWKJZRPQBO-NHYWBVRUSA-N 307.413 2.932 50 40 DFGB CCc1ccc(/C(C)=N/NC(=O)[C@H](O)c2ccccc2)s1 369472 XDONWNKPDSNBSD-QAEAHILHSA-N 302.399 2.884 50 40 DFGB Cc1n[nH]c(C)c1NC(=O)c1cccc(NC(=O)[C@@H](C)Cl)c1 14404642 HPUCFHRXHXLLHY-MRVPVSSYSA-N 320.780 2.845 50 40 DFGB O=C(CN1CCCCC1)N/N=C/c1ccc2c3c(cccc13)CC2 313904 ZCKMIXIHWHPQNB-FYJGNVAPSA-N 321.424 2.874 50 40 DFGB N#C/C(=C\c1cnn(Cc2ccccc2)c1)C(=O)NC1CCCC1 21957379 FAUYCEIUJQUNKX-LICLKQGHSA-N 320.396 2.897 50 40 DFGB O=S(=O)(C/N=C(\N=C=S)c1ccccc1)c1ccccc1 102628427 ITXDWFXIXVPTDJ-ICFOKQHNSA-N 316.407 2.967 50 40 DFGB COc1ccc([C@H]2[C@@H]3CCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 42421 WCHAKJWMMRWZLX-WBVHZDCISA-N 316.364 2.899 50 40 DFGB CN1CCC(=NNC(=O)c2ccc(Cl)cc2Cl)CC1 59456136 FWLSHIKGTFIRQI-UHFFFAOYSA-N 300.189 2.805 50 40 DFGB CCOc1cccc(/C=N/NC(=O)CCc2ccccc2)c1O 59147017 CMBUPYRVGZLUHZ-CPNJWEJPSA-N 312.369 2.874 50 40 DFGB C/C(=N\NC(=O)c1ccc(C(N)=O)cc1)c1ccc(C)cc1C 13321722 DKEAXCFDQWDWAL-DEDYPNTBSA-N 309.369 2.556 50 40 DFGB Cc1ccc(C)n1-c1ccc(C(=O)NNC(=O)c2ccco2)cc1 15995570 IIGLDWQBWBBMGD-UHFFFAOYSA-N 323.352 2.762 50 40 DFGB Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@H]2C)c(C)n1-c1ccccc1 7738042 VGKWZJFZHJXQAW-IAQYHMDHSA-N 311.385 2.511 50 40 DFGB N#CC(C#N)=Cc1ccc(Sc2ncccn2)c([N+](=O)[O-])c1 409098071 PGZFEUWRBOOJRY-UHFFFAOYSA-N 309.310 2.967 50 40 DFGB COc1ccc(OC)c(/C=N\NC(=O)[C@H]2[C@H]3CCCC[C@@]23C)c1 36476300 NLJBFDQRIPHXFJ-JHUFHWCKSA-N 316.401 2.980 50 40 DFGB C[C@@H]1CCC/C(=N\NC(=O)CCC(=O)NCc2ccccc2)C1 12403981 FBKMSBPLDDYIPU-HUSAPJIJSA-N 315.417 2.765 50 40 DFGB O=C(NNC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1 4775465 YLENEGQSECOSKT-UHFFFAOYSA-N 313.744 2.896 50 40 DFGB CCOc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1OCC 2769889 CFQRHMAALIZBRB-UKTHLTGXSA-N 300.358 2.670 50 40 DFGB O=C(N/N=C/c1cc2c(cc1Cl)OCO2)c1cccs1 4724336 ZGAJCCCOEPQCEO-GIDUJCDVSA-N 308.746 2.894 50 40 DFGB CCOC(=O)C1=C(C)OC(O)=C(C#N)[C@H]1c1ccc(OC)cc1 6891665 OEEVHSSFYNAGRT-OAHLLOKOSA-N 315.325 2.939 50 40 DFGB O=C(Cl)[C@@H](c1ccccc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 104095383 TZBCQSKYRYWHBG-RWMBFGLXSA-N 305.761 2.668 50 40 DFGB Cc1oc(/C=N/NC(=O)c2cccnc2)cc1Br 408869122 RCLOPVYACUEDSQ-VIZOYTHASA-N 308.135 2.509 50 40 DFGB CCc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1 3008891 AAVVJXNBROHGHJ-XDHOZWIPSA-N 309.369 2.646 50 40 DFGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1 451261 MTZMSQDJKVTRJI-XNTDXEJSSA-N 308.337 2.624 50 40 DFGB CCOC(=O)/C(C#N)=C1\C=CC=CN1CC(=O)c1cccs1 27752319 DFEWCVVMGZYMKR-OUKQBFOZSA-N 314.366 2.657 50 40 DFGB CN(C)c1ccc(/C=N\NC(=O)c2ccc(N(C)C)cc2)cc1 31658560 ZMJGGXVHCOSSAX-UYRXBGFRSA-N 310.401 2.583 50 40 DFGB O=C(CO/N=C/c1ccccc1)N/N=C/c1c[nH]c2ccccc12 36615651 CGGYZZAVQQDPCG-VWFBFMAMSA-N 320.352 2.669 50 40 DFGB Cc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 3072757 SLCAZNCMQJEGHE-YBFXNURJSA-N 309.369 2.701 50 40 DFGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@H](O)c1ccccc1 495818 KSHGQBKDFCKKQM-HDZGYNCQSA-N 307.353 2.660 50 40 DFGB O=C(NNC(=O)c1ccccc1O)c1ccc2ccccc2c1 17526779 FHDDXPBAKSEFBX-UHFFFAOYSA-N 306.321 2.620 50 40 DFGB Cc1ccc(CC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1C 409176791 XTIWIKZKJWMZEA-VXLYETTFSA-N 310.353 2.725 50 40 DFGB Cc1ccc(C(=O)N/N=C2\C(=O)Nc3ccccc32)c(Cl)c1 9190618 NIFSZSDOBOHFLR-UHFFFAOYSA-N 313.744 2.735 50 40 DFGB O=C(N/N=C/c1cc(Br)ccc1F)c1cccnc1 231126 LLWXIVBSDUOZPU-CAOOACKPSA-N 322.137 2.747 50 40 DFGB COc1ccccc1/C=N\NC(=O)[C@@H](C)Oc1ccccc1C 4544291 BMIVHGIWLMNDRN-VCRXTVNUSA-N 312.369 2.921 50 40 DFGB COc1ccc(C(=O)N/N=C(\C)c2ccc(F)cc2)cc1OC 5621092 OMYPWMUZVHYNOE-YBFXNURJSA-N 316.332 2.997 50 40 DFGB CCOC(=O)c1cccn2c([C@@H](Cl)CCCl)nnc12 103617029 OHJICBUWSPKPNR-VIFPVBQESA-N 302.161 2.815 50 40 DFGB NNC(=O)c1ccc(-c2ccc(Br)cc2Cl)o1 57353709 QKIOZVZAYWGQSM-UHFFFAOYSA-N 315.554 2.966 50 40 DFGB O=C(Cl)[C@H](c1ccccc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 104095379 TZBCQSKYRYWHBG-AVGNSLFASA-N 305.761 2.668 50 40 DFGB Cc1cc(C)nc(NNC(=O)Cc2c(F)cccc2Cl)n1 29066100 WWKOKLISRYUQLV-UHFFFAOYSA-N 308.744 2.572 50 40 DFGB Cc1ccc(C(=O)N/N=C(\CCC(=O)O)c2ccccc2)cc1 5540441 WCSMJGAEYOODOT-KNTRCKAVSA-N 310.353 2.994 50 40 DFGB N#C/C(=C\c1cccn1Cc1ccccc1[N+](=O)[O-])C(N)=S 33699101 BIMGKNQXBDRJOJ-XYOKQWHBSA-N 312.354 2.638 50 40 DFGB N#CC1=C(N)Nc2nc3ccccc3n2[C@H]1c1ccc(F)cc1 13121706 DFYFZIWGYVYMMC-HNNXBMFYSA-N 305.316 2.884 50 40 DFGB aggregator COc1ccc(OC)c(/C=N\NC(=O)[C@H]2[C@H]3CCCC[C@]23C)c1 100921348 NLJBFDQRIPHXFJ-MHXGNYDWSA-N 316.401 2.980 50 40 DFGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 408722859 NXVCHXPKOOYMPZ-BACMDPKWSA-N 317.345 2.577 50 40 DFGB O=C1c2ccccc2C(=O)N1c1ccc(CBr)nc1 95635308 FYOIVKMKVYVBSW-UHFFFAOYSA-N 317.142 2.777 50 40 DFGB Cc1cccc(/C=N/NC(=O)COc2ccccc2Cl)c1O 359832 IQFDGWNGOQWNCV-GIJQJNRQSA-N 318.760 2.883 50 40 DFGB CCCCCCO[S@@](=O)O[C@@H](C)[C@H](Cl)C(=O)OCC 5249269 LAYWVHZTHSKSHC-ADWYPQAOSA-N 314.831 2.738 50 40 DFGB O=C(Cc1ccc2c(c1)OCCO2)NNc1c[nH]c2ccccc12 12360167 HJPPVEXEGSUNIY-UHFFFAOYSA-N 323.352 2.625 50 40 DFGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc([N+](=O)[O-])s1 408722873 NZDYCISCLDJGCD-FJPLVIOVSA-N 307.375 2.933 50 40 DFGB Cc1ccc(OCC(=O)NNC2=CC(=O)CC(C)(C)C2)cc1C 32099993 OEWBEBXGCWZZEH-UHFFFAOYSA-N 316.401 2.576 50 40 DFGB O=C(CO/N=C/c1ccccc1)NN=Cc1c[nH]c2ccccc12 245225971 CGGYZZAVQQDPCG-XUOYUCQSSA-N 320.352 2.669 50 40 DFGB Cc1ccc(NCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 50030 XINPBFMXFIVQQJ-UDWIEESQSA-N 310.401 2.623 50 40 DFGB O=C(N/N=C/c1ccc(Br)s1)c1cccnc1 231143 BAGDMMOWNQRIGO-VGOFMYFVSA-N 310.176 2.670 50 40 DFGB CCOC(=O)NNC(=O)c1cc2cc(Cl)ccc2nc1C 29709646 GPXXSTOOJIUYMX-UHFFFAOYSA-N 307.737 2.588 50 40 DFGB O=C(NN=C(c1ccccc1)c1ccccc1)c1cc[n+]([O-])cc1 10130031 QMFQJJPFAQLCDO-UHFFFAOYSA-N 317.348 2.502 50 40 DFGB N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@H]1c1ccco1 4457943 BSOFDWMEXIKMGG-CYBMUJFWSA-N 304.309 2.888 50 40 DFGB N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)C(=O)NC1CCCCC1 40889394 OEILGQLKCQXIOZ-WQLSENKSSA-N 315.329 2.656 50 40 DFGB O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@H](Sc2ccccc2)[C@H]1Cl 102742005 GDDMWAGYCZBBJZ-PTEOKISQSA-N 308.786 2.720 50 40 DFGB O=C(N/N=C/c1ccc(N2CCCC2)o1)c1ccccc1F 59138209 MVFRFCCUJUSTIM-WOJGMQOQSA-N 301.321 2.783 50 40 DFGB CCOc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])cs2)cc1 59444 JHWUXMUHCFSXIS-OVCLIPMQSA-N 319.342 2.819 50 40 DFGB CCN(CC)C(=O)c1ccc(NC(=O)CBr)cc1 35605248 ISZIKOYUKDJYIY-UHFFFAOYSA-N 313.195 2.502 50 40 DFGB C#CCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 4574882 IXXHJWWVPPFBNK-QGZVFWFLSA-N 320.348 2.513 50 40 DFGB CN(C)C(=O)COc1ccccc1/C=C(\C#N)c1ccccn1 96310950 LEHGRCBONGQOHB-RVDMUPIBSA-N 307.353 2.613 50 40 DFGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 408971405 NXLQUKUFWKGJGL-SACIKYEUSA-N 317.345 2.577 50 40 DFGB COc1ccc(NC(C#N)=C2C(=O)c3ccccc3C2=O)cc1 149283 XBNWYYXIVYEHBG-UHFFFAOYSA-N 304.305 2.964 50 40 DFGB CCOC(=O)c1cccc(NC(=O)[C@@H](Br)CC)c1 12016217 MRVKXLTWXPJODE-NSHDSACASA-N 314.179 2.975 50 40 DFGB O=C(NNc1ncccn1)c1c2c(nc3ccccc13)CCCC2 44716639 UABJMXHTFZMMCU-UHFFFAOYSA-N 319.368 2.661 50 40 DFGB COc1ccc(/C=N/NC(=O)COc2ccc(C)c(C)c2)cc1 4700673 HMHSJOWGSUSNKZ-YBFXNURJSA-N 312.369 2.841 50 40 DFGB N#CC(/C=C1/Nc2ccccc2C1=O)=C(\N)NC1CCCCC1 17299580 MCLAXLNSJMYDDV-VKXALQBDSA-N 308.385 2.795 50 40 DFGB COc1ccccc1/C=N/NC(=O)CC[C@@H](O)c1ccccc1 83319782 GUERIUHZGXDSLG-CXDFQFJYSA-N 312.369 2.659 50 40 DFGB CC1(C)CC(=NNC(=O)c2cc(C(C)(C)C)n[nH]2)CC(C)(C)N1 5464780 KFMHCVZSYPAQPN-UHFFFAOYSA-N 319.453 2.734 50 40 DFGB CN(C)C(=S)SS(=O)(=O)c1cccc2cccnc12 5674758 KTPFZZMXMQPSRG-UHFFFAOYSA-N 312.441 2.503 50 40 DFGB Cc1cc(C)n(CCC(=O)N/N=C/c2c[nH]c3ccccc23)n1 384475 YKPJJINOTPAOMP-YBFXNURJSA-N 309.373 2.522 50 40 DFGB N#C/C(=C\N1CCNC1=S)C(=O)c1ccc2ccccc2c1 6576597 DOIZNVFBSUQVLL-RVDMUPIBSA-N 307.378 2.620 50 40 DFGB aggregator,in-vitro C/C=C1\CN2CC[C@@]34C(=C(C=O)[C@H]1C[C@H]23)Nc1c(O)cccc14 55065571 JDOFCMASVRMYJU-BUXODYDLSA-N 308.381 2.563 50 40 DFGB COc1ccc([C@@H](CNC(=O)CCl)N2CCCCC2)cc1 3426871 SAHZZPBLZTUWQN-OAHLLOKOSA-N 310.825 2.577 50 40 DFGB in-vitro CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)NCCCOC 408818662 YHXJQJBHRLDDLD-UKTHLTGXSA-N 322.792 2.798 50 40 DFGB N#C/C(=C\Nc1ccc(Nc2ccccc2)cc1)c1nnn[nH]1 15894687 FLPLCJJGNZGOAW-VAWYXSNFSA-N 303.329 2.920 50 40 DFGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)Cc2ccccc2)cc1 138641923 RVZGJHBMXIRYON-DEDYPNTBSA-N 309.369 2.728 50 40 DFGB NNC(=O)/C=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 226257181 YEWZFBSUPVOHJT-ZZXKWVIFSA-N 307.693 2.511 50 40 DFGB O=C1OC(=O)c2ccccc2/C1=N/Nc1ccc(Cl)cc1 95676901 KMHIUYDAEVHZNS-AQTBWJFISA-N 300.701 2.853 50 40 DFGB COCCOC(=O)[C@H](C)Sc1ccc(C(=O)CCl)cc1 58018881 QVQSIFXMKJFEOA-JTQLQIEISA-N 316.806 2.778 50 40 DFGB Cc1nc(N)sc1C(=O)N/N=C/c1cccc2ccccc12 144858 REDYXZJYQMRUTN-GIJQJNRQSA-N 310.382 2.951 50 40 DFGB Cc1cccc(NCC(=O)N/N=C/c2cc(Cl)ccc2O)c1 4746738 HGOLNTULSUJFNF-DJKKODMXSA-N 317.776 2.916 50 40 DFGB CCN(CC)c1ncc(/C=N/NC(=O)c2cc(C)oc2C)s1 7422372 VFQJEFTTWQOVCI-RQZCQDPDSA-N 320.418 2.963 50 40 DFGB CSc1ccccc1C(=O)NNC(=O)c1ccc(F)cc1 7977637 PFMGQCBULSFFRX-UHFFFAOYSA-N 304.346 2.622 50 40 DFGB CCOC(=O)C1=C(C)NC(SC)=C(C#N)[C@H]1c1cccnc1 19804759 NFLWWSQQBSOSKL-CQSZACIVSA-N 315.398 2.704 50 40 DFGB N#C/C(=C/c1ccccc1C(=O)O)C(=O)NCCc1ccccc1 40889442 SBJGFSYODQEWCK-VBKFSLOCSA-N 320.348 2.651 50 40 DFGB CCOC(=O)c1sc2nc([C@@H](C)Cl)[nH]c(=O)c2c1C 3336006 CDMCPVASTXPGJI-ZCFIWIBFSA-N 300.767 2.770 50 40 DFGB O=C(Cc1ccccc1)N/N=C/C=C/c1ccccc1[N+](=O)[O-] 2286975 XLKQVWPGAKEAGG-PDDUZAPNSA-N 309.325 2.953 50 40 DFGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)CC)ccc1OC 408803690 SEJKRYHZAMOGPP-IGVUGNCQSA-N 302.374 2.916 50 40 DFGB N#CC1=C(N)n2c(nc3ccccc32)N[C@@H]1c1ccc(O)cc1 20086201 RCTRTKBRKMLACT-OAHLLOKOSA-N 303.325 2.560 50 40 DFGB O=C(N/N=C/c1cc2c(cc1Cl)OCO2)c1ccccc1O 2766266 GZRMFBDPNZRZGY-REZTVBANSA-N 318.716 2.538 50 40 DFGB CCc1sc(C(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cc1C 106523195 VCACSEVYVLREEX-SDDRHHMPSA-N 306.431 2.816 50 40 DFGB O=C(N/N=C/c1ccc(Br)o1)c1ccccc1O 4280944 SSWDWPWUCVZCAP-VGOFMYFVSA-N 309.119 2.512 50 40 DFGB Cc1ccc2c(c1)cc(C(=O)NNC(=O)c1ccccc1)n2C 4749280 ZJCUJKRKWXCYTI-UHFFFAOYSA-N 307.353 2.562 50 40 DFGB COc1ccc(/C(C)=N/NC(=O)[C@H](OC)c2ccccc2)cc1 20248473 VBEDXFCSCPDYGH-HNMKQIAWSA-N 312.369 2.923 50 40 DFGB NNC(=O)c1ccc(Cl)c(-c2cc3ccccc3oc2=O)c1 216936545 XPTKKGYGEDKEDP-UHFFFAOYSA-N 314.728 2.717 50 40 DFGB CC(C)(C)OC(=O)N1CCN(c2nc(CCl)cs2)CC1 95757520 FGTIWIFQLSPPLE-UHFFFAOYSA-N 317.842 2.939 50 40 DFGB COc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)ccc1O 14003030 MNFVCNPVWCNDAZ-VCHYOVAHSA-N 318.760 2.747 50 40 DFGB COc1ccc(OCC(=O)N/N=C(\C)c2ccc(F)cc2)cc1 8182503 MATPUMAACUXTKN-XDHOZWIPSA-N 316.332 2.754 50 40 DFGB COc1ccc(/C=C(\C#N)C(=O)OC(C)C)c(OC)c1OC 6364721 ZFPMABVFFHSNSY-XYOKQWHBSA-N 305.330 2.571 50 40 DFGB biogenic,in-vitro O=C(OCCBr)c1ccc(Cl)c([N+](=O)[O-])c1 1689192 DXKZSAMZYQDNAX-UHFFFAOYSA-N 308.515 2.800 50 40 DFGB O=[P@@](O)(NC1CCCCC1)N(CCCl)CCCl 2046668 UOQKXTAJOXAHKD-UHFFFAOYSA-N 303.170 2.789 50 40 DFGB COC(=O)c1ccc(/C=N/NC(=O)CCc2ccccc2)cc1 3034070 KIMHIDXYGLBORR-CPNJWEJPSA-N 310.353 2.556 50 40 DFGB ClCC(CCl)OC[C@@H]1CO[C@@H]([C@H]2C[C@H]3C=C[C@H]2C3)O1 254735840 ZHMYUXWEIVWJPA-IKOPJOCTSA-N 307.217 2.803 50 40 DFGB N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)NC1CC1 11289573 GLGLOLVTDADHNG-UKTHLTGXSA-N 322.320 2.830 50 40 DFGB CCCC/C(C)=N/NC(=O)C(=O)Nc1ccc(OCC)cc1 4697529 HUHAXXIHMMLEGP-LDADJPATSA-N 305.378 2.706 50 40 DFGB COC(=O)/C(C#N)=C(/SC)[C@H]1CCCCC1=C(C#N)C#N 59662421 PCJNNULWJLXCOW-FWJVZWRSSA-N 301.371 2.834 50 40 DFGB CO[C@@]12c3ccccc3-c3ccccc3[C@@H]1[C@H]1C(=O)OC(=O)[C@@H]12 104210334 JVUYITYOPQCFKX-NNFUDEMPSA-N 306.317 2.622 50 40 DFGB Cc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c(C)c1C 408829666 PWQAUUZEYFISTP-HGMDMCOWSA-N 324.380 2.902 50 40 DFGB CN1/C(=C(\C#N)C(=O)CN2CCCCCC2)Nc2ccccc21 96833687 MCNVAIYBMCSLTM-NBVRZTHBSA-N 310.401 2.729 50 40 DFGB C=CCc1cc(C(=O)NN)cc(OC)c1OCc1ccccc1 216882988 VVFKABMHYWWKTP-UHFFFAOYSA-N 312.369 2.606 50 40 DFGB O=C(N/N=C\c1ccc(Cl)s1)[C@H]1COc2ccccc2O1 12360080 PTRDIWDLECIHKN-YNUIFBACSA-N 322.773 2.692 50 40 DFGB CN(C)C(=O)CCc1ccc(N(CCCl)CCCl)cc1 1723662 SHKPEXLESGGXPY-UHFFFAOYSA-N 317.260 2.991 50 40 DFGB O=C(NNC(=O)c1ccccc1O)c1cc2ccccc2s1 14229664 XPQXUJAQZURFCT-UHFFFAOYSA-N 312.350 2.682 50 40 DFGB C/C(=N\NC(=O)Cc1cc(C)ccc1C)c1ccc(O)cc1O 409364008 MVSSKAICWIOMDF-CPNJWEJPSA-N 312.369 2.798 50 40 DFGB CC(=O)Oc1cc(OC(C)=O)cc([C@H](C)Br)c1 35643882 ZYSHBERCPPDDCB-ZETCQYMHSA-N 301.136 2.993 50 40 DFGB in-vitro O=C(N/N=C/c1ccc(F)cc1)c1cccc(Cn2cccn2)c1 131694 KJJUZTGMOIOYFG-UDWIEESQSA-N 322.343 2.834 50 40 DFGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(Cl)c1O 16438237 STNBMNGEYUHZDD-IZZDOVSWSA-N 306.749 2.584 50 40 DFGB NNC(=O)c1cccc(COc2cccc(Br)c2)c1 374034 KSEBLRAMCRKDFA-UHFFFAOYSA-N 321.174 2.632 50 40 DFGB ClCCN(CCCl)c1ccccc1CN1CCOCC1 1763140 VXLCPYJSDBDLQX-UHFFFAOYSA-N 317.260 2.803 50 40 DFGB O=C(NNC(=O)C1[C@@H]2CCCC[C@@H]12)Nc1cccc(Cl)c1 3194488 MWCZHKHFVINOGG-VXGBXAGGSA-N 307.781 2.929 50 40 DFGB CCCc1cc(-c2nc(C)c(/C(C)=N/NC(N)=O)s2)ccn1 6662000 PSFORYCNPWFERH-VXLYETTFSA-N 317.418 2.858 50 40 DFGB CCOc1cccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c1 408586010 AHSAFSBTRZFTKA-BOPFTXTBSA-N 313.313 2.757 50 40 DFGB O=C(NNC(=O)c1cccnc1)c1ccc(-c2ccccc2)cc1 5604521 RJCZRDAVOOXCQS-UHFFFAOYSA-N 317.348 2.823 50 40 DFGB C/C(=N\NC(=O)CCc1ccccc1)c1ccc2c(c1)OCO2 13965448 VSTBRTDVDUNRCD-CPNJWEJPSA-N 310.353 2.888 50 40 DFGB COc1ccc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@]32C)cc1OC 100175407 SJSMAYIKPRLJRB-BJVBRPDASA-N 316.401 2.980 50 40 DFGB O=C(CSc1ccccc1)N/N=C/c1ccc(C(=O)O)cc1 59166251 QXIWWDBPNMPEDX-LICLKQGHSA-N 314.366 2.627 50 40 DFGB CSCc1ccc(C(=O)NNC(=O)c2cccs2)cc1 5823479 FZNOSCKDZDONPD-UHFFFAOYSA-N 306.412 2.686 50 40 DFGB CO[C@H]1[C@H](Br)[C@](C)(OC)c2ccccc2N1C#N 5390269 GLYBQGPDICIFIK-RWMBFGLXSA-N 311.179 2.585 50 40 DFGB COc1cc(C(=O)N/N=C2/C[C@@H]3CC[C@@H]2C3)cc(OC)c1OC 100317248 VDAJYEQZNCDILE-YODIJAISSA-N 318.373 2.618 50 40 DFGB COc1ccc(/C=N/NC(=O)COc2c(C)cccc2C)cc1 238216 ORRHIZCBDLESPU-YBFXNURJSA-N 312.369 2.841 50 40 DFGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NN=Cc1cccnc1 6183392 BLRIDBBUDYUETG-LLVKDONJSA-N 303.749 2.653 50 40 DFGB Cc1cccc(C(=O)N/N=C/c2coc3ccccc3c2=O)c1 5747746 HGQBKZNJIPYKRJ-VXLYETTFSA-N 306.321 2.865 50 40 DFGB COc1ccc(/C(C)=N/NC(=O)c2ccc(F)cc2)c(OC)c1 45329782 WLXRDDWYJNNSSO-YBFXNURJSA-N 316.332 2.997 50 40 DFGB Cc1ccc(C(=O)N/N=C/c2ccn(CC(F)(F)F)n2)cc1C 252508593 XPQIIAUOZFLCOG-UFWORHAWSA-N 324.306 2.826 50 40 DFGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)NCc1ccccc1 5946982 MMEFDZQZCSTJGC-NVNXTCNLSA-N 306.321 2.639 50 40 DFGB N#C/C(=C\[C@H]1CC[C@H]2OCO[C@@H]2C1)C1CCC([N+](=O)[O-])CC1 5328166 XYMAGFLDLDRDMP-YJGLUABNSA-N 306.362 2.813 50 40 DFGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(C)cc1 3178107 UYMUAEXUSDFJAV-XDHOZWIPSA-N 309.369 2.646 50 40 DFGB O=C(CCN(CCCl)CCCl)c1ccc([N+](=O)[O-])cc1 1690730 JTWHINIRTXPTIE-UHFFFAOYSA-N 319.188 2.947 50 40 DFGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cccn1C 6452694 PDBJTIMLIBBWRQ-XDHOZWIPSA-N 307.353 2.951 50 40 DFGB COC(=O)c1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)cc1 12882357 FLFXFWJTSXZXGV-RVDMUPIBSA-N 322.368 2.855 50 40 DFGB C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1ccc(F)cc1 5003502 HDHVKAHJIJMNBJ-YDDPGSGASA-N 314.316 2.506 50 40 DFGB CCOc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1 3474923 ARYAWCQTSUAJCU-VCHYOVAHSA-N 312.325 2.578 50 40 DFGB O=C(NNC(=O)c1cccc(-n2cccc2)c1)c1ccccc1 17171038 LHYVXGNDMPTMEX-UHFFFAOYSA-N 305.337 2.552 50 40 DFGB O=C(O)[C@@H](NC(=O)[C@H](Cl)c1ccccc1)c1ccccc1 1707431 VXCLLZXKVBNTBR-KGLIPLIRSA-N 303.745 2.909 50 40 DFGB Cc1cc(C)c(NC(=O)[C@H]2CCCN2C(=O)CCl)c(C)c1 3154101 MRUZVOWSHYJPJU-CYBMUJFWSA-N 308.809 2.780 50 40 DFGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2n1 545823 CJIIFALXQFUOEP-WOJGMQOQSA-N 320.308 2.907 50 40 DFGB O=C1OC(=O)c2cc(Br)c(Br)cc21 100637865 DVIKZIPMTWLDLT-UHFFFAOYSA-N 305.909 2.522 50 40 DFGB CN(NC(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1ccccc1 24927788 ZTYCXCQYDCKZLK-OAHLLOKOSA-N 323.396 2.745 50 40 DFGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1O)c1ccc(Cl)cc1 4814100 JRIOXXVOUNNLHL-PXNMLYILSA-N 319.704 2.718 50 40 DFGB Cc1ccc(C(=O)NNC(=O)c2cccc(-n3cccc3)c2)cc1 17254436 CDBWPCHFVZCJLP-UHFFFAOYSA-N 319.364 2.861 50 40 DFGB COc1ccc(/C(C)=N/NC(=O)c2ccc(C)o2)cc1OC 13966492 JDNXPAFFNSCXNJ-GZTJUZNOSA-N 302.330 2.759 50 40 DFGB O=C(/C=C/c1ccccc1)NNC(=O)[C@H]1C[C@@H]1c1ccccc1 2761151 RKPPRFRVLMQMAL-SFDDJJRUSA-N 306.365 2.651 50 40 DFGB COC(=O)[C@@H](I)[C@H](Cl)c1ccccc1 1832955 ARQOPTLFVQENIV-BDAKNGLRSA-N 324.545 2.943 50 40 DFGB CCc1ccccc1NC(=O)C/C(C)=N/NC(=O)c1cccnc1 10040854 DEABCIGTLKNVTQ-FYJGNVAPSA-N 324.384 2.779 50 40 DFGB Cc1cc(C)nc(NNC(=O)c2ccc(-n3cccc3)cc2)n1 11274174 XRDNBBTUYHYMDR-UHFFFAOYSA-N 307.357 2.641 50 40 DFGB COc1cc(C(=O)NC2=C(C#N)CCC2)ccc1OC(F)F 6490562 BHAMUJOVBYKIFP-UHFFFAOYSA-N 308.284 2.988 50 40 DFGB CCOc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OC 4702552 YOXKRCKQIHVQBY-CPNJWEJPSA-N 312.369 2.787 50 40 DFGB CCn1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c2ccccc21 5817829 JHWSNGNMOPZMGK-MRXNPFEDSA-N 319.368 2.911 50 40 DFGB N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CCl)CCCC2 32627579 NRUFLRSCJADFRI-LLVKDONJSA-N 321.808 2.595 50 40 DFGB CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(C)=O)c1C 22161142 JVEZXKUMBMYACT-BRYYZUPOSA-N 302.374 2.943 50 40 DFGB N#CC1=C(N)n2c(nc3ccccc32)N[C@H]1c1cccc(F)c1 20086161 SACRIWJKASNMNG-HNNXBMFYSA-N 305.316 2.993 50 40 DFGB C/C(=N\NC(=O)COc1ccc(Cl)cc1C)c1ccccn1 17054459 CBSANVYRRJVQIC-XDHOZWIPSA-N 317.776 2.963 50 40 DFGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])o1 3283540 HRSUSJHRQFSVAN-JPZMSJPLSA-N 303.318 2.790 50 40 DFGB N#Cc1ccc(C(=O)N/N=C/c2c[nH]c3ccccc23)c(F)c1 4524064 FCMAVLMUYSQYGV-UFFVCSGVSA-N 306.300 2.943 50 40 DFGB Cn1cccc1/C=N/NC(=O)c1ccccc1Br 4598950 FYVROUPFDMFOBY-OQLLNIDSSA-N 306.163 2.552 50 40 DFGB COc1cc(O)ccc1/C=N/NC(=O)Cc1ccc(Cl)cc1 226063 UYSLRPKXLJWCPN-VCHYOVAHSA-N 318.760 2.747 50 40 DFGB Cn1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c2ccccc21 43288 TXPHVDSRTHQWQF-DJKKODMXSA-N 321.336 2.671 50 40 DFGB Cc1n[nH]c(C)c1CCC(=O)N/N=C\c1cccc(Cl)c1 31841378 RPOIIUHMOXLRJY-MFOYZWKCSA-N 304.781 2.763 50 40 DFGB CCOc1ccccc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 96416 UGPRUSFGQZYOFT-INIZCTEOSA-N 310.353 2.900 50 40 DFGB COC(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccco2)cc1 507798 YDMFZDFVCOETNT-WRFVMNGSSA-N 314.297 2.588 50 40 DFGB CCCCNC(=O)c1ccc(NC(=O)CBr)cc1 35605239 UEKNAYKRFSATRC-UHFFFAOYSA-N 313.195 2.550 50 40 DFGB Cc1ccc(S[C@@H](C)C(=O)NN=C2CCN(C)CC2)cc1 409143142 ZGCFZYFTSFNGTB-ZDUSSCGKSA-N 305.447 2.673 50 40 DFGB O=C(CCl)N(C[C@@H]1CCCN1Cc1ccccc1)C1CC1 79393753 FBLQBRSRIMFCCQ-INIZCTEOSA-N 306.837 2.881 50 40 DFGB CC(C)=NNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 4402121 IMFWOBYRIBHKBA-QGZVFWFLSA-N 323.396 2.540 50 40 DFGB CCOc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1 568834 OLOABWHPKOFPQC-UHFFFAOYSA-N 318.760 2.814 50 40 DFGB O=C(Nc1ccc(O)c(C(=O)O)c1)Oc1ccc([N+](=O)[O-])cc1 1750327 APEFKLXXMJYRCB-UHFFFAOYSA-N 318.241 2.610 50 40 DFGB O=C(N/N=C/c1cccc2ccccc12)C(=O)N1CCCCCC1 59459712 RAOXJFFLGXNPKL-XSFVSMFZSA-N 323.396 2.693 50 40 DFGB Cc1occc1C(=O)NNC(=O)NC12CC3CC(CC(C3)C1)C2 4507113 VHWGLYLSAVQFFT-UHFFFAOYSA-N 317.389 2.501 50 40 DFGB COc1ccccc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1C 408785847 IMZLQSQGAQUMQG-LICLKQGHSA-N 313.313 2.676 50 40 DFGB CC/C(=N\NC(=O)c1ccncc1)c1ccc(OC)c(OC)c1 5231314 AVNPOTVWZFDJBA-XMHGGMMESA-N 313.357 2.643 50 40 DFGB Cc1cc(C)nc(NNC(=O)Cc2cccc(C(F)(F)F)c2)n1 13004194 YGDZCYYCBRTCBO-UHFFFAOYSA-N 324.306 2.798 50 40 DFGB CCCc1[nH]nc2c1[C@@H](c1ccccc1OCC)C(C#N)=C(N)O2 4592564 LQVJZDWTGCAAAV-HNNXBMFYSA-N 324.384 2.979 50 40 DFGB C/C(=N\NC(=O)CCc1ccccc1)c1ccc2c(c1)OCCO2 409118205 NKEGZCRENFXUMD-XSFVSMFZSA-N 324.380 2.931 50 40 DFGB O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(O)c1 1021104 INAHZRGPVPQLBF-LZYBPNLTSA-N 319.704 2.718 50 40 DFGB C/C(=N/NC(=O)c1cc(C)n[nH]1)c1ccc(Br)cc1 13647741 GBZOUKIBZLMQSK-SXGWCWSVSA-N 321.178 2.635 50 40 DFGB CCC(=O)Nc1ccc(C(=O)N/N=C(\C)c2ccc(N)cc2)cc1 112854 ZWPHDVHKFAJJBN-CIAFOILYSA-N 324.384 2.771 50 40 DFGB C=CCNC(SCC(=O)c1ccc(OC)cc1)=C(C#N)C#N 6786700 MSGRIUJGLPYFCF-UHFFFAOYSA-N 313.382 2.645 50 40 DFGB C[C@@H]1CCCC/C1=N\NC(=O)Cn1ccc(C(F)(F)F)n1 13146215 IHNKRMACYOFFHF-CHVKRKBBSA-N 302.300 2.584 50 40 DFGB Cc1cc(N2C[C@H](C(=O)Cl)CC2=O)ccc1Br 45952737 VNTJZPVEYBXBCB-MRVPVSSYSA-N 316.582 2.876 50 40 DFGB O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1ccco1 108904762 WMDXJRAVGYFFMP-VXLYETTFSA-N 319.320 2.543 50 40 DFGB COc1ccc(/C=N/NC(=O)c2cc3ccc(OC)cc3[nH]2)cc1 5443405 VMMWAYHHPLBOQJ-YBFXNURJSA-N 323.352 2.949 50 40 DFGB CCN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)CCl 79392526 JICURUAMCDRLNT-UHFFFAOYSA-N 318.845 2.721 50 40 DFGB COC1CCC(NC(=O)N(N=O)C2CCC(OC)CC2)CC1 5639816 LNFZBZIGHZWQND-UHFFFAOYSA-N 313.398 2.595 50 40 DFGB COc1ccc(CC(=O)N/N=C(/C)c2ccc(F)cc2)cc1 6691358 GTSZSFVJUQQVAW-UNOMPAQXSA-N 300.333 2.917 50 40 DFGB N=C(CSS(=O)(=O)O)NCCCCC1CCCCC1 31343364 AYXXZCZXYOGKNY-UHFFFAOYSA-N 308.469 2.840 50 40 DFGB COC(=O)c1cc(Br)ccc1NC(=O)[C@@H](C)Cl 96029389 ZJUSZEDEIQHVFY-ZCFIWIBFSA-N 320.570 2.802 50 40 DFGB COc1cccc(/C=N/NC(=O)CCc2ccccc2)c1OC 5527510 QMIYJYFJYIUUQK-CPNJWEJPSA-N 312.369 2.787 50 40 DFGB CC[C@H](NC(=O)NNC(=O)c1ccoc1C)c1ccc(C)cc1 32795442 MDJPERLEBZCKNN-HNNXBMFYSA-N 315.373 2.992 50 40 DFGB Cc1ccccc1[C@@H]1C(C#N)=C(N)N(N(C)C)C2=C1C(=O)CCC2 72361 DHZZGVCSMSVLRV-QGZVFWFLSA-N 322.412 2.572 50 40 DFGB CCCOc1ccc(/C=N/NC(=O)c2ccco2)cc1OC 2759426 NEWSUSNYNYIZBC-GZTJUZNOSA-N 302.330 2.841 50 40 DFGB O=C(CBr)c1cccc(C(=O)CBr)c1 4265695 YQUHHXFWQZYFGH-UHFFFAOYSA-N 319.980 2.842 50 40 DFGB biogenic CC(C)(C)c1nc(C#N)c(NNC(=O)c2ccc(F)cc2)o1 41157789 YTPRBTNLHHHUBP-UHFFFAOYSA-N 302.309 2.740 50 40 DFGB O=C1c2ccccc2P(=O)(c2ccccc2)c2ccccc21 95612015 WIIRALVYGOGUAT-UHFFFAOYSA-N 304.285 2.870 50 40 DFGB Cc1noc(C)c1C12C[C@H]3C[C@H](CC(CC(=O)NN)(C3)C1)C2 13640790 KKRYKLXMGPICTO-ZPVISIIKSA-N 303.406 2.509 50 40 DFGB CCC1=C(C(=O)OC)[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O1 351053 GOCBFJCDPUBOAH-ZDUSSCGKSA-N 318.760 2.985 50 40 DFGB Cc1cc(C)n(CC(=O)N/N=C/C(Cl)=C/c2ccccc2)n1 46430936 WHDCMEQUECNGOI-PFVOVTSXSA-N 316.792 2.882 50 40 DFGB O=C(NNC(=O)c1ccccc1O)Nc1cccc(Cl)c1 3191937 MOELFPKTQFNGJK-UHFFFAOYSA-N 305.721 2.512 50 40 DFGB CC(C)N1C(=O)/C(=N/NC(=O)c2ccccc2)c2ccccc21 100085853 YVTYZCWBQFXIGZ-KNTRCKAVSA-N 307.353 2.576 50 40 DFGB C/C(CC(=O)Nc1ccccn1)=N\NC(=O)c1cccc(C)c1 4551194 XXYZEPSZDPQQPQ-DEDYPNTBSA-N 310.357 2.525 50 40 DFGB N#C/C(=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1)C(N)=O 408868608 AJSQOWPTUJEHJH-NTEUORMPSA-N 323.308 2.566 50 40 DFGB CN(C)c1ccc(/C=N/NC(=O)c2ccccc2N)c(Cl)c1 144399 RMEMMJBAXHHASO-VXLYETTFSA-N 316.792 2.752 50 40 DFGB FC(F)(F)C1(C(F)(F)F)[C@H]2C[C@@H]3[C@@H]([C@H]2Br)N31 100114786 XKUBBXCEJQOOTG-SHSKGQOXSA-N 310.035 2.700 50 40 DFGB CC(=CI)CI 1857794218 CSHHJSVEMPBDKP-UHFFFAOYSA-N 307.900 2.760 50 40 DFGB O=S(=O)(c1ccccc1)C(Br)Br 1711924 RLOBRCXIAWJACX-UHFFFAOYSA-N 313.998 2.534 50 40 DFGB Cc1cc(C)n(CC(=O)N/N=C/C2=CC[C@@H]3C[C@H]2C3(C)C)n1 21189406 OSKZAFLEYURSLU-DVXNSDPISA-N 300.406 2.594 50 40 DFGB COC(=O)[C@H](Br)Cc1ccc(Br)cc1 2599123 YRZAFKNONVRFNF-SECBINFHSA-N 321.996 2.928 50 40 DFGB COc1ccnc(NNC(=O)CCc2ccc3ccccc3c2)n1 54763507 KVYVAWVDMHLGBI-UHFFFAOYSA-N 322.368 2.714 50 40 DFGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 408722864 NXVCHXPKOOYMPZ-OPZPSJHESA-N 317.345 2.577 50 40 DFGB CCOc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OC 7950752 YYGLFSFTLGXMFW-WOJGMQOQSA-N 314.341 2.563 50 40 DFGB CC(=O)[C@@H]1CC(=NNC(N)=O)[C@H](C)[C@H](Cc2ccccc2)C1 245238817 BHPBRBNOQRVGTP-DFBGVHRSSA-N 301.390 2.505 50 40 DFGB CCCOc1ccccc1C(=O)NNC(=O)Nc1ccccc1 14026160 UFHKFKICLOYIGT-UHFFFAOYSA-N 313.357 2.942 50 40 DFGB N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(N)=O 432074 OMTYRBIHYKFMIY-YVMONPNESA-N 317.688 2.900 50 40 DFGB C=CCNC(=S)N/C=C(\C#N)c1nc2ccccc2s1 104304982 PALLRKIAFYMOFT-MDZDMXLPSA-N 300.412 2.811 50 40 DFGB O=C(N/N=C/c1cccn1-c1ccccc1)c1ccc(O)cc1 9265579 SVOFLESRYXMCCB-CPNJWEJPSA-N 305.337 2.947 50 40 DFGB O=C(N/N=C1/CCc2ccccc21)N/N=C1/CCc2ccccc21 16958548 XJCBKFUZKIYYKV-HIOQQWDOSA-N 318.380 2.987 50 40 DFGB O=C(Nc1ccccc1)NN(C(=O)CCl)c1ccccc1 4204327 MBYYZKVXOFINJG-UHFFFAOYSA-N 303.749 2.995 50 40 DFGB C=CCOC(=O)/C(C#N)=C/c1ccc(O)c(Br)c1 6947664 IDIQQPLBINKKEN-UXBLZVDNSA-N 308.131 2.791 50 40 DFGB COc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)ccc1O 409176595 SFJXNBSBLZFTDX-YBFXNURJSA-N 312.369 2.710 50 40 DFGB CCOC(=O)c1c(NC(=O)CCCl)sc2c1CCC2 5717881 LKOKCIQIXZDJGO-UHFFFAOYSA-N 301.795 2.981 50 40 DFGB CCC(=O)Nc1ccc(C(=O)N/N=C/[C@H]2C[C@H]3C=C[C@H]2C3)cc1 105670274 RSRSUKQEJAHXKM-DJGHWUEPSA-N 311.385 2.963 50 40 DFGB C[S@](=O)c1ccc(C(=O)NNc2cccc(Cl)c2)cc1 48429492 JFGOZDKDIKJVPI-HXUWFJFHSA-N 308.790 2.834 50 40 DFGB Cc1cc(C)nc(NNC(=O)[C@H](C)Oc2ccc(Cl)cc2)n1 14512490 ZYMILENDRICHLZ-NSHDSACASA-N 320.780 2.657 50 40 DFGB Cc1cc(C)n(CCC(=O)N/N=C/c2ccc(Cl)cc2)n1 4844239 ZTNLRCNORLTBPH-LICLKQGHSA-N 304.781 2.694 50 40 DFGB O=C(COc1ccccc1Cl)N/N=C\c1cccc(O)c1 32193903 QNIJIUHLQSQSCZ-MFOYZWKCSA-N 304.733 2.575 50 40 DFGB CCCCN1C(=O)/C(=N/NC(=O)c2ccccc2)c2ccccc21 17729270 UWHDLFQSPVEAQV-LVZFUZTISA-N 321.380 2.967 50 40 DFGB Cn1cccc1CC(=O)N/N=C/c1c(O)ccc2ccccc12 230862 ARPJRUUXKJXKKS-XDHOZWIPSA-N 307.353 2.577 50 40 DFGB C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)N/N=C\c1ccc(O)c(O)c1)C2 100261292 CSDRVEKUFJFQPS-ZOBRYJGNSA-N 314.385 2.930 50 40 DFGB CCCN1C(=O)/C(=N\NC(=O)Cc2ccccc2)c2ccccc21 13564583 BQNXFRQXOYDOAF-UZYVYHOESA-N 321.380 2.506 50 40 DFGB CC(/C=N\NC(=O)Cn1nnc2ccccc21)=C\c1ccccc1 31841318 YGYCUIUFZFEBMM-JKLBGJETSA-N 319.368 2.637 50 40 DFGB O=S(=O)(NCCCCl)c1cc(Cl)ccc1Cl 2743220 HCWPWQKTPPMBJB-UHFFFAOYSA-N 302.610 2.901 50 40 DFGB C/C(=N/NC(=O)CCn1cnc2ccccc21)c1ccccc1 536019 BFIGAKMIXJPENE-ZHZULCJRSA-N 306.369 2.967 50 40 DFGB C/C(=N/NC(=O)c1ccccc1Cl)c1cc(O)ccc1O 4675554 VOUOCQIPKJKODO-MFOYZWKCSA-N 304.733 2.905 50 40 DFGB COc1cc(/C=N/NC(=O)c2ccccc2O)cc(Cl)c1O 4740778 AMQGSKQJRBHJBH-CAOOACKPSA-N 320.732 2.524 50 40 DFGB CCOC(=O)/C(C#N)=C/C1=C(N2CCCC2)C[C@@](C)(CC)OC1 49582827 NUTVEPLVICAVFD-PMXLPMHFSA-N 318.417 2.938 50 40 DFGB O=C(N/N=C/C=C/c1ccco1)c1nnc(-c2ccccc2)o1 63422256 VFZLAJOVUBWMOX-KGUOSTGJSA-N 308.297 2.759 50 40 DFGB O=C(CCl)N[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 79392631 MUMYDKYDNWFAFS-ZIAGYGMSSA-N 324.808 2.579 50 40 DFGB CC(C)[C@H](NC(=O)CCCC[C@H]1CCSS1)C(=O)O 96221855 RTTUGKYFSHUCBM-JQWIXIFHSA-N 305.465 2.926 50 40 DFGB biogenic COC(=O)/C(C#N)=C\c1ccc(-c2ccc(C(=O)OC)cc2)o1 6145383 DKULFSDEHGTXKM-LCYFTJDESA-N 311.293 2.813 50 40 DFGB COc1ccc(N2C=C(C#N)S(=O)(=O)c3ccccc32)cc1 38487968 QBOOSNQMUDNCLN-UHFFFAOYSA-N 312.350 2.986 50 40 DFGB COc1ccc(C(=O)N/N=C/[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1OC 100465167 VBNDVYMLZVJADP-QUXAWMFSSA-N 302.374 2.856 50 40 DFGB Nc1ccc(O)c(P(=O)(c2ccccc2)c2ccccc2)c1 108505816 UVXLJZXJEABLNV-UHFFFAOYSA-N 309.305 2.614 50 40 DFGB Cc1ccc(C(=O)NNC(=O)c2ccc(OC(F)F)cc2)cc1 3555126 XJHMKVIHXDAOQQ-UHFFFAOYSA-N 320.295 2.671 50 40 DFGB CCOc1cc(/C=N/NC(=O)c2ccccc2NC)ccc1O 45745 MMSASRDYYPPPCJ-YBFXNURJSA-N 313.357 2.597 50 40 DFGB N#CC1=C(N)OC2=C(C(=O)OC2)[C@@H]1c1ccc(Cl)cc1Cl 5943880 MOHLQGXIDNMFEV-LLVKDONJSA-N 323.135 2.612 50 40 DFGB Cc1cc(/C=C(\C#N)C(=O)N=c2cc[nH]cc2)c(C)n1C1CC1 32726330 WOZLCOJCWMHPAT-XNTDXEJSSA-N 306.369 2.802 50 40 DFGB CC(C)(C)OC(=O)NN[C@H](c1ccccc1)C1CCNCC1 228966607 DBZTXAVXHJSXNW-OAHLLOKOSA-N 305.422 2.757 50 40 DFGB CCN(Cc1ccccc1)C(=O)NNC(=O)c1ccc(C)cc1 32794919 UIGHIKQDDJGPJC-UHFFFAOYSA-N 311.385 2.872 50 40 DFGB CCOc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1O 6960053 FCRQQNAVKQSXCD-SLDJAQPHSA-N 323.352 2.548 50 40 DFGB CCOC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 3168739 CCEVDWCNGIOADE-RVDMUPIBSA-N 320.352 2.934 50 40 DFGB O=C(N/N=c1/c(=O)c2cccc3cccc1c32)c1ccccc1F 3347642 UZDYDWZTZNMLGV-HEHNFIMWSA-N 318.307 2.614 50 40 DFGB Cc1cc(/C=N/NC(=O)CC2(C)OCCO2)c(C)c(C)c1C 408723101 ZIRWXIIXXNJOMN-VCHYOVAHSA-N 304.390 2.523 50 40 DFGB C=CCc1cc(/C=N\NC(=O)c2ccccc2)cc(OC)c1O 409211997 PCFNFKXQLHNGNE-UNOMPAQXSA-N 310.353 2.893 50 40 DFGB CC[C@@H](C)NC(=O)c1ccc(NC(=O)CBr)cc1 35605269 CZETYOLAYNTLIG-SECBINFHSA-N 313.195 2.548 50 40 DFGB CCOc1ccc(C(=O)N/N=C(\C)c2ccc(O)cc2O)cc1 5593044 ZPZCBMMOCYGNMQ-WOJGMQOQSA-N 314.341 2.651 50 40 DFGB CC(C)(C)C(=O)NNC(=O)Nc1cccc(CC(F)(F)F)c1 95982993 OYKIHIBOYBSPDO-UHFFFAOYSA-N 317.311 2.990 50 40 DFGB CCN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)CCl 79392520 YFUUEUMPIWRLGF-LBPRGKRZSA-N 318.845 2.863 50 40 DFGB CCOc1ccccc1/C=N/NC(=O)Cc1ccc(OC)cc1 585359 VQJBQISEAJTKSI-CPNJWEJPSA-N 312.369 2.787 50 40 DFGB O=C1c2ccc(Br)c(F)c2O[C@@H]1Br 103571561 QEGCYHNZMPDYSY-QMMMGPOBSA-N 309.916 2.884 50 40 DFGB COc1ccc(/C=C(/C#N)c2nc3ccccc3c(=O)[nH]2)cc1 13407995 SRNGRTQASASQIG-RAXLEYEMSA-N 303.321 2.996 50 40 DFGB Cc1c(NC(=O)NNC(=O)c2ccccc2)sc(=S)n1C 4543784 KYCAUUILXVJZGA-UHFFFAOYSA-N 322.415 2.591 50 40 DFGB O=C(N/N=C/c1ccc2c(c1)OCCO2)[C@H]1C[C@@H]1c1ccccc1 5576971 NYTNJCYYWSPRMT-QZZQKYANSA-N 322.364 2.712 50 40 DFGB COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CCl 34925357 UIJPQDJNBYSPGM-UHFFFAOYSA-N 301.129 2.785 50 40 DFGB O=C(CSc1cccc2cccnc12)N/N=C/c1ccncc1 264205 JPFPGPIRWSLVLC-RGVLZGJSSA-N 322.393 2.872 50 40 DFGB O=C(NNC(=O)c1ccccc1F)Nc1ccc(Cl)cc1 2744438 OURUCMNAWHMMSH-UHFFFAOYSA-N 307.712 2.946 50 40 DFGB N#C/C(=C\c1cccc(Br)c1)C(=O)N1CCCC1 3375909 BDPKFAZWKCXDID-XYOKQWHBSA-N 305.175 2.978 50 40 DFGB CC[C@@H](C(=O)NN)N1c2c(OC)cccc2[C@H](C)CC1(C)C 260616335 IRNZGOFTQSQVTB-YPMHNXCESA-N 305.422 2.556 50 40 DFGB C/C(=N/NC(=O)COc1ccccc1)c1cccc([N+](=O)[O-])c1 284582 GFIGSRXMQHMGAF-ATVHPVEESA-N 313.313 2.514 50 40 DFGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(C)c(Cl)c1 2741892 ZTPCKUWPGSHXMF-JYRVWZFOSA-N 315.760 2.783 50 40 DFGB Cc1cc(OCC(=O)N/N=C/c2cccnc2)ccc1Cl 253222 FUMPEBGQLUTFBM-GIJQJNRQSA-N 303.749 2.573 50 40 DFGB CCc1n[nH]c2c1[C@H](c1ccc(OC(C)C)cc1)C(C#N)=C(N)O2 477827 YJBMHDFITVFGSG-OAHLLOKOSA-N 324.384 2.977 50 40 DFGB C/C(=N\NC(=O)Cc1ccc(F)cc1)c1ccc2c(c1)OCO2 8523387 NZHZUOBGMKGZGW-YBFXNURJSA-N 314.316 2.637 50 40 DFGB CCc1ccc(C(=O)n2c(C)c(C(=O)NN)c3ccccc32)cc1 216950600 SJMXDFZPKDKWHW-UHFFFAOYSA-N 321.380 2.804 50 40 DFGB O=C(N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(O)c1 32145328 INAHZRGPVPQLBF-PXNMLYILSA-N 319.704 2.718 50 40 DFGB COc1cc(C)c(/C=N/NC(=O)c2ccccc2F)cc1OC 33751538 DVYBNRHSIDBJAE-VXLYETTFSA-N 316.332 2.915 50 40 DFGB COc1ccc2c(c1)N([C@@H](C(=O)NN)C(C)C)C(C)(C)C=C2C 223213637 UKFWCQBGPPCSOG-MRXNPFEDSA-N 317.433 2.712 50 40 DFGB ClCC(CCl)OC[C@@H]1CO[C@H]([C@@H]2C[C@H]3C=C[C@H]2C3)O1 230316422 ZHMYUXWEIVWJPA-YRASXDPISA-N 307.217 2.803 50 40 DFGB Cc1cc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)c(C)o1 5062866 QFOANXZDWVEHAO-UHFFFAOYSA-N 306.749 2.554 50 40 DFGB COC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccco1 279097 ZUSXFZCVMQJIBO-CQSZACIVSA-N 322.320 2.672 50 40 DFGB Cc1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1[N+](=O)[O-] 567437 KYAFQDHTYSZZAM-RQZCQDPDSA-N 312.285 2.527 50 40 DFGB CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NN)cc1 3193614 FFHONRRMFLDMFU-UHFFFAOYSA-N 306.369 2.705 50 40 DFGB CCOC(=O)/C(C#N)=C/Nc1ccc(OC(F)(F)F)cc1 100943685 CXPFQBSAGAGTAJ-CMDGGOBGSA-N 300.236 2.968 50 40 DFGB N#Cc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1 7385448 SXGSPNSXFMJOOC-KGENOOAVSA-N 318.380 2.922 50 40 DFGB CC(=O)[C@@H]1C/C(=N/NC(N)=O)[C@@H](C)[C@H](Cc2ccccc2)C1 100365430 BHPBRBNOQRVGTP-SZAKBYJKSA-N 301.390 2.505 50 40 DFGB Cc1nn(C)c2c1[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 4674924 PONDYEHTQXHJTC-LBPRGKRZSA-N 318.739 2.739 50 40 DFGB COc1cc(/C=N/NC(=O)c2cn(C)c3ccccc23)ccc1O 553081 BFYQBFNXLVVSLY-VXLYETTFSA-N 323.352 2.656 50 40 DFGB Cc1ccc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc1[N+](=O)[O-] 409388719 WKZIDSMNCCCFCE-NVNXTCNLSA-N 324.340 2.999 50 40 DFGB COc1cccc(/C=N/NC(=O)c2cc(Cl)ccc2O)c1O 5918720 YHLJNSOTELEGFO-CAOOACKPSA-N 320.732 2.524 50 40 DFGB COc1ccc(/C=C(\C#N)C(N)=O)c(Cc2cccc(F)c2)c1 408872951 PUQKBOHUSAKEOQ-OQLLNIDSSA-N 310.328 2.817 50 40 DFGB CCOC(=O)/C(C#N)=C\c1cc(Br)c(N(C)C)o1 408861653 DYRGKHBLFNXNBU-YVMONPNESA-N 313.151 2.578 50 40 DFGB COc1ccccc1NCC(=O)N/N=C1\CCCc2ccccc21 583898 RJUCBAJGBFSFKN-LTGZKZEYSA-N 323.396 2.964 50 40 DFGB CCC(=O)N/N=C(\C)CC(=O)Nc1cc(Cl)ccc1OC 4691116 BBTQLOKYRXAVMS-RQZCQDPDSA-N 311.769 2.579 50 40 DFGB CCN(CC)C(=O)c1cccc(NC(=O)CBr)c1 35605233 XVTHUHRZNPCNGM-UHFFFAOYSA-N 313.195 2.502 50 40 DFGB O=C(N/N=C/c1ccccc1C(=O)O)c1ccccc1Cl 44867352 VPBDYQOZKDGTLY-RQZCQDPDSA-N 302.717 2.802 50 40 DFGB O=C(O)c1ccc(/C=N/NC(=O)c2cc(Cl)ccc2O)cc1 13186864 IHUHIECFSMPHQN-CAOOACKPSA-N 318.716 2.508 50 40 DFGB CC/C(=N\NC(=O)CCn1nnc2ccccc21)c1ccccc1 4756332 SDNVZAKYGSKSCN-XDJHFCHBSA-N 321.384 2.752 50 40 DFGB NNC(=O)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c12 12395805 FXKOADZFLHEFEU-UHFFFAOYSA-N 320.308 2.753 50 40 DFGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccnc2)cc1 16440079 AUPFHLPODZYWPH-XNTDXEJSSA-N 321.336 2.804 50 40 DFGB C[C@H](Oc1ccc(Cl)cc1)C(=O)NN=Cc1cccnc1 6182819 BLRIDBBUDYUETG-NSHDSACASA-N 303.749 2.653 50 40 DFGB CCCCCCCC(=O)NNS(=O)(=O)c1ccc(C)cc1 100961316 FURBWYRBAXLZNP-UHFFFAOYSA-N 312.435 2.665 50 40 DFGB CCCCCOc1ccc(/C=N/NC(=O)c2cnccn2)cc1 2702582 QXPKFVWPDQGJJI-UDWIEESQSA-N 312.373 2.810 50 40 DFGB Cn1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 4045428 OJKMCSBXZMIBEK-VCHYOVAHSA-N 322.324 2.850 50 40 DFGB CCc1sc(C(=O)NNC(=O)c2ccc(F)cc2F)cc1C 6787915 KVSXWYFDPIQEJY-UHFFFAOYSA-N 324.352 2.972 50 40 DFGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/CCc1ccccc1 17032274 PMNGMQRVSSABIT-LDADJPATSA-N 311.341 2.872 50 40 DFGB O=C(N/N=C\c1cccc(Br)c1)c1cccnc1 32704174 YYRXIUPWQFLNDB-PXNMLYILSA-N 304.147 2.608 50 40 DFGB Cc1ccc(C)c(NC(=O)/C(C#N)=C2\N=C(N)c3ccccc32)c1 73641591 KGVPBRGJSCWKEF-ICFOKQHNSA-N 316.364 2.896 50 40 DFGB CC(C)N(C(=O)CCl)C1CCN(C(=O)OC(C)(C)C)CC1 79392552 COQUVGIXHZCCQS-UHFFFAOYSA-N 318.845 2.862 50 40 DFGB ClCC(CCl)OC[C@H]1CO[C@@H]([C@@H]2C[C@@H]3C=C[C@@H]2C3)O1 100934432 ZHMYUXWEIVWJPA-IGJDLRFWSA-N 307.217 2.803 50 40 DFGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(F)c(F)c1 6505559 YSQQWCMLOBRXOY-HNNXBMFYSA-N 300.264 2.889 50 40 DFGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCC#N 408769334 RIPVMNPDBUYMMO-WJDWOHSUSA-N 309.369 2.749 50 40 DFGB NC(=O)N/N=C/c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O 409077599 DWRZGKPKOLUPHV-KEBDBYFISA-N 313.401 2.862 50 40 DFGB CC(C)(C)OC(=O)N1CCC[C@H](n2cc(CCl)nn2)C1 575415054 MDUSPMNVTHVZRE-NSHDSACASA-N 300.790 2.589 50 40 DFGB COc1cc(C)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1C 5818169 MVPUCWPEYPYCSY-OAHLLOKOSA-N 310.357 2.562 50 40 DFGB Cc1ccc(NC(=O)CCC(=O)N/N=C/c2ccncc2)cc1C 6215674 BMAZGTFQIGEMTC-UDWIEESQSA-N 324.384 2.567 50 40 DFGB O=C(N/N=C/c1ccccc1F)c1ccc(Br)o1 2790694 JYOIUDIUZAVKBI-VIZOYTHASA-N 311.110 2.945 50 40 DFGB O=C(CCl)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 3245261 CHHVXNFINXFJEA-UHFFFAOYSA-N 322.714 2.719 50 40 DFGB O=C(N/N=C\c1ccco1)C(O)(c1ccccc1)c1ccccc1 33286554 XZIWXUVDWIGZDV-ZHZULCJRSA-N 320.348 2.666 50 40 DFGB Cc1ccccc1NC(=O)N/N=C\c1ccc(O)c([N+](=O)[O-])c1 169965285 FPTLQKYKFRXJCQ-SXGWCWSVSA-N 314.301 2.764 50 40 DFGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(O)cc2)c1 5163681 AVTWJROQUOJFGC-YBFXNURJSA-N 311.341 2.505 50 40 DFGB COc1ccc(C(=O)N/N=C/c2c(F)cccc2F)cc1OC 481675 XLFHAYXIGNURBZ-DJKKODMXSA-N 320.295 2.746 50 40 DFGB Cc1ccc(C(=O)N/N=C\c2ccc(Br)cc2)cn1 30802859 RUKWFYROEQJVKE-IUXPMGMMSA-N 318.174 2.916 50 40 DFGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1c[nH]c2ccccc12 3211092 CMKHWVLRCNQROG-YBFXNURJSA-N 322.324 2.769 50 40 DFGB C/C(CC(=O)Nc1cc(C)ccn1)=N\NC(=O)c1ccc(C)cc1 4663734 BSNVJMUTDISRNP-KGENOOAVSA-N 324.384 2.833 50 40 DFGB COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c1 408543692 QEJUMKXKWYHIJM-ZSOIEALJSA-N 322.320 2.939 50 40 DFGB CNC(=O)/C(C#N)=C\c1ccc(-c2ccc(C(=O)O)cc2C)o1 96540855 XOVJZNFEWGVNGC-WQLSENKSSA-N 310.309 2.606 50 40 DFGB O=C(N/N=C/c1ccc(OC(=O)c2ccco2)cc1)c1ccco1 59417859 JHOMGWMDEJZSNX-WOJGMQOQSA-N 324.292 2.856 50 40 DFGB O=C(NNC(=O)c1ccccc1Cc1ccccc1)c1ccco1 13021819 VGASVBATPAVBNY-UHFFFAOYSA-N 320.348 2.945 50 40 DFGB C/C(=N\NC(=O)c1ccc2c(c1)OCO2)[C@H]1C[C@H]2CC[C@@H]1C2 5020677 VJIXRXXKKDRDGL-LHHCMAOCSA-N 300.358 2.957 50 40 DFGB CCCC(O)(CCC)C(=O)NN(C(=O)OC)c1ccc(C)cc1 3764945 XVRMUBJJGZMXDC-UHFFFAOYSA-N 322.405 2.930 50 40 DFGB CCc1cc(C(=O)NNC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)cs1 6489861 REPSGWTWMZGFBL-OPQQBVKSSA-N 323.487 2.608 50 40 DFGB O=C(CCc1cccs1)NNC(=O)CCc1cccs1 44980647 SRVJPVIJMKVYFV-UHFFFAOYSA-N 308.428 2.522 50 40 DFGB COC(=O)/C(C#N)=C(/SC)[C@@H]1CCCCC1=C(C#N)C#N 59662415 PCJNNULWJLXCOW-VEOJIXDASA-N 301.371 2.834 50 40 DFGB CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)OCCOC 409094803 GFCNRNXTFLVEPN-XYOKQWHBSA-N 309.749 2.835 50 40 DFGB CCOC(=O)N(NC(=O)CNc1ccccc1)c1ccccc1 4235314 IRUWJWMWRONSQL-UHFFFAOYSA-N 313.357 2.793 50 40 DFGB biogenic Cc1ccn2c(C(=O)N/N=C/c3ccccc3F)c(C)nc2c1 32127500 RBGUXQWJSKDEQG-VXLYETTFSA-N 310.332 2.854 50 40 DFGB Cc1ccc(CC(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)c(C)c1 216045790 STIHDAUMIJUBOP-WQRHYEAKSA-N 311.341 2.904 50 40 DFGB O=C(N/N=C/c1cccc(Cl)c1)c1ccc2c(c1)OCO2 3576514 TZOZGIQPABSQPF-CAOOACKPSA-N 302.717 2.833 50 40 DFGB COc1ccccc1/C=N\NC(=O)CNc1c(C)cccc1C 13285918 CMSJORFKXHNHDR-JAIQZWGSSA-N 311.385 2.874 50 40 DFGB N#CSc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1 13253321 KLHRTVBIEGBPJT-QWHCGFSZSA-N 302.355 2.865 50 40 DFGB COc1ccc(OCc2nc(/C=C(/C#N)C(=O)O)cs2)cc1 63453938 YODZXUHLLRULPB-POHAHGRESA-N 316.338 2.722 50 40 DFGB CC1(C)Oc2ccc(C(=O)N/N=C/c3ccccc3)cc2NC1=O 35291256 GMAPMLYIBHUAID-YBFXNURJSA-N 323.352 2.560 50 40 DFGB O=C1c2cc(Br)cc(F)c2O[C@@H]1Br 169797325 UBNAIVOIZHVWHY-QMMMGPOBSA-N 309.916 2.884 50 40 DFGB COc1ccc(/C(C)=N/NC(=O)c2ccc(F)cc2)cc1OC 13952718 PPFADJJBTLAVGS-YBFXNURJSA-N 316.332 2.997 50 40 DFGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1O 260371 MZNRHTKBCMCCQG-RQZCQDPDSA-N 304.733 2.818 50 40 DFGB N#C/C(=C/c1ccc2c(c1)OCCO2)C(=O)NC1CCCCC1 3570391 JEFDDWNLQLEYIC-UVTDQMKNSA-N 312.369 2.814 50 40 DFGB N#C/C(=C\c1ccc(OCc2nc3ccccc3[nH]2)cc1)C(N)=O 408759365 CVIUSLAJSWOKMY-UKTHLTGXSA-N 318.336 2.534 50 40 DFGB CCOc1ccc2ccc(OCC)c(/C=N/NC(N)=O)c2c1 409005959 GRMYHOPFCQOHJR-VCHYOVAHSA-N 301.346 2.639 50 40 DFGB Cc1cccc(OCCC(=O)NNC(=O)c2cccs2)c1C 31590581 FGZFWINAPGTNJC-UHFFFAOYSA-N 318.398 2.595 50 40 DFGB Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NNC(=O)C1CC1 75146556 PUAKCIKZCIQAND-GFCCVEGCSA-N 303.406 2.622 50 40 DFGB CC[C@@H](C)/C(C)=N\NC(=O)CNC(=O)c1ccc(Cl)cc1 5336941 DCRQWAFYCRQMJF-WENGMCCWSA-N 309.797 2.608 50 40 DFGB CCn1ncc(/C=C(\C#N)C(=O)Nc2ccccc2OC)c1C 17032108 LRMMCBXEDYBSNV-UKTHLTGXSA-N 310.357 2.766 50 40 DFGB COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc3c(cc21)OCO3 203546 FCNVLPMAFZDSCR-QGZVFWFLSA-N 322.320 2.642 50 40 DFGB COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccnc2)c1C 32906944 CWHDFOGBLJHEJZ-MHWRWJLKSA-N 324.384 2.692 50 40 DFGB CC(C)(C)OC(=O)NC[C@@H](Br)CBr 100852681 KOMMXOANUJIAMZ-LURJTMIESA-N 317.021 2.670 50 40 DFGB CCOc1cc2ccccc2cc1C(=O)NNC(=O)c1ccco1 12601712 RIYLNECMIIYRPH-UHFFFAOYSA-N 324.336 2.906 50 40 DFGB C[C@H](CC(=O)NNC(=O)c1ccc(F)cc1)c1ccccc1 6508266 MWEDKFNPBWAYQP-GFCCVEGCSA-N 300.333 2.781 50 40 DFGB C/C(=N\NC(=O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 4694918 YKVXQLGMIKNOEY-LICLKQGHSA-N 301.277 2.888 50 40 DFGB CCOP(=O)(OCC)c1ccccc1OC(=O)CCl 5711338 BVDYUBFJJQIESE-UHFFFAOYSA-N 306.682 2.722 50 40 DFGB CN(C)NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 8032902 JQGLGFHPXWIBEY-UHFFFAOYSA-N 312.398 2.807 50 40 DFGB Cc1nc(CC(=O)NN=C2C3CC4CC(C3)CC2C4)cs1 5166542 VLFBGXKTHWBWTQ-UHFFFAOYSA-N 303.431 2.922 50 40 DFGB C/C(=N\NC(=O)COc1cc(C)cc(C)c1)c1ccc(O)cc1 516710 AUWXGJPNHHLKOC-XMHGGMMESA-N 312.369 2.928 50 40 DFGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc[nH]1 8812671 PBKUEAMTMODHOW-LZYBPNLTSA-N 322.162 2.550 50 40 DFGB Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1ccncc1 1476842 HJNIWCYFEGTLEC-UDWIEESQSA-N 319.368 2.648 50 40 DFGB Cc1ccc(NC(=O)CCl)cc1I 12504995 YKWLFHKFGPRNAC-UHFFFAOYSA-N 309.534 2.777 50 40 DFGB Cc1ccc([C@@H]2NN(c3nc(C)cc(C)n3)C(O)=C2C#N)cc1 14162626 SFMGPDWMHAMSFL-HNNXBMFYSA-N 307.357 2.761 50 40 DFGB C#CCOc1ccccc1/C=N/NC(=O)c1ccc(OCC)cc1 8082123 XQKQDMROGRCLKL-XSFVSMFZSA-N 322.364 2.861 50 40 DFGB CCOc1ccc(/C=N/NC(=O)c2cccnc2)c(OCC)c1 6155574 WIPMCWGTWGPNEE-XDHOZWIPSA-N 313.357 2.643 50 40 DFGB C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1 5362871 NKOTVSSKRRDILS-QGOAFFKASA-N 311.341 2.986 50 40 DFGB Cc1cc(OCC(=O)NNC(=O)c2cccs2)ccc1Cl 569190 UKVMOVCQVNXTMP-UHFFFAOYSA-N 324.789 2.550 50 40 DFGB C[C@H](COc1ccc(Cl)cc1)OS(=O)(=O)CCCl 1603746 GYKONYDAIQVFQF-SECBINFHSA-N 313.202 2.693 50 40 DFGB Cc1ccc(SCC(=O)N/N=C/c2ccccc2O)cc1 8515344 YABRFXIBBONALD-LICLKQGHSA-N 300.383 2.943 50 40 DFGB NC(=O)N/N=C/c1ccc2cccc(OCc3ccccc3)c2n1 13109265 GULRWVMNHIEFJS-RGVLZGJSSA-N 320.352 2.816 50 40 DFGB C/C(=N\NC(=O)Cc1ccc(C)c(C)c1)c1ccc(O)cc1O 409175887 DCINZWIVDGFWDV-CPNJWEJPSA-N 312.369 2.798 50 40 DFGB O=C(CCl)NC1CCN(c2nc3ccccc3s2)CC1 43220346 CXKZAOZFJLHKOV-UHFFFAOYSA-N 309.822 2.620 50 40 DFGB O=C(N/N=C/c1ccccc1O)Nc1cccc2nsnc12 16449046 ICHWJBYLSPXUQN-OVCLIPMQSA-N 313.342 2.553 50 40 DFGB NNC(=O)c1cc(Cl)c(OCc2cccnc2)c(Cl)c1 226321737 CRQBXADNSWWDEP-UHFFFAOYSA-N 312.156 2.571 50 40 DFGB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Cl)cc1 4137132 CRDFPOWTMUIITI-JTQLQIEISA-N 301.795 2.629 50 40 DFGB CCC1=C(C(=O)OC)[C@@H](c2ccccc2Cl)C(C#N)=C(N)O1 4652845 KSQAAPMKAWNSCM-ZDUSSCGKSA-N 318.760 2.985 50 40 DFGB C#CCOc1ccc(/C=N/NC(=O)c2ccccc2C)cc1OC 9201955 KBJSMVLZCUXFAA-DEDYPNTBSA-N 322.364 2.780 50 40 DFGB N#Cc1ccc(C(=O)[C@H](Br)CBr)cc1 307747276 YECMUECZYWPLES-SECBINFHSA-N 316.980 2.899 50 40 DFGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])o1 5784592 HRSUSJHRQFSVAN-AMUUTIQOSA-N 303.318 2.790 50 40 DFGB Cc1nn(CC(=O)N/N=C/c2ccc(F)s2)c(C)c1Cl 252509391 YMVFZKHANNWMAO-PJQLUOCWSA-N 314.773 2.504 50 40 DFGB C=CCNC(SCC(=O)c1ccc(F)cc1)=C(C#N)C#N 6780813 QGSAWVAEGKYIGT-UHFFFAOYSA-N 301.346 2.776 50 40 DFGB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N/N=C1\CCc2ccccc21 8499803 QXBPLPWTSVHMQB-WMOYVWFSSA-N 319.364 2.792 50 40 DFGB CCOC(=O)c1oc2ccc(OC)cc2c1NC(=O)CCl 3154948 QDYLFPSAJBOMHV-UHFFFAOYSA-N 311.721 2.795 50 40 DFGB O=C(N/N=C/c1c[nH]c2ccccc12)[C@@H]1OCCc2ccccc21 26503695 BBENSFACUZURNO-AGKWGAAGSA-N 319.364 2.932 50 40 DFGB Cc1n[nH]c2c1[C@@H](c1ccccc1C(F)(F)F)C(C#N)=C(N)O2 4354280 KIXZAVUQFPJPGA-LBPRGKRZSA-N 320.274 2.955 50 40 DFGB COc1ccc(C(=O)N/N=C/c2cccc(Cl)c2)c(O)c1 409390361 CPBVBZVWGJRVOI-RQZCQDPDSA-N 304.733 2.818 50 40 DFGB CC(=O)N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 409186751 HKQYEZHJJBPBMY-OVCLIPMQSA-N 300.343 2.777 50 40 DFGB O=C(N/N=C/c1ccccc1Cl)[C@H]1COc2ccccc2O1 177430 FYZBDZZINUMYNE-QANDDYDISA-N 316.744 2.630 50 40 DFGB N#CC1=C(N)N(c2ccccc2)[C@H](c2ccccc2)C1(C#N)C#N 521212 VPVNUZANVWHEPW-QGZVFWFLSA-N 311.348 2.975 50 40 DFGB Cc1ccc(OCC(=O)NN=C(CCl)CCl)cc1C 100244338 IZHXNAHXBIEIBB-UHFFFAOYSA-N 303.189 2.632 50 40 DFGB COC(=O)/C(C)=C(\CCC1(C)OCCO1)O[Si](C)(C)C 195760587 MTGBZTUPUUIXSN-VAWYXSNFSA-N 302.443 2.828 50 40 DFGB O=C(CCl)Nc1ccccc1C(=O)NCc1cccs1 152676 KNLGVHBPSJMLMS-UHFFFAOYSA-N 308.790 2.855 50 40 DFGB COc1ccccc1NCC(=O)N/N=C/c1c[nH]c2ccccc12 113985 ABEWWBNYQNDOJE-SRZZPIQSSA-N 322.368 2.739 50 40 DFGB O=C(/C=C/c1ccco1)NNC(=O)c1cc2c(s1)CCCC2 3374718 BTLMZDWUWLZCJI-BQYQJAHWSA-N 316.382 2.694 50 40 DFGB C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 5620914 HSVGHCKVKBBCTQ-WOJGMQOQSA-N 315.304 2.817 50 40 DFGB CN1C(=O)/C(=C(/C#N)c2nc3ccccc3[nH]2)c2ccccc21 4864959 IUWNUNNVZURICD-VBKFSLOCSA-N 300.321 2.974 50 40 DFGB CS(=O)(=O)[C@H](Cl)[C@H](O)c1ccc(Cl)cc1Cl 96518884 ZZPIOMPHJZBFLA-BDAKNGLRSA-N 303.594 2.636 50 40 DFGB CS(=O)(=O)[C@H](Cl)[C@H](O)c1ccc(-c2ccccc2)cc1 96518840 IDYOGPIUQRCDTA-CABCVRRESA-N 310.802 2.997 50 40 DFGB COc1ccc(C(=O)N/N=C(\C)C2=NCc3ccccc3N2)cc1 102595860 AYCNAPPCBGGOTQ-CIAFOILYSA-N 322.368 2.825 50 40 DFGB CCOc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1 3352222 WPOZOVFSZQVRCE-UHFFFAOYSA-N 318.760 2.814 50 40 DFGB CC(C)Oc1ccc(C(=O)NNC(=O)C[C@@H]2C=CCC2)cc1 12991393 HRRUDILZQBLCNY-CYBMUJFWSA-N 302.374 2.591 50 40 DFGB C[C@@H](CC(=O)NNC(=O)c1ccc(F)cc1)c1ccccc1 6508264 MWEDKFNPBWAYQP-LBPRGKRZSA-N 300.333 2.781 50 40 DFGB N#CC(C(=O)CO/N=C/c1ccccc1)=C1Nc2ccccc2N1 5790605 DQUTULWRQJMLOH-RGVLZGJSSA-N 318.336 2.879 50 40 DFGB ClCC(CCl)OC[C@H]1CO[C@@H]([C@@H]2C[C@H]3C=C[C@@H]2C3)O1 5377146 ZHMYUXWEIVWJPA-SZZQBSIJSA-N 307.217 2.803 50 40 DFGB COc1ccc([C@@H]2[C@@H]3CCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 42422 WCHAKJWMMRWZLX-NVXWUHKLSA-N 316.364 2.899 50 40 DFGB CC1(C)Cc2c(sc3ncn4nc(CCl)nc4c23)CO1 15083608 BRNMSZUWJVABAL-UHFFFAOYSA-N 308.794 2.929 50 40 DFGB CCOC(=O)/C(C#N)=C/c1ccc(Sc2nccc(C)n2)o1 409272830 HLDYRFTYTLYUGC-DHZHZOJOSA-N 315.354 2.999 50 40 DFGB CCN(C(=O)CCl)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 79392529 GTSMEMIOWCPCOG-NWDGAFQWSA-N 318.845 2.910 50 40 DFGB C[C@@H](NC(=O)/C(C#N)=C\c1ccc(O)c(O)c1)c1ccccc1 3871436 UMGQVUWXNOJOSJ-CDCQXCROSA-N 308.337 2.882 50 40 DFGB in-vitro C=CCOc1ccccc1/C=C(\C#N)C(=O)NCc1cccnc1 27019311 OESQSLSLBHPESG-GZTJUZNOSA-N 319.364 2.870 50 40 DFGB COc1ccccc1NCC(=O)N/N=C(\C)c1cccs1 4551574 DLZRZLZHFFNELP-GZTJUZNOSA-N 303.387 2.709 50 40 DFGB Cc1ccc(C(=O)N/N=C/C=C/c2cccc([N+](=O)[O-])c2)cn1 3141954 ZDBHPTFDYHOFOL-OBQYLLBLSA-N 310.313 2.727 50 40 DFGB Cc1cc2c(c(=O)o1)[C@@H](c1ccc(Cl)s1)C(C#N)=C(N)O2 8783259 LIEITAIFBIIEEV-LLVKDONJSA-N 320.757 2.881 50 40 DFGB COc1ccccc1/C=N/NC(=O)c1ccc(C)c([N+](=O)[O-])c1 5618288 OMKWNAZUOPTOCL-LICLKQGHSA-N 313.313 2.676 50 40 DFGB Cc1c(C(=O)O)cccc1-c1ccc(/C=C(/C#N)C(=O)N(C)C)o1 15225503 RCEILGPJESSNCG-XFXZXTDPSA-N 324.336 2.948 50 40 DFGB COc1cc(C(=O)NN)ccc1OCc1ccccc1Cl 226306118 JBVONRKYUYHWEJ-UHFFFAOYSA-N 306.749 2.531 50 40 DFGB COc1cc(C(=O)[C@@H](C)Br)cc(OC)c1OC 1600139 UBCRYYSRRCGWIJ-SSDOTTSWSA-N 303.152 2.679 50 40 DFGB C/C(=N\NC(=O)[C@@H]1[C@H]2CCCC[C@@]21C)c1ccc(O)cc1O 100177062 UWZUWLWVQGMCKJ-ORNDDERHSA-N 302.374 2.764 50 40 DFGB CCOC(=O)/C(C(=O)CCl)=C(\C)Nc1ccc(OC)cc1 100460621 ZHSSVOWJAVLWPC-GXDHUFHOSA-N 311.765 2.752 50 40 DFGB Cc1ccc(CCCC(=O)NNC(=O)c2ccccc2F)cc1 40140323 TXRPTGFACOOKPM-UHFFFAOYSA-N 314.360 2.918 50 40 DFGB COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1O 116349 WHUIOVAEOBOYMU-RQZCQDPDSA-N 304.733 2.818 50 40 DFGB O=C(N/N=C/C=C/c1ccccc1)[C@H]1COc2ccccc2O1 3527153 CECPXHIJGHVSQP-VTLCYSDDSA-N 308.337 2.642 50 40 DFGB CCCC(=O)NNC(=O)c1sc(-c2ccccc2)nc1C 12688583 NUMKZCVEITUNHH-UHFFFAOYSA-N 303.387 2.680 50 40 DFGB N#CC(C#N)=C1C(=O)N(CN2CCCCCC2)c2ccccc21 59488430 MMMKOHAKJLTTEM-UHFFFAOYSA-N 306.369 2.667 50 40 DFGB O=C(NC[C@@H]1CCCCN1C(=O)CCl)OCc1ccccc1 79411777 WYSSUBBAAYZLGO-AWEZNQCLSA-N 324.808 2.533 50 40 DFGB O=C(CCl)N(Cc1ccnc(Br)c1)C1CC1 79421702 GXGLGLAYNGEADR-UHFFFAOYSA-N 303.587 2.574 50 40 DFGB CC(C)OC(=O)/C(C#N)=C/Nc1ccc(Br)cn1 101645833 IVFBVOXXLOGJGY-RMKNXTFCSA-N 310.151 2.615 50 40 DFGB N#C/C(=C/c1ccc(N2CCOCC2)o1)c1ccc(C(=O)O)cc1 408541985 IPLWMUHAYINURH-PTNGSMBKSA-N 324.336 2.879 50 40 DFGB CC(C)c1cc(Br)ccc1-n1cccc1C(=O)NN 223735191 YGGTXBFNCAANFK-UHFFFAOYSA-N 322.206 2.967 50 40 DFGB CCOc1ccc(/C=N/NC(=O)Cc2ccc(OC)cc2)cc1 585357 NDPUBLZBAXEECC-CPNJWEJPSA-N 312.369 2.787 50 40 DFGB CCCCCc1ccc(C(=O)NNC(=O)c2ccncc2)cc1 5792667 AGQABYCAFZEYJK-UHFFFAOYSA-N 311.385 2.889 50 40 DFGB C[C@]1(C(=O)NNC(=S)Nc2ccccc2)CC1(Cl)Cl 5394041 IHYMUTUJHWMHPO-LLVKDONJSA-N 318.229 2.588 50 40 DFGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(F)cc1F 5945583 CUWBFZGKWIUUQV-HNNXBMFYSA-N 300.264 2.889 50 40 DFGB CCOC(=O)/C(C#N)=C/Nc1sc(CC)cc1C(=O)OCC 6848072 FXUAXTHKLLBKQB-MDZDMXLPSA-N 322.386 2.870 50 40 DFGB N#Cc1ccccc1Cn1cc(/C=N/NC(N)=O)c2ccccc21 107685868 GLNQNKUTHGFRNE-UFFVCSGVSA-N 317.352 2.563 50 40 DFGB COc1ccc2ccc(OC)c(/C=C(/C#N)C(=O)N(C)C)c2c1 408844934 JCZWKASIZJWMLF-LCYFTJDESA-N 310.353 2.852 50 40 DFGB C/C(=N\NC(=O)Cc1ccc(C)cc1)c1ccc2c(c1)OCCO2 409360016 CXUAKHYFXMRHMK-XSFVSMFZSA-N 324.380 2.849 50 40 DFGB C[C@@H](Nc1ccccc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 2753189 MCQOJJWJVROROI-PBSOMRJOSA-N 312.329 2.546 50 40 DFGB CCN(CC)c1nc2cc(C)ccc2cc1/C=C(/C#N)C(N)=O 33405206 SYPLOYPHKMSNCI-GDNBJRDFSA-N 308.385 2.782 50 40 DFGB Cc1cccc(/C=N\NC(=O)COc2ccccc2Cl)c1O 28616248 IQFDGWNGOQWNCV-NVMNQCDNSA-N 318.760 2.883 50 40 DFGB C/C(N)=C(\C#N)c1csc(Nc2ccc3c(c2)OCCO3)n1 28740203 IKARPUILDSXCOH-LUAWRHEFSA-N 314.370 2.871 50 40 DFGB C[C@H](NC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])o1)c1ccccc1 6522007 YKAPTNHJXOXVNR-KWJWQAOWSA-N 311.297 2.972 50 40 DFGB COC(=O)c1ccc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1 5526429 BTUTZQCSYLDOAN-UIPUUYQRSA-N 322.364 2.727 50 40 DFGB CC(C)CC(=O)Nc1ccc(C(=O)N/N=C/c2ccccn2)cc1 8560195 WOWBVAGPAXYGAW-UDWIEESQSA-N 324.384 2.830 50 40 DFGB Cc1ccc(NNC(=O)c2cncc(Br)c2)cc1 62720671 QNPLUKVIQOWUJR-UHFFFAOYSA-N 306.163 2.909 50 40 DFGB CCN(Cc1ccccc1)C[C@H]1CCCN(C(=O)CCl)C1 79414931 WTEQNYWOAGDAOD-MRXNPFEDSA-N 308.853 2.986 50 40 DFGB CCOc1ccc(C(=O)NN)cc1CSc1ccccc1 224648378 IJUCNSJAYDEIJS-UHFFFAOYSA-N 302.399 2.981 50 40 DFGB O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(F)cc1 3194731 NKZCGGKQVJITET-UHFFFAOYSA-N 306.205 2.861 50 40 DFGB O=C(Cl)c1ccc(N2C[C@H](C(=O)Cl)CC2=O)c(Cl)c1 100680336 KMLOYORLJOMDQU-SSDOTTSWSA-N 320.559 2.837 50 40 DFGB C[C@H](Cl)C(=O)Nc1ccccc1C(=O)NCc1ccco1 39946624 PXJNTWFBOUAIBE-JTQLQIEISA-N 306.749 2.775 50 40 DFGB in-vitro CC(=O)N/N=C/c1c(C)nn(Cc2ccc(F)cc2)c1Cl 7737730 GKJJPMDBOLQQQI-REZTVBANSA-N 308.744 2.502 50 40 DFGB COc1ccc(C(=O)NN=C2Cc3ccccc3C2)cc1OC 8102963 LYDFMSKJFZOOFN-UHFFFAOYSA-N 310.353 2.588 50 40 DFGB N#C/C(=C/c1ccco1)c1nc(N)nc(Nc2ccccc2)n1 96931111 ADUMVLXYPGXJSJ-LUAWRHEFSA-N 304.313 2.855 50 40 DFGB O=C(CCl)NC[C@H]1CCCCN1C(=O)OCc1ccccc1 79392623 BRKKDMWXMVTTFU-CQSZACIVSA-N 324.808 2.533 50 40 DFGB CC(C)C[C@@H](Br)C(=O)Nc1ccccc1C(N)=O 344402 SJSSPNMDWMSUNY-SNVBAGLBSA-N 313.195 2.534 50 40 DFGB Cc1cc(C(=O)NNC(=O)c2ccccc2)c2ccccc2n1 8290348 OKNINEGICMLPSW-UHFFFAOYSA-N 305.337 2.618 50 40 DFGB CC(C)(C)OC(=O)N1CCC[C@@H]1CN(C(=O)CCl)C1CC1 79392577 QKFSDSHZPRKGBQ-GFCCVEGCSA-N 316.829 2.616 50 40 DFGB NNC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 226256897 NSGWYCGTSVNNKD-ZZXKWVIFSA-N 307.693 2.511 50 40 DFGB C=CCOc1cccc(/C=N/NC(=O)Cc2ccccc2)c1O 5725853 VKKWUHMNKKRMSL-CPNJWEJPSA-N 310.353 2.650 50 40 DFGB COc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1OC 13371728 FPNGJZYERFZUKI-LCYFTJDESA-N 300.358 2.670 50 40 DFGB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N/N=C/c1ccc(O)cc1O)C2 5270059 JDYRNBZSLPHWPF-ONORYSHOSA-N 314.385 2.930 50 40 DFGB CCOC(=O)/C(C#N)=C/c1ccc(NC(=O)c2ccccn2)cc1 5523419 HMWWTQRTYFVKMI-SDNWHVSQSA-N 321.336 2.804 50 40 DFGB N#C/C(=C/C1=Cc2ccccc2OC1)C(=O)NCc1ccco1 582218 ODDBKIMVLPVUIJ-DHDCSXOGSA-N 306.321 2.822 50 40 DFGB COc1ccc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@]23C)cc1OC 100175406 SJSMAYIKPRLJRB-POXTWVIISA-N 316.401 2.980 50 40 DFGB Cc1ccc2c(c1)C(=C(C#N)C#N)C(=O)N2CCN1CCCCC1 2218456 UARQMLQQYNCNHA-UHFFFAOYSA-N 320.396 2.628 50 40 DFGB CC(C)[C@@H]1CC[C@@H](C)C/C1=N\NC(=O)CN1CCCCCC1=O 84689045 KCXPNPFULGWWTA-JWURABDDSA-N 321.465 2.953 50 40 DFGB COc1ccc(/C=N/NC(=O)Cc2ccc(C)cc2)cc1OC 516812 HMZSSSMXUJJXRO-XDHOZWIPSA-N 312.369 2.705 50 40 DFGB COc1ccc(/C=N/NC(=O)COc2cccc(C)c2C)cc1 87966 OLGLZFXSVQNSIG-YBFXNURJSA-N 312.369 2.841 50 40 DFGB CCO[C@@H]1C[C@H]2[C@H](Cl)[C@@H]1NC2(C(F)(F)F)C(F)(F)F 34735834 RSEPZTQGKVOSMQ-BNHYGAARSA-N 311.653 2.854 50 40 DFGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(CC)s1 43742 RTZGMTPVLUFFGY-AWEZNQCLSA-N 318.398 2.955 50 40 DFGB CC(C)(C)NC(=O)c1ccc(NC(=O)CBr)cc1 35605263 JHVYTTDLVFVGNQ-UHFFFAOYSA-N 313.195 2.548 50 40 DFGB O=C(N/N=C/c1c(F)c(F)c(F)c(F)c1F)c1ccncc1 2098313 DDLPYEMVPZSLQU-DENHBWNVSA-N 315.201 2.541 50 40 DFGB CSc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1 4694149 VXMLRQAUUHMLFS-VUVCFOEZSA-N 300.383 2.592 50 40 DFGB N#C/C(C(=O)Nc1ccccc1F)=C1/C(=O)Nc2ccccc21 408817634 LXTVLPIBTRMQDI-PTNGSMBKSA-N 307.284 2.694 50 40 DFGB CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)OC(=O)[C@@H]12 68572338 XBXLNFDKAGAPGL-JZFKGDSASA-N 304.345 2.941 50 40 DFGB COC(=O)N[C@@H]1CCC=CCC[C@@H]1I 18155024 PYBGGNVEOFVCKL-DTWKUNHWSA-N 309.147 2.645 50 40 DFGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2cccc(C)n2)cc1 59514882 WZKSQLDWJKRQBD-WOJGMQOQSA-N 310.357 2.502 50 40 DFGB COC(=O)N/N=C/c1c(C)nn(Cc2ccc(C)cc2)c1C 3574814 HMVODBQXLTYGAZ-RQZCQDPDSA-N 300.362 2.547 50 40 DFGB O=C(CCl)N(C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 79393760 ARNXIEASABXUFW-MRXNPFEDSA-N 306.837 2.881 50 40 DFGB O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1ccccc1F 83325003 QFSXOBQIMNPSNT-PUMYGXPMSA-N 300.333 2.790 50 40 DFGB COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)ccc1O 13562637 QXRPAXQHBHNUDQ-SXKSMHOPSA-N 302.374 2.677 50 40 DFGB COc1ccccc1/C=N/NC(=O)CC[C@H](O)c1ccccc1 83319781 GUERIUHZGXDSLG-HUCUOGIVSA-N 312.369 2.659 50 40 DFGB COc1cc(/C=N/NC(=O)/C=C/c2ccc(C)cc2)ccc1O 409060078 SJRNLDVPLHUKTR-SLUIUKIVSA-N 310.353 2.873 50 40 DFGB COc1ccc(O)c(/C=C(\C#N)C(=O)Nc2ccccc2OC)c1 549168 UNEQMMSBCWWDKS-UKTHLTGXSA-N 324.336 2.955 50 40 DFGB COc1ccc(/C=N/NC(=O)CCCc2ccc(O)cc2)cc1 4699982 DMQBLLXVGFTHSR-CPNJWEJPSA-N 312.369 2.874 50 40 DFGB CC(=O)N/N=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 409019658 KCGOGVHKRUMHBB-FRKPEAEDSA-N 306.705 2.768 50 40 DFGB CO[C@@H]1[C@H](Br)[C@@](C)(OC)c2ccccc2N1C#N 5390267 GLYBQGPDICIFIK-XQQFMLRXSA-N 311.179 2.585 50 40 DFGB O=C(N/N=C\c1ccc2c(c1)CCC2)c1ccccc1[N+](=O)[O-] 4582329 SKWWONMDYXCJLZ-WQRHYEAKSA-N 309.325 2.847 50 40 DFGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(O)c(OC)c2)c1 16409797 RPEXMDYKAZCALD-MDWZMJQESA-N 324.336 2.955 50 40 DFGB CCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(N(C)C)cc2)C1=O 16752928 QBEFDEQWPKUSQP-WJDWOHSUSA-N 323.396 2.755 50 40 DFGB C/C(=N\NC(=O)c1ccccc1Br)c1ccccn1 5289358 VOHKIAZWKOGQON-LICLKQGHSA-N 318.174 2.998 50 40 DFGB CCCc1[nH]nc2c1[C@H](c1ccc(N(C)C)cc1)C(C#N)=C(N)O2 6664675 RMBNKEAPXOWSDH-OAHLLOKOSA-N 323.400 2.646 50 40 DFGB Fc1ccc(CNC2=NC[C@@H](CBr)S2)cc1 5750499 YMXKZZPVPISTCP-SNVBAGLBSA-N 303.200 2.782 50 40 DFGB COc1cccc(/C=N\NC(=O)Cc2ccc(C)cc2)c1OC 409366315 UGEKIZHTCAVLNQ-UNOMPAQXSA-N 312.369 2.705 50 40 DFGB COc1ccc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1 7068609 MYRYOXZKLMMYSS-WJDWOHSUSA-N 322.364 2.927 50 40 DFGB COc1cc(/C(C)=N/NC(=O)c2cc(C)oc2C)ccc1O 550095 ZXLBJGVVOSBXOU-LICLKQGHSA-N 302.330 2.765 50 40 DFGB CCn1c(C)nc2cc(C(=O)N/N=C/c3ccc(O)cc3)ccc21 549844 OOVFXFISDWMOAK-YBFXNURJSA-N 322.368 2.834 50 40 DFGB COc1ccc([N+](=O)[O-])cc1CN(CCCl)CCCl 1614478 HJXAEINZPCHBPO-UHFFFAOYSA-N 307.177 2.883 50 40 DFGB CSCc1ccc(C(=O)NNC(=O)c2ccc(F)cc2)cc1 7698979 DICSHLUHZLLQTF-UHFFFAOYSA-N 318.373 2.764 50 40 DFGB CC(=O)N/N=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 409010540 FNFYUMMDQOLLAW-APSNUPSMSA-N 306.705 2.768 50 40 DFGB CCOC(=O)/C(C#N)=C\c1ccc(N2CCC(Cl)=N2)cc1 4503136 BVHZGKZEZQZWKF-XFXZXTDPSA-N 303.749 2.919 50 40 DFGB CNC(=O)/C(C#N)=C/c1cc(Cl)ccc1OC[C@@H]1CCCO1 96433625 MCPKBJAHUGSBHD-GMMCIKNFSA-N 320.776 2.551 50 40 DFGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)OCC)cc1OC 13141558 JGVPHBKSMKXYIS-KPKJPENVSA-N 319.744 2.831 50 40 DFGB CCC/C(=N\NC(=O)CNC(=O)c1ccccc1)c1ccccc1 5208626 KPXWRAFFDLMJGV-HEHNFIMWSA-N 323.396 2.737 50 40 DFGB O=C(NNC(=O)N1CC=C(c2ccccc2)CC1)c1ccccc1 40068946 LTWFPMXWAYHLMV-UHFFFAOYSA-N 321.380 2.830 50 40 DFGB Cc1cccc(OCC(=O)N/N=C2/CC(=O)CC(C)(C)C2)c1 100146765 SRIPESZBPLNLTP-AQTBWJFISA-N 302.374 2.625 50 40 DFGB C/C=C1/CN2CC[C@]34C(=C(C=O)[C@H]1C[C@H]23)Nc1c(O)cccc14 3999136 JDOFCMASVRMYJU-JYTRXFNOSA-N 308.381 2.563 50 40 DFGB biogenic COC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 8053552 RPOJAYRAXLTRDU-VGOFMYFVSA-N 324.336 2.903 50 40 DFGB O=C1N=C(N2CCCCC2)S/C1=C/c1cnn(CCCl)c1 96316207 YYBZPEJARCTYCF-XYOKQWHBSA-N 324.837 2.578 50 40 DFGB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NNC(=O)Cc2ccccc2)o1 16229346 XQZRPEIXIZPHTH-XCUOTZKBSA-N 324.380 2.806 50 40 DFGB C[C@@H]1Oc2ccccc2C=C1/C=N/NC(=O)c1ccccc1O 503757 XQFSOUIKNCXTGR-MKFNJMOCSA-N 308.337 2.972 50 40 DFGB CCOc1cc(/C=C(\C#N)C(=O)NC(C)C)cc(Cl)c1O 3570638 VMFKLHREKMKRSM-VZUCSPMQSA-N 308.765 2.876 50 40 DFGB CCCCNC(=O)/C(C#N)=C/c1c(Cl)nc2ccccn12 13141595 PYQBVPHIJBPXFZ-PKNBQFBNSA-N 302.765 2.811 50 40 DFGB Cc1csc([C@@H]2C(=O)NC(S)=C(C#N)C23CCCC3)n1 4205469 CFOSPKQXEORSJV-JTQLQIEISA-N 305.428 2.890 50 40 DFGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccccn1 4735263 FBWIUCAOSBBMEL-LICLKQGHSA-N 318.174 2.537 50 40 DFGB Cc1[nH]c2ccc(C(=O)NNC(=O)c3cccs3)cc2c1C 6758487 FTCZARNDOONJTR-UHFFFAOYSA-N 313.382 2.921 50 40 DFGB O=C(CCl)N1CCC[C@H]1CN(Cc1ccccc1)C1CC1 79415069 IGGRBXBUXRFIHC-INIZCTEOSA-N 306.837 2.881 50 40 DFGB COc1cc(C(=O)NN)ccc1OCc1ccc(F)cc1Cl 216809913 VPRGXNUVQGADQH-UHFFFAOYSA-N 324.739 2.670 50 40 DFGB CCOc1ccc(/C=N/NC(=O)c2ccccc2O)cc1OC 43330 AKCNAUAKEZLLES-WOJGMQOQSA-N 314.341 2.563 50 40 DFGB Cc1cc2c(c(=O)n1C1CC1)[C@H](c1ccccc1)C(C#N)=C(N)O2 2436536 DNOIVVSUVBNRCC-MRXNPFEDSA-N 319.364 2.710 50 40 DFGB C[C@@H](Oc1ccccc1)C(=O)NNC(=O)c1cccc(Cl)c1 2644649 GSQUTFGKKOINCJ-LLVKDONJSA-N 318.760 2.569 50 40 DFGB COC(=O)[C@@H](Br)[C@H](OC)c1ccc(Cl)cc1 1570106 RBVQIIHMBAAIRW-VHSXEESVSA-N 307.571 2.964 50 40 DFGB O=c1c2ccccc2c(=O)n2n1[P@](Cl)C[P@]2Cl 104267072 GDKFQEGPAOGXBL-CALCHBBNSA-N 307.013 2.932 50 40 DFGB Cc1sc2nc(/C(C#N)=C3\C=CC=CN3C)[nH]c(=O)c2c1C 12699363 GHQYRLOKDQKNND-VAWYXSNFSA-N 310.382 2.851 50 40 DFGB Cc1n[nH]c2c1[C@H](c1ccccc1C(F)(F)F)C(C#N)=C(N)O2 4354286 KIXZAVUQFPJPGA-GFCCVEGCSA-N 320.274 2.955 50 40 DFGB CCn1ncc(/C=C(\C#N)S(=O)(=O)c2ccccc2)c1C 17030698 RDYUCDQCNBHYHA-OQLLNIDSSA-N 301.371 2.550 50 40 DFGB CCOc1cc(C(=O)NN)cc(Cl)c1OCc1ccccc1 216836398 AAEIROBUJHYVGD-UHFFFAOYSA-N 320.776 2.921 50 40 DFGB N#CSC1=C(/C=N/NS(=O)(=O)c2ccccc2)CCCC1 5604144 FBYTYZTVQXUUJH-MHWRWJLKSA-N 321.427 2.993 50 40 DFGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cccnc2)cc1 509130 TUSHKNGRPVNFTE-UDWIEESQSA-N 311.385 2.908 50 40 DFGB O=C(N/N=C/c1cc(Cl)c(O)c2ncccc12)c1ccco1 59459129 YBPBPMOZNVBKHL-QGMBQPNBSA-N 315.716 2.951 50 40 DFGB C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@@H]3CC=CCC3)cc2C1 15762274 COPCWKAZYVMJRF-VXGBXAGGSA-N 318.442 2.990 50 40 DFGB C[C@@]1(C(=O)NNC(=S)Nc2ccccc2)CC1(Cl)Cl 5394108 IHYMUTUJHWMHPO-NSHDSACASA-N 318.229 2.588 50 40 DFGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(O)cc2)[C@@H]2CCCC=C12 19287779 ZOCRMFXOQMNDGL-WBVHZDCISA-N 316.364 2.986 50 40 DFGB Cc1ccc(CC(=O)N/N=C/c2ccccc2OCC#N)cc1C 408569050 YMQCUPWSFNFSIN-FYJGNVAPSA-N 321.380 2.899 50 40 DFGB O=C(N/N=C\c1cccc(Br)c1)c1ccccn1 33294567 MTGQLKJIZUCMQL-SXGWCWSVSA-N 304.147 2.608 50 40 DFGB Cc1c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cnn1C(C)C 253394185 ASGUVQLYHCBJIT-HNNXBMFYSA-N 312.373 2.587 50 40 DFGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(CN)cc2)cc1 3290510 QBXSPUSIMFUWTP-KGENOOAVSA-N 324.428 2.755 50 40 DFGB Cc1n[nH]c(C)c1NC(=O)c1ccc(NC(=O)[C@H](C)Cl)cc1 14404506 STUZIKJUJPKSJZ-QMMMGPOBSA-N 320.780 2.845 50 40 DFGB O=C(N/N=C/c1cccc(Br)c1)c1cccc(O)c1 3579915 WGVKGPOLHVJRRO-CXUHLZMHSA-N 319.158 2.919 50 40 DFGB Cc1ccc(SCC(=O)NNC(=O)c2ccccc2)cc1C 3605475 PVSNWDMQSZDEOX-UHFFFAOYSA-N 314.410 2.857 50 40 DFGB Cc1cccc(NC(=S)NNC(=O)c2ccsc2C)c1 6256618 HDYJJHFMNNUBFC-UHFFFAOYSA-N 305.428 2.996 50 40 DFGB Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2ccccc2F)c1 6419021 XUGYGZMJEDSNRH-VXLYETTFSA-N 313.332 2.531 50 40 DFGB O=C(N/N=C/c1cccc2c1OCCO2)c1ccc(Cl)cc1 54861695 AGFIAUDTVAEVHF-VCHYOVAHSA-N 316.744 2.875 50 40 DFGB BrCCOCCOCCOCc1ccccc1 167079098 ALQCMVLZSDVCQF-UHFFFAOYSA-N 303.196 2.631 50 40 DFGB NNC(=O)c1ccc(Cc2ccccc2)n1Cc1ccc(F)cc1 226028040 QPNFQPGMOKHNMR-UHFFFAOYSA-N 323.371 2.870 50 40 DFGB Cc1cc(C(=O)NNC(=O)c2c(F)cccc2Cl)c(C)o1 8277576 PQZCDJVUAUHPBV-UHFFFAOYSA-N 310.712 2.764 50 40 DFGB O=c1c2[nH]c3ccccc3c2ncn1CCCBr 2270680 WCGNXYAQHNTGQB-UHFFFAOYSA-N 306.163 2.663 50 40 DFGB CC(C)NC(=O)/C(C#N)=C\c1ccc(O)c(Br)c1 69009107 CXHZZJVGFDIZHQ-YHYXMXQVSA-N 309.163 2.586 50 40 DFGB CCCC(CCC)=NNC(=O)C(=O)N[C@@H](C)c1ccccc1 59434298 WGCHFSZLSGQXAC-ZDUSSCGKSA-N 303.406 2.936 50 40 DFGB COC(=O)c1cccc(N/C=C(\C#N)C(=O)Nc2ccccc2)c1 57413974 VDFWHODSYSHGKF-WYMLVPIESA-N 321.336 2.931 50 40 DFGB Cc1ccccc1OCC(=O)NNC(=O)CCC1CCCCC1 6510500 VURSWIBDCOEVFZ-UHFFFAOYSA-N 318.417 2.882 50 40 DFGB C/C(=N/NC(=O)c1ccc(Br)cc1)c1cccnc1 15997695 NFYDLSZURGNFKI-YVLHZVERSA-N 318.174 2.998 50 40 DFGB C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)N/N=C/c1ccc(O)cc1O)C2 100869167 JDYRNBZSLPHWPF-KJXPIBEZSA-N 314.385 2.930 50 40 DFGB COCCCCNS(=O)(=O)c1ccc(CCCCl)cc1 58173989 JUYKQQSHMLMUMJ-UHFFFAOYSA-N 319.854 2.563 50 40 DFGB N#CC(C#N)=Cc1c(Oc2ccccc2)nc2ccccn2c1=O 2423070 IZFXCRWRRFCEFX-UHFFFAOYSA-N 314.304 2.917 50 40 DFGB CCCNC(=O)[C@]12CC[C@](C)(C(=O)[C@@H]1Br)C2(C)C 4185858 RVWKRSCPIFYAME-FZZIBODNSA-N 316.239 2.672 50 40 DFGB O=C(Cn1ccc(C(F)(F)F)n1)N/N=C/C=C/c1ccccc1 3515439 UHGXCXYOAIDJON-DJWBSWRTSA-N 322.290 2.717 50 40 DFGB N#CSc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 102633134 OZGIPJLNNMFLFM-NUZBWSBOSA-N 314.366 2.721 50 40 DFGB O=C1CC2(CCCC2)CC(=O)N1CCCCBr 34397383 QQCVFKSWYYHXMA-UHFFFAOYSA-N 302.212 2.871 50 40 DFGB in-vitro O=S(=O)(N[C@H](c1ccccc1)C(Cl)Cl)C(F)(F)F 269654 KAECIWUNRQRUQK-SSDOTTSWSA-N 322.135 2.971 50 40 DFGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2)[C@@H]2CSCC=C12 23410397 RXTFAAXINIBMQQ-HZPDHXFCSA-N 318.405 2.843 50 40 DFGB O=C(/C=C/c1ccc2ccccc2n1)NNC(=O)c1cccs1 6347044 GJQKWQRDSFGZSA-MDZDMXLPSA-N 323.377 2.771 50 40 DFGB C/C(=N\NC(=O)CN1CCCc2ccccc21)c1ccc(C)o1 96708616 LPQGULYLZCXATF-XMHGGMMESA-N 311.385 2.881 50 40 DFGB O=C(NNC(=O)c1ccc(F)cc1)NC1CCCCCCC1 32779677 ZDAVVBMVTZTGBJ-UHFFFAOYSA-N 307.369 2.883 50 40 DFGB CCOC(=O)NNC(=O)c1cc2ccc(Cl)cc2nc1C 24647018 DLDYDOXNCDMIJG-UHFFFAOYSA-N 307.737 2.588 50 40 DFGB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N/N=C\c1ccc(O)c(O)c1)C2 32559933 CSDRVEKUFJFQPS-CAFKOEIJSA-N 314.385 2.930 50 40 DFGB CCN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@H]1NC(=O)CCl 79390986 DLVAVQGHIRABDD-VXGBXAGGSA-N 318.845 2.910 50 40 DFGB N#CC1=C(N)NC(S)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 12375413 PKCDBUMEXVAERY-LLVKDONJSA-N 322.315 2.751 50 40 DFGB CCc1ccc2c(c1)/C(=N\NC(=O)c1ccc(C)cc1)C(=O)N2 8446293 BODYQJNJNARPKZ-UHFFFAOYSA-N 307.353 2.644 50 40 DFGB CC(=O)/C(=N/N[C@@H]1C(Cl)=CC=C[C@H]1Cl)N1CCCCC1 96191870 JQWMUVYHEKJNMI-BRXWRBBBSA-N 316.232 2.633 50 40 DFGB O=C(N/N=C\c1ccc(O)cc1)c1ccccc1NC(=O)C1CC1 104166521 CIUKPANDMRDRQI-ODLFYWEKSA-N 323.352 2.505 50 40 DFGB COc1cccc2cc(C(=O)N/N=C/c3ccccc3O)oc12 408970430 HRVITTFAQCVEMD-VCHYOVAHSA-N 310.309 2.911 50 40 DFGB COCCCNC(=O)/C(C#N)=C\c1cccc(Br)c1 6008098 OGLQLFYAIOEBFB-WQLSENKSSA-N 323.190 2.509 50 40 DFGB CC(=O)/C=C(\C)NCCSSCCN/C=C(\C)C(C)=O 4149507 CIVMSIZWMBEFEC-BFWCKKHCSA-N 316.492 2.533 50 40 DFGB CC(C)c1ccc2c(c1)/C(=N\NC(=O)c1ccccc1O)C(=O)N2 6171613 PAPRYJXBHUITFL-UHFFFAOYSA-N 323.352 2.602 50 40 DFGB O=C(O)CC/C(=N\NC(=O)c1ccccc1)c1cccs1 4964538 ZZCCXJZSOJIKQW-FOWTUZBSSA-N 302.355 2.747 50 40 DFGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccccc2)c1C 7765155 LNLSZUCUBFWXTK-CQSZACIVSA-N 312.369 2.532 50 40 DFGB O=C(N/N=C/c1ccccc1Cl)c1cc([N+](=O)[O-])ccc1O 18039880 LPSJKVLOSPLGKI-LZYBPNLTSA-N 319.704 2.718 50 40 DFGB COC(=O)c1cc(Cl)c([N+](=O)[O-])cc1CBr 95835989 YZZYBIJGZZQMPH-UHFFFAOYSA-N 308.515 2.930 50 40 DFGB C/C(=N/NC(=O)Cc1cccs1)c1ccc([N+](=O)[O-])cc1 73231 FRYSKWVISHUORX-GDNBJRDFSA-N 303.343 2.739 50 40 DFGB O=C(NNc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 2766208 DGGHMQCRILGVNI-UHFFFAOYSA-N 314.326 2.961 50 40 DFGB C1CN2CCC1[C@]1(C2)SS[C@]2(CN3CCC2CC3)S1 1601499 LANMSDDOLUOXBT-KBPBESRZSA-N 314.545 2.958 50 40 DFGB N#C/C(=C\c1c[nH]c2ncccc12)C(=O)Nc1ccc(O)cc1 61718880 SMIHNZRSXBXFST-DHZHZOJOSA-N 304.309 2.814 50 40 DFGB C#CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c1 408935987 JJRKAEBVDNEVCM-PTNGSMBKSA-N 318.332 2.950 50 40 DFGB CCn1cc(/C=C(\C#N)C(=O)Nc2ccccc2OC)c(C)n1 17032110 WSZIBPAIFXRBJA-UKTHLTGXSA-N 310.357 2.766 50 40 DFGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)c1ccccc1 18266030 BSFIQHMFJYPBHE-XDHOZWIPSA-N 320.352 2.650 50 40 DFGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC)ccc32)cc1 85408996 WLPWVCJUUAAWQU-QGZVFWFLSA-N 308.337 2.922 50 40 DFGB CCn1c2ccccc2c2cc(/C=C/C(=O)NNC(C)=O)ccc21 32743687 KNISPNDTSCEBJC-PKNBQFBNSA-N 321.380 2.995 50 40 DFGB NNC(=O)c1cccc(COc2ccc(Br)cc2)c1 4294132 IMRIYDAFYNLOEZ-UHFFFAOYSA-N 321.174 2.632 50 40 DFGB COc1ccccc1/C=N\NC(=O)COc1cccc(C)c1C 13942113 SIQBMJJNRXSZDF-ODLFYWEKSA-N 312.369 2.841 50 40 DFGB Cc1ccc(C(=O)N/N=C\C=C\c2cccc([N+](=O)[O-])c2)cn1 19799176 ZDBHPTFDYHOFOL-MEUPZCFSSA-N 310.313 2.727 50 40 DFGB NNC(=O)CCc1ccc(OCc2ccc(F)cc2Cl)cc1 226345265 FRVKAUFGFLWUQY-UHFFFAOYSA-N 322.767 2.981 50 40 DFGB C/C(=N\NC(=O)Cc1cn2ccsc2n1)c1cccs1 4863594 GVCUANQHFDPVBW-OQLLNIDSSA-N 304.400 2.540 50 40 DFGB CN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](NC(=O)CCl)CC1 100177900 RDUNZMJLCJTCCM-PHIMTYICSA-N 304.818 2.520 50 40 DFGB C/C(=N\NC(=O)c1cc(Cl)ccc1O)c1ccc(O)cc1 370572 VFIWUMGLYYXBQQ-RQZCQDPDSA-N 304.733 2.905 50 40 DFGB CC(C)(C)OC(=O)NNS(=O)(=O)c1ccc2ccccc2c1 6761763 QVTOGFXNRHKAFL-UHFFFAOYSA-N 322.386 2.558 50 40 DFGB CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccco2)cc1 58892918 DOOLZPZLNRACJM-YAJBTMAUSA-N 316.357 2.642 50 40 DFGB Cc1c(C(=O)NNC(=O)c2ccccc2O)oc2ccccc12 12868134 CFKBFQBWEBAYFD-UHFFFAOYSA-N 310.309 2.522 50 40 DFGB CN(C(=O)CCl)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 79392488 RKNBZFQJIMKSEG-MNOVXSKESA-N 304.818 2.520 50 40 DFGB O=C(NNC(=O)[C@@H]1CCCc2ccccc21)c1ccc(F)cc1 24753938 DUVJKLOJQVDODI-MRXNPFEDSA-N 312.344 2.707 50 40 DFGB N#C/C(=C\c1c[nH]nc1-c1ccccc1Br)C(=O)O 5827768 XGVODAZGSNXXPY-VMPITWQZSA-N 318.130 2.831 50 40 DFGB CCN(C[C@H]1CCCCN1C(=O)CCl)C(=O)OC(C)(C)C 79390977 JSVVNWCBQCNWMW-GFCCVEGCSA-N 318.845 2.863 50 40 DFGB O=C(CCl)N[C@H]([C@H]1CCCCC1=O)C(Cl)(Cl)Cl 278440 CKHMIEINFVLYOP-IMTBSYHQSA-N 321.031 2.840 50 40 DFGB O=C(NNC(=S)Nc1ccc(F)cc1)C1[C@H]2CCCC[C@@H]12 13635591 XRGUJHZJKWLVAC-FUNVUKJBSA-N 307.394 2.580 50 40 DFGB Cc1cc(C)c(NC(=O)NNC(=O)c2cccc(O)c2)c(C)c1 95460805 NEIHTLBLTIYBLT-UHFFFAOYSA-N 313.357 2.784 50 40 DFGB N#CCOc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1 409122933 CNRYNHRHFNOKSG-XSFVSMFZSA-N 307.353 2.672 50 40 DFGB COC[C@H](C)NC(=O)/C(C#N)=C\c1cc2cc(F)ccc2o1 98013722 BQBUJVOPMWVDKI-BZPKPHBRSA-N 302.305 2.630 50 40 DFGB CCOc1ccc(/C=N\NC(=O)c2ccncc2)cc1Cl 32189209 PTOHPURQBKPTIN-ZDLGFXPLSA-N 303.749 2.898 50 40 DFGB C=CCNC(=O)/C(C#N)=C/c1cc(Cl)c(O)c(OCC)c1 3570505 LFFPLBFUZTWLHX-IZZDOVSWSA-N 306.749 2.653 50 40 DFGB CC(C)=NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 4402122 IMFWOBYRIBHKBA-KRWDZBQOSA-N 323.396 2.540 50 40 DFGB COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c1 76469 ZMPJRJAZTBPIDQ-QGZVFWFLSA-N 324.336 2.628 50 40 DFGB N#CC1=C(N)N(c2ccccc2)[C@@H](c2ccccc2)C1(C#N)C#N 521211 VPVNUZANVWHEPW-KRWDZBQOSA-N 311.348 2.975 50 40 DFGB COc1ccc(Cl)cc1C/C=N/NC(=O)c1ccncc1 5640247 AGBLESULQKYYBV-GIJQJNRQSA-N 303.749 2.702 50 40 DFGB C[C@H]1C[C@H](C)OC([C@H](Br)CBr)O1 5662646 WFQKYCNLFRLJNC-LYFYHCNISA-N 302.006 2.685 50 40 DFGB COC(=O)[C@H]1C(O)=NC(SC)=C(C#N)[C@@H]1c1ccccc1 8994836 ZIARVQKRSMDQFD-NWDGAFQWSA-N 302.355 2.628 50 40 DFGB CCCCC[C@@H]([C@H](O)C#N)C(O)(C(F)(F)F)C(F)(F)F 73371848 XPNRJHDSUWETBF-JGVFFNPUSA-N 307.234 2.923 50 40 DFGB CCCNC(=O)/C(C#N)=C\c1ccc(Oc2cnccn2)cc1 98056132 VYEGAGGFJAFILA-UVTDQMKNSA-N 308.341 2.702 50 40 DFGB NNC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 226257716 VJHBUOHNZHBZPY-ZZXKWVIFSA-N 307.693 2.511 50 40 DFGB COc1ccc2c(c1)N([C@H](C(=O)NN)C(C)C)C(C)(C)C[C@@H]2C 260622016 QIVXJKMOJRFGKV-LRDDRELGSA-N 319.449 2.802 50 40 DFGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccncc1 7993704 UMUHXBVYFCLQQM-RQZCQDPDSA-N 305.790 2.977 50 40 DFGB Cc1ccc(SCC(=O)NNC(=O)Nc2ccccc2)cc1 12875962 CFQXCSALAKICKV-UHFFFAOYSA-N 315.398 2.940 50 40 DFGB COc1ccc(OCCCC(=O)NNc2ccccc2)cc1 8037781 RISNPAGVGJNLIG-UHFFFAOYSA-N 300.358 2.998 50 40 DFGB CC(C)N(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)CCl 79392541 VJFNJTPITWGWGI-LBPRGKRZSA-N 318.845 2.862 50 40 DFGB CCCCCCO[S@](=O)O[C@H](C)[C@H](Cl)C(=O)OCC 5249275 LAYWVHZTHSKSHC-RMDKCXRXSA-N 314.831 2.738 50 40 DFGB O=C(CC(=O)Nc1cccc(Cl)c1)N/N=C\c1ccccc1 32923265 CEUGNDBZLWGECS-WQRHYEAKSA-N 315.760 2.819 50 40 DFGB CCOC(=O)Nc1cccc(N/C=C(\C#N)C(=O)OCC)c1C 102134014 LIMTWVFFQFLUDP-ZRDIBKRKSA-N 317.345 2.946 50 40 DFGB Cc1ccsc1/C=N/NC(=O)c1ccc2c(c1)OCCO2 507670 TXKZEVWJSFXKFZ-CXUHLZMHSA-N 302.355 2.592 50 40 DFGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 7516641 CPLIQGQRONMRSE-HNNXBMFYSA-N 309.281 2.519 50 40 DFGB CN(C)c1nc(N)nc(/C(C#N)=C\c2ccc3ccccc3c2)n1 58305063 CGHMZHMNYDOQTE-GDNBJRDFSA-N 316.368 2.737 50 40 DFGB CCOC(=O)/C(C#N)=C1\CCC[C@H]1C(SC)=C(C#N)C#N 59662369 YMFQPMHOQFLOGK-RVROTUBLSA-N 301.371 2.834 50 40 DFGB N#C/C(=C/c1ccccc1[N+](=O)[O-])C(=O)NCc1ccccc1 4508569 FZYYSRRYVZNCSI-GDNBJRDFSA-N 307.309 2.818 50 40 DFGB O=C(N/N=C\c1c(F)cccc1Cl)C(=O)Nc1ccccc1 408755130 YUEVVUQKBGCRIF-NVMNQCDNSA-N 319.723 2.568 50 40 DFGB Cc1cc(/C=N\NC(=O)c2ccco2)c(C)n1-c1ccccn1 409248050 JSTCXJJWIZIUPL-ODLFYWEKSA-N 308.341 2.846 50 40 DFGB O=C(CN1CCCCC1)N/N=C/c1cccc(C(F)(F)F)c1 5428051 OUIRHANIUMQRBZ-VXLYETTFSA-N 313.323 2.641 50 40 DFGB COc1ccccc1OCC(=O)C(C#N)=C1Nc2ccccc2N1 5687051 TUXURDNYMOXJPL-UHFFFAOYSA-N 321.336 2.916 50 40 DFGB COc1ccc2c3c1O[C@@H]1[C@H](Cl)C=C[C@@H]4[C@H](C2)N(C)CC[C@@]341 100393525 CVLHOXTTXWEUCL-HXHAXSGFSA-N 317.816 2.748 50 40 DFGB biogenic,in-vitro Cc1ccc(NCC(=O)NNC(=O)Nc2ccccc2)c(C)c1 28047293 LYEGFDQORMAYCA-UHFFFAOYSA-N 312.373 2.568 50 40 DFGB CC[C@@H](Br)C(=O)OC[C@@H]1CCCN2CCCC[C@H]12 4028188 IPAPBHNJJZLKKE-YNEHKIRRSA-N 318.255 2.968 50 40 DFGB biogenic C#CCn1cc(/C=N/NC(=O)Cc2ccccc2)c2ccccc21 409359288 BFLIAIKHEZTAKX-KGENOOAVSA-N 315.376 2.967 50 40 DFGB C[C@H](NC(=O)/C(C#N)=C1\N=C(N)c2ccccc21)c1ccccc1 73641597 AEPKPLCZXJRTBO-ICDILTBESA-N 316.364 2.518 50 40 DFGB O=C(/C=C/c1ccccc1)NNC(=O)c1ccc(Cl)cc1 568878 VAWODOLMIKQVOZ-IZZDOVSWSA-N 300.745 2.814 50 40 DFGB CO[C@H]1[C@H](Br)[C@@](C)(OC)c2ccccc2N1C#N 1569075 GLYBQGPDICIFIK-AVGNSLFASA-N 311.179 2.585 50 40 DFGB CCOC(=O)[C@@H](SC#N)[C@H](C(=O)OCC)c1ccc(C)cc1 5555609 SSQKXXQWAQPLEH-KGLIPLIRSA-N 321.398 2.788 50 40 DFGB C[C@@H](Cn1cnc2ccccc21)C(=O)N/N=C/c1ccccc1O 552589 SHWIBPADXSYRFM-NPNVKNKFSA-N 322.368 2.528 50 40 DFGB O=C(N/N=C/c1cccnc1)c1ccc(Br)s1 8525176 URYIQHKYVPYKSD-VGOFMYFVSA-N 310.176 2.670 50 40 DFGB COc1ccccc1OCC(=O)N/N=C/c1sccc1C 3266784 MSGKVUNTKUVSDL-CXUHLZMHSA-N 304.371 2.594 50 40 DFGB CCOC(=O)/C(C#N)=C/C=C(/C(=C=N)C#N)c1ccc(OC)cc1 409415809 STQDXINAFVXASA-FYULHIFVSA-N 321.336 2.790 50 40 DFGB COc1ccc(OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1 5578593 WRDLZNVFUQIIRH-UHFFFAOYSA-N 321.336 2.916 50 40 DFGB C/C(=N\NC(=O)[C@@H]1[C@H]2CCCC[C@]21C)c1ccc(O)cc1O 106066851 UWZUWLWVQGMCKJ-GDEIXCJASA-N 302.374 2.764 50 40 DFGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 408722863 NXVCHXPKOOYMPZ-MYDMITEBSA-N 317.345 2.577 50 40 DFGB CN(C)c1ccc(/C=N\NC(=O)[C@@H]2OCCc3ccccc32)cc1 32655535 CSDPVTSZGNBUAZ-RXWSAZGZSA-N 323.396 2.517 50 40 DFGB O=C(Cl)[C@H]1CC(=O)N(c2ccccc2N2CCCCC2)C1 45958576 NXNKMLAPCWGMOI-LBPRGKRZSA-N 306.793 2.795 50 40 DFGB CCOc1cc(/C=N/NC(=O)CCc2ccccc2)ccc1O 505852 DZNIHRKKPTWMQI-CPNJWEJPSA-N 312.369 2.874 50 40 DFGB CN(CCC#N)c1ccc(/C=N/NC(=O)c2ccccc2)cc1 5393767 WEWRNOQNIYSNSF-XSFVSMFZSA-N 306.369 2.800 50 40 DFGB COc1cccc(C(=O)N/N=C/c2ccc(Br)o2)c1 6259016 GLDHWKJSDIDIDY-OVCLIPMQSA-N 323.146 2.815 50 40 DFGB CC(C)CC(=O)NNC(=O)c1ccc(C#Cc2ccccc2)cc1 8708789 DWRAUADCTUDJPH-UHFFFAOYSA-N 320.392 2.894 50 40 DFGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccccc2O)c1C 12843964 NGFBDTBTDUGJMT-VXLYETTFSA-N 312.369 2.847 50 40 DFGB O=c1c2ccccc2n2c(CCl)nnc2n1-c1ccccc1 15424611 QKGROBODSJEPPT-UHFFFAOYSA-N 310.744 2.772 50 40 DFGB O=C(NCc1ccccc1)C(=O)NN=C1CCCCCCC1 59515679 IVFKIUKRLGTXQZ-UHFFFAOYSA-N 301.390 2.519 50 40 DFGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1C(=O)O 83318445 ILUMMXIKZIXCQV-LCYFTJDESA-N 322.320 2.939 50 40 DFGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(O)c(Br)c1 408805460 KGJOQRWBXOKDCV-CAXXOGMASA-N 323.190 2.976 50 40 DFGB Cn1cc(/C=N/NC(=O)CNC2CCCCC2)c2ccccc21 409378109 LXMBWWLAAJFNRK-RGVLZGJSSA-N 312.417 2.551 50 40 DFGB O=C1[C@@H]2C[C@H](Cl)CN2C(=O)N1c1cccc(C(F)(F)F)c1 3125704 GKCZUFDGCLUNRE-WPRPVWTQSA-N 318.682 2.854 50 40 DFGB COc1ccc([C@H]2C(C#N)=C(N)Nc3nc4ccccc4n32)cc1 13122638 GKQXKVDOJPDFAD-INIZCTEOSA-N 317.352 2.754 50 40 DFGB aggregator O=C(N/N=C/c1cccc2c1OCCO2)c1cccc(Cl)c1 408844717 UQWMTZTUNGPRCF-VCHYOVAHSA-N 316.744 2.875 50 40 DFGB Cc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1[N+](=O)[O-] 408951912 JGLJCVBAALSTNM-LDADJPATSA-N 311.341 2.986 50 40 DFGB C[C@@H](NC(=O)/C(C#N)=C1\N=C(N)c2ccccc21)c1ccccc1 73641599 AEPKPLCZXJRTBO-WGKGOADCSA-N 316.364 2.518 50 40 DFGB N#CC1=C(N)N(c2ccccc2)[C@H](c2ccco2)C1(C#N)C#N 519986 GUPFTQZXYCJXSL-OAHLLOKOSA-N 301.309 2.568 50 40 DFGB COc1ccc(C(=O)N(CCCl)CCCl)cc1OC 1690228 LDDNOPILWYTZHF-UHFFFAOYSA-N 306.189 2.624 50 40 DFGB CS(=O)(=O)[C@H](Cl)[C@@H](O)c1ccc(Cl)cc1Cl 96518886 ZZPIOMPHJZBFLA-IUCAKERBSA-N 303.594 2.636 50 40 DFGB CN(C)c1ccc(-n2cccc2/C=N/NC(=O)c2ccco2)cc1 559089 HSEJRCBPHAOJKS-CPNJWEJPSA-N 322.368 2.900 50 40 DFGB CCOc1ccc2c(c1)C[C@@H](CI)O2 218743185 PAZGDZRQIZPOEU-JTQLQIEISA-N 304.127 2.824 50 40 DFGB CCOc1ccccc1/C=N/NC(=O)CNc1ccc(F)cc1 487142 MSWDXCWAVALTKP-RGVLZGJSSA-N 315.348 2.787 50 40 DFGB CCN1C(=O)/C(=N/NC(=O)Nc2ccccc2)c2ccccc21 6953723 LQRVVKKTVZVGJP-XDJHFCHBSA-N 308.341 2.579 50 40 DFGB C/C(Cc1ccccc1)=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1 17032263 DMAOZBOHOARUFL-QGOAFFKASA-N 311.341 2.872 50 40 DFGB Cc1c(/C=N/NC(=O)c2cccc(O)c2)c2ccccc2n1C 59679200 GIYCBVMVQUWZBR-YBFXNURJSA-N 307.353 2.956 50 40 DFGB O=C(NN(Cc1ccccc1)c1ccccc1)c1cccc[n+]1[O-] 44882540 ZXNBNNIFKRKZHI-UHFFFAOYSA-N 319.364 2.672 50 40 DFGB CN(C)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 59333540 MLRDMDUVRXGKJV-PKNBQFBNSA-N 311.297 2.850 50 40 DFGB O=C(NN/C=N\OCc1ccc(Cl)cc1)c1ccccc1 4682691 BHWWIMAPSBXIMJ-UHFFFAOYSA-N 303.749 2.735 50 40 DFGB C/C(=N\NC(=O)NC[C@@H]1CCCO1)c1cc(C)c(C)cc1C 98055376 DDTSYKPFCPNWJK-FHHIAAGZSA-N 303.406 2.814 50 40 DFGB Cc1ccc(-n2cccc2/C=N/NC(=O)CC#N)cc1Cl 409012239 KALHVCRZPCEBMP-VCHYOVAHSA-N 300.749 2.803 50 40 DFGB N#CCn1cc(/C=N\NC(=O)c2cccc(O)c2)c2ccccc21 409375627 NESITDHZTCRSLJ-JAIQZWGSSA-N 318.336 2.634 50 40 DFGB CCn1c(C)cc(/C=N\NC(=O)Cc2cccc(OC)c2)c1C 409107998 UDMPUHBFNGNWMS-UNOMPAQXSA-N 313.401 2.826 50 40 DFGB CN(C)/C=C(/C=O)c1ccc(OCCCCCC(=O)O)cc1 96346785 OHITXVUPFDVNTC-QINSGFPZSA-N 305.374 2.812 50 40 DFGB Cc1cc(C(=O)NNC(=O)c2cccs2)c2ccccc2n1 6508653 ZDSNWYHJZGATIR-UHFFFAOYSA-N 311.366 2.680 50 40 DFGB CCOc1ccc(CC(=O)N/N=C\c2ccc(C#N)cc2)cc1 408711653 DBBHDXXESCSKIL-MOSHPQCFSA-N 307.353 2.650 50 40 DFGB N#C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1 5946980 GBMZRAHROINDEX-GDNBJRDFSA-N 307.309 2.818 50 40 DFGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1cccnc1 93739 BLRIDBBUDYUETG-VDCVXVNISA-N 303.749 2.653 50 40 DFGB COc1ccc(C(=O)N[C@@H](Cl)C(=O)c2ccccc2)cc1 53944044 AUCYKNCTQYVRJD-OAHLLOKOSA-N 303.745 2.873 50 40 DFGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1O)c1ccc(Cl)cc1 36174613 JRIOXXVOUNNLHL-LZYBPNLTSA-N 319.704 2.718 50 40 DFGB O=C(CC(=O)NC1CCCCC1)N/N=C/c1ccccc1Cl 335730 YCDJZFTWHDSLKP-WOJGMQOQSA-N 321.808 2.629 50 40 DFGB C/C(=N\NC(=O)c1cccc(Cl)c1)c1ccc([N+](=O)[O-])o1 4526282 NOHMBBFDDJIMJA-OVCLIPMQSA-N 307.693 2.995 50 40 DFGB O=C(CNc1cccc2ccccc12)N/N=C/c1ccncc1 261715 QFPCGEWHULTGES-CIAFOILYSA-N 304.353 2.797 50 40 DFGB Cc1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)s1 2757086 BLLSFYODWVWLPM-OQLLNIDSSA-N 303.343 2.658 50 40 DFGB CSc1ncccc1C(=O)NNC(=O)c1ccccc1Cl 41779304 FXARIDQQZMHRPJ-UHFFFAOYSA-N 321.789 2.532 50 40 DFGB CCc1cccc2c(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c[nH]c12 6959355 LEKFFZKHHNKIGA-IDJPSDCMSA-N 323.396 2.932 50 40 DFGB COc1cc2c(cc1/C=N/NC(=O)Nc1ccccc1)OCO2 409064940 JJCDGBYXIOMKBR-RQZCQDPDSA-N 313.313 2.580 50 40 DFGB CN(C)c1ccc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)cc1 409205476 NPAJCVFVNGAILY-NNIWKIFQSA-N 306.369 2.510 50 40 DFGB C[C@@H](NC(=O)c1ccccc1)C(=O)N/N=C/C=C/c1ccccc1 3131141 FSJOQDNFMZRIBD-MIFBVJEISA-N 321.380 2.620 50 40 DFGB CC/C(C)=N\NC(=O)CNC(=O)c1ccc(Cl)cc1Cl 4579316 WSQZTYYGEKZULK-IUXPMGMMSA-N 316.188 2.625 50 40 DFGB COCc1ccc(C(=O)NNC(=O)c2ccc(C)cc2C)cc1 8142909 OPEXWALDLIELHJ-UHFFFAOYSA-N 312.369 2.525 50 40 DFGB O=C(N/N=C/c1ccccc1Cl)C(=O)Nc1ccccc1F 3008835 XAHRKZONDBMKSL-GIJQJNRQSA-N 319.723 2.568 50 40 DFGB CCOCCCNC(=O)/C(C#N)=C\c1ccc(SC)cc1 6233704 CQJVQNGSUBCVTN-KAMYIIQDSA-N 304.415 2.858 50 40 DFGB COc1ccc(O)c(/C=N/NC(=O)Cc2ccc(C)c(C)c2)c1 408568411 TZHRNBVBTSIKPW-YBFXNURJSA-N 312.369 2.710 50 40 DFGB CCN1C(=O)c2ccc(-c3ccc(C=C(C#N)C#N)o3)cc2C1=O 5867733 SKJPDNLPKYWCSB-UHFFFAOYSA-N 317.304 2.993 50 40 DFGB CCOc1ccccc1C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 482648 WYKGHUXQCIPDHI-GZTJUZNOSA-N 313.313 2.757 50 40 DFGB O=C(Cc1ccccc1)N/N=C/C=C/c1ccc([N+](=O)[O-])cc1 3148603 CPTRDKCGBRYHKJ-ZTKKEOLVSA-N 309.325 2.953 50 40 DFGB O=C(CCl)N[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 100177875 BJGRYQQRNFKART-OKILXGFUSA-N 324.808 2.579 50 40 DFGB COc1ccc(CNC(=O)/C(C#N)=C\c2cccc(O)c2)cc1 7068649 XWHCJKHRXCXZHD-DHDCSXOGSA-N 308.337 2.624 50 40 DFGB Cc1n[nH]c(C)c1NC(=O)c1cccc(NC(=O)[C@H](C)Cl)c1 14404644 HPUCFHRXHXLLHY-QMMMGPOBSA-N 320.780 2.845 50 40 DFGB O=C(N/N=C/c1ccc(Oc2ccccc2)cc1)C1=COCCO1 3180232 GJEUJBBZGZLVDI-XDHOZWIPSA-N 324.336 2.817 50 40 DFGB O=C(N/N=C/c1cccc(Cl)c1)C(=O)Nc1ccccc1F 59434077 ORPUHNYBNQIKLP-GIJQJNRQSA-N 319.723 2.568 50 40 DFGB O=C(NN=C1CCCCCCC1)C(=O)Nc1ccccc1F 59434109 WLJAGDUEWVBEKW-UHFFFAOYSA-N 305.353 2.981 50 40 DFGB Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(C)c2C)cc1C 408781405 CIMOLESIMIYPOA-KEBDBYFISA-N 312.417 2.821 50 40 DFGB COc1ccc(/C=N\NC(=O)c2ccc(F)cc2)c(OC)c1 33296497 JQTZTNISJORPEE-ZDLGFXPLSA-N 302.305 2.607 50 40 DFGB CCOC(=O)[C@@H]1C=C(C#N)O[C@H](c2ccc(NC(C)=O)cc2)C1 4267483 XTTWCFITUWNQAE-CJNGLKHVSA-N 314.341 2.693 50 40 DFGB biogenic CC(C)(C)OC(=O)N(C1CC1)[C@@H]1CCCN(C(=O)CCl)C1 79408935 CSQZISBHTXYBDO-GFCCVEGCSA-N 316.829 2.616 50 40 DFGB O=C(N/N=C\c1ccco1)c1cc(Br)ccc1O 5896612 CFXZIALXQYYFQZ-AUWJEWJLSA-N 309.119 2.512 50 40 DFGB Cc1c(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(C#N)n1C 3245094 BUKYGUMBZBYTBT-NTUHNPAUSA-N 308.316 2.890 50 40 DFGB C[C@@H](Cl)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 12504859 MVBVRELPTVNQGW-ZCFIWIBFSA-N 306.671 2.618 50 40 DFGB O=C(N/N=C\c1ccc(O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 35465850 GITNAWKUABCSDF-PXNMLYILSA-N 319.704 2.718 50 40 DFGB CCCc1ccc(OCc2ccc(C(=O)NN)cc2)c(OC)c1 4551449 IMVIGFJBXGOCGH-UHFFFAOYSA-N 314.385 2.830 50 40 DFGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2O)cc1 408900850 YBQMHZUCWJMIRG-GXDHUFHOSA-N 322.320 2.724 50 40 DFGB CSc1ccc(/C=N\NC(=O)c2n[nH]c3c2CCCC3)cc1 31841374 MOFFHWJWHZBVJS-YVLHZVERSA-N 314.414 2.774 50 40 DFGB COc1ccc2c(c1)N([C@@H](C(=O)NN)C(C)C)C(C)(C)C[C@@H]2C 223214666 QIVXJKMOJRFGKV-BLLLJJGKSA-N 319.449 2.802 50 40 DFGB CCCCC(=O)NNC(=O)COc1ccc2ccccc2c1 4713809 PZHQHZKXBWFPLV-UHFFFAOYSA-N 300.358 2.556 50 40 DFGB O=S1(=O)C[C@@]23C=C[C@@H](Br)C[C@]2(CCCC3)C1 101037939 SEEZTZCGPVJVIE-IJLUTSLNSA-N 305.237 2.685 50 40 DFGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(OC)c(OC)c(OC)c1 408800499 NAVCGDIOKKQAIU-ZTFCMROMSA-N 318.373 2.534 50 40 DFGB CCc1ccc(CC(=O)N/N=C\c2cc(OC)ccc2O)cc1 409360712 FOSALSDVLRAVJZ-UNOMPAQXSA-N 312.369 2.656 50 40 DFGB CC(=O)[C@@H]1C/C(=N\NC(N)=O)[C@H](C)[C@H](Cc2ccccc2)C1 36056571 BHPBRBNOQRVGTP-DLNWAKNHSA-N 301.390 2.505 50 40 DFGB CC(/C=C/c1ccc2c(c1)OCO2)=N/NC(=O)c1cccnc1 4902237 JDMJAOVJVRIMCI-QOQWSJPFSA-N 309.325 2.629 50 40 DFGB N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1 12563445 UYHCVYAEFVEMQP-RIYZIHGNSA-N 323.308 2.524 50 40 DFGB O=C(N/N=C1\CCCc2ccccc21)[C@@H]1COc2ccccc2O1 5164204 IXORGLFHOVZXMD-XTFSCAMASA-N 322.364 2.683 50 40 DFGB Cc1occc1C(=O)N/N=C(\CCC(=O)O)c1ccccc1 4652306 XXPYSXBYHNOSDW-SAPNQHFASA-N 300.314 2.587 50 40 DFGB N#CCC(=O)N/N=C/c1cc2cc(Cl)ccc2nc1Cl 408728766 TWUIIPFNFWOEFH-REZTVBANSA-N 307.140 2.905 50 40 DFGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccncc1 408885523 BITMKOYEBSGBSL-XYOKQWHBSA-N 324.296 2.544 50 40 DFGB N#C[C@H](C(=O)N/N=C/c1c[nH]c2ccccc12)c1ccccc1 409196851 RNTZMTKZXPTHJU-GKXUUXLPSA-N 302.337 2.925 50 40 DFGB Cc1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)s1 12567832 NCJKFRSOHDLWFT-UHFFFAOYSA-N 313.382 2.542 50 40 DFGB CCOc1ccccc1/C=N\NC(=O)Cn1cnc2ccccc21 31841314 VJFWVRHMSVPYGP-JAIQZWGSSA-N 322.368 2.585 50 40 DFGB COc1ccc(SCC(=O)N/N=C\c2ccccc2O)cc1 55135370 FABUYVPWBFRYMZ-YVLHZVERSA-N 316.382 2.643 50 40 DFGB Cc1ccc(NC(=O)CBr)cc1NC(=O)C1CC1 35605533 DOSHNDOCAFJQRO-UHFFFAOYSA-N 311.179 2.677 50 40 DFGB C/C(=N\NC(=O)[C@H](O)c1ccccc1)c1ccc(Cl)s1 5381601 WDSNZUMTSLDKRM-BPKVKKHESA-N 308.790 2.975 50 40 DFGB Cc1ccc(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1C 409178068 GENUMWDPNJKOGA-WOJGMQOQSA-N 311.341 2.904 50 40 DFGB COc1ccc(/C=N\NC(=O)c2c(C)nc3cc(C)ccn23)cc1 33381377 QARLHKFOXHBYCN-ODLFYWEKSA-N 322.368 2.724 50 40 DFGB COC(=O)N[C@H](CI)c1ccccc1 1712315 RPGPHTCXKBGYRX-SECBINFHSA-N 305.115 2.519 50 40 DFGB O=C(NNC(=O)C1CCC1)c1cc2c(s1)CCCCCC2 8316161 LLSFZMGTDIDMPZ-UHFFFAOYSA-N 306.431 2.968 50 40 DFGB N#CC(/C=C1\Nc2ccccc2C1=O)=C(/N)NCc1ccccc1 13551028 QDPIYOWKPUENIF-BQVKTAIQSA-N 316.364 2.662 50 40 DFGB C/C(=N\NC(=O)c1cc([N+](=O)[O-])ccc1O)c1cccs1 409059669 WNEVULPLJYOXKJ-RIYZIHGNSA-N 305.315 2.516 50 40 DFGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2O)[C@H]2CCCC=C12 35185225 HRCPXAXVIQIBQS-SUMWQHHRSA-N 316.364 2.986 50 40 DFGB C[C@H](Oc1ccc(Cl)cc1)C(=O)NNCc1ccccc1O 4279563 WFVUCDCBPLUQBY-NSHDSACASA-N 320.776 2.634 50 40 DFGB Cc1cc(C)nc(NNC(=O)C23CC4CC(CC(C4)C2)C3)n1 11333850 AOUMTUAVVJETSM-UHFFFAOYSA-N 300.406 2.753 50 40 DFGB CC(/C=C/c1ccco1)=N\NC(=O)[C@@H]1COc2ccccc2O1 13635630 IUJWBXOCIVRDJU-INSGNUNDSA-N 312.325 2.625 50 40 DFGB C/C(CCc1ccc2c(c1)OCO2)=N\NC(=O)c1ccccn1 6052318 YWUJWXBCAALLKB-XDHOZWIPSA-N 311.341 2.549 50 40 DFGB O=C(NNC(=S)Nc1ccc(Cl)cc1)c1ccccc1O 7572346 JTWQTGVBHHTPJZ-UHFFFAOYSA-N 321.789 2.677 50 40 DFGB N#Cc1ccc(C(=O)CBr)c(Br)c1 199769295 OVGHUTQJDYROHY-UHFFFAOYSA-N 302.953 2.898 50 40 DFGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc2c(c1)OCO2 2743916 QRPGVORKPUPNOJ-MDWZMJQESA-N 322.320 2.970 50 40 DFGB N#C/C(=C\c1ccc(C(=O)O)cc1)c1nnc2n1CCCCC2 5506181 JNODLLRVJZKRNN-GXDHUFHOSA-N 308.341 2.767 50 40 DFGB CCOC(=O)[C@@H]1C(C)=C(c2ccc(Cl)cc2)OC(N)=C1C#N 126042 QALKIADAPCSBIJ-CYBMUJFWSA-N 318.760 2.974 50 40 DFGB N#CC(C#N)=Cc1ccc(OS(=O)(=O)c2ccccc2)cc1 58822426 MBMVEWNWZDBEET-UHFFFAOYSA-N 310.334 2.885 50 40 DFGB O=C(/C=C/c1ccccc1)NNC(=O)[C@@H]1C[C@@H]1c1ccccc1 5369210 RKPPRFRVLMQMAL-CSLLIFPHSA-N 306.365 2.651 50 40 DFGB C[C@H](/C=N/NC(=O)Cn1ccc(C(F)(F)F)n1)c1ccccc1 4921828 RIMVCHSPQLOMLG-YXZFXQPTSA-N 324.306 2.808 50 40 DFGB COc1ccc(/C=C/C(=O)NN)cc1OCc1ccccc1C 216900453 ULMWBVZLBUNROP-CSKARUKUSA-N 312.369 2.586 50 40 DFGB Cn1cc(CCC(=O)NNc2ccccc2C(F)(F)F)cn1 54842999 FWNFTLNANJLIOT-UHFFFAOYSA-N 312.295 2.515 50 40 DFGB C[C@H]1Cc2cc(/C=C(\C#N)C(=O)NCc3ccco3)ccc2O1 13816306 URYHBPYSHWQXKW-DGGAMASNSA-N 308.337 2.826 50 40 DFGB CNC(=O)/C(C#N)=C/c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 1879690 WGTSTOGXBUMLFF-DHZHZOJOSA-N 311.297 2.816 50 40 DFGB C#CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1 65999220 BEUHDRQMTVUSEJ-AQTBWJFISA-N 316.360 2.922 50 40 DFGB COc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)c(OC)c1 28355940 MYRRLLGDLMEJGT-MDWZMJQESA-N 312.325 2.520 50 40 DFGB CC(C)N(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)CCl 79393736 WLAFBDRNZMSHNA-INIZCTEOSA-N 308.853 2.984 50 40 DFGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(C#N)cc2)cc1 193794263 QSODICXFOVJQSD-YVLHZVERSA-N 317.348 2.790 50 40 DFGB Cc1ccc(/C=N/NC(=O)/C(=C/c2ccccc2)CCO)cc1 2279183 HHRLABKDAZTGPY-UHOXYHJQSA-N 308.381 2.911 50 40 DFGB CSC(=O)N/N=C(C)/C(=N/NC(=O)SC)c1ccccc1 5381599 LKTZIUONBDRTKG-PVMFERMNSA-N 324.431 2.912 50 40 DFGB COc1ccc(-n2cccc2/C=N/NC(=O)c2ccccn2)cc1 408951781 KBXPIMIFORGBLI-DEDYPNTBSA-N 320.352 2.645 50 40 DFGB O=C(CN1Cc2ccccc2C1)N/N=C/c1ccccc1Cl 409204692 JLEJSSKIDFUHST-DJKKODMXSA-N 313.788 2.806 50 40 DFGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1cccc(O)c1 5568919 KKMXMLOTIRJLJK-GIJQJNRQSA-N 303.749 2.608 50 40 DFGB COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)c1 78547621 HLTIWUUAMXMQRC-KRWDZBQOSA-N 322.320 2.642 50 40 DFGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1c(C)cc(C)cc1C 43620 FRDLFLWTZXSXMV-MRXNPFEDSA-N 312.369 2.867 50 40 DFGB Cc1ccc(C)c(C2=C(C#N)C(N)=C(C#N)C3=CCN(C)C[C@@H]32)c1 4634813 RTCWLUVDXRNGIS-SFHVURJKSA-N 316.408 2.819 50 40 DFGB C[C@H](Cl)C(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)F 103711445 ZWDAILRHRFSPSH-VKHMYHEASA-N 321.595 2.901 50 40 DFGB ClCC(CCl)OC[C@H]1CO[C@@H]([C@H]2C[C@@H]3C=C[C@@H]2C3)O1 100934430 ZHMYUXWEIVWJPA-SJVBDLOYSA-N 307.217 2.803 50 40 DFGB C=CCc1cc(/C=N\NC(=O)Cc2ccccc2)cc(OC)c1O 409202011 NPTGCPRONZMNCB-MOSHPQCFSA-N 324.380 2.822 50 40 DFGB CCc1sc(C(=O)NNC(=O)c2cccc(OC)c2)cc1C 8294147 BSRBSFABRNPIJI-UHFFFAOYSA-N 318.398 2.702 50 40 DFGB CCOc1c(/C=C(\C#N)C(=O)N2CCCC2)cccc1OC 409372869 PDMZAXRJGNLHLD-SDNWHVSQSA-N 300.358 2.623 50 40 DFGB O=C(N/N=C/c1ccc(Br)s1)c1ccccn1 54102 GLYFDHRNAYDSSU-VGOFMYFVSA-N 310.176 2.670 50 40 DFGB COc1cccc2cc(C(=O)NNc3ccccc3)c(=O)oc12 16228304 RLOLLDDLRRCQRV-UHFFFAOYSA-N 310.309 2.559 50 40 DFGB Cc1ccc(N2C[C@H](NC(=O)C(C)(C)CCl)CC2=O)cc1C 5194180 DESMCYRLRNNKJB-CYBMUJFWSA-N 322.836 2.790 50 40 DFGB O=C(CSc1ccccn1)N/N=C/c1ccc(Cl)cc1 195916 VXRHBEYESDDEAN-RQZCQDPDSA-N 305.790 2.977 50 40 DFGB O=C(NNC(=S)Nc1ccc(F)c(Cl)c1)c1ccncc1 4601972 MEUVPQYJABQUNX-UHFFFAOYSA-N 324.768 2.506 50 40 DFGB C/C(=N\NC(=O)COc1ccc(Cl)cc1C)c1ccncc1 5724953 RYOJIAHJOKOSSF-XDHOZWIPSA-N 317.776 2.963 50 40 DFGB CCOc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1 408967645 RJNBQURSEFWPRZ-RGVLZGJSSA-N 311.316 2.860 50 40 DFGB N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1 36153447 SATDNWVQUANNRD-XYOKQWHBSA-N 309.281 2.846 50 40 DFGB Cc1cc(Br)ccc1-n1c(C)cc(C(=O)NN)c1C 223704509 AHHZMISPIQLFBK-UHFFFAOYSA-N 322.206 2.769 50 40 DFGB ClC[C@H](Cl)COC[C@@H]1CO[C@H]([C@H]2C[C@H]3C=C[C@H]2C3)O1 254765090 VUNCFBMWHARXEN-GAURVVSWSA-N 307.217 2.803 50 40 DFGB Cc1ccc(O)c(/C=N/NC(=O)COc2cccc(Cl)c2)c1 3168981 DXKKVRIIJMJCCT-GIJQJNRQSA-N 318.760 2.883 50 40 DFGB C#CCOc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1OCC 211618661 SWYSXPOJUAIYHD-GDNBJRDFSA-N 312.369 2.529 50 40 DFGB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)NNC(=O)c1ccccc1F)C2 4806106 DQFDOGWOUFBTGD-KZULUSFZSA-N 316.376 2.969 50 40 DFGB Cc1cccc(NC(=O)C(=O)N/N=C/C2CCCCC2)c1C 55121108 PKCNIPDYOVIOOR-WOJGMQOQSA-N 301.390 2.924 50 40 DFGB Cc1oc(/C=N/NC(=O)c2ccncc2)cc1Br 408837764 NCIXMGVYKXMEHQ-VIZOYTHASA-N 308.135 2.509 50 40 DFGB NNC(=O)c1cc(Cl)c2[nH]c(-c3ccccc3F)nc2c1 216921107 LMWRXVFITKNMTI-UHFFFAOYSA-N 304.712 2.626 50 40 DFGB COc1cccc(/C=N/NC(=O)c2cc3ccccc3o2)c1O 5721075 BENRKGROQAQSGX-VCHYOVAHSA-N 310.309 2.911 50 40 DFGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1O 112582 KLRJADMXDPARIY-RQZCQDPDSA-N 304.733 2.818 50 40 DFGB CCCN1C(=O)/C(=N/NC(=O)c2cccc(C)c2)c2ccccc21 6879396 STRYYAXRZHNJSB-LVZFUZTISA-N 321.380 2.886 50 40 DFGB CCOc1ccc(CC(=O)N/N=C/c2ccc(CC)o2)cc1 10475907 ZSFWMVDQIKKQRI-LDADJPATSA-N 300.358 2.934 50 40 DFGB Cc1ccc(OCCOc2ccccc2/C=C(/C#N)C(N)=O)cc1 4551661 SDTALWBYODSLRS-VBKFSLOCSA-N 322.364 2.845 50 40 DFGB Cc1ccsc1/C=N/NC(=O)c1cncc(Br)c1 4672153 QIPMHMNXYWPLOW-VIZOYTHASA-N 324.203 2.978 50 40 DFGB O=C(N/N=C(\c1ccccc1)c1cccnc1)c1cccnc1 5680360 DKTLONOQGOTQAA-HEHNFIMWSA-N 302.337 2.659 50 40 DFGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccn2)c(OC)c1 67190136 QCWJJKLMAHPQJC-UKTHLTGXSA-N 309.325 2.644 50 40 DFGB COc1cc(Cl)c(/C=N/NC(=O)c2ccco2)cc1OC 408587672 GQWCWSVDJIVKNC-LZYBPNLTSA-N 308.721 2.714 50 40 DFGB O=C(NN=C1CCOCC1)c1ccc(COc2ccccc2)o1 71817221 HLQCVSNUMRPCPS-UHFFFAOYSA-N 314.341 2.755 50 40 DFGB C/C(CC(=O)Nc1ccc(C)cc1)=N\NC(=O)c1ccccn1 5414843 YJWUCUNQXCGNDI-DEDYPNTBSA-N 310.357 2.525 50 40 DFGB COC(=O)c1ccc(NC(=O)O/N=C(\Cl)CCl)cc1 100228907 CXTVADJKWLVZLP-DHDCSXOGSA-N 305.117 2.813 50 40 DFGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc(Cl)c1 3094660 GYFJGVTWBVPTKS-LICLKQGHSA-N 317.732 2.941 50 40 DFGB CC(C)=NNC(=O)c1cnn2c1nnc1c3ccccc3ccc12 1413613 COAFSNWXNLSIGQ-UHFFFAOYSA-N 318.340 2.556 50 40 DFGB Cc1ccccc1C(=O)NNC(=O)c1cc2c(cc1O)CCCC2 58245462 RGIOLIRBMDCAPL-UHFFFAOYSA-N 324.380 2.654 50 40 DFGB Cc1cc(N(CCCl)CCCl)ccc1/C=N\CCO 104078333 BVIQXGQYMNIAIY-BOPFTXTBSA-N 303.233 2.690 50 40 DFGB C=CCNC(=O)/C(C#N)=C/c1cc(Cl)c(OCC)c(OC)c1 3570507 XWLUDWGRJMGRPQ-KPKJPENVSA-N 320.776 2.956 50 40 DFGB Cc1cc(C)c(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)cc1C 8734311 BYTDQLCEYHAVOR-RIYZIHGNSA-N 308.389 2.509 50 40 DFGB CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c1 8845698 IZWHONWNXOYIAV-HNNXBMFYSA-N 310.357 2.725 50 40 DFGB COc1ccc(NCC(=O)N/N=C(\C)c2cccs2)cc1 4868479 YTIIRDVKAPQIFM-GZTJUZNOSA-N 303.387 2.709 50 40 DFGB O=C1OC(=O)[C@H]2[C@@H]1C1c3ccccc3C2(Cl)c2ccccc21 101959026 ZNVBZVTWIYFOBA-QRHJNKNDSA-N 310.736 2.944 50 40 DFGB Cc1occc1C(=O)NNC(=O)N[C@H](c1ccccc1)C(C)C 32795474 VBSFUXLOWPVHGG-HNNXBMFYSA-N 315.373 2.929 50 40 DFGB N#CSc1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 102633131 OZGIPJLNNMFLFM-ZNIXKSQXSA-N 314.366 2.721 50 40 DFGB CCc1n[nH]c2c1[C@@H](c1ccc(OC(C)C)cc1)C(C#N)=C(N)O2 477828 YJBMHDFITVFGSG-HNNXBMFYSA-N 324.384 2.977 50 40 DFGB CCNC(=O)C/C(C)=N/NC(=O)c1ccc(Cl)cc1Cl 4713753 GJOTZGCHAOSKDA-CAOOACKPSA-N 316.188 2.625 50 40 DFGB CC(C)Oc1ccc(/C=C(\C#N)C(N)=O)cc1Br 408866892 JWXWCYCOWVYRTE-BJMVGYQFSA-N 309.163 2.629 50 40 DFGB NC(=O)N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 409241178 RVZWDTIHFQRVQD-JMIUGGIZSA-N 310.332 2.831 50 40 DFGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cccc(Cl)c1 4526144 UGDIYBFKBYZVDR-GIJQJNRQSA-N 316.744 2.762 50 40 DFGB C/C(=N\NC(=O)[C@@H]1[C@@H]2CCCC[C@@]21C)c1ccc(O)cc1O 9762304 UWZUWLWVQGMCKJ-NVFQBTRGSA-N 302.374 2.764 50 40 DFGB COc1cccc(OCC(=O)Oc2ccc([N+](=O)[O-])cc2)c1 4070099 JBISTWCJLDGNEE-UHFFFAOYSA-N 303.270 2.588 50 40 DFGB C[C@H]1[C@H](C)N(C(=O)CCl)c2ccccc2N1C(=O)CCl 1724062 FVCSHCORWAOAEB-UWVGGRQHSA-N 315.200 2.621 50 40 DFGB C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)N/N=C\c1ccc(O)cc1O)C2 100261313 JDYRNBZSLPHWPF-ZOBRYJGNSA-N 314.385 2.930 50 40 DFGB O=C(N/N=C/c1ccccc1F)C(=O)Nc1ccccc1Cl 59386445 AULCUWZEVZYZHO-GIJQJNRQSA-N 319.723 2.568 50 40 DFGB Cc1ccc(C(=O)N/N=C\c2cc(Br)cs2)cn1 4551339 NSHSKAGFDXTATD-UUASQNMZSA-N 324.203 2.978 50 40 DFGB C[C@H]1CCc2sc(C(=O)NNC(=O)C[C@H]3C=CCC3)cc2C1 8023135 OQRDLGYUNOLYRK-RYUDHWBXSA-N 318.442 2.990 50 40 DFGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(O)c2)cc1 408938442 QQTHFYUCTOSCOT-ZROIWOOFSA-N 322.320 2.724 50 40 DFGB Cc1cccc2cc(/C=C(\C#N)C(N)=O)c(N3CCCCC3)nc12 35147595 SOLAMTZTGCIGLW-LFIBNONCSA-N 320.396 2.926 50 40 DFGB CC(C)N(C[C@H]1CCCN1C(=O)CCl)C(=O)OC(C)(C)C 79390997 DNPHVECWUUTWBA-GFCCVEGCSA-N 318.845 2.862 50 40 DFGB N#C/C(=C\c1cccs1)C(=O)NCc1ccc2c(c1)OCO2 34076 VRPKERQZKWHQIA-KPKJPENVSA-N 312.350 2.700 50 40 DFGB COc1ccc(CC(=O)N/N=C/c2cn(C)c3ccccc23)cc1 573188 JMEVHAUIHBHCNY-UDWIEESQSA-N 321.380 2.880 50 40 DFGB COc1ccc(O)c(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@]23C)c1 100251772 GVUMEHUKXXFMQQ-VLYGHPRLSA-N 302.374 2.677 50 40 DFGB CCN(CC)c1ccc(/C=N\NC(=O)Cc2cccn2C)cc1 32565541 FZASGNUXIACXCE-RGEXLXHISA-N 312.417 2.564 50 40 DFGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cccc(O)c32)c(OC)c1 42512 SKJFSGSUJLWYRQ-MRXNPFEDSA-N 324.336 2.628 50 40 DFGB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)NNC(=O)c1ccccc1F)C2 4806112 DQFDOGWOUFBTGD-SGTLLEGYSA-N 316.376 2.969 50 40 DFGB COC(=O)c1cc(CN(CCCl)CCCl)ccc1OC 4994442 QEOJFNCBXZJLAL-UHFFFAOYSA-N 320.216 2.761 50 40 DFGB COC(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1 3283536 VGCZCHAKZJWSSO-WOJGMQOQSA-N 314.341 2.964 50 40 DFGB CCCC(O)(CCC)C(=O)NN(C(=O)OC)c1ccccc1 1921327 VAVYOFUVAPNMFV-UHFFFAOYSA-N 308.378 2.622 50 40 DFGB CC(=O)C1=C(C)NC([C-](C#N)C#N)=C(C#N)[C@H]1c1ccccc1 61852261 ZGTZFNSFDGRMNM-QGZVFWFLSA-N 301.329 2.636 50 40 DFGB O=C(N/N=C/c1ccc2nccnc2c1)[C@H]1C[C@@H]1c1ccccc1 5573735 ZNEYBYXEHUVVBT-GTVPNBLNSA-N 316.364 2.884 50 40 DFGB CC[C@@H](C(=O)NN)N1c2c(OC)cccc2[C@@H](C)CC1(C)C 223203549 IRNZGOFTQSQVTB-AAEUAGOBSA-N 305.422 2.556 50 40 DFGB CCOc1ccc(C(=O)NN)cc1COc1cccc(Cl)c1 224484812 HULPNZPPGCLONS-UHFFFAOYSA-N 320.776 2.921 50 40 DFGB O=C(N/N=C/c1ccc(N2CCCCC2)cc1)c1ccccn1 5572577 JPUJZDCOKVUJIW-XSFVSMFZSA-N 308.385 2.836 50 40 DFGB Nc1cccc([C@@H](Br)[C@@H](Br)C(=O)O)c1 97950076 YWKGMSUIJCYVNW-HTQZYQBOSA-N 322.984 2.553 50 40 DFGB O=C(CN1Cc2ccccc2C1)N/N=C/c1ccc(Cl)cc1 409206014 LNBLSSNSERRJIG-DJKKODMXSA-N 313.788 2.806 50 40 DFGB COc1cc(Br)ccc1C(=O)N/N=C/c1ccco1 126269 PMFIZTHUJQYDKO-OVCLIPMQSA-N 323.146 2.815 50 40 DFGB CCOC(=O)/C(C#N)=C\c1cc([N+](=O)[O-])ccc1-n1cccc1 5042695 HOBKGHPAOGQGAO-LCYFTJDESA-N 311.297 2.856 50 40 DFGB CCN(CC)c1ccc(/C=N/NC(=O)COc2ccccc2)o1 408994040 FIKWTJMKVNISHN-LDADJPATSA-N 315.373 2.655 50 40 DFGB O=C(NNc1ccccc1[N+](=O)[O-])c1cc2c(s1)CCC2 61470559 GTAKDWCAHPLABR-UHFFFAOYSA-N 303.343 2.902 50 40 DFGB O=C(NNC(=S)NCc1ccccc1)c1ccccc1Cl 15873242 UTHQWDGPWAWBSG-UHFFFAOYSA-N 319.817 2.649 50 40 DFGB C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccn1 2755317 LZBVBQUMVLFUHI-HPAYWCODSA-N 303.749 2.653 50 40 DFGB O=C(Cl)c1ccc(Cl)c(N2C[C@H](C(=O)Cl)CC2=O)c1 100680295 RUKQUOMTOIVZQA-SSDOTTSWSA-N 320.559 2.837 50 40 DFGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)c1 13345042 XLQSUADNEWFDPF-UKTHLTGXSA-N 322.320 2.939 50 40 DFGB COc1ccc(C(=O)N/N=C/c2c[nH]c3ccccc23)c(OC)c1 60512824 YTWUJOUHAZBMHA-RGVLZGJSSA-N 323.352 2.949 50 40 DFGB CCCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(N)=O)o2)cc1 252485801 HESHNKRHTUCKRI-UVTDQMKNSA-N 324.336 2.906 50 40 DFGB O=C(N/N=C/c1coc2ccccc2c1=O)Oc1ccccc1 255188803 LSUKDWLUBOJKEI-VCHYOVAHSA-N 308.293 2.916 50 40 DFGB CCOP(=O)(OCC)[C@@H](SC#N)C(=O)N(CC)CC 2372208 HXAWJMNRQIYTLU-NSHDSACASA-N 308.340 2.661 50 40 DFGB CC(C)CCn1c(=O)c2ccccc2n2c(CCl)nnc12 2661401 JLDUIAOAHGOFFT-UHFFFAOYSA-N 304.781 2.829 50 40 DFGB COC(=O)N/N=C/c1c(C)nn(-c2ccc(F)cc2)c1Cl 6588484 FJRYJYCGGJSSRD-FRKPEAEDSA-N 310.716 2.663 50 40 DFGB Cc1ccc(C)c(CC(=O)N/N=C\c2ccccc2[N+](=O)[O-])c1 409366700 XNWFDGLDIDRWHZ-WQRHYEAKSA-N 311.341 2.904 50 40 DFGB Cc1ccsc1C(=O)NNC(=O)COc1ccccc1Cl 13004678 WURAJZBNVXPNHC-UHFFFAOYSA-N 324.789 2.550 50 40 DFGB CCOc1ccc(/C=N/NC(=O)[C@H](OC)c2ccccc2)cc1 313687 QVOGOJDWKROLDF-HNMKQIAWSA-N 312.369 2.923 50 40 DFGB O=C(CNc1ccccc1)N/N=C/c1ccc(Br)o1 59419168 DEPIGGBLEVSWSR-LZYBPNLTSA-N 322.162 2.604 50 40 DFGB CSc1ccc(Cl)c(C(=O)NNC(=O)c2ccco2)c1 12971292 FPVRTFOPCNSNJT-UHFFFAOYSA-N 310.762 2.730 50 40 DFGB O=c1c2ccccc2n2c(CCl)nnc2n1Cc1ccccc1 28648704 CKVKSMRZGTUJEN-UHFFFAOYSA-N 324.771 2.831 50 40 DFGB O=C(CBr)c1ccc(C(=O)CBr)cc1 3073574 GIQRKLOVEHCPKT-UHFFFAOYSA-N 319.980 2.842 50 40 DFGB biogenic C=CCc1ccccc1OCC(=O)N/N=C/c1ccccc1O 3167189 SELJIVDZNJNLCF-XDHOZWIPSA-N 310.353 2.650 50 40 DFGB COC(=O)c1ccc(/C=N/NC(=O)c2c[nH]c3ccccc23)cc1 3474279 NUJONZNYJABBLP-KEBDBYFISA-N 321.336 2.718 50 40 DFGB O=C(NNC(=O)c1ccccc1-n1cccc1)c1ccccc1F 13141412 SYOBESZBHWHYKW-UHFFFAOYSA-N 323.327 2.691 50 40 DFGB CCc1ccc(CC(=O)N/N=C(\C)c2ccc(O)cc2O)cc1 409363031 JBTQMSGWGMHMIX-XDHOZWIPSA-N 312.369 2.743 50 40 DFGB CN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@H]1NC(=O)CCl 79408799 OTJWCHLUGYWWIY-MNOVXSKESA-N 304.818 2.520 50 40 DFGB C/C(=N\NC(=O)c1cc(C)n[nH]1)c1cccc(Br)c1 257652 XQUGATZJSYHZCM-CXUHLZMHSA-N 321.178 2.635 50 40 DFGB CCCNNC(=O)C(O)(c1cccc(C)c1)c1cccc(C)c1 3040050 OZLWXARWTNHBRK-UHFFFAOYSA-N 312.413 2.570 50 40 DFGB C[C@H](Cl)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 12504860 MVBVRELPTVNQGW-LURJTMIESA-N 306.671 2.618 50 40 DFGB O=C(Nc1ccc2c(c1)OCO2)[C@@H](Cl)C(=O)c1ccccc1 4207273 PNXFDLBGIKMQAN-AWEZNQCLSA-N 317.728 2.844 50 40 DFGB C=CCn1cc(/C=N/NC(=O)c2cccnc2)c2ccccc21 6022328 DOQOFWQBAYNJHB-UDWIEESQSA-N 304.353 2.986 50 40 DFGB O=C(N/N=C/c1ccccc1Cl)c1ccc2c(c1)OCO2 3474758 JIPKXCPNGJKNEC-CAOOACKPSA-N 302.717 2.833 50 40 DFGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1O)c1ccccc1Cl 8515269 CZCJSFCLGXLJQL-LZYBPNLTSA-N 319.704 2.718 50 40 DFGB Cc1ccc(C(=O)NNC(=O)c2ccc(OC(C)C)cc2)cc1 3300152 LPAYTVCLAJGQGE-UHFFFAOYSA-N 312.369 2.857 50 40 DFGB CC[C@H](C)n1nccc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 253398752 HKHRCBUNFOBBQI-BONVTDFDSA-N 312.373 2.669 50 40 DFGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(O)cc1 434384 SONKXNPLKOZJIV-XYOKQWHBSA-N 309.281 2.846 50 40 DFGB COc1ccc(/C=N/NC(=O)COc2ccc(C)cc2C)cc1 3023332 ZWTFHOGZTQJJMV-YBFXNURJSA-N 312.369 2.841 50 40 DFGB O=C(N/N=C/c1c[nH]c2ccc(Br)cc12)C1CC1 3396404 KNBLJJODYPYIBK-FRKPEAEDSA-N 306.163 2.791 50 40 DFGB COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1O 16410632 YCBRLOHBNRNVGR-UKTHLTGXSA-N 300.358 2.757 50 40 DFGB COC(=O)c1ccc([C@H]2NC(=O)NC(C(C)(C)C)=C2C#N)cc1 409373746 ZSCMEUVIZOJMSM-CYBMUJFWSA-N 313.357 2.651 50 40 DFGB CC(C)(C)OC(=O)N[C@@H](Br)C(=O)OC(C)(C)C 75629724 RBGAAZPKHKBDGM-SSDOTTSWSA-N 310.188 2.574 50 40 DFGB COC(=O)[C@@H](Cl)c1cccc2c1C(=O)c1ccccc1C2=O 5660405 IEIWYRUTSURTQZ-AWEZNQCLSA-N 314.724 2.915 50 40 DFGB CCCCCCCC(=O)N/N=C(\C)c1c(O)cc(C)oc1=O 8455194 YTRJZQHAFGUMFA-SFQUDFHCSA-N 308.378 2.855 50 40 DFGB C=CCc1cccc(/C=N/NC(=O)c2ccc(OC)cc2)c1O 252612 QRIPRCVHSBQJGY-XDHOZWIPSA-N 310.353 2.893 50 40 DFGB biogenic Cc1cc(C)nc(NNC(=O)c2ccccc2C(F)(F)F)n1 40486305 XTNBSSSZOTYEHD-UHFFFAOYSA-N 310.279 2.869 50 40 DFGB CCOC(=O)/C(C#N)=C(\C)c1cc(OC)c(OC)c(OC)c1 126677 FJIZQMBIQZPAKJ-ZRDIBKRKSA-N 305.330 2.573 50 40 DFGB CCOc1ccc(NCC(=O)N/N=C(\C)c2ccco2)cc1 358216 BCDVVMIVUVQJQI-LDADJPATSA-N 301.346 2.631 50 40 DFGB N#Cc1ccc(/C=N/NC(=O)c2ccc(Br)o2)cc1 358456 VWAHFRQDADTULR-LZYBPNLTSA-N 318.130 2.678 50 40 DFGB C/C(=N\NC(=O)c1ccccc1)c1ccc(N2CCOCC2)cc1 5516993 HJEJFNWWUNIBLV-HMMYKYKNSA-N 323.396 2.677 50 40 DFGB N#CC(C#N)=Cc1ccccc1OS(=O)(=O)c1ccccc1 58822428 OKHOCYQVMKOSHH-UHFFFAOYSA-N 310.334 2.885 50 40 DFGB C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(O)c(O)c1 62787718 UGMWCWVDEWGSFI-UALMWKMKSA-N 310.353 2.742 50 40 DFGB CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)COc1ccccn1)C2 102446724 QYINMYUSXNODHZ-YSIIYDHVSA-N 301.390 2.779 50 40 DFGB COc1cccc([C@H]2NC(=O)NC(C(C)(C)C)=C2C#N)c1OC 409367514 CSTCIARNUSBOBN-CYBMUJFWSA-N 315.373 2.881 50 40 DFGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(N)=O 1810776 HVKFKLRHYKELFD-VMPITWQZSA-N 317.688 2.900 50 40 DFGB CCOC(=O)c1sc2nc(CCCCl)[nH]c(=O)c2c1C 3886267 DZHGZWJIYVZLKB-UHFFFAOYSA-N 314.794 2.641 50 40 DFGB COc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1O 408856983 MKTBRZRGQRIOCM-ZDLGFXPLSA-N 310.309 2.911 50 40 DFGB COc1ccc(/C=N\NC(=O)/C=C\c2ccccc2)c(OC)c1 31723722 NGMVLAGBNCVHMY-UWFRNZCSSA-N 310.353 2.867 50 40 DFGB O=C1ON=C(CCl)/C1=C/c1cccc(Br)c1 44804582 OBFMKLDHECOPIV-UITAMQMPSA-N 300.539 2.984 50 40 DFGB COC(=O)c1ccc(/C=N/NC(=O)/C=C/c2ccc(C)cc2)cc1 1098685 RAGMOWJWJKAUQN-UKRUMFJESA-N 322.364 2.945 50 40 DFGB O=C(N/N=C1\CCc2ccccc21)N/N=C1\CCc2ccccc21 17250030 XJCBKFUZKIYYKV-PHEFWILJSA-N 318.380 2.987 50 40 DFGB NC(=O)C(=O)c1ccccc1C(=O)[C@@H](Cl)c1ccccc1 2450502 HACMEYBULVEVSD-ZDUSSCGKSA-N 301.729 2.517 50 40 DFGB O=C(N[C@@H](C(=O)O)c1ccc(CCl)cc1)c1ccccc1 1576163 ANAVHKHLAXIOKL-CQSZACIVSA-N 303.745 2.981 50 40 DFGB Cc1cc(-c2ccc(CCC(=O)NN)o2)ccc1Br 216924428 YZVISWIRDZFQNV-UHFFFAOYSA-N 323.190 2.940 50 40 DFGB CCc1nc2ccccc2n1CC(=O)NNc1ccc(F)cc1 61038458 VOCDCBWSMAVPQZ-UHFFFAOYSA-N 312.348 2.881 50 40 DFGB C/C(=N\NC(=O)C[n+]1ccccc1)c1ccc(Cl)cc1Cl 5829310 WARMQVPEFQMQFX-WOJGMQOQSA-O 323.203 2.821 50 40 DFGB CCN1C(=O)C(=C(C#N)C#N)c2cc(Br)ccc21 565379 JIGHJGNWXWJXGK-UHFFFAOYSA-N 302.131 2.616 50 40 DFGB CCC(=O)N/N=C(\C)CC(=O)Nc1cccc2c1CCCC2 4697841 LWVNQPGPIPDKKS-XDHOZWIPSA-N 301.390 2.796 50 40 DFGB Cc1nc2ccccn2c1C(=O)N/N=C1/CCc2ccccc21 89547672 QKGQKQGXBMYWMU-HKWRFOASSA-N 304.353 2.723 50 40 DFGB O=C(N/N=C/c1cc(O)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 32313576 LFDGGMAQKGMEPK-LZYBPNLTSA-N 319.704 2.718 50 40 DFGB CCOc1ccc(C(=O)NN)cc1COc1cc(C)cc(C)c1 224528446 SOSRYZYXXFZYNN-UHFFFAOYSA-N 314.385 2.885 50 40 DFGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(F)ccc1F 125496 UITJFFNOYOQVNC-AWEZNQCLSA-N 302.280 2.780 50 40 DFGB O=C(NCCCl)Nc1nnc(-c2ccc(Cl)cc2)o1 2663419 RQXAOUBPIYMEAA-UHFFFAOYSA-N 301.133 2.750 50 40 DFGB CCC(CC)=NNC(=O)C(=O)Nc1ccc(OC)c(Cl)c1 4525741 QSOBFUXKQIUSKH-UHFFFAOYSA-N 311.769 2.579 50 40 DFGB O=C(N/N=C\c1ccncc1)c1ccc(Br)s1 32578330 LKWPLRNUINZWET-AUWJEWJLSA-N 310.176 2.670 50 40 DFGB COc1ccccc1OCC(=O)N/N=C(\C)c1ccc(C)cc1 5682283 GBLFUBYSYRHQKE-XMHGGMMESA-N 312.369 2.923 50 40 DFGB COCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2)c1C 4994054 AKKDFKXKKJFPEO-SFQUDFHCSA-N 323.396 2.764 50 40 DFGB O=C(N/N=C/c1ccc(Cl)cc1)C(=O)Nc1ccccc1F 7782164 NWODPXYMHVJGRL-GIJQJNRQSA-N 319.723 2.568 50 40 DFGB C/C(=N/NC(=O)c1ccc2c(c1)OCO2)c1ccc(F)cc1F 57411720 BPJRAGRZIPGXMX-OCKHKDLRSA-N 318.279 2.848 50 40 DFGB C=CCOc1cccc(/C=N/NC(=O)Cc2ccc(OC)cc2)c1 408588117 HWSJJYFPTOYGOU-XSFVSMFZSA-N 324.380 2.953 50 40 DFGB COc1cc(I)cc(/C=C(\C)C=O)c1O 216764250 JBLZLFILOGJQQE-XVNBXDOJSA-N 318.110 2.608 50 40 DFGB Cc1ccc([Si](O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 195757009 FGVRVIQOADVJOL-UHFFFAOYSA-N 318.492 2.571 50 40 DFGB C/C(=N/NC(=O)c1ccncc1)c1ccccc1Br 5455371 HSEKKAZKJGXESZ-YVLHZVERSA-N 318.174 2.998 50 40 DFGB Cc1cc(C(=O)N/N=C/c2ccc(F)s2)c2c(C)noc2n1 252500859 TWRMQAAKRRYRAU-OMCISZLKSA-N 318.333 2.804 50 40 DFGB NNC(=O)/C=C/c1ccc(-c2cccc(Br)c2)o1 226306175 ZEVAWWIIUFAGJX-FNORWQNLSA-N 307.147 2.712 50 40 DFGB CCCNC(=O)C/C(C)=N/NC(=O)C12CC3CC(CC(C3)C1)C2 4474124 WKLDYWNPBXNLFK-UDWIEESQSA-N 319.449 2.611 50 40 DFGB C/C(=N\NC(=O)Cc1ccc(Cl)cc1)c1ccc(O)cc1O 100064536 DRMKHAAMXWSCMA-VCHYOVAHSA-N 318.760 2.834 50 40 DFGB C/C=C/C=C/C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1 6279474 NVBYCKJVJGVYGA-DSXPNFDZSA-N 309.325 2.504 50 40 DFGB N#Cc1cccc(C(=O)[C@H](Br)CBr)c1 307679011 LKZARFASNQIPNV-SECBINFHSA-N 316.980 2.899 50 40 DFGB C/C(I)=C\CI 83293007 MTIFMNTZMLZREE-DUXPYHPUSA-N 307.900 2.760 50 40 DFGB CCOc1ccc(/C(C)=N/NC(=O)[C@H](O)c2ccccc2)cc1 487386 AMMMMGRNARCHSW-HNMKQIAWSA-N 312.369 2.659 50 40 DFGB Cc1ccc(-c2nn(CCC(=O)O)cc2C=C(C#N)C#N)cc1 804863 YLUCZTJNQILATB-UHFFFAOYSA-N 306.325 2.764 50 40 DFGB CCOc1ccc(Cl)cc1/C=C(\C#N)c1n[nH]c(N)c1C#N 23410330 VIPOAEARZNLYGY-BJMVGYQFSA-N 313.748 2.980 50 40 DFGB C/C(=N\NC(=O)c1cc(-c2ccccc2)[nH]n1)c1ccncc1 6780478 BDPFOHMHKRXZEJ-XDHOZWIPSA-N 305.341 2.626 50 40 DFGB CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(Br)ccc1O 408796508 AKHLJOLZRQDGNZ-CAXXOGMASA-N 323.190 2.976 50 40 DFGB CC(C)[C@H](NC(=O)CCCC[C@@H]1CCSS1)C(=O)O 96221853 RTTUGKYFSHUCBM-PWSUYJOCSA-N 305.465 2.926 50 40 DFGB biogenic CCOC(=O)C(=O)/C(C#N)=C/Nc1ccc(C(F)(F)F)cc1 100926362 FQVWBIWOXUWOQO-CMDGGOBGSA-N 312.247 2.657 50 40 DFGB CCC(=O)NNC(=O)COc1cc(C)c(Cl)cc1C(C)C 3217551 HPDXSKIWPDWKCJ-UHFFFAOYSA-N 312.797 2.708 50 40 DFGB COCCCOc1ccc2nc(NC(=O)CCl)sc2c1 20131844 MRMYXSRXAHOGCF-UHFFFAOYSA-N 314.794 2.889 50 40 DFGB O=C(N/N=C/c1ccc(O)cc1O)C12CC3CC(CC(C3)C1)C2 3899350 KAVUSTHTTAZJBB-VXLYETTFSA-N 314.385 2.764 50 40 DFGB COc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)ccc1O 409359259 AVOMMTLZURQOBR-ODLFYWEKSA-N 312.369 2.710 50 40 DFGB O=C(N/N=C/c1ccccc1)c1cc[n+](Cc2ccccc2)cc1 255190384 WXSWYBALVMOUQW-UHFFFAOYSA-O 316.384 2.786 50 40 DFGB CCOC(=O)N/N=C1/CCCCCC/C1=N/NC(=O)OCC 16918483 LEIPCEPWACIEMX-NFLUSIDLSA-N 312.370 2.545 50 40 DFGB COc1ccc(/C=N\NC(=O)COc2cccc(C)c2C)cc1 30838741 OLGLZFXSVQNSIG-ODLFYWEKSA-N 312.369 2.841 50 40 DFGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccco1 552371 BRNNFIHFDBWVJC-OVCLIPMQSA-N 301.327 2.663 50 40 DFGB CC(C)(C)OC(=O)N1CCC(Cn2cc(CCl)nn2)CC1 575415102 BKHCQGNUDPSZBF-UHFFFAOYSA-N 314.817 2.664 50 40 DFGB COc1ccc(/C=C(\C#N)C(=O)NC2CCCC2)cc1OC 258411 FPNGJZYERFZUKI-UKTHLTGXSA-N 300.358 2.670 50 40 DFGB CCOc1cc(C(=O)NN)ccc1OCc1cccc(Cl)c1 226364364 LIFWEWZATVLJFE-UHFFFAOYSA-N 320.776 2.921 50 40 DFGB COc1cc(/C=N/NC(=O)c2cccs2)cc(Cl)c1O 562600 QCOVTGUJMPUNOE-VIZOYTHASA-N 310.762 2.880 50 40 DFGB O=C(c1ccccc1)[C@@H](Cl)[C@H](SCCCl)C(=O)O 5602048 XHIFMOUXWQCECY-KOLCDFICSA-N 307.198 2.902 50 40 DFGB N#CC1=C(N)Oc2ccc3ccc(=O)oc3c2[C@@H]1c1ccco1 5945256 XVFYWCSXHRZUHX-AWEZNQCLSA-N 306.277 2.604 50 40 DFGB C/C(=N\NC(=O)c1cc(C)oc1C)c1cccc([N+](=O)[O-])c1 72667 UISOXYSOSJDALY-MHWRWJLKSA-N 301.302 2.959 50 40 DFGB CC(C)(C)OC(=O)NC[C@H](Br)CBr 100852680 KOMMXOANUJIAMZ-ZCFIWIBFSA-N 317.021 2.670 50 40 DFGB O=C(NCc1ccccc1F)NNc1cccc([N+](=O)[O-])c1 31725072 VROIHEFDULJPKZ-UHFFFAOYSA-N 304.281 2.560 50 40 DFGB NNC(=O)c1cc(Cl)c2[nH]c(-c3ccc(F)cc3)nc2c1 216922706 ZHHIGJQVMVLXEG-UHFFFAOYSA-N 304.712 2.626 50 40 DFGB Cc1ccc2nc(N3CCCCC3)c(/C=C(\C#N)C(N)=O)cc2c1 35147599 DOUJOFXAQFYETI-LFIBNONCSA-N 320.396 2.926 50 40 DFGB CC(=O)n1c(CI)nc2ccccc21 13285038 YIYSPEBXPTULPP-UHFFFAOYSA-N 300.099 2.631 50 40 DFGB COc1ccc2c3c1O[C@@H]1[C@H](Cl)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314 201160979 CVLHOXTTXWEUCL-QDQNSEEQSA-N 317.816 2.748 50 40 DFGB biogenic,in-vitro CN1C(=O)[C@@]23SS[C@]1(C)C(=O)N2c1ccccc1C3(C)C 1566336 RMFWVAHDWWKNMY-CABCVRRESA-N 320.439 2.590 50 40 DFGB O=C(CCl)N[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 252584595 BJGRYQQRNFKART-HDJSIYSDSA-N 324.808 2.579 50 40 DFGB COc1ccccc1C(=O)N/N=C/c1ccc(Br)o1 4544131 BAQJYTGQOIHGST-OVCLIPMQSA-N 323.146 2.815 50 40 DFGB Cc1cc(C)nc(NNC(=O)c2cc(C)nc3ccccc23)n1 14512411 SFEDJIFLXGSCCV-UHFFFAOYSA-N 307.357 2.707 50 40 DFGB COc1ccc2c(c1)N(C(C)(C)C(=O)NN)C(C)(C)C[C@H]2C 260616146 FXVSGTDYESGTSL-LLVKDONJSA-N 305.422 2.556 50 40 DFGB COc1cccc2c1N([C@@H](C(=O)NN)C(C)C)C(C)(C)C[C@H]2C 260621819 PEHXGDXGBWKFFI-IUODEOHRSA-N 319.449 2.802 50 40 DFGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccco2)cc1[N+](=O)[O-] 6182330 YGKOSIAOIVGRDY-YRNVUSSQSA-N 313.269 2.742 50 40 DFGB Cn1c(-c2ccccc2)cc(/C=N/NC(=O)CC#N)c1Cl 3153555 JOFNKGJZNDCWTD-VCHYOVAHSA-N 300.749 2.709 50 40 DFGB Cc1ccc(C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2)cc1 3429043 HXVAGBALVGIRPB-AWEZNQCLSA-N 312.369 2.532 50 40 DFGB Cc1ccc(OCC(=O)N/N=C/c2ccc(F)cc2)c(C)c1 253135 HAZPWUPQLDMYGZ-VXLYETTFSA-N 300.333 2.972 50 40 DFGB O=C(OCCCCl)[C@H]1CC=CC[C@H]1C(=O)OCCCCl 4804902 CRCHGHQKJASMAS-TXEJJXNPSA-N 323.216 2.913 50 40 DFGB O=C1OC(=O)c2ccccc2/C1=C\Nc1ccc([N+](=O)[O-])cc1 101533656 MCRGOGBPSVLDAW-NTEUORMPSA-N 310.265 2.745 50 40 DFGB CC(=O)N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 409013881 OCPDMBBWFGXVJL-LICLKQGHSA-N 313.313 2.644 50 40 DFGB N#Cc1ccc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc1 409362298 IUWLIOMHWVOEOM-KEBDBYFISA-N 312.760 2.774 50 40 DFGB NNC(=O)/C=C/c1cccc(OCc2ccc(Cl)cc2)c1 216895369 MPFKHSAZVWMYOF-RMKNXTFCSA-N 302.761 2.922 50 40 DFGB O=C(Cl)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 45952472 IARRVPUXFLQLBI-ZETCQYMHSA-N 302.555 2.567 50 40 DFGB CCOc1ccc(/C=C(\C#N)C(=O)N2CCCC2)cc1OC 16437894 ZNXSKXKZXVUFFW-GXDHUFHOSA-N 300.358 2.623 50 40 DFGB COc1ccccc1/C=N\NC(=O)[C@H](C)Oc1ccccc1C 4544289 BMIVHGIWLMNDRN-YQNUULROSA-N 312.369 2.921 50 40 DFGB O=C(N/N=C/c1ccncc1)c1ccccc1Br 253875 SPFPHJDCEYBVOW-CXUHLZMHSA-N 304.147 2.608 50 40 DFGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1C[C@H]2C=C[C@H]1C2 102218044 JQJHAIVLIRQJJT-ZQKMAJMISA-N 314.429 2.562 50 40 DFGB O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1ccc(F)cc1 58887113 YPKNVRZMCIEPFP-PUMYGXPMSA-N 300.333 2.790 50 40 DFGB COc1cc(Cl)cc(/C=N/NC(=O)Cc2ccccc2)c1O 4702543 RVOKHKDYQQMCQR-VCHYOVAHSA-N 318.760 2.747 50 40 DFGB N#CC(C#N)=CNCCNc1ncc(C(F)(F)F)cc1Cl 20218884 GWAFXMNRAKBYFB-UHFFFAOYSA-N 315.686 2.686 50 40 DFGB CCOc1ccc(C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1 5718670 XHSKQKJWZDOJEG-WOJGMQOQSA-N 314.341 2.563 50 40 DFGB Cc1ccc(C)c(C(=O)C[C@H]2O[C@@H](O)[C@@H](Cl)[C@@H]2Cl)c1 5722605 KVGRFPSXOUEZGT-YIYPIFLZSA-N 303.185 2.808 50 40 DFGB COc1ccc(/C(C)=N/NC(=O)CNc2ccccc2C)cc1 50357 GXGGJBPXQWZSMJ-XSFVSMFZSA-N 311.385 2.956 50 40 DFGB C/C(=N/NC(=O)c1ccc2[nH]cnc2c1)c1ccc([N+](=O)[O-])cc1 13144274 KFTZUGRQOXHVFT-GRSHGNNSSA-N 323.312 2.625 50 40 DFGB Cc1ccc(C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)o1 573555 VZZVDZYKPOUHSX-VIZOYTHASA-N 307.693 2.914 50 40 DFGB O=C(N/N=C/c1ccc(N2CCCCC2)cc1)c1cccnc1 3335017 DVQCEJVAFCPROU-DEDYPNTBSA-N 308.385 2.836 50 40 DFGB Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)o1 4144063 VZMGUPJITNCKSJ-VIZOYTHASA-N 323.146 2.820 50 40 DFGB O=C(NNc1ccccn1)c1cn2cc(Cl)cc(Cl)c2n1 480124 SPPOKYBBPSEMOR-UHFFFAOYSA-N 322.155 2.793 50 40 DFGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccccc2C)n1 8570787 ZGHMCDKZKQVBIM-RQZCQDPDSA-N 314.414 2.644 50 40 DFGB CN(C)c1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)o1 59391680 AUBXXCQBGCTGPE-RQZCQDPDSA-N 321.764 2.528 50 40 DFGB Cc1nc2sccn2c1C(=O)N/N=C/c1ccc(F)cc1 408721762 LRNHSBQPYNUYPJ-LZYBPNLTSA-N 302.334 2.607 50 40 DFGB N#C/C(C(=O)/C=C\c1ccccc1)=C1\NC(=O)c2ccccc2N1 101151960 NGFJPZVEVVRFNV-SCADBAFBSA-N 315.332 2.860 50 40 DFGB Cc1occc1C(=O)NNC(=O)COc1ccc2ccccc2c1 378962 HVEMFEUPMIADNW-UHFFFAOYSA-N 324.336 2.581 50 40 DFGB CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](Br)CO2 10231838 OWIBUDVDBOTXOB-JTQLQIEISA-N 320.227 2.940 50 40 DFGB C/C(CC(=O)Nc1ccccn1)=N/NC(=O)c1cccc(C)c1 13151575 XXYZEPSZDPQQPQ-MOSHPQCFSA-N 310.357 2.525 50 40 DFGB COc1cccc(/C=C(\C#N)C(=O)NCc2ccccc2)c1O 408746227 CQSSQSDNUGAETF-XNTDXEJSSA-N 308.337 2.624 50 40 DFGB C#CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1 2502651 QVFJHFRZOSHOSI-GOSISDBHSA-N 318.332 2.622 50 40 DFGB Cc1cc(OCC(=O)NN=C(CCl)CCl)ccc1Cl 100244344 NLDXPBBZPFFSJU-UHFFFAOYSA-N 323.607 2.977 50 40 DFGB N#C/C(=C/c1ccc(C(=O)O)cc1)C(=O)Nc1ccc(O)cc1 107977672 OJTLYZYVNGZEGY-LCYFTJDESA-N 308.293 2.636 50 40 DFGB CCCc1[nH]nc2c1[C@H](c1ccccc1OC)C(C#N)=C(N)O2 4114866 KPJRRWCLHUKDJO-CQSZACIVSA-N 310.357 2.589 50 40 DFGB N#C/C(=C/c1cccc(O)c1)C(=O)Nc1ccccc1C(=O)O 57405809 FVXZQKGLNSRTRW-WQLSENKSSA-N 308.293 2.636 50 40 DFGB CC(=O)NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 23199324 BPEIPZSHZPJZJS-UHFFFAOYSA-N 314.185 2.505 50 40 DFGB COc1ccc(/C=C/C(=O)N/N=C/c2cccc(OC)c2)cc1 1098697 QUXPDPFODYKVEW-UQNIYPKTSA-N 310.353 2.867 50 40 DFGB O=C(N/N=C\c1ccc(O)c(O)c1)c1ccccc1-n1cccc1 30738215 KQCJDIOCLOAGOO-UNOMPAQXSA-N 321.336 2.652 50 40 DFGB O=C(NNc1nc(-c2ccccc2)no1)c1ccc2cc[nH]c2c1 76462712 GLHBYDBYTVLPID-UHFFFAOYSA-N 319.324 2.975 50 40 DFGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(O)cc1 6221135 CSXYXTCZNIWNIA-GIJQJNRQSA-N 303.749 2.608 50 40 DFGB C[C@@H](Oc1ccccc1)C(=O)N/N=C/c1ccccc1OCC#N 23410743 YWSVOKILVVHQOM-GNUZOCDUSA-N 323.352 2.507 50 40 DFGB Nc1ccccc1C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 59434531 KODUNUUSNPDBDR-CAOOACKPSA-N 318.720 2.594 50 40 DFGB C[C@@H](SCc1ccccc1)C(=O)NNC(=O)c1cccs1 44282537 HLZDBIPNXDEEPM-LLVKDONJSA-N 320.439 2.831 50 40 DFGB CCOc1ccccc1/C=N/NC(=O)c1ccc(OC)cc1O 409392825 SGKCZSQCUYDJMT-WOJGMQOQSA-N 314.341 2.563 50 40 DFGB CCCN1C(=O)/C(=N/NC(=O)Nc2ccccc2)c2ccccc21 6879390 XLIMGSBILMLJSN-CAPFRKAQSA-N 322.368 2.969 50 40 DFGB COc1cc(OC)cc(C(=O)Oc2ccc([N+](=O)[O-])cc2)c1 3284514 TZRZFHOFVPDVAN-UHFFFAOYSA-N 303.270 2.831 50 40 DFGB O=C(Cl)c1cc(I)cc([N+](=O)[O-])c1 95836251 WUOANTCXNGTEKH-UHFFFAOYSA-N 311.462 2.578 50 40 DFGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)ccc2O)cc1 548292 KIBYYOFBGOKKSI-UKTHLTGXSA-N 324.336 2.955 50 40 DFGB N#C/C(=C/c1ccc(C(F)(F)F)cc1)C(=O)NC[C@@H]1CCCO1 13471326 GCEHAGRESJNFQR-UNJUUPHPSA-N 324.302 2.908 50 40 DFGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)ccc1O 411783 FLIBYRYRIKKHCO-QGZVFWFLSA-N 323.352 2.591 50 40 DFGB O=c1ccc2ccc(O)c(CN(CCCl)CCCl)c2o1 1708337 FAZSKHKWZHYVIY-UHFFFAOYSA-N 316.184 2.778 50 40 DFGB CCOc1ccc(/C=N/NC(=O)c2ccco2)c(OCC)c1 409368241 QBZGVAFHGRRSAM-GZTJUZNOSA-N 302.330 2.841 50 40 DFGB Cc1ccc(-c2cc(C(=O)N/N=C\c3ccc(F)cc3)[nH]n2)o1 32679260 LOSCRGHZFGJZDU-NVMNQCDNSA-N 312.304 2.881 50 40 DFGB O=C(Nc1ccc([N+](=O)[O-])cc1)N(CCCl)CCCl 4742739 MPPPCUOMBLPUJK-UHFFFAOYSA-N 306.149 2.906 50 40 DFGB CC(C)Oc1ccc(C(=O)NNC(=O)C[C@H]2C=CCC2)cc1 12991389 HRRUDILZQBLCNY-ZDUSSCGKSA-N 302.374 2.591 50 40 DFGB COc1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc1OC 5730046 SJSMAYIKPRLJRB-PNCSPWPDSA-N 316.401 2.980 50 40 DFGB C/C=C/C=N/NC(=O)C[C@@H](NC(=O)OCC)c1ccccc1 409332405 FAVAEXGQUYFWIN-XEYMFRIYSA-N 303.362 2.542 50 40 DFGB CCNC(=O)C(=O)N/N=C/c1c2ccccc2cc2ccccc12 5456184 PQCPPQGHHDNWRX-CIAFOILYSA-N 319.364 2.579 50 40 DFGB CC(=O)N(c1ccccc1)c1nc(/C=C(/C#N)C(=O)O)cs1 44867222 JPDSZCGOVRFCBY-XFFZJAGNSA-N 313.338 2.819 50 40 DFGB O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1ccccc1 3573024 XFFIFRGQVCHGCQ-LZYBPNLTSA-N 319.704 2.718 50 40 DFGB Cc1cc(C)nc(NNC(=O)COc2ccc3ccccc3c2)n1 14512456 FQLIDXJBHULZJW-UHFFFAOYSA-N 322.368 2.769 50 40 DFGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc([N+](=O)[O-])cc1 7516640 CPLIQGQRONMRSE-OAHLLOKOSA-N 309.281 2.519 50 40 DFGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccccc1OCC#N 100258811 XSAPIRZWPQVADU-LBCFRAQKSA-N 311.385 2.865 50 40 DFGB C/C(=C/C(=O)c1ccc(Br)cc1)NNC(=O)C1CC1 101374275 XPQSEEUWJBLIDR-HJWRWDBZSA-N 323.190 2.566 50 40 DFGB CCCC1=C(C(=O)OCC)[C@@H](c2ccncc2)C(C#N)=C(N)O1 2493369 PSMSNTXENJIYNO-AWEZNQCLSA-N 313.357 2.507 50 40 DFGB C#CCOc1c(Br)cc(C=C(C#N)C#N)cc1OC 113855350 XWAMZEMRYUCTSB-UHFFFAOYSA-N 317.142 2.900 50 40 DFGB Cc1cc(NC(=O)CCl)nc2c1c(=O)oc1ccccc12 85397258 RKHNJUFZKKACTE-UHFFFAOYSA-N 302.717 2.827 50 40 DFGB NC(=O)c1c(NC(=O)CCl)sc2c1CCCCCC2 5494845 VLDDWBDUAZTHOL-UHFFFAOYSA-N 300.811 2.683 50 40 DFGB Cc1cc(C(=O)N/N=C/c2ccc(-c3ccc(F)cc3)o2)[nH]n1 8026377 XWKWIQFLIXJNCK-GIJQJNRQSA-N 312.304 2.881 50 40 DFGB O=C1C(=O)N(CCCBr)c2c(Cl)cccc21 40487572 SWNLMBXOSKNXHM-UHFFFAOYSA-N 302.555 2.654 50 40 DFGB CCN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@@H]1NC(=O)CCl 79390985 DLVAVQGHIRABDD-RYUDHWBXSA-N 318.845 2.910 50 40 DFGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OC)c1OC 408781635 DGMHTVRMIIEUSR-DHDCSXOGSA-N 314.385 2.864 50 40 DFGB Cc1cc(C)nc(NNC(=O)c2cc(-c3ccccc3)no2)n1 44917829 XTVRFRYOZVAXJS-UHFFFAOYSA-N 309.329 2.505 50 40 DFGB O=C(CCCc1c[nH]c2ccccc12)NNC(=O)c1ccccc1 3408656 DLNBMDZGNZXKQR-UHFFFAOYSA-N 321.380 2.952 50 40 DFGB Cc1ccc(S(=O)(=O)/N=C(\CCl)N2CCCCC2)cc1 4778624 OCSFUTAMZDLTEQ-JQIJEIRASA-N 314.838 2.807 50 40 DFGB C/C(=N\NC(=O)Cn1c(C)nc2ccccc21)c1cccs1 276083 WQVRZCNHDKGNAX-WOJGMQOQSA-N 312.398 2.947 50 40 DFGB O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@@H](Sc2ccccc2)[C@H]1Cl 102742002 GDDMWAGYCZBBJZ-WXCVZDNMSA-N 308.786 2.720 50 40 DFGB C[C@H](OC(=O)/C(C#N)=C/c1ccco1)C(=O)N(C)c1ccccc1 5215721 OTFOBRYLCNEKLD-UQRISPGASA-N 324.336 2.781 50 40 DFGB CCOC(=O)c1c(C)[nH]c(C(=O)N/N=C\c2ccccc2)c1C 100888925 QJWDLKSFKVADCR-ZDLGFXPLSA-N 313.357 2.572 50 40 DFGB CCNC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 26964584 BQGVPQPQPOIFAJ-XFXZXTDPSA-N 311.297 2.898 50 40 DFGB CSc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1 2196861 RDUYEMOXBWQWJR-UHFFFAOYSA-N 300.412 2.627 50 40 DFGB COc1cccc(/C=C(/C#N)C(=O)NC2CCCC2)c1OC 33728255 OSLWFCPVCSDISL-RAXLEYEMSA-N 300.358 2.670 50 40 DFGB CC1(C)COc2ccc(C(=O)N/N=C\c3ccco3)cc2OC1 225368628 UMLRSINIQODXAP-NVMNQCDNSA-N 314.341 2.841 50 40 DFGB C[C@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1cccnc1 137741 KWBQIUGHCJVLIX-HPAYWCODSA-N 303.749 2.653 50 40 DFGB CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2cccs2)cc1 59515523 XIGLXJCTCQRFRR-LICLKQGHSA-N 315.398 2.960 50 40 DFGB C/C(=N\NC(=O)c1n[nH]c2c1CCc1ccccc1-2)c1ccco1 4981216 VOZUROZUELFBCA-YBFXNURJSA-N 320.352 2.922 50 40 DFGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1 5006552 BSKDOEAKWVJNED-ARJYKRKESA-N 312.369 2.987 50 40 DFGB CC(C)CC(=O)NNC(=O)c1ccc(CSC(F)F)o1 30602912 QVDNOMMXKJBWDR-UHFFFAOYSA-N 306.334 2.543 50 40 DFGB O=C(Cc1ccccc1)N/N=C/c1ccc(N2CCCC2)cc1 564391 KSLFSTQAFTXIBH-HMMYKYKNSA-N 307.397 2.980 50 40 DFGB COCCNC(=O)/C(C#N)=C/c1ccc2[nH]c3ccccc3c2c1 408817663 UITOBXOOZOIVHZ-GXDHUFHOSA-N 319.364 2.991 50 40 DFGB CC(C)COc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1 408719321 BOZCVYHSKQIJKL-XDHOZWIPSA-N 317.433 2.657 50 40 DFGB CN(/N=C/c1ccccc1C(=O)O)C(=O)OCc1ccccc1 409189038 HNZHEKFEZZIQEB-WOJGMQOQSA-N 312.325 2.987 50 40 DFGB C/C(=N/NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccncc1 33292820 BDPFOHMHKRXZEJ-UNOMPAQXSA-N 305.341 2.626 50 40 DFGB COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)ccc1O 216041567 MOVZEIIKZAIONI-ODLFYWEKSA-N 312.369 2.710 50 40 DFGB O=C(N/N=C/c1ccccc1OC(F)(F)F)c1ccncc1 17643900 ZZACQMRGJLNUQJ-DJKKODMXSA-N 309.247 2.744 50 40 DFGB COc1cccc(/C=N/NC(=O)c2cc3c(OC)cccc3[nH]2)c1 2360691 KKVMGMZCNLEBIE-YBFXNURJSA-N 323.352 2.949 50 40 DFGB CN(/N=C/c1ccc(C(=O)O)cc1)C(=O)OCc1ccccc1 409190237 QJEVEVRGARTKCC-WOJGMQOQSA-N 312.325 2.987 50 40 DFGB COc1ccc(/C=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 5618273 UWTOVVCJYGTYLS-LICLKQGHSA-N 313.313 2.676 50 40 DFGB Cc1csc(C(=O)NNC(=O)C(Cl)=C(Cl)Cl)c1 2142774 CGOKYGMVJSVDAJ-UHFFFAOYSA-N 313.593 2.703 50 40 DFGB Nc1nc(N)c(-c2ccc(Cl)cc2)c(CBr)n1 13283465 XPLHYVSXKPCAQB-UHFFFAOYSA-N 313.586 2.856 50 40 DFGB CCN(C(=O)CCl)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 100178131 CXQZQPFYUXEBTP-TXEJJXNPSA-N 318.845 2.910 50 40 DFGB N#C/C(=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(N)=O 409337719 YZLDPBWZXXHULS-WEVVVXLNSA-N 316.700 2.690 50 40 DFGB CCOc1cccc(/C=N/NC(=O)CNc2ccc(F)cc2)c1 408692443 MPWJAVJWTINDPC-RGVLZGJSSA-N 315.348 2.787 50 40 DFGB Cn1cccc1CC(=O)N/N=C\C(Cl)=C\c1ccccc1 31841440 DJPJAKGCORAPME-WVOAVMQWSA-N 301.777 2.950 50 40 DFGB CC[C@@H](C)n1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cn1 253406358 UKNPEHUTHCUOOO-MEBBXXQBSA-N 312.373 2.669 50 40 DFGB Cc1oc(C)c(C(=O)NNc2oc(C(C)C)nc2C#N)c1C 58024359 DGEDHLFLNOCMKA-UHFFFAOYSA-N 302.334 2.945 50 40 DFGB CC[C@@H](Oc1ccc(C)cc1)C(=O)NNC(=O)c1cccs1 12137425 ALNWPZNUCSEVHE-CYBMUJFWSA-N 318.398 2.675 50 40 DFGB C[C@@H](CI)NC(=O)OCc1ccccc1 95643261 NTUAECGJTISEEG-VIFPVBQESA-N 319.142 2.736 50 40 DFGB in-vitro O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccccn1 31049 MRZYSDSYUMVKLT-CIAFOILYSA-N 304.353 2.797 50 40 DFGB CC1=C(C#N)[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)CC(=O)N1 14165605 YYDSZULXVQHQBZ-LLVKDONJSA-N 323.274 2.578 50 40 DFGB O=C(NNC(=O)c1ccccc1F)c1cccc(-n2cccc2)c1 12539535 PLQQZSUVMBDIBT-UHFFFAOYSA-N 323.327 2.691 50 40 DFGB C/C(CC(=O)Nc1cccc(C)c1C)=N\NC(=O)c1ccccn1 4690524 GJVPIKLFSJRFJW-FYJGNVAPSA-N 324.384 2.833 50 40 DFGB COc1cc(OC)cc(C(=O)N/N=C(\C)c2cccs2)c1 46193026 YMWFGFICMXMWQO-MHWRWJLKSA-N 304.371 2.919 50 40 DFGB COc1cc(C(=O)NN)cc(Cl)c1OCc1ccccc1 141074801 WXCZROYEGBPWGH-UHFFFAOYSA-N 306.749 2.531 50 40 DFGB CCOC(=O)/C(C#N)=C/NN=C1c2ccccc2-c2ccccc21 7698175 VPJRJGUZKFFQPT-OUKQBFOZSA-N 317.348 2.980 50 40 DFGB N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(O)cc1 408796829 QBRQLLXNMNXXDY-FMIVXFBMSA-N 309.281 2.846 50 40 DFGB CCN(C(=O)OC(C)(C)C)C1CCC(NC(=O)CCl)CC1 79390982 ZJSTZYSCQLURQR-UHFFFAOYSA-N 318.845 2.910 50 40 DFGB O=C(NN=Cc1ccc(O)c(O)c1)c1cc2ccccc2cc1O 242677097 SYNDQCRDGGCQRZ-UHFFFAOYSA-N 322.320 2.721 50 40 DFGB Cc1cc2c(c(=O)[nH]1)[C@H](c1ccccc1Cl)C(C#N)=C(N)O2 1480515 CECDRZJDWHHSRQ-CYBMUJFWSA-N 313.744 2.555 50 40 DFGB O=C(NN(c1ccccc1)c1ccccc1)c1cccc[n+]1[O-] 58365673 INYBMGDYJYFFLJ-UHFFFAOYSA-N 305.337 2.803 50 40 DFGB CCC1=C(C(=O)OC)[C@H](c2ccccc2Cl)C(C#N)=C(N)O1 4652844 KSQAAPMKAWNSCM-CYBMUJFWSA-N 318.760 2.985 50 40 DFGB N#C/C(=C\c1cn2cc(Cl)ccc2n1)C(=O)NC1CCCC1 98055354 BLDYVFUYHGAVEE-YRNVUSSQSA-N 314.776 2.953 50 40 DFGB CC(=O)/C=C(\C)NCCSSCCN/C(C)=C/C(C)=O 408723340 RRPVGIFZWMENAA-WGDLNXRISA-N 316.492 2.533 50 40 DFGB CCOc1ccc(CC(=O)N/N=C\c2ccccc2OC)cc1 408711859 NUJFSCZXLGOEQN-UYRXBGFRSA-N 312.369 2.787 50 40 DFGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)O)C/C2=N\NC(=O)c1ccco1 16739561 CVIUSHARRRYTTR-XEBPYGPHSA-N 304.346 2.666 50 40 DFGB COc1ccc(OC)c(/C=N/NC(=O)c2cccc(F)c2)c1 43304 UMSTTZGNHFQVCD-VCHYOVAHSA-N 302.305 2.607 50 40 DFGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2OC)cc1O 559276 PEKZSSLKGBZMRS-UKTHLTGXSA-N 324.336 2.955 50 40 DFGB CCOC(=O)C(C(=O)OCC)=C(C#N)c1c[nH]c2ccccc12 1601587 XETLNBYAKMGZMS-UHFFFAOYSA-N 312.325 2.571 50 40 DFGB O=C(Cl)c1ccc(N2C[C@@H](C(=O)Cl)CC2=O)cc1Cl 100680312 ISVBSPDGXDPKQE-LURJTMIESA-N 320.559 2.837 50 40 DFGB CC(C)(C)OC(=O)NNC(=O)c1cccc(C(F)(F)F)c1 12973829 AAXUEEWLIDWFQG-UHFFFAOYSA-N 304.268 2.875 50 40 DFGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C\c1cccc([N+](=O)[O-])c1 33247428 VWLWWWJEAAZRFM-ABJCYGQUSA-N 301.346 2.871 50 40 DFGB COc1ccc2c(c1)N(C(C)(C)C(=O)NN)C(C)(C)C[C@@H]2C 223208527 FXVSGTDYESGTSL-NSHDSACASA-N 305.422 2.556 50 40 DFGB COc1ccc(C(=O)N/N=C/c2ccc[nH]2)cc1Br 70240 IDWNAIHWIMCQCW-LZYBPNLTSA-N 322.162 2.550 50 40 DFGB CCc1ccc(NC(=O)C(=O)N/N=C/C2CCCCC2)cc1 16161680 DOQQFUGIFIHGAX-LDADJPATSA-N 301.390 2.870 50 40 DFGB CSC1=Nc2ccccc2C2=NC[C@H](CBr)N12 20405448 ZYZCMNNWRUIHLG-QMMMGPOBSA-N 310.220 2.876 50 40 DFGB CC[C@H](C)n1cc(/C=C(/C#N)C(=O)NC(N)=O)c2ccccc21 409228122 UIKAWXGFEZXBMT-LCFDYFRESA-N 310.357 2.714 50 40 DFGB COCCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(C#N)cc2)o1 409022257 LESYOYRZWKJTMK-XNTDXEJSSA-N 322.320 2.915 50 40 DFGB CC(C)CCOc1ccc(C(=O)NNC(=O)C(C)(C)C)cc1 5938191 RJWMNUCUQXBHQJ-UHFFFAOYSA-N 306.406 2.919 50 40 DFGB Cc1ccc(OCC(=O)NNC(=O)Nc2ccccc2)c(C)c1 498537 OIDWSNYATJVPSO-UHFFFAOYSA-N 313.357 2.535 50 40 DFGB N#Cc1ccccc1OCC(=O)N/N=C1/CCCc2ccccc21 105513780 SOZJELATSNOEFA-FXBPSFAMSA-N 319.364 2.794 50 40 DFGB COC(=O)N[C@@H]1CC/C=C/CC[C@@H]1I 104152178 PYBGGNVEOFVCKL-AHQHDXANSA-N 309.147 2.645 50 40 DFGB COc1ccc(/C=N\NC(=O)c2ccc(C)nc2)cc1Cl 28616267 ZTLAHVZEJWMTGX-LSCVHKIXSA-N 303.749 2.816 50 40 DFGB Cc1ccc2occ(/C=N/NC(=O)c3ccccc3O)c(=O)c2c1 3649379 UJQOMSYTZCOFPH-DJKKODMXSA-N 322.320 2.571 50 40 DFGB N#CC1=C(N)Oc2n[nH]c(-c3ccncc3)c2[C@H]1c1ccsc1 4166702 LDLCDSUXOQQJFQ-LBPRGKRZSA-N 321.365 2.751 50 40 DFGB COC(=O)c1ccc(C(=O)OC)c(-c2ccc(C(=O)Cl)o2)c1 218717557 DQMSZEWOHPTXEN-UHFFFAOYSA-N 322.700 2.899 50 40 DFGB Cc1ccc(/C=N\NC(=O)c2cc(Br)ccc2O)o1 33762125 VCULKFJLFPZVLK-CHHVJCJISA-N 323.146 2.820 50 40 DFGB Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)CCCCl 6079424 SZKDGXHNLFATQW-UHFFFAOYSA-N 314.794 2.525 50 40 DFGB O=C(O)/C=C/C(=O)Nc1ccc(OC(F)(F)[C@@H](F)Cl)cc1 36067641 GYQQNDDALGSLMJ-MVIFTORASA-N 323.654 2.772 50 40 DFGB COc1cccc(/C=N/NC(=O)c2cccc3cc[nH]c23)c1OC 3169232 OTJPTODPBORKDT-RGVLZGJSSA-N 323.352 2.949 50 40 DFGB O=C(N/N=C\c1ccccc1O)c1ccccc1-n1cccc1 17125972 QVTPMTWFYDVYPY-UYRXBGFRSA-N 305.337 2.947 50 40 DFGB C[C@@]1(c2ccc(Cl)cc2)C(C#N)=C(N)NC(S)=C1C#N 3189285 OSGVFDMJOBPUKG-CQSZACIVSA-N 302.790 2.560 50 40 DFGB CCc1cccc2c(/C=N/NC(=O)Cn3nc(C)cc3C)c[nH]c12 6686995 PFSYNQVGHAKQGW-KEBDBYFISA-N 323.400 2.694 50 40 DFGB COc1ccc(C(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)cc1 5289188 PRGMRBAMULNYGS-GZTJUZNOSA-N 313.313 2.757 50 40 DFGB CCn1c(C)cc(/C=N\NC(=O)Cc2ccc(OC)cc2)c1C 409096438 KDLNYTZZIJLISE-UNOMPAQXSA-N 313.401 2.826 50 40 DFGB CCn1c(C)cc(/C=N/NC(=O)c2cccc(N(C)C)c2)c1C 409103099 AMGRMLVHZNHEGS-XDHOZWIPSA-N 312.417 2.955 50 40 DFGB O=C(NNc1ncccc1Cl)Nc1ccc2c(c1)OCO2 56330843 FTUUYZKGWRNXKQ-UHFFFAOYSA-N 306.709 2.612 50 40 DFGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(F)cc2)c(C)c1 3166786 SIPKQXOPZRZDOJ-VXLYETTFSA-N 313.332 2.531 50 40 DFGB O=C(N/N=C/c1ccccc1C(=O)O)c1cc(Cl)ccc1O 13186867 ZLZRJXNZHAWDDI-CAOOACKPSA-N 318.716 2.508 50 40 DFGB N#C/C(=C\c1ccccc1OCC(=O)O)C(=O)Nc1ccccc1 13343029 HYELRPFNGAHKGI-GXDHUFHOSA-N 322.320 2.696 50 40 DFGB O=C(NNC(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1 6331171 YNHNYWRPKVOYIT-UHFFFAOYSA-N 307.712 2.946 50 40 DFGB CCOc1ccc(CC(=O)N/N=C\c2ccc(F)cc2)cc1 408711948 RXRRZFOGYRMYRF-UNOMPAQXSA-N 300.333 2.917 50 40 DFGB O=C(N/N=C\c1ccc(N2CCCC2)cc1)c1ccccc1O 33329038 DDOIGOJCYXQWOK-UYRXBGFRSA-N 309.369 2.756 50 40 DFGB Cc1ccc(NCC(=O)N/N=C/c2ccc(N(C)C)o2)cc1C 408999560 WVUZDCVYCXWNTK-VXLYETTFSA-N 314.389 2.525 50 40 DFGB CCOc1ccc(CC(=O)N/N=C/c2cccc(OC)c2)cc1 10475954 RBNCLCBUXYBTJH-CPNJWEJPSA-N 312.369 2.787 50 40 DFGB O=C(O)c1cccc(-n2cccc2/C=N\NC(=O)c2ccco2)c1 409107275 RNEIOTSBJXZPIQ-WQRHYEAKSA-N 323.308 2.532 50 40 DFGB COc1ccc(Cl)cc1C(=O)N/N=C(\C)c1ccncc1 5621046 GLDASTNKGMSLNX-VCHYOVAHSA-N 303.749 2.898 50 40 DFGB O=C(Cl)Cc1ccc(-c2nn3cnnc3s2)cc1Cl 41126914 PTBUBYZOIMZYCE-UHFFFAOYSA-N 313.169 2.814 50 40 DFGB CCc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)NC2CC2)cc1 20212500 KDGOVIPTRBKLPE-NTEUORMPSA-N 306.369 2.825 50 40 DFGB O=C(CCl)NC(=O)N(/N=C/c1ccco1)c1ccccc1 4921168 WKLRQYPVRNCELI-MHWRWJLKSA-N 305.721 2.595 50 40 DFGB N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)NCc1ccccc1 2198501 FZYYSRRYVZNCSI-XNTDXEJSSA-N 307.309 2.818 50 40 DFGB O=C(N/N=C/c1ccccc1C(=O)O)c1cccc(Cl)c1 6258461 VJTHHVUBNGZKDZ-RQZCQDPDSA-N 302.717 2.802 50 40 DFGB Cc1cccc(C(=O)N/N=C2/C(=O)N(C(C)C)c3ccccc32)c1 409222888 FIYNGVSURMRSPZ-LVZFUZTISA-N 321.380 2.884 50 40 DFGB CCOC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1N(CC)CC 408996888 KIOVRTMFUMLQBO-UKTHLTGXSA-N 317.345 2.911 50 40 DFGB O=C(CCl)N1CCC[C@@H]1CN(Cc1ccccc1)C1CC1 79415074 IGGRBXBUXRFIHC-MRXNPFEDSA-N 306.837 2.881 50 40 DFGB CCn1nc(C)c(/C=N/NC(=O)c2c[nH]c3ccccc23)c1C 372703 ZOTYKHWGDRVZAA-VXLYETTFSA-N 309.373 2.765 50 40 DFGB O=C1O[C@H]2C[C@]34CCCC[C@]3(C[C@H]2I)[C@@H]14 104282064 PEFIJDLONBYQKX-TWXYISROSA-N 318.154 2.686 50 40 DFGB CN(C)c1ccc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)cc1 409205477 NPAJCVFVNGAILY-UOBPLZBXSA-N 306.369 2.510 50 40 DFGB CCO[Si](CCCOC(=O)NC(C)(C)C)(OCC)OCC 197051325 CTTNDYQVJLFCHW-UHFFFAOYSA-N 321.490 2.950 50 40 DFGB N#C/C(=C\c1ccccc1[N+](=O)[O-])c1nnc2n1CCCCC2 12680410 YKRYZRSUDYJJBT-JLHYYAGUSA-N 309.329 2.977 50 40 DFGB CCOc1ccc(/C=N/NC(=O)c2ccc(OC)cc2O)cc1 409390383 CTLXAIBVVUDJPO-WOJGMQOQSA-N 314.341 2.563 50 40 DFGB Cc1cc(Br)ccc1-c1ccc(CCC(=O)NN)o1 216924287 DOUGJHPPZBREAL-UHFFFAOYSA-N 323.190 2.940 50 40 DFGB CCOc1cccc2cc(C(=O)NNc3ccccc3)c(=O)oc12 16693344 VMKSVSROUYDUIN-UHFFFAOYSA-N 324.336 2.949 50 40 DFGB COc1ccc(OC)c(/C=N\NC(=O)Cc2ccc(C)cc2)c1 33294374 FASANCUEPKTPEE-UNOMPAQXSA-N 312.369 2.705 50 40 DFGB CC(C)c1ccc(OCC(=O)NNC(=O)c2cccs2)cc1 5849192 OWDQLVAPYGPIGI-UHFFFAOYSA-N 318.398 2.712 50 40 DFGB N#CC1=C(N)n2c(nc3ccccc32)N[C@@H]1c1cccc(O)c1 20086151 DIWZIDHFAAKVMM-OAHLLOKOSA-N 303.325 2.560 50 40 DFGB COc1ccc(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc1OC 110920490 SJSMAYIKPRLJRB-XPYLLEAFSA-N 316.401 2.980 50 40 DFGB CC(/C=C/c1cccc([N+](=O)[O-])c1)=N\NC(=O)c1ccncc1 13111742 RISAQECNGMWJQP-YADWXFRQSA-N 310.313 2.809 50 40 DFGB O=C(N/N=C/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1O 4827582 DBUSEUKNKPXZPE-CRXRTXPVSA-N 311.297 2.729 50 40 DFGB C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C\c1ccc([N+](=O)[O-])cc1 33401769 KPAJWYDGZZITBI-NTRNKVOISA-N 301.346 2.871 50 40 DFGB NNC(=O)CCc1ccc(OCc2ccc(Cl)cc2)cc1 226345120 BLNVCWMIJVKKOT-UHFFFAOYSA-N 304.777 2.842 50 40 DFGB O=C(NNC(=O)N1CCC[C@H]1c1ccsc1)c1ccccc1 50098354 ZURONLYBGKOBCZ-AWEZNQCLSA-N 315.398 2.940 50 40 DFGB N#Cc1ccccc1-c1ccc(/C=N/NC(=O)c2ccncc2)o1 1007868 DNTGSJJZXMRFAS-CIAFOILYSA-N 316.320 2.977 50 40 DFGB CCSC1=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)CC(=O)N1 6265696 LSTOEXRFQJJFRK-NSHDSACASA-N 303.343 2.687 50 40 DFGB C=CCSC1=C(C#N)[C@@H](c2ccccc2OC)CC(=O)N1 8971624 JVQIOKSDENFBDR-GFCCVEGCSA-N 300.383 2.953 50 40 DFGB COc1cc(O)c(C2C(C#N)=C(C)NC(C)=C2C#N)c(OC)c1 19681231 JMKZCOGYIDOBJF-UHFFFAOYSA-N 311.341 2.691 50 40 DFGB NNC(=O)c1cn(C(=O)c2cccc(Cl)c2)c2ccccc12 216953814 RCERIUHYRIQILT-UHFFFAOYSA-N 313.744 2.587 50 40 DFGB N#C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)NC[C@H]1CCCO1 802019 GCEHAGRESJNFQR-CEFACKQISA-N 324.302 2.908 50 40 DFGB C/C(=N\NC(=O)c1ccoc1C)c1ccc(-n2ccnc2)cc1 1005651 JSAWZWJXSIIRQK-XDHOZWIPSA-N 308.341 2.928 50 40 DFGB CC[C@H](Br)C(=O)Nc1nnc(CC(C)C)s1 12016223 ZKWTZEQPPJJPDV-ZETCQYMHSA-N 306.229 2.849 50 40 DFGB CCCNC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(OC)cc1 5728023 LCRWCSYMVFNRAS-LCYFTJDESA-N 310.357 2.518 50 40 DFGB CNc1ccc(/C=C(\C#N)C(=O)Nc2ccccn2)cc1[N+](=O)[O-] 5838919 FPUQPGSEJRDRMP-XYOKQWHBSA-N 323.312 2.577 50 40 DFGB C[C@@H](Cl)C(=O)N1CCC(Oc2cnc3ccccc3n2)CC1 90678294 OMJIYEBKYSBTDB-LLVKDONJSA-N 319.792 2.627 50 40 DFGB COc1ccccc1NCC(=O)N/N=C\c1ccc(Cl)cc1 30802566 KFDKTTWQWAHQEO-GRSHGNNSSA-N 317.776 2.911 50 40 DFGB O=C(CCl)N(C[C@H]1CCN(Cc2ccccc2)C1)C1CC1 79393755 KDKKSYHILNFNNN-HNNXBMFYSA-N 306.837 2.738 50 40 DFGB O=S1(=O)C[C@@]23C=C[C@@H](Br)C[C@@]2(CCCC3)C1 45028153 SEEZTZCGPVJVIE-UTUOFQBUSA-N 305.237 2.685 50 40 DFGB Cn1c(SCCCCl)nnc1-c1ccc2c(c1)OCO2 199768976 WALDWEDWIAYOEH-UHFFFAOYSA-N 311.794 2.932 50 40 DFGB CC(=O)/C(=N/N[C@@H]1C(Cl)=CC=C[C@@H]1Cl)N1CCCCC1 96191872 JQWMUVYHEKJNMI-CSENDCNOSA-N 316.232 2.633 50 40 DFGB C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1ccc(C)cc1 5003500 XOVWZDGECMPTLM-HNMKQIAWSA-N 310.353 2.675 50 40 DFGB CO[C@]12c3ccccc3-c3ccccc3[C@H]1[C@H]1C(=O)OC(=O)[C@@H]12 104210355 JVUYITYOPQCFKX-YYAJDYIMSA-N 306.317 2.622 50 40 DFGB COc1ccc(C(=O)N/N=C/c2c(C)[nH]c3ccccc23)c(O)c1 409393280 WTJWLTREOCUGNA-VXLYETTFSA-N 323.352 2.954 50 40 DFGB Cc1[nH]c2ccccc2c1/C=N\NC(=O)c1ccc2c(c1)OCO2 32138788 QBUQMOZKMCJPKS-OCKHKDLRSA-N 321.336 2.969 50 40 DFGB CC(C)[C@H](C(=O)NN)N1c2ccc(F)cc2[C@H](C)CC1(C)C 260625027 YAEVTWKJZRPQBO-IAQYHMDHSA-N 307.413 2.932 50 40 DFGB COc1ccc(/C(C)=N/NC(=O)COc2ccc(C)cc2)cc1 354632 NUMAUFDVXUQDKJ-XMHGGMMESA-N 312.369 2.923 50 40 DFGB COC(=O)c1ccc(C(Br)Br)cn1 101074412 NVXBFVONIIQOCJ-UHFFFAOYSA-N 308.957 2.657 50 40 DFGB N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1cccc(C(=O)O)c1 408542356 LCQZDFUOBBTQSA-JYRVWZFOSA-N 308.293 2.636 50 40 DFGB CCOC(=O)c1ccc(NC(=O)[C@H](C)Br)cc1 12016236 GKCSOMOXXDIABR-QMMMGPOBSA-N 300.152 2.585 50 40 DFGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1)c1c[nH]c2ccccc12 33295848 JXESNBIABDNWPC-NVMNQCDNSA-N 308.297 2.840 50 40 DFGB NC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 6220303 RAAWXCJDVKXQAM-GIDUJCDVSA-N 308.681 2.510 50 40 DFGB COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c1 76472 ZMPJRJAZTBPIDQ-KRWDZBQOSA-N 324.336 2.628 50 40 DFGB CCN1CCN(C2=CC3=CC(=C(C#N)C#N)CC[C@@H]3CC2)CC1 22036223 SNLWWZFCBNHEJV-OAHLLOKOSA-N 308.429 2.982 50 40 DFGB NC(=O)c1c(NC(=O)CCCCl)sc2c1CCCC2 1786782 PQRCQKFOJZPQOI-UHFFFAOYSA-N 300.811 2.683 50 40 DFGB COc1nc2c([nH]1)[C@@H](c1ccccc1C(C)(C)C)C(C#N)=C(N)O2 6419555 XEFJRUQLKWYLRT-ZDUSSCGKSA-N 324.384 2.934 50 40 DFGB Cc1occc1C(=O)NNC(=O)N[C@@H](C)c1cccc(Cl)c1 32795446 BSBFPJBJMHJGGO-VIFPVBQESA-N 321.764 2.947 50 40 DFGB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccco1)C(C#N)=C(N)O2 406831 XHMCPIHBFUJMPR-INIZCTEOSA-N 318.336 2.992 50 40 DFGB O=C(CCC(=O)Nc1ccc(F)cc1)N/N=C/c1ccccc1 3148499 LIRZIWZRWLHBBX-XDHOZWIPSA-N 313.332 2.695 50 40 DFGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)NCc1cccs1 59534282 ROVOJSSUAUERQW-KPKJPENVSA-N 313.338 2.880 50 40 DFGB O=C(N/N=C\c1ccc(N2CCCC2)c(F)c1)c1ccco1 409065941 JLGPTZJAVXJOHD-WQRHYEAKSA-N 301.321 2.783 50 40 DFGB CC(C)[C@@H]1CC[C@H](C)C/C1=N\NC(=O)CN1CCCCCC1=O 84689047 KCXPNPFULGWWTA-ZYBWJBSQSA-N 321.465 2.953 50 40 DFGB CC[C@@H](C)NC(=O)c1cccc(NC(=O)CBr)c1 35605257 LKDSAKBCPFDYDR-SECBINFHSA-N 313.195 2.548 50 40 DFGB COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2O)cc1 71782785 MHRJHEHPEYZJAR-MFOYZWKCSA-N 304.733 2.818 50 40 DFGB CC(C)[C@H](Br)C(=O)N1CCC[C@H](c2cn[nH]c2)C1 96515833 LYFSBRSCYSHZKF-JQWIXIFHSA-N 314.227 2.535 50 40 DFGB C=CCn1/c(=N/NC(=O)c2ccncc2)sc2ccccc21 17125694 AWYNPUWRSORFIR-MNDPQUGUSA-N 310.382 2.530 50 40 DFGB COC(=O)N(C)NC(=O)Nc1ccc(F)cc1C(F)(F)F 583651906 VORMDHZMMGNUKA-UHFFFAOYSA-N 309.219 2.579 50 40 DFGB Cc1c(C(=O)NNC(=O)c2cccs2)oc2ccccc12 5272714 NZKXMSOCKKVABG-UHFFFAOYSA-N 300.339 2.878 50 40 DFGB CC(=O)/C(=N/N[C@H]1C(Cl)=CC=C[C@H]1Cl)N1CCCCC1 96191869 JQWMUVYHEKJNMI-YYDSBSOSSA-N 316.232 2.633 50 40 DFGB O=C(NNc1nc(-c2cccc(O)c2)cs1)C(F)(F)F 1415087 GAPGOECNMHHYAX-UHFFFAOYSA-N 303.265 2.521 50 40 DFGB C=CCNC(=O)/C(C#N)=C/c1cc(Br)ccc1OC 3313795 VHYZBCDJXQSZHD-YRNVUSSQSA-N 321.174 2.667 50 40 DFGB Cc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c(Cl)c1 9190590 KETYRAFJSMOTLR-VIZOYTHASA-N 307.693 2.914 50 40 DFGB Cc1cccc(/C=N/NC(=O)COc2cccc(Cl)c2)c1O 3152850 HUUASHOLHAQEDY-GIJQJNRQSA-N 318.760 2.883 50 40 DFGB COc1ccc2[nH]c(C(=O)N/N=C/c3ccccc3OC)cc2c1 2203162 FOJVDGMRQOQJKL-YBFXNURJSA-N 323.352 2.949 50 40 DFGB CC1=C(C(=O)OCCCCl)[C@H](c2ccc(C)cc2)NC(=O)N1 4091282 XFJKYLSBHOGTNF-AWEZNQCLSA-N 322.792 2.795 50 40 DFGB Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@@H]2C)c(C)n1-c1ccccc1 7738040 VGKWZJFZHJXQAW-XHDPSFHLSA-N 311.385 2.511 50 40 DFGB O=C(CCCl)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 39771965 XRUULELTXQNJHZ-UHFFFAOYSA-N 312.738 2.681 50 40 DFGB CC(C)[C@H](Br)C(=O)Nc1cnn(CCCCF)c1 96508973 ZIDIOZSENRYLDN-NSHDSACASA-N 320.206 2.991 50 40 DFGB N#C/C(=C\Nc1ccc2c(c1)OCO2)C(=O)NCc1ccccc1 101192750 QIRDSQIXKOHNRU-SDNWHVSQSA-N 321.336 2.551 50 40 DFGB CC(C)(C)c1[nH]nc2c1[C@@H](c1ccsc1)C(C#N)=C(N)O2 13151291 NSBXVNGFYPNCIY-JTQLQIEISA-N 300.387 2.987 50 40 DFGB C[C@@H](Nc1cccc(Cl)c1)C(=O)N/N=C/c1ccccn1 126415 QAQNZUIRORMRCY-VDCVXVNISA-N 302.765 2.686 50 40 DFGB CN(C)C(=O)/C(C#N)=C\c1ccc(-c2ccc(C(=O)O)cc2)o1 59333654 JGPSOWBPPWAYFC-LCYFTJDESA-N 310.309 2.640 50 40 DFGB O=C(N/N=C/c1ccncc1)c1cc(Cl)cc(Cl)c1O 4703528 QBVGTZJIABGWCI-REZTVBANSA-N 310.140 2.858 50 40 DFGB N#C/C(=C/c1cccnc1)c1nc(N)nc(Nc2ccccc2)n1 96931109 LEQWFARDUREDOE-LCYFTJDESA-N 315.340 2.657 50 40 DFGB Cc1nc(N)sc1C(=O)NN=C1C2CC3CC(C2)CC1C3 42675806 IKYGXIWIKWZAIV-UHFFFAOYSA-N 304.419 2.576 50 40 DFGB O=C(N/N=C/c1ccc(O)cc1)c1ccc(Br)cc1 41179 JMMYXLCSRJTBIS-CXUHLZMHSA-N 319.158 2.919 50 40 DFGB O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccncc1 249809 LKSNAGMUEYRBPX-REZTVBANSA-N 310.140 2.858 50 40 DFGB COc1ccc(/C=N/NC(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 562547 PDAIBCRMSSHKNA-LICLKQGHSA-N 313.313 2.676 50 40 DFGB Cc1cc(Cl)ccc1NC(=O)NNC(=O)c1ccccc1O 3085999 FDHMKIJDSUTAEL-UHFFFAOYSA-N 319.748 2.821 50 40 DFGB Cc1ccc(C)n1/C(C#N)=C(\C#N)NC(=O)C(C)(C)CCl 4093041 IYTWKCYACIBFMQ-OUKQBFOZSA-N 304.781 2.702 50 40 DFGB C/C(=N\NC(=O)COc1ccc(Cl)c(C)c1)c1cccnc1 8183364 IGGBFENQOMRWMJ-XDHOZWIPSA-N 317.776 2.963 50 40 DFGB CCS(=O)(=O)c1cc(CI)ccc1C 218310014 PNOARHVTDQBLDP-UHFFFAOYSA-N 324.183 2.724 50 40 DFGB Cc1c(NC(=S)NC(=O)CCCCl)cccc1C(=O)O 6571294 IRFPVPVRBSLFBZ-UHFFFAOYSA-N 314.794 2.525 50 40 DFGB NNC(=O)c1ccc(-c2ccc(Cl)cc2Br)o1 57353712 VTMNEVMJXOBLPA-UHFFFAOYSA-N 315.554 2.966 50 40 DFGB O=C(Cl)c1cc(N2C[C@@H](C(=O)Cl)CC2=O)ccc1Cl 100680268 VKHVQGYECGDQGF-LURJTMIESA-N 320.559 2.837 50 40 DFGB COc1ccc(C(=O)N/N=C/c2ccc(C)c([N+](=O)[O-])c2)cc1 8228601 OZPFWWOOBFQVKW-LICLKQGHSA-N 313.313 2.676 50 40 DFGB COc1ccc(OC)c(/C=C(/C#N)C(=O)NCc2ccccc2)c1 40889235 HENBQCGWARXVEO-YBEGLDIGSA-N 322.364 2.927 50 40 DFGB COc1ccc2c(c1)N([C@H](C(=O)NN)C(C)C)C(C)(C)C=C2C 260624748 UKFWCQBGPPCSOG-INIZCTEOSA-N 317.433 2.712 50 40 DFGB C#CCOc1ccccc1/C=C(\C#N)C(=O)NCc1ccco1 6209506 IWBBCDPWOAZHCO-RVDMUPIBSA-N 306.321 2.515 50 40 DFGB Cc1nn(-c2ccccc2)c(O)c1/C=N\NC(=O)OC(C)(C)C 4860630 PGVJAVHFDDPRBU-YVLHZVERSA-N 316.361 2.745 50 40 DFGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccncc1 93748 VQTDQYGVZQXHLG-VDCVXVNISA-N 303.749 2.653 50 40 DFGB CC(C)Oc1ccc(C(=O)NNC(=O)c2cccs2)cc1 569138 JWMHJCOGQZKAJL-UHFFFAOYSA-N 304.371 2.610 50 40 DFGB C/C(=N\NC(=O)c1cccc(F)c1)c1ccc2c(c1)OCO2 4614428 XPCVBYMQZDHJNN-VCHYOVAHSA-N 300.289 2.708 50 40 DFGB CCN(CC)c1ccc(/C=N\NC(=O)c2ccccc2N)cc1 137599880 QLFSYGANGZSGPG-MOSHPQCFSA-N 310.401 2.879 50 40 DFGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1cccc([N+](=O)[O-])c1 353662 LXDLVKIVINTNJR-LICLKQGHSA-N 317.732 2.941 50 40 DFGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(SC)cc1 59400 QCUZDLBWSWXIKI-AWEZNQCLSA-N 316.382 2.663 50 40 DFGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccs1 59534285 ODBUCBGZVAPDQE-XYOKQWHBSA-N 313.338 2.880 50 40 DFGB CC[C@H]1CN2CC[C@@]34C(=C(C=O)[C@H]1C[C@H]23)N(C)c1ccccc14 43741780 AYYGQHJUBAEPOC-OACKDKIBSA-N 308.425 2.961 50 40 DFGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2O)cc1 408890470 UHNQYQDOYMHZNQ-UKTHLTGXSA-N 324.336 2.955 50 40 DFGB C/C(=N\NC(=O)CCCc1ccccc1)c1ccc(O)cc1O 5369997 QHTPPFWDJSSDOD-CPNJWEJPSA-N 312.369 2.961 50 40 DFGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1O 265905 LDVJZYDVIZUKQO-FMIVXFBMSA-N 309.281 2.846 50 40 DFGB CCOC(=O)CN(C(=O)CCl)c1c(CC)cccc1CC 2007709 WFKSADNZWSKCRZ-UHFFFAOYSA-N 311.809 2.946 50 40 DFGB in-vitro CC(C)[C@H]1CC[C@H](C)C/C1=N\NC(=O)CN1CCCCCC1=O 58682732 KCXPNPFULGWWTA-XXKVJXOSSA-N 321.465 2.953 50 40 DFGB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Br)cc1 12016234 GKCSOMOXXDIABR-MRVPVSSYSA-N 300.152 2.585 50 40 DFGB COc1cc(C(=O)N/N=C2/C[C@H]3CC[C@@H]2C3)cc(OC)c1OC 4646893 VDAJYEQZNCDILE-AMDODJAPSA-N 318.373 2.618 50 40 DFGB CCn1cccc1/C=N\NC(=O)COc1cccc(Cl)c1 408942267 XCRFKGHACQZODE-YVLHZVERSA-N 305.765 2.691 50 40 DFGB C[C@H](Cl)C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 39757833 AQFXKGIVINOOPU-LURJTMIESA-N 312.738 2.679 50 40 DFGB Cc1ccc(OCC(=O)N/N=C2\CCOc3c(C)cccc32)cc1 376703 PPBDDNUIOPDBCR-LVZFUZTISA-N 324.380 2.985 50 40 DFGB O=C(N/N=C\c1ccccc1O)c1ccccc1NC(=O)C1CC1 17024084 FGYBHURXZRAWRM-ODLFYWEKSA-N 323.352 2.505 50 40 DFGB N#CC1=C(N)N2CCSC2=C(C#N)[C@H]1c1ccccc1Cl 205264 SYPMMJNKSFFYPF-ZDUSSCGKSA-N 314.801 2.915 50 40 DFGB NNC(=O)c1ccc(COc2cccc(Cl)c2Cl)o1 2568597 YEGIDTDZJNADBD-UHFFFAOYSA-N 301.129 2.769 50 40 DFGB CCOC(=O)[C@H](/C(C)=N/NC(=O)CCc1ccccc1)C(C)C 4394119 NJBCQNVCOBVLAF-WFVLPUPGSA-N 318.417 2.947 50 40 DFGB COCCOc1ccc2nc(NC(=O)[C@H](C)Cl)sc2c1 20132109 PZUOPZOLGDRDQF-QMMMGPOBSA-N 314.794 2.887 50 40 DFGB CCOC(=O)/C(C#N)=C\C1=C(N2CCCC2)CC(C)(C)OC1 49952156 GQRDSCLQQVQUKA-LCYFTJDESA-N 304.390 2.548 50 40 DFGB COc1ccc(C(=O)NN)cc1OCc1ccccc1Cl 226319016 CGOJZDNBMHHOCT-UHFFFAOYSA-N 306.749 2.531 50 40 DFGB COc1ccc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc1 50355 ANERGMDZVLEQPY-VXLYETTFSA-N 317.776 2.911 50 40 DFGB CCOC(=O)COc1ccc(N(CCCl)CCCl)cc1 1676744 URNCGTCVMFULJB-UHFFFAOYSA-N 320.216 2.913 50 40 DFGB O=C(N/N=C/c1cc(O)ccc1Br)c1ccccc1 4814059 NXLYWMLETBPMRR-CXUHLZMHSA-N 319.158 2.919 50 40 DFGB COc1cc(Cl)cc(/C=N\NC(=O)c2ccc(C)nc2)c1O 30713824 PSWOUMXHRARYSR-LSCVHKIXSA-N 319.748 2.522 50 40 DFGB CCC[C@H](C(=O)NN)N1c2c(OC)cccc2[C@@H](C)CC1(C)C 223222565 HKFJXDWAOZRWBR-GXTWGEPZSA-N 319.449 2.946 50 40 DFGB CCOC(=O)C1=CN2CCSC2=C(C#N)[C@H]1c1ccco1 95117467 KBWGAUAXWBAMDL-CYBMUJFWSA-N 302.355 2.608 50 40 DFGB COc1cc(C(=O)N/N=C2/C[C@H]3CC[C@H]2C3)cc(OC)c1OC 103798367 VDAJYEQZNCDILE-DWAGSSQZSA-N 318.373 2.618 50 40 DFGB CCn1cc(/C(C)=N/NC(=O)c2c[nH]c3ccccc23)c(C)n1 5878923 MWCJXGDOWAWIRN-YBFXNURJSA-N 309.373 2.847 50 40 DFGB Cc1cc(C(=O)NNC(=O)c2cc3c(s2)CCC3)c(C)o1 17445631 XMWGDJBVULGIFE-UHFFFAOYSA-N 304.371 2.521 50 40 DFGB NC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 478824 QEKGRPBESPKSOF-GIJQJNRQSA-N 303.749 2.921 50 40 DFGB Cc1cc(Br)ccc1N1C[C@@H](C(=O)Cl)CC1=O 45952711 DYQBZWOPHDKRDZ-QMMMGPOBSA-N 316.582 2.876 50 40 DFGB COc1cc(C(=O)N/N=C2\C[C@@H]3CC[C@H]2C3)cc(OC)c1OC 5558411 VDAJYEQZNCDILE-OUQHDXKZSA-N 318.373 2.618 50 40 DFGB CCCCC(=O)N/N=C(\C)CC(=O)Nc1ccc(OC)cc1 4402107 JSAKQWNLFWKZSF-LDADJPATSA-N 305.378 2.706 50 40 DFGB C/C(=C(/C#N)Sc1ccccc1[N+](=O)[O-])N1CCOCC1 3270929 HIAZKWOHTWMXFI-SDNWHVSQSA-N 305.359 2.774 50 40 DFGB CC(C)CNC(=O)CC(=O)NN=C1CCC(C(C)(C)C)CC1 59435606 ILRNGNOUIOPHHJ-UHFFFAOYSA-N 309.454 2.857 50 40 DFGB COC(=O)/C(C#N)=C(\NCc1ccccc1)Nc1ccccc1 104311192 IDCYILUNFFYACQ-WUKNDPDISA-N 307.353 2.796 50 40 DFGB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCl 4200284 GLJPMEAEOXKWGK-UHFFFAOYSA-N 309.580 2.629 50 40 DFGB O=C(CSCc1ccccc1)N/N=C/c1ccccc1O 18192280 JJZGEQBJVCFXSZ-LICLKQGHSA-N 300.383 2.776 50 40 DFGB CC[C@@H](C(=O)N/N=C/c1ccc(F)s1)n1cc(Cl)cn1 252501925 ULOOQOFCXNHTNO-JFEKIERCSA-N 314.773 2.839 50 40 DFGB CC(C)/C=C(\C#N)C(=O)N1CC[C@H](Cc2ccccc2)[C@@H](O)C1 585289832 OIDNNKSQVWBZGR-IMUAXZKZSA-N 312.413 2.544 50 40 DFGB CSc1ccc(/C=N/NC(=O)COc2ccccc2)cc1 498277 XIURLYLKSVWKKI-GZTJUZNOSA-N 300.383 2.938 50 40 DFGB CCOC(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 509628 MIGCKUARMIPIKK-CXUHLZMHSA-N 302.286 2.725 50 40 DFGB Cc1ccc(-c2cc(C(=O)NN)nn2-c2ccccc2)c(C)c1 59472485 OSJJJQQCOZZBAB-UHFFFAOYSA-N 306.369 2.760 50 40 DFGB C=CCc1cc(/C=N\NC(=O)c2ccco2)cc(OCC)c1O 32192944 RNJANTIVOILDJE-WQRHYEAKSA-N 314.341 2.876 50 40 DFGB N#C/C(=C/c1ccccc1[N+](=O)[O-])C(=O)NCCc1ccccc1 40889420 VIFOTWBADHELRQ-VBKFSLOCSA-N 321.336 2.861 50 40 DFGB CCOC(=O)/C(C(=O)CCl)=C(/C)Nc1ccc(OC)cc1 100205337 ZHSSVOWJAVLWPC-UVTDQMKNSA-N 311.765 2.752 50 40 DFGB COc1ccc(NCC(=O)N/N=C2/CCc3ccccc32)cc1 13145007 ILPSQGMOCWFPPY-JZJYNLBNSA-N 309.369 2.574 50 40 DFGB NNC(=O)CCc1ccc(-c2ccc(Br)cc2)o1 216923896 SOCCKOSAWLTGIK-UHFFFAOYSA-N 309.163 2.632 50 40 DFGB CCOC(=O)c1cn(CCCCl)c2ccc(F)cc2c1=O 199731517 YJUPACGBBUSOBF-UHFFFAOYSA-N 311.740 2.946 50 40 DFGB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N/N=C/c1ccc(O)c(O)c1)C2 1448542 CSDRVEKUFJFQPS-JIHKLXRNSA-N 314.385 2.930 50 40 DFGB N#C/C(=C/c1cccc([N+](=O)[O-])c1)c1nnc2n1CCCCC2 3893059 RMQNQDLBZOPXTA-LCYFTJDESA-N 309.329 2.977 50 40 DFGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1C[C@H]2C=C[C@H]1C2 102218048 JQJHAIVLIRQJJT-KHILYKJASA-N 314.429 2.562 50 40 DFGB CC1=C(C#N)[C@@H](/C=N/OCc2ccc(F)cc2Cl)CC(=O)N1 4084753 LWKMXUGZGKPHSI-FQDFOOGXSA-N 321.739 2.915 50 40 DFGB C=CCOC(=O)C1=C(C)NC(S)=C(C#N)[C@@H]1c1ccco1 19827443 XLZUCGIJCOLHCG-CYBMUJFWSA-N 302.355 2.635 50 40 DFGB O=C(Cc1ccc2ccccc2c1)NNC(=O)c1cccc(O)c1 9954506 ILEOXBLNKUOQNN-UHFFFAOYSA-N 320.348 2.549 50 40 DFGB O=C(O)[C@@H](Cl)C12CC3CC(C1)CC([C@@H](Cl)C(=O)O)(C3)C2 4782582 QHAWOQDUTATKSV-KTARAFJVSA-N 321.200 2.957 50 40 DFGB CCOc1ccc(C(=O)NN)cc1COc1ccc(C)cc1 224463183 XSQVGZAIOAAFIL-UHFFFAOYSA-N 300.358 2.576 50 40 DFGB O=C(Cl)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 5569789 XLWFZDKZKDFSGW-SSDOTTSWSA-N 302.555 2.567 50 40 DFGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2O)cc1 59318 HGLHNYNUAOWBBY-WOJGMQOQSA-N 311.341 2.505 50 40 DFGB Cc1cc(C)n(CCC(=O)N/N=C/c2ccccc2Cl)n1 502429 NJLKZNVKOSMKMP-LICLKQGHSA-N 304.781 2.694 50 40 DFGB C[C@H]1Oc2ccccc2C=C1/C=N/NC(=O)c1ccccc1O 503759 XQFSOUIKNCXTGR-ZGXHQARYSA-N 308.337 2.972 50 40 DFGB O=C(CCCCl)NC1=C(Cl)C(=O)c2ccccc2C1=O 3206649 FULGODZMBORGOG-UHFFFAOYSA-N 312.152 2.651 50 40 DFGB O=C([C@H](Cl)c1ccc(Br)cc1)N1CCOCC1 4387781 DUOXJZPFYMDHMZ-LLVKDONJSA-N 318.598 2.588 50 40 DFGB N#C/C(=C1/CCCCN1)S(=O)(=O)c1ccc(Cl)cc1F 98212083 GKLZWCVVCOWOHT-ACCUITESSA-N 314.769 2.761 50 40 DFGB CCOc1ccc(C(=O)N/N=C/c2cc(OC)ccc2O)cc1 8082249 UUOVNRAUSPLEPV-WOJGMQOQSA-N 314.341 2.563 50 40 DFGB CCCCC(=O)Oc1ccc(/C=C(\C#N)C(=O)OC)cc1OC 1775740 FGNMVNAMDSODDA-UKTHLTGXSA-N 317.341 2.871 50 40 DFGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccccc2N)c(O)c1 408589654 MKALIEPFCMJNIK-VXLYETTFSA-N 313.357 2.526 50 40 DFGB O=C(NN=C1CCCCCC1)C(=O)NN=C1CCCCCC1 5382506 NMYLSZRITHMRBR-UHFFFAOYSA-N 306.410 2.639 50 40 DFGB CCOc1cccc(/C=N/NC(=O)c2cccc(F)c2)c1O 4702471 QIKLHTVNEBKKIM-VCHYOVAHSA-N 302.305 2.694 50 40 DFGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)N(C)C)o2)cc1 33305929 KLHBNHFZXNXOEZ-UVTDQMKNSA-N 324.336 2.728 50 40 DFGB CC(C)N(C[C@@H]1CCN(C(=O)CCl)C1)C(=O)OC(C)(C)C 79390999 XGHFHVPFEYSZPD-GFCCVEGCSA-N 318.845 2.719 50 40 DFGB O=C(N/N=C/c1cccc(O)c1)c1ccccc1Br 3572267 CIPLPXMJLGDFMU-CXUHLZMHSA-N 319.158 2.919 50 40 DFGB O=C(CSc1cc(Cl)ccc1Cl)NNC(=O)C1CC1 6427964 YWEQDXZBRDYCMD-UHFFFAOYSA-N 319.213 2.643 50 40 DFGB O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc(=O)[nH]c2ccccc12 509951 DKIJFFAQLMHTJT-UHFFFAOYSA-N 310.265 2.656 50 40 DFGB COc1ccc(/C=N/NC(=O)COc2cc(C)cc(C)c2)cc1 345470 UZOFLIOAPUZYMN-YBFXNURJSA-N 312.369 2.841 50 40 DFGB CNC(=O)/C(C#N)=C/c1ccc(OCCOc2ccccc2)cc1 5006437 BIUABLGUEPZWMM-DTQAZKPQSA-N 322.364 2.797 50 40 DFGB CC(C)N1C(=O)/C(=N/NC(=O)C2CCCCC2)c2ccccc21 17877652 HEMXLFHFDGNZCD-KNTRCKAVSA-N 313.401 2.842 50 40 DFGB Cc1cc(NNC(=O)NCc2cccnc2)nc2ccccc12 8165362 VIPODSWBHBEBPJ-UHFFFAOYSA-N 307.357 2.765 50 40 DFGB O=C1ON=C(CCl)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 34926698 LDIXNKWKXODYHB-XBXARRHUSA-N 301.085 2.783 50 40 DFGB Cc1ccc(NC(=O)C(=O)N/N=C\c2cccc(F)c2)cc1C 223153501 OOHIBHBNGXYJSV-GRSHGNNSSA-N 313.332 2.531 50 40 DFGB C/C(CC(=O)NC1CCCCCC1)=N\NC(=O)c1ccco1 101546708 GFFTZFVKCSWIPE-LDADJPATSA-N 305.378 2.614 50 40 DFGB CCc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(CC)cc2)cc1 59386521 VQQBIEJZFBVECS-DEDYPNTBSA-N 323.396 2.900 50 40 DFGB O=C(CCl)NC[C@@H](c1ccccc1Cl)N1CCCC1 3423918 DUKNZWZOCCWAQU-ZDUSSCGKSA-N 301.217 2.832 50 40 DFGB C/C(=N/NC(=O)c1ccc(C)nc1)c1cc([N+](=O)[O-])cs1 4694170 UWKLIBPEJBHXEZ-DHDCSXOGSA-N 304.331 2.514 50 40 DFGB CC[C@@H](C(=O)NN)N1c2cc(OC)ccc2[C@H](C)CC1(C)C 260616216 HACBCOPRWPMZBL-RISCZKNCSA-N 305.422 2.556 50 40 DFGB O=C(CSc1cccc2cccnc12)N/N=C/c1cccnc1 264215 XNMJLYBOAQIMJK-RGVLZGJSSA-N 322.393 2.872 50 40 DFGB Cc1ccc(C(=O)NNC(=O)CNc2cccc(Cl)c2)cc1 241343 OEVJXNCVCTUHBL-UHFFFAOYSA-N 317.776 2.522 50 40 DFGB CC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408720150 UKLGIYXYIJAAMO-LICLKQGHSA-N 313.313 2.644 50 40 DFGB Cc1nc2sccn2c1[C@@H]1C(C#N)=C(N)Oc2cc(N)ccc21 18199196 UAEJOETYYWPCIB-ZDUSSCGKSA-N 323.381 2.505 50 40 DFGB O=C(CCl)Nc1c(Cl)cccc1COC(=O)CCl 141568264 DTQGEOWWVSUDIX-UHFFFAOYSA-N 310.564 2.799 50 40 DFGB in-vitro Cc1ccc(C)c(NC(=O)CCC(=O)N/N=C/c2cccnc2)c1 2132281 OJGFJYDPNXYJKR-UDWIEESQSA-N 324.384 2.567 50 40 DFGB C/C(=N/NC(=O)c1cccnc1)c1ccc(Br)cc1 13111646 VVKINSAQHIQASB-YVLHZVERSA-N 318.174 2.998 50 40 DFGB Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1 203553 OQZGUHBIQCWIPP-QGZVFWFLSA-N 306.321 2.942 50 40 DFGB C/C(CC(=O)NC(C)(C)C)=N\NC(=O)c1cccc(Cl)c1 100571736 DKISGNSLDMVXLH-VCHYOVAHSA-N 309.797 2.751 50 40 DFGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NNCc1ccccc1O 4279564 WFVUCDCBPLUQBY-LLVKDONJSA-N 320.776 2.634 50 40 DFGB COc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1O 270362 CCAGEWPXQVDZBB-KPKJPENVSA-N 314.366 2.686 50 40 DFGB Cc1cc(C)nc(NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)n1 14512488 ZYMILENDRICHLZ-LLVKDONJSA-N 320.780 2.657 50 40 DFGB COc1ccc(-n2cccc2/C=N/NC(=O)c2ccncc2)cc1 408953046 OCCBBOJIVMLDJQ-DEDYPNTBSA-N 320.352 2.645 50 40 DFGB COc1ccc(/C=N/NC(=O)Cn2ccc3ccccc32)cc1 14775580 XIRBJSMZOOOEII-XDHOZWIPSA-N 307.353 2.800 50 40 DFGB C[C@H](NC(=O)NNC(=O)c1ccccc1)c1ccccc1F 45127594 FLAKTPHIEPVRBX-NSHDSACASA-N 301.321 2.531 50 40 DFGB N#CC(C(=O)COC(=O)c1ccccc1)=C1Nc2ccccc2N1 2657714 ZJADKPXDJALBPW-UHFFFAOYSA-N 319.320 2.685 50 40 DFGB COC(=O)NNC(=O)c1sc2cc(OC)ccc2c1Cl 588375 GFKXEJPTOMRFEA-UHFFFAOYSA-N 314.750 2.564 50 40 DFGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cccn2C)c1 552401 CGTVHIWJSSLQQV-YBFXNURJSA-N 313.401 2.986 50 40 DFGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OC 66742 DABHSSCZWAQBMZ-QGZVFWFLSA-N 324.336 2.628 50 40 DFGB C1CN2CCC1[C@@]1(C2)SS[C@@]2(CN3CCC2CC3)S1 1601498 LANMSDDOLUOXBT-ZIAGYGMSSA-N 314.545 2.958 50 40 DFGB NNC(=O)c1cc(Cl)ccc1-c1cc2ccccc2oc1=O 216935878 BLTUKNBTLKMFGK-UHFFFAOYSA-N 314.728 2.717 50 40 DFGB O=C(Nc1ccc(OCCBr)cc1)C(F)(F)F 225586453 HNJCPVXPDMWPAH-UHFFFAOYSA-N 312.085 2.961 50 40 DFGB NNC(=O)CN1c2ccccc2Sc2ccc(Cl)cc21 1605237 BDCMPZZXFKMPBQ-UHFFFAOYSA-N 305.790 2.933 50 40 DFGB COc1cccc2[nH]c(C(=O)N/N=C/c3ccccc3O)cc12 2354333 VNQRWIXDCSLCJB-VCHYOVAHSA-N 309.325 2.646 50 40 DFGB N#C/C(=C\c1nn(-c2ccccc2)c(N)c1C#N)c1ccco1 4321994 YFOKYKOXQRCDFV-FMIVXFBMSA-N 301.309 2.983 50 40 DFGB CC(=O)N/N=C/c1cccn1-c1ccc(Br)cc1 27526939 MWIKSOLXVNUPDJ-OQLLNIDSSA-N 306.163 2.710 50 40 DFGB CC(C)(CBr)C(O)(Br)Br 78469949 HFRIZVDRQKQDRM-UHFFFAOYSA-N 324.838 2.843 50 40 DFGB O=C1O[C@H]2C[C@]34CCCC[C@@]3(C[C@@H]2I)[C@@H]14 104282059 PEFIJDLONBYQKX-XVPYXCLNSA-N 318.154 2.686 50 40 DFGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1c[nH]c2ccccc12 409139283 CCNIYNCMKSPWNR-KEBDBYFISA-N 321.336 2.589 50 40 DFGB CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OC 6614490 MQJAHLWNRPXPSC-GXDHUFHOSA-N 300.358 2.623 50 40 DFGB C[C@@H](Oc1ccccc1)C(=O)N/N=C/c1ccc(N(C)C)cc1 1449758 CEPTYZLDUHLMNU-NFECSFHCSA-N 311.385 2.670 50 40 DFGB CC1(C)[C@H]2CC[C@@]1(C)C(=O)/C2=C\NNC(=O)c1ccccc1O 104821651 XVSVGDUDXXFFJQ-BWCQXNQQSA-N 314.385 2.536 50 40 DFGB O=C1OC(=O)c2ccccc2/C1=C\Nc1cccnc1Cl 103481674 XDMJHBOBDLQKJK-DHZHZOJOSA-N 300.701 2.885 50 40 DFGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])o1 5784587 HRSUSJHRQFSVAN-SYBXUWECSA-N 303.318 2.790 50 40 DFGB C[C@H](Br)C(=O)NC1=C(C#N)[C@H]2CCC[C@@H]2S1 4872050 HWZYDWHXBXTAKG-OOZYFLPDSA-N 301.209 2.537 50 40 DFGB COc1ccc(CCC(=O)NN(C)c2ccccc2)cc1OC 3148794 KCDZEZJFLFEIGT-UHFFFAOYSA-N 314.385 2.804 50 40 DFGB biogenic CCOc1cc(C(=O)NN)ccc1OCc1ccc(Cl)cc1 216777628 GDXRFBLWPXWYGI-UHFFFAOYSA-N 320.776 2.921 50 40 DFGB O=C(CCl)N(Cc1ccc(Br)nc1)C1CC1 79421650 MQMPGSDORFKUJY-UHFFFAOYSA-N 303.587 2.574 50 40 DFGB N#CC1=C(N)N2CCSC2=C(C#N)[C@@H]1c1ccccc1Cl 205268 SYPMMJNKSFFYPF-CYBMUJFWSA-N 314.801 2.915 50 40 DFGB Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1ccccc1O 242798 XSIQQUWAUWSTQZ-GIJQJNRQSA-N 318.760 2.883 50 40 DFGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)cc1 481854 LHBYNQYBYJZWKB-CYBMUJFWSA-N 324.384 2.934 50 40 DFGB COc1ccc(/C=N\NC(=O)CC2(C)SCCS2)cc1 32116891 HTTHXCYZRWLHKH-GDNBJRDFSA-N 310.444 2.732 50 40 DFGB O=C(CCCCl)NC(=S)NC12CC3CC(CC(C3)C1)C2 6361301 IIGWDCKJERVXTN-UHFFFAOYSA-N 314.882 2.965 50 40 DFGB Cc1cc(C)nc(NNC(=O)Cc2ccc(-n3cccc3)cc2)n1 44913371 VOKXNJUSSAUMMX-UHFFFAOYSA-N 321.384 2.570 50 40 DFGB N#CC(C#N)=Cc1cc([N+](=O)[O-])ccc1Sc1ncccn1 409101536 YUAACJTVNIMTQX-UHFFFAOYSA-N 309.310 2.967 50 40 DFGB Cc1cc(C(=O)NN)cc(C)c1OC(=O)c1cccc(Cl)c1 256051623 JXMABBQNSXJGGB-UHFFFAOYSA-N 318.760 2.780 50 40 DFGB Cc1cc(OCC(=O)N/N=C/c2ccccc2O)ccc1Cl 566277 TYFPUXZPLNVHIB-GIJQJNRQSA-N 318.760 2.883 50 40 DFGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1ccncc1 9089151 OYKPAWSIQBRZMV-AWEZNQCLSA-N 315.336 2.690 50 40 DFGB Cc1cc(C)n(CC(=O)N/N=C(/c2ccc(F)cc2)C2CC2)n1 46095923 FABHVJXAHLXIPV-LVZFUZTISA-N 314.364 2.570 50 40 DFGB COc1ccc(NC2=NC[C@@H](CBr)S2)cc1 374455 NIJQQAVIUXAGIY-SNVBAGLBSA-N 301.209 2.973 50 40 DFGB O=C(CCC1CCCC1)NNC(=O)COc1ccccc1Cl 8348692 JVIMWLZPPAKOSW-UHFFFAOYSA-N 324.808 2.837 50 40 DFGB CN(C)N(C)P(N)(Cl)(c1ccccc1)c1ccccc1 104094925 KACLAWRVBZFZJB-UHFFFAOYSA-N 309.781 2.542 50 40 DFGB Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)c1cccnc1 4106763 WQADOKXORZRKRF-DEDYPNTBSA-N 308.385 2.754 50 40 DFGB CC(C)(C)c1[nH]nc2c1[C@H](c1ccc(O)cc1)C(C#N)=C(N)O2 4597236 DRKUIIKHUAINHR-GFCCVEGCSA-N 310.357 2.631 50 40 DFGB CCc1ccc(OCC(=O)N/N=C/c2ccc(F)cc2)cc1 486458 IZQHMWWXPLJWMN-YBFXNURJSA-N 300.333 2.917 50 40 DFGB CCOC(=O)/C(C#N)=C\c1cccn1-c1cccc([N+](=O)[O-])c1 4543807 JKZLPBUJLIGRGE-XFXZXTDPSA-N 311.297 2.856 50 40 DFGB COC(=O)[C@]1(CCCCl)CCCN1C(=O)OC(C)(C)C 3597219 JXSBVGITDYKWEC-AWEZNQCLSA-N 305.802 2.948 50 40 DFGB CC(=N\NC(=O)c1ccccc1)/C(C)=N/NC(=O)c1ccccc1 100956429 AYQQDKPKRPSTOL-IWGRKNQJSA-N 322.368 2.598 50 40 DFGB Cc1ccc(C)c(-c2cc(C(=O)NN)nn2-c2ccccc2)c1 59472475 PJVIPOZECVYNKV-UHFFFAOYSA-N 306.369 2.760 50 40 DFGB CCCCC[C@H]([C@@H](O)C#N)C(O)(C(F)(F)F)C(F)(F)F 73371857 XPNRJHDSUWETBF-SFYZADRCSA-N 307.234 2.923 50 40 DFGB CCN(C[C@H]1CCCN(C(=O)CCl)C1)C(=O)OC(C)(C)C 79390979 GDXMNCWKHFDWMQ-GFCCVEGCSA-N 318.845 2.721 50 40 DFGB CCOP(=O)(OCC)[C@H](SC#N)C(=O)N(CC)CC 2372210 HXAWJMNRQIYTLU-LLVKDONJSA-N 308.340 2.661 50 40 DFGB O=C(N/N=C/c1cccc2nccnc12)[C@H]1C[C@@H]1c1ccccc1 5528933 LEDFRWHVFSROBI-GTVPNBLNSA-N 316.364 2.884 50 40 DFGB CCOC(=O)NNC(=O)COc1ccc(Cl)c2ccccc12 14795088 MUTXJQLPFCYPRG-UHFFFAOYSA-N 322.748 2.649 50 40 DFGB N#C/C(=C\c1cnc2ccccn12)C(=O)NCc1ccccc1 96298490 LSKZRKXMEPVSFQ-XNTDXEJSSA-N 302.337 2.558 50 40 DFGB Cc1ccsc1C(=O)NNC(=O)Cc1c[nH]c2ccccc12 9513085 GPFCCQFEODBUTC-UHFFFAOYSA-N 313.382 2.542 50 40 DFGB COc1cc(C)c(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1C 409205102 LTDVOHKPUDGPDD-LRQZKABGSA-N 314.385 2.514 50 40 DFGB CC(=O)[C@@H]1CC(=NNC(N)=O)[C@@H](C)[C@@H](Cc2ccccc2)C1 245238816 BHPBRBNOQRVGTP-CQDKDKBSSA-N 301.390 2.505 50 40 DFGB O=C1OC(=O)c2cc([N+](=O)[O-])c(Br)c3cccc1c23 103216930 BCPUJMYCXASRIS-UHFFFAOYSA-N 322.070 2.821 50 40 DFGB CN1CCN(c2ccccc2NC(=O)C(C)(C)CCl)CC1 3128681 WJVPYGNNZFTKGI-UHFFFAOYSA-N 309.841 2.642 50 40 DFGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)OCC)cc1OC 82067943 JGVPHBKSMKXYIS-GHXNOFRVSA-N 319.744 2.831 50 40 DFGB COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2C=O)cc1 97940404 SFTAELYSGKUZDV-UHFFFAOYSA-N 301.254 2.635 50 40 DFGB OCC[C@@H](I)CC(F)(F)C(F)(F)F 91251937 SIPMDDLYRMRDMY-SCSAIBSYSA-N 318.023 2.760 50 40 DFGB Cc1[nH]nc2c1[C@H](c1cccc(C(F)(F)F)c1)C(C#N)=C(N)O2 494801 PRJVUQVUOPCRMV-GFCCVEGCSA-N 320.274 2.955 50 40 DFGB Cc1nc(C)c(C(=O)N/N=C/c2ccc(N(C)C)cc2)s1 3173616 TXSXVNWCUWYNNF-CXUHLZMHSA-N 302.403 2.590 50 40 DFGB O=C([C@H](Cl)c1ccccc1)N1CCN(c2ccccn2)CC1 5901820 ORGWGFOUYHOAAT-MRXNPFEDSA-N 315.804 2.710 50 40 DFGB COc1ccc(/C=C(/C#N)C(=O)N2CCC(C)CC2)cc1OC 27016100 HZSNLBXSPQOVEU-GDNBJRDFSA-N 314.385 2.869 50 40 DFGB O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccccc1Cl 37369927 SEBZEIAXPFIUKC-LZYBPNLTSA-N 319.704 2.718 50 40 DFGB CCN(CC)c1ccc(N2C[C@@H](C(=O)Cl)CC2=O)c(C)c1 57367112 FDECDCAREWPSSG-LBPRGKRZSA-N 308.809 2.960 50 40 DFGB Cn1c(/C=N/NC(=O)CC#N)ccc1-c1ccc(Cl)cc1 67299980 FUVIPKKHYRKIGM-VCHYOVAHSA-N 300.749 2.709 50 40 DFGB COc1ccc(NCC(=O)N/N=C2/CCCc3ccccc32)cc1 33329620 CNMLWSLWTXPCHO-UZYVYHOESA-N 323.396 2.964 50 40 DFGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OC 36174425 FJDONUIEHGACRE-YBFXNURJSA-N 316.332 2.997 50 40 DFGB COc1cc([N+](=O)[O-])cc(CCC(=O)Cl)c1OC(F)F 78406350 XGKKPUHVFNTYDH-UHFFFAOYSA-N 309.652 2.903 50 40 DFGB CC(=O)Nc1cccc(N/C=C2/C(=O)OC(=O)c3ccccc32)c1 101491733 YCFZYAKDVZXNHO-MHWRWJLKSA-N 322.320 2.795 50 40 DFGB O=C(OCCCCl)[C@H]1CC=CC[C@@H]1C(=O)OCCCCl 1698716 CRCHGHQKJASMAS-RYUDHWBXSA-N 323.216 2.913 50 40 DFGB O=C(N/N=C/C=C/c1ccccc1)[C@@H]1COc2ccccc2O1 4589500 CECPXHIJGHVSQP-IIAFCZBUSA-N 308.337 2.642 50 40 DFGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1 47044 GBMZRAHROINDEX-XNTDXEJSSA-N 307.309 2.818 50 40 DFGB CCOc1ccc(/C=N/NC(=O)c2ccccc2F)c(O)c1 135247 SZGYUZKMXIGXJO-VCHYOVAHSA-N 302.305 2.694 50 40 DFGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1O 6170672 OZXGIWMZSNUSIF-WQLSENKSSA-N 310.309 2.652 50 40 DFGB Cc1csc(/C(C#N)=C/c2ccccc2OCC(=O)O)n1 8207242 KPGYUXQIHCSPFT-WUXMJOGZSA-N 300.339 2.979 50 40 DFGB C/C(=N\NC(=O)c1cccc(Cl)c1)c1ccc(O)cc1O 5370389 CCQRJOXRYJFKDC-RQZCQDPDSA-N 304.733 2.905 50 40 DFGB CCS[C@@]1(c2ccccc2)OC(N)=C(C#N)C1=C(C#N)C#N 100249685 UVXOMJOPKFJVSG-MRXNPFEDSA-N 308.366 2.660 50 40 DFGB CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccco2)cc1 58892921 DOOLZPZLNRACJM-IQFISFIMSA-N 316.357 2.642 50 40 DFGB COCCN/C(SC)=C(\C#N)C(=O)c1ccc(Cl)cc1 100935894 ZOPXIENYRWCTIH-OWBHPGMISA-N 310.806 2.857 50 40 DFGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(O)c2)cc1 3570731 VEBQRVQNRJAYBC-UKTHLTGXSA-N 324.336 2.955 50 40 DFGB O=C(Cc1ccccc1)NNC(=O)c1ccc(Cl)cc1Cl 583870 SOGFNPYYRDKOIZ-UHFFFAOYSA-N 323.179 2.997 50 40 DFGB COC(=O)c1ccccc1C[N+](C)(CCCl)CCCl 1698606 CSFJQLAZWOEALP-UHFFFAOYSA-N 305.225 2.897 50 40 DFGB CCCN1C(=O)/C(=N/NC(=O)c2ccc(C)cc2)c2ccccc21 103346416 OANLMQOKYQHXFU-LVZFUZTISA-N 321.380 2.886 50 40 DFGB O=C(COc1ccc2c(c1)CCC2)NNc1ccc(F)cc1 45970102 AFBCJOCDTUUHLT-UHFFFAOYSA-N 300.333 2.837 50 40 DFGB COc1ccc(NC(=O)/C(C#N)=C/c2cccnc2)c(OC)c1 15933683 UCHINQUKAWFYOB-MDWZMJQESA-N 309.325 2.644 50 40 DFGB C/C(=N\NC(=O)COc1cc(C)cc(C)c1)c1ccc(N)cc1 516718 ZHIBQMXTJBEEGH-XSFVSMFZSA-N 311.385 2.805 50 40 DFGB CCCOc1ccc(/C=N/NC(=O)c2cc(C3CC3)n[nH]2)cc1 4135890 NAJZJMGSBRLAOQ-WOJGMQOQSA-N 312.373 2.840 50 40 DFGB COc1ccc(O)c(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)c1 16185347 GVUMEHUKXXFMQQ-NVFQBTRGSA-N 302.374 2.677 50 40 DFGB COc1ccc(/C(C)=N\NC(=O)c2cccc(F)c2)cc1OC 33285706 JQJOUASWLGIFRF-ODLFYWEKSA-N 316.332 2.997 50 40 DFGB CC(C)N(C(=O)OC(C)(C)C)C1CCN(C(=O)CCl)CC1 79408858 MQXJJQINMNVEDP-UHFFFAOYSA-N 318.845 2.862 50 40 DFGB CCCC(=O)Nc1ccc(N2C[C@H](C(=O)Cl)CC2=O)cc1 45953831 YNZFTZCTPFZJPM-SNVBAGLBSA-N 308.765 2.544 50 40 DFGB CN1CSC2=C(C#N)[C@@H](c3ccccc3Cl)CC(=O)N2C1 20533489 SINFAPXNUDLWPO-LLVKDONJSA-N 319.817 2.985 50 40 DFGB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccoc1)C(C#N)=C(N)O2 31807 IIWJUZGHRGNEQE-MRXNPFEDSA-N 318.336 2.992 50 40 DFGB CCOc1ccc(C(C)(C)C(=O)N/N=C/c2ccccn2)cc1 97269 ISKMCEFCVPAJLW-DEDYPNTBSA-N 311.385 2.908 50 40 DFGB COc1ccc(CC(=O)N/N=C\c2ccc(F)cc2)cc1OC 5514247 HXNFXVVTFFXKPE-ODLFYWEKSA-N 316.332 2.536 50 40 DFGB O=C(N/N=C\c1ccc(O)c([N+](=O)[O-])c1)Nc1ccc(F)cc1 408964810 SMIRYBUPYUPCJH-PXNMLYILSA-N 318.264 2.595 50 40 DFGB COc1ccc(OCC(=O)N/N=C\c2ccc(Cl)s2)cc1 408967178 QHICBWBAHGBOTF-PXNMLYILSA-N 324.789 2.939 50 40 DFGB COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC)ccc32)c1 34004523 WKLKYONGSSJYLW-QGZVFWFLSA-N 308.337 2.922 50 40 DFGB CC(C)c1ccc(/C=N\NC(=O)NNC(=O)c2ccccc2)cc1 104064873 BUOBIRDJFIGRGO-UNOMPAQXSA-N 324.384 2.788 50 40 DFGB O=C(C#Cc1ccccc1)[C@@H](Br)CBr 306510749 DMKKOCJMISJJIY-JTQLQIEISA-N 315.992 2.766 50 40 DFGB CC(C)N(C[C@H]1CCN(C(=O)CCl)C1)C(=O)OC(C)(C)C 79391001 XGHFHVPFEYSZPD-LBPRGKRZSA-N 318.845 2.719 50 40 DFGB O=C1CC2(CCN(C(=O)CCCl)CC2)Oc2ccccc21 4505484 MFMGSSQHLBZMNG-UHFFFAOYSA-N 307.777 2.642 50 40 DFGB COc1ccc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@]23C)c(OC)c1 100175412 ABXNPFIDBFQMEO-CYZOCEDXSA-N 316.401 2.980 50 40 DFGB N#C/C(=C/c1ccc(Sc2ccccc2)cc1)C(=O)NC(N)=O 409233511 KXBQJYQEGIRYQH-RAXLEYEMSA-N 323.377 2.940 50 40 DFGB O=C(CBr)Nc1ccc(OC[C@H]2CCCO2)cc1 35605035 LIDLXLBFDHWMNR-GFCCVEGCSA-N 314.179 2.578 50 40 DFGB CC(C)(C)OC(=O)NN[C@H](c1ccc(F)cc1)C1CCNCC1 228966485 FANBREFQRJSNMF-OAHLLOKOSA-N 323.412 2.896 50 40 DFGB Cc1cccc(/C=N/NC(=O)c2ccc(NC(=O)C(C)C)cc2)n1 59514884 JNQPTWMXWQKFDP-YBFXNURJSA-N 324.384 2.748 50 40 DFGB CCOc1ccc(C(=O)NN)cc1COc1ccc(Cl)cc1 224495599 LERMJZMPFUNVRQ-UHFFFAOYSA-N 320.776 2.921 50 40 DFGB C/C(=N/NC(=O)c1ccc(C)cc1)C1C(=O)c2ccccc2C1=O 100004593 GNDOBYUUADCSCP-NDENLUEZSA-N 320.348 2.796 50 40 DFGB Cc1ccc(C(=O)N/N=C/C=C/c2ccc3c(c2)OCO3)cn1 2339533 HZZZIKZKWHMFCE-FIFVVGQHSA-N 309.325 2.548 50 40 DFGB Cn1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 342578 GJKZPKJDAMSKJO-VCHYOVAHSA-N 322.324 2.850 50 40 DFGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)ccc1O 411782 FLIBYRYRIKKHCO-KRWDZBQOSA-N 323.352 2.591 50 40 DFGB C=CCNC(=S)NP(=O)(c1ccccc1)c1ccccc1 3188595 JKXQAVDPOHCLPP-UHFFFAOYSA-N 316.366 2.566 50 40 DFGB O=C1OC(=O)[C@@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]12 101959023 ZNVBZVTWIYFOBA-DGSCNEQVSA-N 310.736 2.944 50 40 DFGB O=C(NNC(=O)C1CC1)c1cc2cc3ccccc3nc2s1 1399198 XNNZOOLCYBWFTC-UHFFFAOYSA-N 311.366 2.621 50 40 DFGB COc1ccc(Br)cc1/C=C(\C#N)C(=O)NC1CC1 2769145 UYMAPNZQQAHOGS-UXBLZVDNSA-N 321.174 2.643 50 40 DFGB O=C(N/N=C/c1ccoc1)C(O)(c1ccccc1)c1ccccc1 2756518 LASXZXZQCJCURJ-DEDYPNTBSA-N 320.348 2.666 50 40 DFGB COc1ccccc1OCC(=O)N/N=C(\C)c1cccs1 4579558 COLOKTXEBCIFKX-LFIBNONCSA-N 304.371 2.676 50 40 DFGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OC(F)F 23217638 AOZOEKMMMLYNIL-XYOKQWHBSA-N 322.311 2.826 50 40 DFGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccccc2OCC#N)n1 408818417 OBYSYPJFFPNBBE-XNTDXEJSSA-N 306.325 2.650 50 40 DFGB CCc1ccc(CC(=O)N/N=C\c2ccc(O)c(OC)c2)cc1 409361349 COLFICFHPKTXBS-UNOMPAQXSA-N 312.369 2.656 50 40 DFGB CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](CCl)OC2=O 95951378 HDIPAMUFYCQYPQ-JTQLQIEISA-N 303.786 2.558 50 40 DFGB COc1cccc(NC(=O)/C(C#N)=C\c2ccc(C(=O)O)cc2)c1 44867247 UJZIAZUUGMMFGN-ZROIWOOFSA-N 322.320 2.939 50 40 DFGB C/C(=N/NC(=O)Cc1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 5968264 KBPGKRRKUVHMSB-AQTBWJFISA-N 311.341 2.986 50 40 DFGB O=C(O)c1ccc(-n2cccc2/C=N/NC(=O)c2ccco2)cc1 4747622 XSOGLZPBLPBYDU-WOJGMQOQSA-N 323.308 2.532 50 40 DFGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C\c1cccc([N+](=O)[O-])c1 408718533 VWLWWWJEAAZRFM-DUVDDBFMSA-N 301.346 2.871 50 40 DFGB COc1c(Cl)cc(/C=N/NC(C)=O)cc1Br 409017991 GXDSBLMIVNBXNZ-WLRTZDKTSA-N 305.559 2.581 50 40 DFGB C#CCOc1cccc(/C=C(\C#N)C(=O)n2nc(C)cc2C)c1 409380591 OBJNLTDHPSPVHM-MHWRWJLKSA-N 305.337 2.759 50 40 DFGB CC(C)(C)OC(=O)N(C1CC1)C1CCN(C(=O)CCl)CC1 79408944 ZIMNVIOJSAGKFD-UHFFFAOYSA-N 316.829 2.616 50 40 DFGB COc1ccc(OC)c(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)c1 227218965 NLJBFDQRIPHXFJ-CUKLWOHFSA-N 316.401 2.980 50 40 DFGB CO[C@](F)(Br)[C@H](Br)C(F)(F)F 8698392 PUPKPTWIRXQRGR-HRFVKAFMSA-N 303.875 2.977 50 40 DFGB C/C(=N/NC(=O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 16136632 YKVXQLGMIKNOEY-YVLHZVERSA-N 301.277 2.888 50 40 DFGB COC(=O)c1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1 30822112 RNAAFTJWDHAZJR-ZDLGFXPLSA-N 316.744 2.891 50 40 DFGB CCOC(=O)c1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1 408735609 UZHLNQCMZMYLQT-XNTDXEJSSA-N 324.336 2.680 50 40 DFGB CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)OC(=O)[C@@H]12 68572339 XBXLNFDKAGAPGL-BANKROOTSA-N 304.345 2.941 50 40 DFGB O=c1c2cc(OCCBr)ccc2nc2n1CCCC2 218787624 FMKZVAHFJMJRLL-UHFFFAOYSA-N 323.190 2.507 50 40 DFGB O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccco1 566191 RKHHPIORUVZRJL-OVCLIPMQSA-N 319.342 2.571 50 40 DFGB COc1ccc(C(=O)NN)cc1OCc1ccc(Cl)cc1 226319006 BUFOZXAODXCCCA-UHFFFAOYSA-N 306.749 2.531 50 40 DFGB COc1cc(N(CCCl)CCCl)cc(OC)c1OC 1667522 VFSOZYAVWBAGIY-UHFFFAOYSA-N 308.205 2.996 50 40 DFGB COc1ccc(S(=O)(=O)/C(C#N)=C/N2CCC(C)CC2)cc1 32025446 HOXGACRZEUKBBF-FOWTUZBSSA-N 320.414 2.566 50 40 DFGB Cc1cc(C(=O)NNC(=O)CCCOc2ccccc2)c(C)o1 5062751 FBQYHCFIWQCFCN-UHFFFAOYSA-N 316.357 2.517 50 40 DFGB O=C(Cc1cccc2ccccc12)NNC(=O)c1ccccc1O 5171947 WIGBKANCLSTORY-UHFFFAOYSA-N 320.348 2.549 50 40 DFGB COc1ccc([C@H]2NC(=O)NC(C(C)(C)C)=C2C#N)c(OC)c1 409368269 WEXKKTSXLUCYAY-CQSZACIVSA-N 315.373 2.881 50 40 DFGB COc1ccc(CC(=O)N/N=C/c2c[nH]c3ccccc23)cc1 585353 XQSIHPSCAJUNNT-UDWIEESQSA-N 307.353 2.869 50 40 DFGB O=C(CSc1ccccn1)N/N=C/c1cccc(Cl)c1 547860 JNVHIPHSZRVMNW-RQZCQDPDSA-N 305.790 2.977 50 40 DFGB CCCCC[C@H](O)CCC(=O)NNC1=CC(=O)CC(C)(C)C1 13544396 KALPNLSEETUKEC-AWEZNQCLSA-N 310.438 2.602 50 40 DFGB Cc1ccc(C(=O)/C(C#N)=C2/NC(=O)c3ccccc3N2)cc1 100284077 LYYKFPJATABGLJ-SAPNQHFASA-N 303.321 2.768 50 40 DFGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccccc1OCC#N 4544675 XSAPIRZWPQVADU-SRIPCCBOSA-N 311.385 2.865 50 40 DFGB COc1cc(OC)c(/C=N/NC(=O)c2cccnc2)cc1Cl 408589117 KQCWQFQTNFLDPB-GIJQJNRQSA-N 319.748 2.516 50 40 DFGB COc1ccc(O)c(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@@]23C)c1 4544670 GVUMEHUKXXFMQQ-XGTNODJJSA-N 302.374 2.677 50 40 DFGB Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1ccncc1 356218 GKKJCIYRCJYZHM-YBFXNURJSA-N 306.325 2.809 50 40 DFGB N#CCn1cc(/C=N\NC(=O)c2ccccc2O)c2ccccc21 107909422 JTKKEYHLWIVMLM-JAIQZWGSSA-N 318.336 2.634 50 40 DFGB N#C/C(=C\c1cccc(OCc2ccccc2C#N)c1)C(N)=O 96298400 HLVUBYWUVQQDIC-LZYBPNLTSA-N 303.321 2.530 50 40 DFGB CCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OC)cc2)C1=O 16806499 GRGHGPWRFFKPDV-GDNBJRDFSA-N 310.353 2.697 50 40 DFGB O=C(CCl)N(C[C@H]1CCCN1Cc1ccccc1)C1CC1 79393752 FBLQBRSRIMFCCQ-MRXNPFEDSA-N 306.837 2.881 50 40 DFGB Cc1cccc(OCCOc2ccccc2/C=C(/C#N)C(N)=O)c1 13940659 XDCIOMQXCSWZFS-VBKFSLOCSA-N 322.364 2.845 50 40 DFGB CC1CCN(C(=O)C(=O)N/N=C/c2cccc3ccccc23)CC1 3082571 DNGWFNGGUDVQKP-DEDYPNTBSA-N 323.396 2.548 50 40 DFGB C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1cccc(F)c1 23053572 UBJPOVVSOBAZQN-YDDPGSGASA-N 314.316 2.506 50 40 DFGB O=C(Cc1ccc(Cl)cc1)NNC(=S)Nc1ccccc1 6644200 GMPPSVLHWJAGFR-UHFFFAOYSA-N 319.817 2.900 50 40 DFGB COC(=O)N[C@H]1CC/C=C/CC[C@@H]1I 104152184 PYBGGNVEOFVCKL-JKRGSOBMSA-N 309.147 2.645 50 40 DFGB CC(/C=C/c1ccco1)=N\NC(=O)[C@H]1COc2ccccc2O1 13635632 IUJWBXOCIVRDJU-MHQCYJAZSA-N 312.325 2.625 50 40 DFGB COc1ccc(NC(=O)/C(C#N)=C\c2cccc(O)c2)cc1OC 6009338 MYWRGDNZAGJMDB-JYRVWZFOSA-N 324.336 2.955 50 40 DFGB CCOc1cccc(/C=N\NC(=O)c2ccc(F)cc2)c1O 13838211 PHJNHXCXYBFCLF-ZDLGFXPLSA-N 302.305 2.694 50 40 DFGB Cc1cccc(C)c1NC(=S)NNC(=O)c1ccccc1O 16238374 SABBCOVKORYPPE-UHFFFAOYSA-N 315.398 2.640 50 40 DFGB COCCCNC(=O)/C(C#N)=C/c1ccc(OC)c2ccccc12 44023913 HBNFYVIFSGSLBS-NTCAYCPXSA-N 324.380 2.908 50 40 DFGB CC1(C)CC(N2CCCC2)=C/C(=N/NC(=O)c2cccnc2)C1 39949332 RQGRKLXXMMAVRD-HKWRFOASSA-N 312.417 2.967 50 40 DFGB COc1ccc(OCC(=O)N/N=C/c2ccccc2Cl)cc1 580218 BUEFKVNUGCHORF-VCHYOVAHSA-N 318.760 2.878 50 40 DFGB CCCC(CCC)=NNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 15231227 ZKJDOBURXAXPIQ-UHFFFAOYSA-N 320.349 2.606 50 40 DFGB CCc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc1 3008963 RLJCQJORYIHIQD-XDHOZWIPSA-N 309.369 2.646 50 40 DFGB Cc1cc2c(cc1C)CN(CC(=O)N/N=C/c1ccccc1)C2 8336800 SYGDBOKVTBTBAJ-KEBDBYFISA-N 307.397 2.769 50 40 DFGB Cc1ccc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc1 3207303 RIKWXICAKHOTAB-YBFXNURJSA-N 309.369 2.701 50 40 DFGB CCOc1cccc(/C=N\NC(=O)c2ccc3c(c2)OCO3)c1 32704821 VVKQCNASXOUQQU-ZDLGFXPLSA-N 312.325 2.578 50 40 DFGB CS(=O)(=O)[C@@H](Cl)C(=O)c1ccc(Cl)cc1Cl 96517774 JFZTXKXMXMXIDG-SECBINFHSA-N 301.578 2.786 50 40 DFGB CC[C@H](Br)C(=O)c1ccc(O)c2[nH]c(=O)ccc12 196147026 XWOOUIQZGIEBND-VIFPVBQESA-N 310.147 2.590 50 40 DFGB C/C(=N/NC(=O)c1cccnc1)c1cccc(Br)c1 13686615 LRNJNTMTKNPYQY-YVLHZVERSA-N 318.174 2.998 50 40 DFGB CN(C)c1ccc(/C=N/NC(=O)Cn2ccc3ccccc32)cc1 4676642 NLYUFLSMFRHGJX-DEDYPNTBSA-N 320.396 2.858 50 40 DFGB Cc1ccc(F)c(S(=O)(=O)/C(C#N)=C2/CCCCCN2)c1 67340897 AELOJHUSAIPRGT-SQFISAMPSA-N 308.378 2.807 50 40 DFGB C[C@H]1CCc2sc(C(=O)NNC(=O)[C@@H]3CC=CCC3)cc2C1 15762275 COPCWKAZYVMJRF-NWDGAFQWSA-N 318.442 2.990 50 40 DFGB O=C(N/N=C1/CCn2cccc21)c1cc2ccccc2cc1O 84605759 UDPFDDJHGBUWIT-CYVLTUHYSA-N 305.337 2.885 50 40 DFGB O=C(N/N=C\c1ccc(N2CCCCC2)cc1)c1ccccn1 35467916 JPUJZDCOKVUJIW-ZHZULCJRSA-N 308.385 2.836 50 40 DFGB N#C/C(C(=O)Nc1cccnc1)=C1/C(=O)Nc2ccc(Cl)cc21 39556000 ACMCNYUCWALFQX-OWBHPGMISA-N 324.727 2.603 50 40 DFGB O=C(N/N=C\c1ccc2c(c1)OCO2)c1ccccc1Cl 32011022 YVIPTYQTDKOHBF-IUXPMGMMSA-N 302.717 2.833 50 40 DFGB ClCC(CCl)OC[C@@H]1CO[C@@H]([C@@H]2C[C@H]3C=C[C@H]2C3)O1 230316430 ZHMYUXWEIVWJPA-SAUGFPQOSA-N 307.217 2.803 50 40 DFGB C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 100030285 VWLWWWJEAAZRFM-XFUVHQQJSA-N 301.346 2.871 50 40 DFGB CCc1ccc(S(=O)(=O)N(CCCl)CCCl)cc1 1688707 HHIJSQDOWGQMHM-UHFFFAOYSA-N 310.246 2.717 50 40 DFGB CC(I)=CCI 1857793060 MTIFMNTZMLZREE-UHFFFAOYSA-N 307.900 2.760 50 40 DFGB CCOc1cccc(/C=N\NC(=O)Cc2cccs2)c1O 12412385 SOKQEJDPXHNEFB-YBEGLDIGSA-N 304.371 2.545 50 40 DFGB C/C(=N\NC(=O)c1ccc2c(c1)OCO2)[C@@H]1C[C@@H]2CC[C@@H]1C2 100545422 VJIXRXXKKDRDGL-QUXAWMFSSA-N 300.358 2.957 50 40 DFGB COc1ccc(/C=C(\C#N)C(=O)NC2CCCC2)c(OC)c1 4551143 FIRPQQFEVUNSOQ-UKTHLTGXSA-N 300.358 2.670 50 40 DFGB COc1ccc(NC(=S)NNC(=O)c2ccc(C)cc2)cc1 42083109 ZKFJTPCYYHQFCA-UHFFFAOYSA-N 315.398 2.635 50 40 DFGB Cc1ccc(C(C)C)c(OCC(=O)NNC2=CC(=O)CCC2)c1 5752103 AXVKIJGESKRRTN-UHFFFAOYSA-N 316.401 2.755 50 40 DFGB O=C1C[C@H]2C[C@H]1[C@H]1C[C@@H](Br)[C@@H](Br)[C@H]21 104132386 QTXRCFAWQJVHFE-VGTARLJDSA-N 308.013 2.758 50 40 DFGB CCCCCn1c(=O)c2ccccc2n2c(CCl)nnc12 2628560 GJBWWJWQHGCBCR-UHFFFAOYSA-N 304.781 2.973 50 40 DFGB CCN(C[C@@H]1CCCN(C(=O)CCl)C1)C(=O)OC(C)(C)C 79390978 GDXMNCWKHFDWMQ-LBPRGKRZSA-N 318.845 2.721 50 40 DFGB O=C(/C=C/NNC(=O)c1cccc(Cl)c1)c1ccccc1 59488939 ZWUAAQOLMGVRKI-MDZDMXLPSA-N 300.745 2.971 50 40 DFGB CO[C@@](F)(Br)[C@@H](Br)C(F)(F)F 8698393 PUPKPTWIRXQRGR-PWNYCUMCSA-N 303.875 2.977 50 40 DFGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC(N)=O)c2C)cc1 6966487 WWTFAELBEFJUJG-OQLLNIDSSA-N 322.368 2.504 50 40 DFGB O=C(NNC(=O)c1cccc(Cl)c1)c1cc(F)cc(F)c1 7795367 JHPAPAMUOJZCLF-UHFFFAOYSA-N 310.687 2.693 50 40 DFGB NNC(=O)Cc1cccc(-c2nc3cc(Cl)ccc3o2)c1 41127601 MKODPEHWRJQDKK-UHFFFAOYSA-N 301.733 2.681 50 40 DFGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c(OC)c1 7516646 RWAJQJYNIMSHRX-QGZVFWFLSA-N 324.336 2.628 50 40 DFGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc2ccccc2[nH]1 506321 KQNDKZFCHYAOJX-MRXNPFEDSA-N 305.337 2.983 50 40 DFGB COc1ccc(OCC(=O)N/N=C(\C)c2ccccc2F)cc1 8182500 IAUTWYZJZYTZJP-XDHOZWIPSA-N 316.332 2.754 50 40 DFGB N#C/C(=C\c1ccc([N+](=O)[O-])o1)S(=O)(=O)c1ccccc1 17031027 BVFXFLZKFVRRAJ-XYOKQWHBSA-N 304.283 2.526 50 40 DFGB CCCOc1cccc(C(=O)NNc2ncc(Cl)cn2)c1 72427700 UKVPHTYFHMAQMI-UHFFFAOYSA-N 306.753 2.676 50 40 DFGB CCOc1ccc2c(c1)C[C@H](CI)O2 218743132 PAZGDZRQIZPOEU-SNVBAGLBSA-N 304.127 2.824 50 40 DFGB CCc1nc(C)c(C(=O)NNc2ccccc2[N+](=O)[O-])s1 50535964 LDDCBOAENONDLO-UHFFFAOYSA-N 306.347 2.679 50 40 DFGB Cc1c(-c2ccccc2)n[nH]c1C(=O)N/N=C/c1cccnc1 264625 ZWCHWOHOXSQFOA-YBFXNURJSA-N 305.341 2.544 50 40 DFGB CC(C)c1ccc(/C=N/NC(=O)NNC(=O)c2ccccc2)cc1 1598022 BUOBIRDJFIGRGO-XDHOZWIPSA-N 324.384 2.788 50 40 DFGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccccc2O)cc1 104043677 WDUDGTSQBNVRND-YBFXNURJSA-N 311.341 2.505 50 40 DFGB O=C(CCCCl)NC(=S)Nc1cccc2nsnc12 4815226 VYAMVSXBJGWJTC-UHFFFAOYSA-N 314.823 2.523 50 40 DFGB Nc1nc(OCc2ccccc2)c2c(ncn2CCCCl)n1 30835759 PBJWWGMJJRAMSU-UHFFFAOYSA-N 317.780 2.616 50 40 DFGB CCc1cccc2c([C@@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)c[nH]c12 5817795 OSBDLMCGFDLRAH-HNNXBMFYSA-N 319.368 2.980 50 40 DFGB N#C/C(=C\c1ccccc1OCc1ccccn1)C(=O)NC1CC1 25198323 GEJKAYYYQVFWCQ-RVDMUPIBSA-N 319.364 2.846 50 40 DFGB O=[P@]1(N(CCCl)CCCl)NCCN1c1ccccc1 104194182 GDKZMZVXPIMGFA-IBGZPJMESA-N 322.176 2.984 50 40 DFGB CCc1cc(C(=O)NNC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cs1 102241495 REPSGWTWMZGFBL-GIPNMCIBSA-N 323.487 2.608 50 40 DFGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)N(C)C)c(OC)c1 59333604 GJKZARGBNXJQAY-UVTDQMKNSA-N 301.390 2.537 50 40 DFGB Cc1cc(C(=O)NN)cc(C)c1OC(=O)c1ccccc1Cl 256050054 CLSZBBXVZACVEH-UHFFFAOYSA-N 318.760 2.780 50 40 DFGB O=C(Cc1cccnc1)N/N=C/c1cccc(Br)c1 137933 KXJFKUMOHNBTMO-LICLKQGHSA-N 318.174 2.537 50 40 DFGB O=C(Cc1cccs1)N/N=C\C=C\c1ccc2c(c1)OCO2 4724444 WCORGBAVSQZZRG-IOULAPPISA-N 314.366 2.835 50 40 DFGB CC(C)(C)OC(=O)NNC(=O)c1ncoc1-c1ccccc1 95958347 LDSZDDHWCRFTDX-UHFFFAOYSA-N 303.318 2.511 50 40 DFGB CN(C)c1ccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)o1 223488372 KKNPNMRNRSUDJI-LICLKQGHSA-N 305.765 2.692 50 40 DFGB O=C(NNC(=O)c1cccc(-n2cccc2)c1)c1ccc(F)cc1 12528396 JSHPQHBIULBILH-UHFFFAOYSA-N 323.327 2.691 50 40 DFGB N#CC1=C(N)OC2=C(C(=O)OC2)[C@H]1c1c(Cl)cccc1Cl 4854560 RAGQDBQREMZGIK-SNVBAGLBSA-N 323.135 2.612 50 40 DFGB C=CCSC1=C(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)CC(=O)N1 9109288 BNYLZLPJHWEEES-GFCCVEGCSA-N 315.354 2.853 50 40 DFGB O=C(N/N=C\c1cc(Br)ccc1O)c1ccccc1 17175202 BBPGNLOAUFUFGE-SXGWCWSVSA-N 319.158 2.919 50 40 DFGB COc1cccc(/C=N\NC(=O)c2ccc(Cl)cc2)c1O 95938559 INRMSJMPYKFCBK-MFOYZWKCSA-N 304.733 2.818 50 40 DFGB CC(=N/NC(=O)c1ccccc1)/C(C)=N\NC(=O)c1ccccc1 104059427 AYQQDKPKRPSTOL-AXPXABNXSA-N 322.368 2.598 50 40 DFGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cccc(Cl)c1 108228046 FMWQLMDCTLBALL-YVLHZVERSA-N 317.732 2.941 50 40 DFGB O=C(N/N=C\c1cc(Br)cs1)c1cccnc1 4702575 PYADSVLKLMONCX-NSIKDUERSA-N 310.176 2.670 50 40 DFGB O=C1[C@H](Br)CCN1c1cccc(Br)c1 82606351 YHPLZPNTZCHOSS-SECBINFHSA-N 318.996 2.949 50 40 DFGB in-vitro CN(C)NC(=O)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 409002168 YLOWQQQYZYJGHQ-UHFFFAOYSA-N 320.356 2.862 50 40 DFGB CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2[C@H](C)C(=O)NN 260725461 WNQWNQWXSSVQSY-NWDGAFQWSA-N 305.422 2.556 50 40 DFGB COc1cc(OC)cc(C(=O)N/N=C\c2sccc2C)c1 33903379 OCRVQLACOOOORE-SXGWCWSVSA-N 304.371 2.838 50 40 DFGB N#CC1=C(N)SC(N)=C(C#N)C1c1ccccc1C(F)(F)F 33284684 IEZFPYLINBWXPK-UHFFFAOYSA-N 322.315 2.924 50 40 DFGB CCOc1ccc(C(=O)[C@H](Br)CC(=O)O)cc1 36644019 DJSQUBHGHKBGEM-SNVBAGLBSA-N 301.136 2.506 50 40 DFGB C/C(=N\NC(=O)NC[C@H]1CCCO1)c1cc(C)c(C)cc1C 98055377 DDTSYKPFCPNWJK-WBFOAEISSA-N 303.406 2.814 50 40 DFGB COc1ccc(/C=N/NC(=O)c2cccc(C)c2)cc1[N+](=O)[O-] 6216761 CFUFALAEBCVUCE-LICLKQGHSA-N 313.313 2.676 50 40 DFGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2OC)ccc1O 33324115 LPRNSXCFKIPQAJ-LCYFTJDESA-N 324.336 2.955 50 40 DFGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(F)cc1F 5945582 CUWBFZGKWIUUQV-OAHLLOKOSA-N 300.264 2.889 50 40 DFGB COc1ccc(OC)c(/C=C(/C#N)C(=O)NC2CCCC2)c1 7065812 GAWCHLKKGUSUKA-LCYFTJDESA-N 300.358 2.670 50 40 DFGB CC(=O)NC1CCC(/C=C(/C#N)C2CCC([N+](=O)[O-])CC2)CC1 17023084 XWTSVZPWHNLIIA-GDNBJRDFSA-N 319.405 2.967 50 40 DFGB O=C(N/N=C/c1ccc(N2CCCC2)o1)c1cccc(F)c1 59138210 YMSRDPBJQHTHHT-WOJGMQOQSA-N 301.321 2.783 50 40 DFGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)NCC 408815603 IECMISCBHXQMTG-NTCAYCPXSA-N 304.349 2.895 50 40 DFGB NNC(=O)c1ccccc1Nc1ccc(Br)cc1 1555713 GVQPQUZWRLTQFO-UHFFFAOYSA-N 306.163 2.796 50 40 DFGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(C(=O)O)cc1 4724588 SSMQDRBHICLMCW-VCHYOVAHSA-N 316.744 2.731 50 40 DFGB COCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)o1 32752074 GYZCWGHMYHPOJB-JLHYYAGUSA-N 314.316 2.755 50 40 DFGB CCN(Cc1ccccc1)C[C@@H]1CCCN(C(=O)CCl)C1 79414923 WTEQNYWOAGDAOD-INIZCTEOSA-N 308.853 2.986 50 40 DFGB CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C\NNC(=O)c1ccccc1O 16578201 XVSVGDUDXXFFJQ-HNJBDOAZSA-N 314.385 2.536 50 40 DFGB O=C(N/N=C(/Cc1ncc[nH]1)c1ccccc1)c1cccs1 33576196 YDYKZHYPLCFUKW-UYRXBGFRSA-N 310.382 2.848 50 40 DFGB CCO[C@@]1(c2ccccc2)C[C@@H]1C(=O)N/N=C/c1ccc(C)o1 4520488 FRNHVSHWPZLNOZ-MFYXZRBDSA-N 312.369 2.990 50 40 DFGB C#CCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 4574883 IXXHJWWVPPFBNK-KRWDZBQOSA-N 320.348 2.513 50 40 DFGB Cc1ccc(C)c(CC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)c1 409359926 CMNIJQZJSAJAJS-WQRHYEAKSA-N 311.341 2.904 50 40 DFGB Cc1ccc(-c2cc(C(=O)NN)nn2-c2cccc(C)c2)cc1 408727391 WHQUGWDNIANDCC-UHFFFAOYSA-N 306.369 2.760 50 40 DFGB COCCCNC(=O)/C(C#N)=C/c1ccc(Br)cc1 6428940 UUJFEFKNOGWPEV-FMIVXFBMSA-N 323.190 2.509 50 40 DFGB C/C(=N\N(C=O)c1ccc(C(=O)O)cc1)C(=O)c1ccccc1 5865628 GQALTOPEZSMFCB-LDADJPATSA-N 310.309 2.606 50 40 DFGB COC(=O)N[C@H](c1ccccc1)[C@H](C)I 1712349 YTSCPHGNOGQPJV-WPRPVWTQSA-N 319.142 2.907 50 40 DFGB C/C(=N\NC(=O)[C@H]1[C@H]2CCCC[C@]12C)c1ccc(O)cc1O 100177067 UWZUWLWVQGMCKJ-VLYGHPRLSA-N 302.374 2.764 50 40 DFGB COc1ccc(OC)c([C@@H]2NC(=O)NC(C(C)(C)C)=C2C#N)c1 409367678 DHRPYRRXCLJKER-AWEZNQCLSA-N 315.373 2.881 50 40 DFGB CCc1ccc(CC(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)cc1 409365663 VPDFEHGHPFOFTR-PDGQHHTCSA-N 311.341 2.850 50 40 DFGB COc1ccc(/C(C)=N/NC(=O)c2ccc(OC)cc2O)cc1 409392369 PKLQKOGDBBMPMQ-WOJGMQOQSA-N 314.341 2.563 50 40 DFGB Cc1ccsc1/C=N\NC(=O)Cc1ccccc1[N+](=O)[O-] 33500386 IGSZVUWCUSNOFV-DHDCSXOGSA-N 303.343 2.658 50 40 DFGB O=C1Nc2ccccc2/C1=N/NC(=O)c1cc2ccccc2o1 5777120 VVNHDLQONKCJSP-UHFFFAOYSA-N 305.293 2.519 50 40 DFGB C/C(=N\NC(=O)c1ccccc1O)c1ccc(-n2ccnc2)cc1 6651302 PBLDZHVINQELAT-DEDYPNTBSA-N 320.352 2.732 50 40 DFGB CCc1ccc(CC(=O)N/N=C\c2ccccc2[N+](=O)[O-])cc1 409365647 VKUCYERRXZXZPI-PDGQHHTCSA-N 311.341 2.850 50 40 DFGB C[C@@H](Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 5027135 NSOOOLMAXULEFE-RXMQYKEDSA-N 307.531 2.923 50 40 DFGB Cc1cc(/C=N/NC(=O)c2cccc(N(C)C)c2)cc(C)c1O 6390109 LLVRVPHFKSHTTB-YBFXNURJSA-N 311.385 2.839 50 40 DFGB [C-]#[N+][C@@H](CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C)cc1 165815516 IBDYNNWRGLGAGR-CYBMUJFWSA-N 309.387 2.746 50 40 DFGB N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccc(F)cc1)OCO3 78546994 XBZBJZKYFJMYMI-INIZCTEOSA-N 310.284 2.773 50 40 DFGB O=C(Cc1c[nH]c2ccccc12)N/N=C/c1ccccc1C(=O)O 44867399 MRRLJAXJXAUJMB-RGVLZGJSSA-N 321.336 2.559 50 40 DFGB CCC(=O)NNC(=O)Nc1cc(CSC)ccc1Cl 95939130 OLJMSBGSQNWIOW-UHFFFAOYSA-N 301.799 2.766 50 40 DFGB Cc1cc(C(=O)N/N=C/c2ccc(N(C)C)o2)c2ccccc2n1 2768446 FQNYYAJFMAGABB-YBFXNURJSA-N 322.368 2.966 50 40 DFGB CCc1ccc(OCC(=O)N/N=C/c2ccc(OC)cc2)cc1 5247982 JIWRZRVJFBOJHO-XDHOZWIPSA-N 312.369 2.787 50 40 DFGB COc1ccc(C(=O)N/N=C/c2ccco2)cc1Br 70233 XZFBALMPNLDPEX-OVCLIPMQSA-N 323.146 2.815 50 40 DFGB O=C(NNC(=O)c1ccccc1)N[C@H]1CCCc2ccccc21 45128121 VDKNCJHGAPTJFD-INIZCTEOSA-N 309.369 2.708 50 40 DFGB O=C(CCl)N[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 79392632 MUMYDKYDNWFAFS-KGLIPLIRSA-N 324.808 2.579 50 40 DFGB O=C1c2ccccc2C(=O)N1c1ccnc(CBr)c1 95635390 VDHVYRCWXKSADK-UHFFFAOYSA-N 317.142 2.777 50 40 DFGB CC(C)[C@H](Br)C(=O)N1CCC[C@@H](c2cn[nH]c2)C1 96515835 LYFSBRSCYSHZKF-PWSUYJOCSA-N 314.227 2.535 50 40 DFGB C[C@H](Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 5027134 NSOOOLMAXULEFE-YFKPBYRVSA-N 307.531 2.923 50 40 DFGB COC[C@@H](C)Oc1ccc2nc(NC(=O)CCl)sc2c1 20131851 PSDVDZUDURFBFR-MRVPVSSYSA-N 314.794 2.887 50 40 DFGB COc1cc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)ccc1C 58962 JMLJVYXVOHBBLD-DAQNXSASSA-N 312.369 2.841 50 40 DFGB O=C(O)CCOc1ccccc1N(CCCl)CCCl 1675160 HPLYMGFTQAKXEO-UHFFFAOYSA-N 306.189 2.824 50 40 DFGB CCOC(=O)C1=C(C)OC(O)=C(C#N)[C@@H]1c1ccc(OC)cc1 6891661 OEEVHSSFYNAGRT-HNNXBMFYSA-N 315.325 2.939 50 40 DFGB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N/N=C/c1ccccc1 33737956 RFMZNTRPHGLEQN-NNIWKIFQSA-N 323.396 2.591 50 40 DFGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(F)cc2)cc1C 3072727 BVCXQSYTPVMRBG-VXLYETTFSA-N 313.332 2.531 50 40 DFGB COc1ccc(/C(C)=N\NC(=O)c2ccc(F)cc2)cc1OC 4702596 PPFADJJBTLAVGS-ODLFYWEKSA-N 316.332 2.997 50 40 DFGB C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c1 8845680 FGCLZODLXTUBFR-OAHLLOKOSA-N 308.341 2.501 50 40 DFGB CC[C@@H](C)n1nccc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 253398750 HKHRCBUNFOBBQI-BMIGLBTASA-N 312.373 2.669 50 40 DFGB COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1O 16411640 OVIUISADBIFGED-LFIBNONCSA-N 322.364 2.667 50 40 DFGB O=C(N/N=C/c1ccncc1)c1ccc(Br)s1 8525318 LKWPLRNUINZWET-VGOFMYFVSA-N 310.176 2.670 50 40 DFGB O=C(/C=C/c1cccc(F)c1)NNC(=O)c1cccc(Cl)c1 3398692 KRVQGKFUWIUFIO-BQYQJAHWSA-N 318.735 2.954 50 40 DFGB CC[C@@H](Br)C(=O)Nc1nnc(CC(C)C)s1 12016221 ZKWTZEQPPJJPDV-SSDOTTSWSA-N 306.229 2.849 50 40 DFGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NN=Cc1ccncc1 16322370 VQTDQYGVZQXHLG-LLVKDONJSA-N 303.749 2.653 50 40 DFGB COc1ccc(/C=C(\C#N)C(N)=O)c(OCc2ccccc2)c1 408865888 FEDDTNSHZJXZGW-OQLLNIDSSA-N 308.337 2.666 50 40 DFGB COc1ccc(/C=C(/C#N)C(=O)c2ccc3c(c2)OCO3)cc1O 44028764 YWHWBDMAWQIGOR-MLPAPPSSSA-N 323.304 2.919 50 40 DFGB O=C(N/N=C/c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 246036 RWPBLZCRDXPAKO-CAOOACKPSA-N 302.717 2.833 50 40 DFGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)c(Cl)c1 1738061 QVCHUYQXTXEIGL-VCHYOVAHSA-N 317.776 2.876 50 40 DFGB C#CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1 408920895 LLTYEVWPDSQHBW-RVDMUPIBSA-N 306.321 2.515 50 40 DFGB CC(C)CC(=O)NNC(=O)c1cc(F)c(Cl)cc1Cl 10160809 GCCASXUECCGLBK-UHFFFAOYSA-N 307.152 2.940 50 40 DFGB Cc1ccc(NC(=O)OCCI)cc1 2334074 VUJQVGSFKGWFHF-UHFFFAOYSA-N 305.115 2.979 50 40 DFGB CC1(CC(=O)N/N=C\c2ccc(C#N)cc2)SCCS1 32116888 PVMSAXMFUMTIEA-YBEGLDIGSA-N 305.428 2.595 50 40 DFGB COc1cccc2cc(C(=O)N/N=C/c3ccc(O)cc3)oc12 408974374 YMXHLROYCZEVKJ-VCHYOVAHSA-N 310.309 2.911 50 40 DFGB O=C(N/N=C/c1ccc(F)s1)c1cc(-c2ccco2)on1 252478606 AQHMLTWQRXHDNR-VIZOYTHASA-N 305.290 2.899 50 40 DFGB N#C/C(=C\c1cccnc1)C(=O)NCCc1c[nH]c2ccccc12 564224 LFJWBRRRCFACHI-MHWRWJLKSA-N 316.364 2.829 50 40 DFGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1 14003066 QYBGWBNKFLBGOY-LICLKQGHSA-N 317.732 2.941 50 40 DFGB Cc1cc(C)nc(SCC(=O)N/N=C/C=C/c2ccco2)n1 8336638 ZNRHJXYJHDZOCZ-FWPHUCDGSA-N 316.386 2.594 50 40 DFGB CCCC1=C(C(=O)OCC)[C@H](c2ccncc2)C(C#N)=C(N)O1 2493371 PSMSNTXENJIYNO-CQSZACIVSA-N 313.357 2.507 50 40 DFGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C2/CCCN2)s1 3263813 JUDMUMWSUNWREY-UHFFFAOYSA-N 302.403 2.582 50 40 DFGB O=C(Cc1ccccc1)N/N=C/C=C/c1cccc([N+](=O)[O-])c1 2329531 FMZPJYPEVDSIBY-XOCAJXSXSA-N 309.325 2.953 50 40 DFGB NCc1ccc(C(=O)N/N=C/c2ccc(OC(F)F)cc2)cc1 2630317 JNXOEIGPKDQTLC-KEBDBYFISA-N 319.311 2.511 50 40 DFGB Cc1cc2c(cc1/C=C(\C#N)C(=O)NCc1ccccc1)OCO2 408979689 CREAWURRRVDFKQ-LZYBPNLTSA-N 320.348 2.947 50 40 DFGB Cc1ccc(CC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)c(C)c1 216045741 HWHGRWQESQEJND-WQRHYEAKSA-N 311.341 2.904 50 40 DFGB CNC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)c(OC)c1 40161164 NWVXTNSMZNSNIU-YBEGLDIGSA-N 322.364 2.927 50 40 DFGB C/C(=N\N(C=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 5865616 OEKPEIWOUIOGDX-SFQUDFHCSA-N 311.297 2.816 50 40 DFGB CCc1ccc(C(=O)Oc2c(C)cc(C(=O)NN)cc2C)cc1 256054362 VZMKFWYZZVGYGW-UHFFFAOYSA-N 312.369 2.689 50 40 DFGB CCn1cc(Cl)c(C(=O)N/N=C/c2ccc(F)s2)n1 252500038 SMGCMBRWPHURHE-LHHJGKSTSA-N 300.746 2.521 50 40 DFGB O=C1C[C@@H]2C[C@H]1[C@H]1C[C@@H](Br)[C@@H](Br)[C@H]21 5085449 QTXRCFAWQJVHFE-BBBMILAYSA-N 308.013 2.758 50 40 DFGB Cc1n[nH]c(C)c1NC(=O)c1ccccc1NC(=O)CCCl 14404781 NJJHBHUBOVPGGK-UHFFFAOYSA-N 320.780 2.846 50 40 DFGB COc1cc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)CCC3)ccc1O 3100934 CSLXBXLQRSQOFP-QGZVFWFLSA-N 310.353 2.892 50 40 DFGB C/C(=N\NC(=O)[C@H]1[C@@H]2CCCC[C@@]21C)c1ccc(O)cc1O 9762306 UWZUWLWVQGMCKJ-JIXJXQKQSA-N 302.374 2.764 50 40 DFGB Cc1ccsc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1 59435549 FOSWGWIVNUKXIR-LZYBPNLTSA-N 321.789 2.799 50 40 DFGB CC(C)Cc1ccc(C(=O)NN)n1Cc1ccc(Cl)cc1 226023475 WJJXDRBHLVYRIQ-UHFFFAOYSA-N 305.809 2.992 50 40 DFGB CCOc1cc(/C=N/NC(=O)c2ccco2)cc(Cl)c1O 8043525 QAHWETDVSYOAHP-LZYBPNLTSA-N 308.721 2.801 50 40 DFGB CCN(NC(=O)Cc1n[nH]c2ccccc12)c1ccc(C)cc1 50553838 GRNFAVWUSPCYFF-UHFFFAOYSA-N 308.385 2.972 50 40 DFGB CCOC(=O)c1c(NC(=O)CBr)sc(C)c1C 1717089 SDLFSGNSCBMXPC-UHFFFAOYSA-N 320.208 2.875 50 40 DFGB COc1cc(-c2ccccc2)sc1C(=O)NNC(=O)C1CC1 48185164 XERVUGCUTRXMTC-UHFFFAOYSA-N 316.382 2.595 50 40 DFGB C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c1 8845679 FGCLZODLXTUBFR-HNNXBMFYSA-N 308.341 2.501 50 40 DFGB Cc1nc2onc(NC(=O)CBr)c2c(C)c1Cl 35326785 BNYOAQLBBSTMFO-UHFFFAOYSA-N 318.558 2.826 50 40 DFGB CCc1n[nH]c(Sc2ccc([N+](=O)[O-])cc2C(=O)Cl)n1 70462570 NIDOSDVINVDGPJ-UHFFFAOYSA-N 312.738 2.806 50 40 DFGB CN1CCN(c2ccc(NC(=O)C(C)(C)CCl)cc2)CC1 3116714 QVJJMXDNDHJIAR-UHFFFAOYSA-N 309.841 2.642 50 40 DFGB Cc1ccc(C(=O)NNC(=O)c2cc(C)nc3ccccc23)cc1 2639417 OGTWPFBGTGCROE-UHFFFAOYSA-N 319.364 2.926 50 40 DFGB C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc2c(c1)OCO2 5696445 XHFPXMRXVKQFDV-YWXHPEBPSA-N 300.358 2.692 50 40 DFGB CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1ccccc1 7782038 ZVQVKKCYEQQHJE-DEDYPNTBSA-N 323.396 2.900 50 40 DFGB CC(C)c1ccc(C(=O)NNC(=O)CNc2ccccc2)cc1 12534181 FQEQBDPDNKMALM-UHFFFAOYSA-N 311.385 2.683 50 40 DFGB CN(C)NC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 12567019 DKKATZZCZGABCH-UHFFFAOYSA-N 312.398 2.807 50 40 DFGB Cc1cc(C(=O)NNC(=O)[C@H]2C[C@@H]2C)c(C)n1-c1ccccc1 7738041 VGKWZJFZHJXQAW-NHYWBVRUSA-N 311.385 2.511 50 40 DFGB Cc1cc(CNC(=O)/C(C#N)=C\c2ccco2)ccc1N(C)C 71896279 NCFQSDKRYMDIRN-GDNBJRDFSA-N 309.369 2.877 50 40 DFGB CSc1ncccc1C(=O)NNC(=O)c1cccc(Cl)c1 515923 UVIDTHRUDZWFRU-UHFFFAOYSA-N 321.789 2.532 50 40 DFGB O=C(N/N=C/c1ccc(Cl)s1)[C@@H]1COc2ccccc2O1 34036 PTRDIWDLECIHKN-QFULYMJESA-N 322.773 2.692 50 40 DFGB N#C/C(=C\c1cccc(OCCOc2ccccc2)c1)C(N)=O 9434800 VVRCBMLVOYYVIL-RVDMUPIBSA-N 308.337 2.537 50 40 DFGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccccc1[N+](=O)[O-] 222983 CBQJOMYNLALQQD-LICLKQGHSA-N 317.732 2.941 50 40 DFGB COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)ccc1O 573891 SQCIGYGFDMYWJW-VCHYOVAHSA-N 310.309 2.911 50 40 DFGB Nc1ccc(C(=O)N/N=C\C=C\c2ccc([N+](=O)[O-])cc2)cc1 4893887 YJMAHRUPDWNSHG-BKXTUGJOSA-N 310.313 2.606 50 40 DFGB O=C(N/N=C\c1cccn1-c1ccccc1)c1ccccc1O 33363895 LHJAXOSMUUWHDE-UYRXBGFRSA-N 305.337 2.947 50 40 DFGB CCn1ncc(/C=N/NC(=O)CSc2ccc(C)cc2)c1F 252478473 ANAYOAOAPFTVGY-CAOOACKPSA-N 320.393 2.593 50 40 DFGB O=C(C[n+]1ccccc1)N/N=C/c1ccc(-c2ccccc2)cc1 2705274 AGBVZBFFSQCVHW-RCCKNPSSSA-O 316.384 2.791 50 40 DFGB CCC(=O)Nc1ccc(/C(C)=N/NC(=O)c2cccnc2)cc1 5207187 OLDBMLHJBZMBQY-UDWIEESQSA-N 310.357 2.584 50 40 DFGB N#CC1=C(SCc2ccccc2Cl)N=C(O)[C@H](C(N)=O)C1 17028412 QQYJFXUUQQFTNZ-JTQLQIEISA-N 321.789 2.770 50 40 DFGB CCOc1cc(/C=N\NC(=O)Cc2cccs2)ccc1O 32576905 JGCWISKBEPTXMW-YBEGLDIGSA-N 304.371 2.545 50 40 DFGB CCOc1ccc(NC(=O)[C@H](C)I)cc1 72226326 BNVNKDWASITHKC-QMMMGPOBSA-N 319.142 2.847 50 40 DFGB CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2[C@H](C)C(=O)NN 260725462 WNQWNQWXSSVQSY-VXGBXAGGSA-N 305.422 2.556 50 40 DFGB CC(C)(C)OC(=O)N1CCC[C@H]1CI 42750770 QCETXLFSWJGTAZ-QMMMGPOBSA-N 311.163 2.821 50 40 DFGB O=C(CSc1ccc2ccccc2c1)NNc1ncccn1 46577172 JVAALGZOXCSDIF-UHFFFAOYSA-N 310.382 2.865 50 40 DFGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cc(Cl)ccc1O 4156354 JCQGPUSPTUWJAW-LZYBPNLTSA-N 319.704 2.718 50 40 DFGB O=C1C=C(NNC(=O)Cc2ccccc2)C[C@@H](c2ccccc2)C1 4599794 TZQPQVXSAHQNTR-QGZVFWFLSA-N 320.392 2.881 50 40 DFGB CN(C(=O)CCl)c1cccc2c1C(=O)c1ccccc1C2=O 15081302 BFFXHWBCDAGZSY-UHFFFAOYSA-N 313.740 2.664 50 40 DFGB C/C(=N\NC(=O)c1ccc(O)cc1)c1cn(C(C)(C)C)nc1C 98055308 HWANFUUSOOSSTI-WOJGMQOQSA-N 314.389 2.806 50 40 DFGB Cc1ccccc1C(=O)NNC1=C(C(=O)C(F)(F)F)CCC1 4826486 CXQFDGVGZYYMEE-UHFFFAOYSA-N 312.291 2.799 50 40 DFGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc3c(cc2C)OCO3)n1 408984481 HPRIFISYAZLZIJ-MKMNVTDBSA-N 309.325 2.784 50 40 DFGB O=C(N/N=C/c1ccc(F)c(Br)c1)c1ccncc1 251378 SVAXXQSJMVWPCT-CAOOACKPSA-N 322.137 2.747 50 40 DFGB CN(C)Cc1cccc(CCNC(=O)/C(C#N)=C\c2ccco2)c1 71896222 WPBGCUGWCCSYPK-ATVHPVEESA-N 323.396 2.607 50 40 DFGB COc1ccc(/C=N\NC(=O)c2ccc(F)cc2)cc1OC 33296492 DXLASTUWIPGXCQ-ZDLGFXPLSA-N 302.305 2.607 50 40 DFGB CCOC(=O)c1cn(CCCCl)c2cc(F)ccc2c1=O 199731562 IESGEFVJDVAUOA-UHFFFAOYSA-N 311.740 2.946 50 40 DFGB C#CCOc1cccc(/C=N/NC(=O)CCc2ccccc2)c1 14134447 ZNYICTMFQVUELP-HMMYKYKNSA-N 306.365 2.782 50 40 DFGB CCn1c(/C=N/NC(=O)Cc2ccccc2)nc2ccccc21 100859462 BPVVAIJTLWUSEC-CPNJWEJPSA-N 306.369 2.749 50 40 DFGB NC(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 501557 DAYPTSLIYRYYMM-VIZOYTHASA-N 308.135 2.711 50 40 DFGB Cc1ccc2c(CC(=O)NNC(=O)c3ccccc3)coc2c1 3456467 PZXLCACLWROUDB-UHFFFAOYSA-N 308.337 2.745 50 40 DFGB Cc1cc(OCC(=O)N/N=C/c2ccncc2)ccc1Cl 8183376 YBGMDGQUXUIWOB-GIJQJNRQSA-N 303.749 2.573 50 40 DFGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1O 409232675 BEYVXPRSVMRPLH-ODLFYWEKSA-N 316.332 2.623 50 40 DFGB N#C/C(=C/c1ccc(OCC(N)=O)cc1)c1ccc([N+](=O)[O-])cc1 409238402 ZLZMGSNCPJPGML-ZROIWOOFSA-N 323.308 2.523 50 40 DFGB CCOc1ccc(N[C@@H]2SC(=O)N(CCCl)C2=O)cc1 36626573 NLSXDWOIRCUITA-LLVKDONJSA-N 314.794 2.758 50 40 DFGB O=C(/C=C/c1ccc(Cl)cc1)NNC(=O)c1cccs1 569156 GNZSMMKSZMWTLU-VMPITWQZSA-N 306.774 2.876 50 40 DFGB O=C(CN1CCCC1)NN(Cc1ccccc1)c1ccccc1 333867 KYGWBHUGCIXZRM-UHFFFAOYSA-N 309.413 2.820 50 40 DFGB CC(C)(C)C(=O)N[C@H]1CCCC[C@@H]1I 1720149 SGNUQPHCBJCFJK-IUCAKERBSA-N 309.191 2.895 50 40 DFGB N#C/C(=C\c1ccc(C(=O)O)cc1)C(=O)c1ccc2c(c1)OCO2 44028921 IALNFHVZDQYUKH-VGOFMYFVSA-N 321.288 2.903 50 40 DFGB CC(C)=NNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 58885709 GMUQMIOBHPLDGY-UHFFFAOYSA-N 321.686 2.809 50 40 DFGB CC(C)(C)OC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1 17398482 OXCFIOICLTWCDH-UHFFFAOYSA-N 304.268 2.875 50 40 DFGB C/C(=N\NC(=O)CC1(C)SCCS1)c1ccc(O)cc1 409264318 DMFIQQXVMVYNPI-XNTDXEJSSA-N 310.444 2.819 50 40 DFGB COc1ccc(/C(C)=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1 4587769 FRSSACIZHKFINE-GZTJUZNOSA-N 313.313 2.757 50 40 DFGB COc1ccc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)cc1 59720963 KBISPDWAIOYCER-RGVLZGJSSA-N 311.385 2.874 50 40 DFGB COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)ccc1O 105178710 QXRPAXQHBHNUDQ-WWEYPGKVSA-N 302.374 2.677 50 40 DFGB O=C(NNc1ccccc1)Nc1cccc(N2CCOC2=O)c1 65609993 CLXUQOKOOGCCJT-UHFFFAOYSA-N 312.329 2.792 50 40 DFGB O=C(N/N=C(\c1ccccc1)c1cccnc1)c1ccc(O)cc1 5680314 JQOWUPBSNGBIBI-DYTRJAOYSA-N 317.348 2.970 50 40 DFGB CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)c1 8846181 BHHJMGABDMDSHX-QGZVFWFLSA-N 307.353 2.886 50 40 DFGB O=C(NCCCCl)c1ccc(NC(=O)c2ccco2)cc1 35655438 XTHLBIVEIDSBBS-UHFFFAOYSA-N 306.749 2.891 50 40 DFGB COc1cc(/C=N\NC(=O)Nc2ccccc2)ccc1OCC#N 136959858 SZSUYYJFDHVHRH-UNOMPAQXSA-N 324.340 2.753 50 40 DFGB Cc1ccc(C(=O)N/N=C/c2cc3c(cc2Cl)OCO3)o1 573559 KLOCWOGKOHYQSG-OMCISZLKSA-N 306.705 2.734 50 40 DFGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(N)=O)o2)cc1 47048 MBLIBJYAHCLFOU-UKTHLTGXSA-N 310.309 2.516 50 40 DFGB COc1ccc(/C(C)=N/NC(=O)Cc2ccc(F)cc2)cc1 4950132 DQRLBABKQLNIJJ-XDHOZWIPSA-N 300.333 2.917 50 40 DFGB COc1ccc(/C(C)=N/NC(=O)CNc2cccc(C)c2)cc1 359438 LOHGWKOKYNWLMS-XSFVSMFZSA-N 311.385 2.956 50 40 DFGB CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)CC)cc1OC 5656267 LIWYEOOAJVYROJ-IGVUGNCQSA-N 302.374 2.916 50 40 DFGB COc1ccc(OCC(=O)N/N=C(\C)c2cccs2)cc1 5288309 MPXOGMHNKDAMBV-LFIBNONCSA-N 304.371 2.676 50 40 DFGB NC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 7895004 DJHZNWYHXXTLOK-GIDUJCDVSA-N 308.681 2.510 50 40 DFGB CCOC(=O)/C(=N/Nc1ccc2ccccc2c1)C(=O)CCl 2679631 CCOCCWJKSSKKML-XDJHFCHBSA-N 318.760 2.979 50 40 DFGB O=C(Cc1cccc(C(F)(F)F)c1)NNC(=O)c1ccccc1 2623181 OFXLRAZEEYZDOC-UHFFFAOYSA-N 322.286 2.709 50 40 DFGB CN(C)c1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)o1 59391676 OOAIMRHMLLCYDX-YBFXNURJSA-N 323.352 2.968 50 40 DFGB N#CSc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1 13253324 KLHRTVBIEGBPJT-CHWSQXEVSA-N 302.355 2.865 50 40 DFGB O=C(Nc1ccc2c(c1)OCO2)[C@H](Cl)C(=O)c1ccccc1 4207274 PNXFDLBGIKMQAN-CQSZACIVSA-N 317.728 2.844 50 40 DFGB O=C(COc1cccc2ccccc12)N/N=C/c1ccncc1 357802 LFZZPFAOOZIELQ-UDWIEESQSA-N 305.337 2.764 50 40 DFGB CC(=O)C1=C(C)NC(S)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-] 120853 XACCNCBCESNSLT-AWEZNQCLSA-N 315.354 2.810 50 40 DFGB N#CC(C#N)=Cc1cnc(N2CCN(c3ccccc3)CC2)s1 1406063 DKYJLGTVJFVNGP-UHFFFAOYSA-N 321.409 2.900 50 40 DFGB COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)O)cc1 3616569 INBJBSJUWNIJPZ-GXDHUFHOSA-N 322.320 2.939 50 40 DFGB CCOc1ccc(C(=O)N/N=C\c2cccc(O)c2)cc1OC 409315014 UIJWOJBWSZZXKA-WQRHYEAKSA-N 314.341 2.563 50 40 DFGB CC(=O)[C@@H]1CC(=NNC(N)=O)[C@H](C)[C@@H](Cc2ccccc2)C1 4266544 BHPBRBNOQRVGTP-UGFHNGPFSA-N 301.390 2.505 50 40 DFGB biogenic Cc1ccsc1/C=N/NC(=O)C(=O)Nc1cccc(C)c1C 409001077 GMZVSQZXPNERDR-RQZCQDPDSA-N 315.398 2.762 50 40 DFGB O=C(CSCc1ccccc1)N/N=C/c1ccc(O)cc1 18192277 FLLBJGCHXJNATC-LICLKQGHSA-N 300.383 2.776 50 40 DFGB COc1ccc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@@]23C)cc1OC 4578177 SJSMAYIKPRLJRB-WLNVOTGBSA-N 316.401 2.980 50 40 DFGB CC/C(Cc1ccccc1)=N\NC(=O)Cn1nnc2ccccc21 7777138 VSROHFANVPTVAO-XDJHFCHBSA-N 321.384 2.556 50 40 DFGB O=C(N/N=C/c1c[nH]c2ccccc12)c1cc([N+](=O)[O-])ccc1O 59433197 ZKRZTDHPNPKOID-GIJQJNRQSA-N 324.296 2.546 50 40 DFGB Cc1ccc(SCCC(=O)NNC(=O)c2ccco2)cc1C 7539588 ZEUBWPJXOXJYEM-UHFFFAOYSA-N 318.398 2.840 50 40 DFGB CC(=O)NN(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 5124974 LACCJIJNYKLMKW-UHFFFAOYSA-N 316.273 2.692 50 40 DFGB CC[C@@H](Oc1ccccc1)C(=O)NNC(=O)c1ccc(C)cc1 6541510 XRANAYBIQGYLNM-MRXNPFEDSA-N 312.369 2.614 50 40 DFGB COc1ccc(C(=O)N/N=C(\C)c2ccc(O)cc2)c(OC)c1 106674800 PFNJSMOASMUMFD-WOJGMQOQSA-N 314.341 2.563 50 40 DFGB O=C(N/N=C/c1cccc(O)c1)c1cccc(Br)c1 2738886 RWXBFWGFNLRRQM-CXUHLZMHSA-N 319.158 2.919 50 40 DFGB O=C(O)CC/C(=N\NC(=O)c1cccs1)c1ccccc1 4646719 SKHUWHZPIJZMMR-FOWTUZBSSA-N 302.355 2.747 50 40 DFGB O=C(COc1cc(Cl)ccc1Cl)N/N=C\c1ccc[nH]1 30885359 DFQNLZGYGAZZBA-IDUWFGFVSA-N 312.156 2.851 50 40 DFGB O=C(Cl)[C@@H]1CC(=O)N(c2ccc(Br)cc2F)C1 45952667 BKBSITNUZZAQEQ-ZCFIWIBFSA-N 320.545 2.707 50 40 DFGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(C)sc1C 814493 VXIHFTRBYNURRC-ZDUSSCGKSA-N 304.371 2.620 50 40 DFGB CCOC(=O)CCn1cc(C=C(C#N)C#N)c(-c2ccccc2)n1 3214515 LUUAPEWRVNDMGI-UHFFFAOYSA-N 320.352 2.934 50 40 DFGB Cc1ccc(C(=O)NNC(=O)CCCOc2ccccc2)cc1 3555144 BRQSOWCNDLSRJZ-UHFFFAOYSA-N 312.369 2.615 50 40 DFGB CCOC(=O)NNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 21771775 CMSZVRIJQIYPLA-LLVKDONJSA-N 308.378 2.529 50 40 DFGB COc1cc(/C=C(\C#N)c2nc3ccccc3c(=O)[nH]2)ccc1O 39747125 QIXLVYXPVYWNOA-XYOKQWHBSA-N 319.320 2.701 50 40 DFGB Cc1ccc(NC(=O)N/N=C\c2ccc(O)c([N+](=O)[O-])c2)cc1 408904442 JMYXKYQSMHQOSF-SXGWCWSVSA-N 314.301 2.764 50 40 DFGB NNC(=O)c1ccc(COc2ccc(Br)cc2)cc1 370420 KPTMTDJGZVQGCK-UHFFFAOYSA-N 321.174 2.632 50 40 DFGB Cc1cccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c1 20247082 OPMCVMZQNPZOIY-RQZCQDPDSA-N 314.414 2.644 50 40 DFGB O=C(NN=C(c1ccccc1)c1ccccc1)c1cnsn1 65547933 RTERGDZZKSITBD-UHFFFAOYSA-N 308.366 2.721 50 40 DFGB C/C(=C\C(=O)c1ccc(Cl)cc1)NNC(=O)c1ccccn1 408734104 JQKRMQGLADTTLL-ZHACJKMWSA-N 315.760 2.756 50 40 DFGB COc1ccc(NNC(=O)C2CCOCC2)c(C(F)(F)F)c1 521394318 PWAOEAKFMNLYSG-UHFFFAOYSA-N 318.295 2.584 50 40 DFGB Cc1[nH]nc2c1[C@@H](c1cccc(C(F)(F)F)c1)C(C#N)=C(N)O2 494802 PRJVUQVUOPCRMV-LBPRGKRZSA-N 320.274 2.955 50 40 DFGB O=C(Cc1c[nH]c2ccccc12)NNC(=O)Nc1ccccc1 2549983 ALXCFLIBOWIOIH-UHFFFAOYSA-N 308.341 2.563 50 40 DFGB CCn1c(C(=O)NNc2nc(C)cc(C)n2)cc2ccccc21 65474482 CIRYZRYVZKJIQG-UHFFFAOYSA-N 309.373 2.825 50 40 DFGB NC(=S)NNC(=O)N1c2ccccc2Sc2ccccc21 19015405 MYLAEZXZGOFVIR-UHFFFAOYSA-N 316.411 2.747 50 40 DFGB O=C(N/N=C/c1ccc(O)c2ncccc12)c1ccc(F)cc1 80553 BBHAKFOMDVMSAO-KEBDBYFISA-N 309.300 2.843 50 40 DFGB O=C(NN=C1[C@H]2CCC[C@H]1CC(C(=O)O)C2)c1ccccc1 100867500 AXFPWIVHCXHDGM-RFHHWMCGSA-N 300.358 2.683 50 40 DFGB COc1ccc(CCN(CCC#N)C(=O)C(Cl)Cl)cc1 1614586 FASOJPHCRLSQHU-UHFFFAOYSA-N 315.200 2.784 50 40 DFGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccncc1 3281894 RCCVKJHSAFZVCK-ZVBGSRNCSA-N 322.290 2.663 50 40 DFGB C/C(=N/NC(=O)Cc1cccs1)c1cccc([N+](=O)[O-])c1 4173673 SVTZWJZNFOEZNN-GDNBJRDFSA-N 303.343 2.739 50 40 DFGB CC(=O)N1CCC(=NNC(=O)c2csc3ccccc23)CC1 5518157 HWCSBSCVJYMFRW-UHFFFAOYSA-N 315.398 2.629 50 40 DFGB C[C@@H](Cl)C(=O)NCCC(=O)Nc1ccc2ccccc2c1 15423144 TUYNMBNGLSLBGB-LLVKDONJSA-N 304.777 2.912 50 40 DFGB CCO[C@H]1C[C@@H]2[C@H](Cl)[C@@H]1NC2(C(F)(F)F)C(F)(F)F 100114825 RSEPZTQGKVOSMQ-JRTVQGFMSA-N 311.653 2.854 50 40 DFGB N#CC1=C(N)n2c(nc3ccccc32)N[C@H]1c1ccccc1F 20086169 WUSRSDLBJWLLSI-HNNXBMFYSA-N 305.316 2.993 50 40 DFGB Cc1occc1C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 357387 SKODIXWBAFAMQT-UHFFFAOYSA-N 300.358 2.960 50 40 DFGB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccco1)C(C#N)=C(N)O2 406832 XHMCPIHBFUJMPR-MRXNPFEDSA-N 318.336 2.992 50 40 DFGB CSC1=NC=C(C#N)C2=N[C@H](c3c(F)cccc3Cl)NN12 90573 JSSRQXVXSCUMFR-NSHDSACASA-N 321.768 2.836 50 40 DFGB CSC1=NC=C(C#N)C2=N[C@H](c3ccc(Cl)cc3)NN12 167994 MIHZRRJYOYOPOL-NSHDSACASA-N 303.778 2.697 50 40 DFGB COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C(=O)Cl)o2)c1 6179837 NJEMVSVSFPNIKD-UHFFFAOYSA-N 322.700 2.899 50 40 DFGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccs2)[C@H]2CSCC=C12 2185028 CCKWFVSTTBMJRJ-JSGCOSHPSA-N 324.434 2.905 50 40 DFGB Cc1cc(/C=N/NC(=O)c2ccccn2)c(C)n1-c1ccccn1 409241824 YXHLECOGHJFUDZ-CIAFOILYSA-N 319.368 2.648 50 40 DFGB CC(C)(C)NCC(=O)N/N=C/c1ccc(Cl)cc1Cl 33881314 JIEZYAPZCSPRKR-REZTVBANSA-N 302.205 2.832 50 40 DFGB Cc1cccc(OCC(=O)N/N=C\c2cccc(C)c2O)c1C 30838784 GBLYMQVHARSXFV-GRSHGNNSSA-N 312.369 2.847 50 40 DFGB CCSC1=C(C#N)[C@H](c2ccc3c(c2)OCO3)CC(=O)N1 9363632 XWPXQLYTIMPHDA-JTQLQIEISA-N 302.355 2.507 50 40 DFGB COc1ccccc1NCC(=O)N/N=C1/CCCc2ccccc21 33329556 RJUCBAJGBFSFKN-PGMHBOJBSA-N 323.396 2.964 50 40 DFGB COC(C)(C)C(=O)Nc1ccc(OCCBr)cc1 225599018 DFPLGBHHHXBKOP-UHFFFAOYSA-N 316.195 2.824 50 40 DFGB COc1ccc(C(=O)NN)cc1CSc1ccc(C)cc1 224332568 XKNZDBVSJWWJDE-UHFFFAOYSA-N 302.399 2.899 50 40 DFGB COc1ccccc1NC(=S)NC(=O)C(C)(C)CCl 2555997 PMAGJGABBNTDRV-UHFFFAOYSA-N 300.811 2.773 50 40 DFGB O=C(CSc1ccc(F)cc1)NNC(=O)c1ccc(F)cc1 2620583 UXOHWYAZFHHWEM-UHFFFAOYSA-N 322.336 2.518 50 40 DFGB C#CCOc1ccc(/C=N/NC(=O)c2cccc(C)c2)cc1OC 3127086 SYUVPFGHSXNGAL-DEDYPNTBSA-N 322.364 2.780 50 40 DFGB COc1ccccc1/C=N/NC(=O)[C@@H](C)Oc1ccccc1C 12466796 BMIVHGIWLMNDRN-ONDHQXCVSA-N 312.369 2.921 50 40 DFGB Cn1c(CC(=O)NN)c(Sc2ccccc2)c2ccccc21 54943 FDZRFFNKVDDJSA-UHFFFAOYSA-N 311.410 2.862 50 40 DFGB CC1CCN(CN2C(=O)C(=C(C#N)C#N)c3ccccc32)CC1 57256569 UXEFTVMSCOYBHP-UHFFFAOYSA-N 306.369 2.523 50 40 DFGB O=C(C[C@H]1C=CCC1)NNC(=O)C12CC3CC(CC(C3)C1)C2 12815766 LSNLBCCJYLRXPW-IHWZXDPASA-N 302.418 2.707 50 40 DFGB Cc1cc(C(=O)NNC(=O)C2CCC2)c(C)n1-c1ccccc1 8027087 LDAORWKYLFRBQV-UHFFFAOYSA-N 311.385 2.655 50 40 DFGB O=C(O)/C=C/C(=O)Nc1ccc(OC(F)(F)[C@H](F)Cl)cc1 36067642 GYQQNDDALGSLMJ-QRGHLMKCSA-N 323.654 2.772 50 40 DFGB CCOc1cc(/C=N\NC(=O)c2ccccc2OC)ccc1O 83292534 PNFOZCRGSZUDFL-WQRHYEAKSA-N 314.341 2.563 50 40 DFGB NNC(=O)c1ccc(CCc2ccccc2)n1Cc1ccccc1 226028914 CEPUHRUVEJTSQY-UHFFFAOYSA-N 319.408 2.925 50 40 DFGB CCOC(=O)[C@@H](SC#N)[C@@H](C(=O)OCC)c1ccc(C)cc1 5555608 SSQKXXQWAQPLEH-KBPBESRZSA-N 321.398 2.788 50 40 DFGB N#CC(C#N)=CN[C@@H]1CCCc2c1cnn2Cc1ccccc1 32080784 MDULICWZGAHXKT-QGZVFWFLSA-N 303.369 2.829 50 40 DFGB CCOc1ccc(C(=O)N/N=C\c2ccc(O)cc2)cc1OC 409325825 BOXJWSNXPSRIQD-WQRHYEAKSA-N 314.341 2.563 50 40 DFGB O=C(CNc1ccccc1Cl)N/N=C/c1cccc(O)c1 68870 BFOXCRTWUROTPN-GIJQJNRQSA-N 303.749 2.608 50 40 DFGB COc1ccc(/C(C)=N/NC(=O)c2ccc(C)o2)c(OC)c1 14407552 KVXRCGYVVQZLEU-GZTJUZNOSA-N 302.330 2.759 50 40 DFGB CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1cc(C)ccc1C 575616630 UUFQJPVFWNKIBC-CQSZACIVSA-N 322.792 2.713 50 40 DFGB O=C(Cl)c1cc(Cl)c(Sc2ncn[nH]2)c([N+](=O)[O-])c1 70462562 OIXHAMSGLRJFPR-UHFFFAOYSA-N 319.129 2.897 50 40 DFGB ClC[Si](c1ccccc1)(c1ccccc1)c1ccccc1 195760524 TWLQFXVRXFUAMZ-UHFFFAOYSA-N 308.884 2.935 50 40 DFGB O=C(/C=C/c1ccccc1)NNC(=O)[C@@H]1C[C@H]1c1ccccc1 5369215 RKPPRFRVLMQMAL-PUENXVRKSA-N 306.365 2.651 50 40 DFGB CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)ccc1O 408976865 GVUVVCIFDHIBNQ-RIYZIHGNSA-N 311.341 2.852 50 40 DFGB Cc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)c1cccnc1 33281569 YEJRFRFORDLHNG-NDENLUEZSA-N 319.368 2.648 50 40 DFGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OC 211618247 JSIFFZNGZXAIMK-WZUFQYTHSA-N 308.765 2.789 50 40 DFGB CC[C@H](C)NC(=O)c1cccc(NC(=O)CBr)c1 35605259 LKDSAKBCPFDYDR-VIFPVBQESA-N 313.195 2.548 50 40 DFGB O=C(CCl)N1CC[C@H](CN(Cc2ccccc2)C2CC2)C1 79415084 PQPPIVQORHGLPD-HNNXBMFYSA-N 306.837 2.738 50 40 DFGB O=C(N/N=C\c1ccc2c(c1)OCCO2)c1cc2ccccc2o1 83323557 RYIYVRLFGPJVRZ-ODLFYWEKSA-N 322.320 2.968 50 40 DFGB COc1cccc(C(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)c1 5494675 CELAJUQVGGDHSG-GZTJUZNOSA-N 313.313 2.757 50 40 DFGB CCOc1ccccc1[C@@H]1C(C#N)=C(SC)NC(=O)[C@H]1C#N 9088531 ACJTUEFXZGJJGH-FZMZJTMJSA-N 313.382 2.537 50 40 DFGB COc1ccc(C(=O)NNC(=O)c2ccco2)c2ccccc12 12569335 AEXXMWJUJADKID-UHFFFAOYSA-N 310.309 2.516 50 40 DFGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2)cc1 57787129 JYLKIXLIPONFLV-DEDYPNTBSA-N 305.337 2.887 50 40 DFGB Cc1cc(C)cc(O[C@@H](C)C(=O)N/N=C\c2ccccc2O)c1 54202484 UFNSUMBZJMFPRG-KVMVOAJRSA-N 312.369 2.927 50 40 DFGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1ccc(O)c(O)c1 6794923 AEJJEOHHXUPABQ-TZRLYZKDSA-N 300.358 2.700 50 40 DFGB CCCCCC(=O)NNC(=O)[C@@H](C)Oc1ccc(OCC)cc1 29514109 SACFYKINTCGTGX-CYBMUJFWSA-N 322.405 2.580 50 40 DFGB COc1cc(OC)c(/C=N/NC(=O)c2ccco2)cc1Cl 408588302 IYZPOWMFPYTKTB-LZYBPNLTSA-N 308.721 2.714 50 40 DFGB N#C/C(=C/c1ccc(OCC(N)=O)cc1)c1cccc([N+](=O)[O-])c1 34890677 IMDRKLXXYWHRHE-ZSOIEALJSA-N 323.308 2.523 50 40 DFGB C[C@@H]1CN2C[C@@H](C)O[Si](CC[Si](C)(C)C)(O1)O[C@H](C)C2 195752881 ZHKCSBPDIVEGKQ-MGPQQGTHSA-N 317.578 2.808 50 40 DFGB CS(=O)(=O)[C@H](Cl)[C@@H](O)c1ccc(-c2ccccc2)cc1 96518842 IDYOGPIUQRCDTA-GJZGRUSLSA-N 310.802 2.997 50 40 DFGB CC[C@H](Br)C(=O)Nc1cnn(CCCCF)c1 96508977 AFUJVCXXKUKZQO-JTQLQIEISA-N 306.179 2.745 50 40 DFGB Cc1nc(-c2ccc(C(=O)NNC(=O)OC(C)C)cc2)cs1 585140223 ADADURNFYBSLFV-UHFFFAOYSA-N 319.386 2.898 50 40 DFGB CCN1CCN(C2=CC3=CC(=C(C#N)C#N)CC[C@H]3CC2)CC1 22036220 SNLWWZFCBNHEJV-HNNXBMFYSA-N 308.429 2.982 50 40 DFGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccs2)[C@@H]2CSCC=C12 2185025 CCKWFVSTTBMJRJ-TZMCWYRMSA-N 324.434 2.905 50 40 DFGB Cc1occc1C(=O)/C(C#N)=C/c1ccccc1OCC(=O)O 26395233 XZGHFNFUZCSSSQ-MDWZMJQESA-N 311.293 2.841 50 40 DFGB ClC[C@H](Cl)COC[C@@H]1CO[C@H]([C@@H]2C[C@H]3C=C[C@H]2C3)O1 230320720 VUNCFBMWHARXEN-QQKNPXLJSA-N 307.217 2.803 50 40 DFGB COc1ccc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@@]32C)c(OC)c1 1194961 ABXNPFIDBFQMEO-OPDQTMHHSA-N 316.401 2.980 50 40 DFGB NNC(=O)CCn1cnc(-c2ccccc2)c1-c1ccccc1 571503 RYMOOWRQGLHFEH-UHFFFAOYSA-N 306.369 2.597 50 40 DFGB CCc1ccc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)o1 8811090 OKEXEDZGZUVKAI-LICLKQGHSA-N 302.330 2.623 50 40 DFGB C/C(=N/NC(=O)c1ccc2[nH]cnc2c1)c1cccc([N+](=O)[O-])c1 28351885 JBGIECHKOFCVBU-GRSHGNNSSA-N 323.312 2.625 50 40 DFGB C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1ccc(O)cc1O 216047516 WQIQMTDYVGPYKI-CPNJWEJPSA-N 312.369 2.798 50 40 DFGB COc1ccc(N(Cc2ccccn2)C(=O)CCl)cc1OC 199755123 JNKIHVXTZRAXHJ-UHFFFAOYSA-N 320.776 2.871 50 40 DFGB Cc1cccc(/C=N/NC(=O)[C@H](C)Nc2cccc(Cl)c2)n1 126356 HPCIFFKIHFTWCA-NNLQFVHNSA-N 316.792 2.994 50 40 DFGB CCOc1ccccc1C(=O)N/N=C/c1ccc2c(c1)OCO2 63602 KOGRDYVWUXNJJV-VCHYOVAHSA-N 312.325 2.578 50 40 DFGB C/C(=N/NC(=O)c1ccncc1)c1ccc(NC(=O)C2CC2)cc1 17056001 MDGMKIJJGTXWKM-MTJSOVHGSA-N 322.368 2.584 50 40 DFGB CCc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 3072759 HBQPZMHPCISCFW-UDWIEESQSA-N 323.396 2.955 50 40 DFGB CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccccn2)cc1 5591962 CJFVRMRZRAQRDG-KAMYIIQDSA-N 322.320 2.771 50 40 DFGB Cc1ccc(OCC(=O)N/N=C/c2ccccc2F)cc1C 239328 QKIMJYXISCNLFF-VXLYETTFSA-N 300.333 2.972 50 40 DFGB CCOC(=O)N/N=C1\CCCCCC\C1=N/NC(=O)OCC 18181885 LEIPCEPWACIEMX-JOBJLJCHSA-N 312.370 2.545 50 40 DFGB C[C@@H](Br)C(=O)NC1=C(C#N)[C@H]2CCC[C@H]2S1 2317708 HWZYDWHXBXTAKG-ZXFLCMHBSA-N 301.209 2.537 50 40 DFGB CC(C)c1ccc2c(c1)/C(=N/NC(=O)c1ccccn1)C(O)=N2 6171614 FRYVPICLENNBFB-UHFFFAOYSA-N 308.341 2.941 50 40 DFGB COc1cccc(/C=C(/C#N)C(=O)NCc2ccccc2)c1OC 35058617 ZOQXMJVMBXPMSY-WJDWOHSUSA-N 322.364 2.927 50 40 DFGB CCOc1ccc(C(=O)NNC(=O)c2cccs2)cc1Cl 569142 URBOZHIXQNEZPW-UHFFFAOYSA-N 324.789 2.875 50 40 DFGB O=C(N/N=C/C=C/c1ccco1)c1cncc(Br)c1 2330289 SAOQXKSHTOGKPG-TZWKYVIBSA-N 320.146 2.866 50 40 DFGB C/C(CC(=O)NCC(C)C)=N\NC(=O)c1ccccc1Cl 4904432 KYSUTQHRDOPLCF-WOJGMQOQSA-N 309.797 2.608 50 40 DFGB CC1(O)c2ccccc2[PH](C)(c2ccccc2)c2ccccc21 103844138 NVTXXCMOTRYSSZ-UHFFFAOYSA-N 320.372 2.912 50 40 DFGB COc1ccc(/C=N/NC(=O)c2cc3c(OC)cccc3[nH]2)cc1 2360256 OKEHADMCRWQTGU-YBFXNURJSA-N 323.352 2.949 50 40 DFGB CO[Si](C[C@@H](C)SCCc1ccccn1)(OC)OC 200069120 JGUUIHSLFPRUSA-GFCCVEGCSA-N 301.484 2.624 50 40 DFGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC)ccc32)cc1 85408998 WLPWVCJUUAAWQU-KRWDZBQOSA-N 308.337 2.922 50 40 DFGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(N)=O 3570164 IONAMTQUYCMBFK-PTNGSMBKSA-N 314.348 2.932 50 40 DFGB COc1ccc(F)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1 4310788 PLOKZXYZRZRVLP-HNNXBMFYSA-N 314.316 2.649 50 40 DFGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccccc1[N+](=O)[O-] 409377799 KVJULHRHWQSSFD-ZROIWOOFSA-N 310.313 2.690 50 40 DFGB Cc1nc2sccn2c1[C@H]1C(C#N)=C(N)Oc2cc(N)ccc21 18199198 UAEJOETYYWPCIB-CYBMUJFWSA-N 323.381 2.505 50 40 DFGB Cc1occc1C(=O)NNC(=O)N[C@H](c1ccccc1)C1CC1 23109032 GETDDWUJLRHXGG-OAHLLOKOSA-N 313.357 2.683 50 40 DFGB COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1 33695609 HMKAIGNUWIULQT-ZROIWOOFSA-N 322.320 2.939 50 40 DFGB COc1ccc(CC(=O)N/N=C(\C)c2ccccc2)cc1OC 5638632 KRULZOPGHIGSHF-CPNJWEJPSA-N 312.369 2.787 50 40 DFGB Cc1ccsc1/C=N\NC(=O)Cn1c(C)nc2ccccc21 13633131 AUCYVYZJWSXVQX-MFOYZWKCSA-N 312.398 2.865 50 40 DFGB CCc1ccc2c(c1)/C(=N\NC(=O)c1ccccc1C)C(=O)N2 8446538 VCJRXFPHGDBCHQ-UHFFFAOYSA-N 307.353 2.644 50 40 DFGB COc1ccccc1NCC(=O)N/N=C/c1ccc(C)s1 584272 PCXWWVTXXMZHAD-RQZCQDPDSA-N 303.387 2.627 50 40 DFGB O=C(COc1ccccc1)N/N=C/C=C/c1ccc2c(c1)OCO2 4724630 KYYCYCPAGXBBQM-PXMWPNLLSA-N 324.336 2.610 50 40 DFGB C#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1 408799986 MJIJXPPRVUWKIO-NTCAYCPXSA-N 318.332 2.950 50 40 DFGB O=C(CBr)Nc1ccccc1OC[C@@H]1CCCO1 35605196 AGGKSVJEGVKIDI-JTQLQIEISA-N 314.179 2.578 50 40 DFGB CCC[C@H](C(=O)NN)N1c2ccc(F)cc2C(C)=CC1(C)C 223220834 PNSNQFKNKXFBKA-OAHLLOKOSA-N 305.397 2.986 50 40 DFGB CCN1C(=O)/C(=C(\C#N)C(=O)NC2CCCCC2)c2ccccc21 140820144 MKJYDYOFKTVGIM-BMRADRMJSA-N 323.396 2.779 50 40 DFGB COCCn1c(C)cc(/C=C(/C#N)C(=O)NC2CCCC2)c1C 254974245 GZGMITIGKNBDCR-WJDWOHSUSA-N 315.417 2.717 50 40 DFGB Cc1ccc(C(=O)[C@H](Cl)C(=O)C(=O)Nc2ccccc2)cc1 100020056 UTMQCOBNBZXLNJ-AWEZNQCLSA-N 315.756 2.993 50 40 DFGB O=C(N/N=C/c1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1 3174407 NAZPATIACJHFGI-CAOOACKPSA-N 305.240 2.637 50 40 DFGB CCOc1cc(C(=O)N/N=C\c2ccccc2O)ccc1OC 6355014 OZHZUIQUYXTLDQ-WQRHYEAKSA-N 314.341 2.563 50 40 DFGB CCn1c(/C=N\NC(=O)c2ccccc2O)nc2ccccc21 100860119 OLNHYWSJLXATBV-WQRHYEAKSA-N 308.341 2.526 50 40 DFGB CCc1ccccc1OCC(=O)N/N=C/c1ccc(OC)cc1 1498223 DKPNIZMDXAHDBO-XDHOZWIPSA-N 312.369 2.787 50 40 DFGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)N1CCc2ccccc21 35332366 VTEFTUGOWIQOSD-DHDCSXOGSA-N 318.332 2.912 50 40 DFGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/C=C\c1ccccc1 108863132 PNPXIFPBMQWFJK-JSGDBHGWSA-N 309.325 2.953 50 40 DFGB O=C(N/N=C\c1cc(Br)cs1)c1ccncc1 13113495 FCWGTGZMXDQWGJ-NSIKDUERSA-N 310.176 2.670 50 40 DFGB N#C/C(=C\c1c[nH]nc1-c1cccc(Br)c1)C(=O)O 5272562 OORPKZGJNPCQLH-RUDMXATFSA-N 318.130 2.831 50 40 DFGB Cc1ccccc1N1C(S)=C(C#N)C(=O)N[C@H]1c1ccco1 352257 VLIIQFSOLGSFLT-CQSZACIVSA-N 311.366 2.888 50 40 DFGB CC(C)C(=O)NNC(=O)CCc1ccc(Cl)cc1Cl 32770171 SFOKGYIQACQLQK-UHFFFAOYSA-N 303.189 2.729 50 40 DFGB CCOC(=O)c1[nH]c(CBr)c(C(=O)OCC)c1C 495014 YFNAQTXYIOAWOW-UHFFFAOYSA-N 318.167 2.571 50 40 DFGB CCCOc1ccc(/C=N/NC(=O)c2cccnc2)cc1OC 2759347 ODRHIZJLMNIIEG-YBFXNURJSA-N 313.357 2.643 50 40 DFGB N#C/C(=C\C1=Cc2ccccc2OC1)C(=O)NCc1ccco1 6283422 ODDBKIMVLPVUIJ-OQLLNIDSSA-N 306.321 2.822 50 40 DFGB CCCOc1ccc(Br)cc1/C=C(\C#N)C(N)=O 5067942 GPIXCMFBGQUNIF-UXBLZVDNSA-N 309.163 2.630 50 40 DFGB CC1=C(C(=O)OC(C)C)[C@H](c2cccc(F)c2)C(C#N)=C(N)O1 4476296 RKDQKTQCSYXXRI-OAHLLOKOSA-N 316.332 2.859 50 40 DFGB Cc1nc2ccccn2c1C(=O)N/N=C/c1c(F)cccc1F 6508650 CPAPYXDEDDSRLI-DJKKODMXSA-N 314.295 2.685 50 40 DFGB COc1ccc(C(=O)NNC(=O)c2cc3cc(C)ccc3[nH]2)cc1 4704297 MZJBTTYJTJDSPV-UHFFFAOYSA-N 323.352 2.560 50 40 DFGB Cc1ccc(C)c(C(=O)C[C@@H]2O[C@@H](O)[C@@H](Cl)[C@@H]2Cl)c1 5722606 KVGRFPSXOUEZGT-RFQIPJPRSA-N 303.185 2.808 50 40 DFGB C=CCOc1cccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c1 8103303 TZYWYNIGURGSES-YBFXNURJSA-N 324.336 2.744 50 40 DFGB COc1cc(/C=N\NC(=O)c2ccc(F)cc2)cc(Cl)c1O 30822081 KDFJCNGOIAAOAJ-LSCVHKIXSA-N 322.723 2.957 50 40 DFGB Cc1cc(C)nc(NNC(=O)CSc2ccccc2C)n1 22233164 SFIALVUPLGMVFW-UHFFFAOYSA-N 302.403 2.637 50 40 DFGB C1CN2CCC1[C@@]1(C2)SS[C@]2(CN3CCC2CC3)S1 1601497 LANMSDDOLUOXBT-OKILXGFUSA-N 314.545 2.958 50 40 DFGB O=C(COc1ccc2ccccc2c1)N/N=C1/CCn2cccc21 96032411 XTQVQTZLZYBADI-JZJYNLBNSA-N 319.364 2.944 50 40 DFGB COC(=O)c1ccc([C@@H]2NC(=O)NC(C(C)(C)C)=C2C#N)cc1 409373749 ZSCMEUVIZOJMSM-ZDUSSCGKSA-N 313.357 2.651 50 40 DFGB COc1ccc(OCC(=O)N/N=C\c2sccc2C)cc1 33319359 HBGSIMUWDUUUGE-SXGWCWSVSA-N 304.371 2.594 50 40 DFGB O=C(CCl)c1ccc2c(c1)CCN(C(=O)C(F)(F)F)C2 95883920 ZNBOWGFMDDQGJG-UHFFFAOYSA-N 305.683 2.555 50 40 DFGB COc1ccc(CNC(=O)/C(C#N)=C\c2cccc(OC)c2)cc1 7068661 WKDYCXWXACLVLJ-YBEGLDIGSA-N 322.364 2.927 50 40 DFGB Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1 203552 OQZGUHBIQCWIPP-KRWDZBQOSA-N 306.321 2.942 50 40 DFGB O=C(COc1cc(Cl)ccc1Cl)N/N=C/c1cccnc1 5452286 VXNWIVRROXMXLI-QGMBQPNBSA-N 324.167 2.918 50 40 DFGB CCOC(=O)/C(C#N)=C/c1ccc(Sc2ncccn2)o1 409086293 GTCVTVZMQJYCNU-CSKARUKUSA-N 301.327 2.691 50 40 DFGB CC(C)NCC(=O)N/N=C/c1cccc(Oc2ccccc2)c1 408972840 GIWACRDJNKJRLL-UDWIEESQSA-N 311.385 2.927 50 40 DFGB NNC(=O)c1ccc2[nH]c(-c3ccc4ccccc4c3)nc2c1 216728377 WGHLRXFZSADBRI-UHFFFAOYSA-N 302.337 2.987 50 40 DFGB COC(=O)N[C@H](c1ccccc1)[C@@H](C)I 1712350 YTSCPHGNOGQPJV-SCZZXKLOSA-N 319.142 2.907 50 40 DFGB COc1ccc(C(=O)Nc2cccc(/C=C(/C#N)C(=O)O)c2)cc1 44867212 RAHTUHNXQWJEQP-ZROIWOOFSA-N 322.320 2.939 50 40 DFGB COc1ccccc1/C=N/NC(=O)COc1cc(C)cc(C)c1 5539369 MFEPHTVXBWHFIQ-YBFXNURJSA-N 312.369 2.841 50 40 DFGB CCCSC1=C(C#N)[C@H](c2ccc3c(c2)OCO3)CC(=O)N1 8972935 YELITOHGUUAQDI-NSHDSACASA-N 316.382 2.897 50 40 DFGB Cc1cc(C)c(OCC(=O)N/N=C/c2ccccc2O)c(C)c1 356783 AQPGTYQXOIFLCK-VXLYETTFSA-N 312.369 2.847 50 40 DFGB CC(=O)[C@@H]1C/C(=N/NC(N)=O)[C@H](C)[C@H](Cc2ccccc2)C1 4266541 BHPBRBNOQRVGTP-NKMLCKSVSA-N 301.390 2.505 50 40 DFGB Cc1ccsc1/C=N\NC(=O)c1ccc2c(c1)OCCO2 13110381 TXKZEVWJSFXKFZ-SXGWCWSVSA-N 302.355 2.592 50 40 DFGB O=C(NNC(=O)[C@H]1CCCc2ccccc21)c1ccc(F)cc1 24753943 DUVJKLOJQVDODI-INIZCTEOSA-N 312.344 2.707 50 40 DFGB C[C@H]1CCC/C(=N\NC(=O)CCC(=O)NCc2ccccc2)C1 12403982 FBKMSBPLDDYIPU-ZDHNHOGNSA-N 315.417 2.765 50 40 DFGB CC(C)N1C(=O)/C(=N/NC(=O)Cc2ccccc2)c2ccccc21 12401592 NOEFNWUSRYUGIB-DYTRJAOYSA-N 321.380 2.505 50 40 DFGB COc1ccc(/C(C)=N\NC(=O)c2ccc(N(C)C)cc2)cc1 13111379 QXWKENBFNCZMHL-UYRXBGFRSA-N 311.385 2.915 50 40 DFGB Cc1ccc(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1C 409180718 ZGUJTEDYSZQEMI-WOJGMQOQSA-N 311.341 2.904 50 40 DFGB N#CC1=C(S)N(c2ccc(F)cc2)[C@@H](c2ccco2)NC1=O 4116943 JCUQLBFYUSWHNG-ZDUSSCGKSA-N 315.329 2.719 50 40 DFGB CC(C)[C@]12N=C(O)[C@](C#N)(C(C#N)=C(Br)N1)C2(C)C 66088010 VQNYDSNIJBNOKZ-QWHCGFSZSA-N 323.194 2.578 50 40 DFGB N#C/C(=C\c1cc2cc(F)ccc2o1)C(=O)NC[C@@H]1CCCO1 98013306 MYSOEFJFGOJBNS-BCNIOPEESA-N 314.316 2.774 50 40 DFGB Cc1ccc(COc2ccc(/C=N/NC(=O)CC#N)cc2)cc1 4480258 QOUKFQLDHCCBNN-UDWIEESQSA-N 307.353 2.938 50 40 DFGB C[C@H](Cl)C(=O)Nc1ccccc1I 20363146 NUXNRMJFVJRIMP-LURJTMIESA-N 309.534 2.857 50 40 DFGB in-vitro Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1ccc(O)cc1 59334464 AETGTXWESXROGO-GDNBJRDFSA-N 309.369 2.795 50 40 DFGB Cc1n[nH]c2c1[C@@H](c1ccccc1OC(F)F)C(C#N)=C(N)O2 18137334 QPOCMCQHZLNBAL-LBPRGKRZSA-N 318.283 2.538 50 40 DFGB C/C(C=O)=C\c1cc(I)cc(C)c1O 216763876 HVRGMFSIQGKZEH-XVNBXDOJSA-N 302.111 2.907 50 40 DFGB O=C1c2ccccc2C(=O)N1c1cc(CBr)ccn1 95635392 YVRIUIQJDWVLTN-UHFFFAOYSA-N 317.142 2.777 50 40 DFGB in-vitro Cc1occc1C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1 5273133 MZEOWDKPXCKMOP-UHFFFAOYSA-N 312.247 2.682 50 40 DFGB CCCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2ccccc2)C1=O 5021829 GFEGPKSWRIWVDV-VBKFSLOCSA-N 309.369 2.991 50 40 DFGB O=C(COc1ccc2ccccc2c1)NNC(=O)c1ccccc1 3559662 NQWPOSMWYGDFDX-UHFFFAOYSA-N 320.348 2.680 50 40 DFGB COc1cc(C)c(/C=N/NC(=O)c2ccc(F)cc2)cc1OC 107625073 XCZKMTDWNJVDPC-VXLYETTFSA-N 316.332 2.915 50 40 DFGB COc1ccc(C(=O)N/N=C/c2cn(C)c3ccccc23)c(O)c1 409390541 FDHUBDMEZXVHGR-VXLYETTFSA-N 323.352 2.656 50 40 DFGB C[C@@H](/C=N/NC(=O)c1ccc2c(c1)OCCO2)c1ccccc1 4811792 YDKYSCXLUQPLGX-HCZVKUGISA-N 310.353 2.977 50 40 DFGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cccc2cc[nH]c12 38167938 XRLYSOSWDPXXAX-GIJQJNRQSA-N 324.296 2.546 50 40 DFGB COc1ccc(/C(C)=N\NC(=O)Cn2cnc3ccccc32)cc1 72930 WARWIPDAHQNWDA-MOSHPQCFSA-N 322.368 2.585 50 40 DFGB Cc1ccc(C(=O)N/N=C\C=C\c2ccc([N+](=O)[O-])cc2)cn1 12466770 OBNUPRDJCWXEME-IPDMMGBDSA-N 310.313 2.727 50 40 DFGB CC(C)(C)NC(=S)NNC(=O)c1cccc2ccccc12 14894722 XOVYCTFLABJGET-UHFFFAOYSA-N 301.415 2.747 50 40 DFGB COc1ccccc1/C=N/NC(=O)c1cc2ccccc2oc1=O 175275 VURJCCSDZVASCJ-YBFXNURJSA-N 322.320 2.566 50 40 DFGB O=P(c1ccccc1)(c1ccccc1O)c1ccccc1O 102068094 MXCKINYQRLLOAU-UHFFFAOYSA-N 310.289 2.737 50 40 DFGB C[N+]1(C[C@@H](Br)CBr)CCCCC1 3207435 HCDJDCWUMAQHOE-VIFPVBQESA-N 300.058 2.775 50 40 DFGB CC(=O)Cn1c(CCl)nc2sc3c(c2c1=O)CCCC3 2650283 IBDXLMKQAFNDIH-UHFFFAOYSA-N 310.806 2.665 50 40 DFGB COc1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)cc1O 5069673 HHWOOFSEIWGWEL-UKTHLTGXSA-N 310.357 2.783 50 40 DFGB CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccccn1 409108210 VSWOHSUVWDBTNX-VCHYOVAHSA-N 303.749 2.898 50 40 DFGB CC(C)[C@H](C(=O)NN)N1c2ccc(F)cc2[C@@H](C)CC1(C)C 223214583 YAEVTWKJZRPQBO-XHDPSFHLSA-N 307.413 2.932 50 40 DFGB N#CC1=C(N)Oc2c(ccc3cccnc23)[C@H]1c1ccncc1 492441 YNEIROJBBRXLDJ-OAHLLOKOSA-N 300.321 2.848 50 40 DFGB CCOc1ccc(NC(=O)CCC(=O)NN=C2CCCC2)cc1 586234 SVOZWWZKRSHACX-UHFFFAOYSA-N 317.389 2.850 50 40 DFGB C/C(=N\NC(=O)Cn1cnc2ccccc21)c1ccc(C)cc1 573814 VMZVAZVGEDNMHY-XSFVSMFZSA-N 306.369 2.885 50 40 DFGB N#C/C(=C/c1ccc(-c2ccccc2)cc1)c1nc(N)nc(N)n1 97054201 GSUUEHMNGIFZDA-GDNBJRDFSA-N 314.352 2.767 50 40 DFGB COc1ccnc(NNC(=O)CC23CC4CC(CC(C4)C2)C3)n1 55104222 LYVAVHBWYQBKEC-UHFFFAOYSA-N 316.405 2.535 50 40 DFGB CCOC(=O)N/N=C1/CCCCCC/C1=N\NC(=O)OCC 104098141 LEIPCEPWACIEMX-UKVBVZPVSA-N 312.370 2.545 50 40 DFGB COc1ccc(NC(=S)NNC(=O)NC2CCCCC2)cc1 4622886 BIQZDJOJXJASET-UHFFFAOYSA-N 322.434 2.529 50 40 DFGB O=C(Oc1ccc([N+](=O)[O-])c(F)c1)c1c[nH]c2ncccc12 102113816 FLSHGSZDBJPLTM-UHFFFAOYSA-N 301.233 2.829 50 40 DFGB COc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1O 381283 BZBUQBKBQTZDSO-RQZCQDPDSA-N 304.733 2.818 50 40 DFGB COc1cc(/C(C)=N\NC(=O)Cc2cccs2)ccc1O 546656 ZLVSHZRLDKJZAS-YBEGLDIGSA-N 304.371 2.545 50 40 DFGB Cn1cccc1/C=N/NC(=O)CNc1ccc2ccccc2c1 261430 WVNIXXVQFKJYRE-UDWIEESQSA-N 306.369 2.741 50 40 DFGB CC(=O)n1cc(/C=N/NC(=O)c2cccc(O)c2)c2ccccc21 235400 HACREOOQDAHITN-VXLYETTFSA-N 321.336 2.771 50 40 DFGB CN1C(=O)[C@H](Br)[C@H](Br)c2ccccc21 1700648 GLGCGJOOASZSEV-RKDXNWHRSA-N 318.996 2.863 50 40 DFGB CCCCc1ccc2c(c1)C(=O)C(=O)N2CCBr 9426236 XJIRUJNIRUXOJE-UHFFFAOYSA-N 310.191 2.953 50 40 DFGB CN(C)c1ccc(/C=N\NC(=O)COc2cccc(Cl)c2)o1 38823296 SFOUDMLBHNMDPM-MFOYZWKCSA-N 321.764 2.528 50 40 DFGB Cc1ccc(C)c(S(=O)(=O)N(CCCl)CCCl)c1 1688706 YCGKJBXTAQNFOS-UHFFFAOYSA-N 310.246 2.772 50 40 DFGB C/C(=N\NC(=O)c1ccc2c(c1)OCO2)[C@@H]1C[C@H]2CC[C@@H]1C2 5020674 VJIXRXXKKDRDGL-VYOHEHEJSA-N 300.358 2.957 50 40 DFGB Cc1n[nH]c(C)c1NC(=O)c1ccccc1NC(=O)[C@H](C)Cl 14404779 PYGVBYSGQMOHNR-QMMMGPOBSA-N 320.780 2.845 50 40 DFGB Cc1ccc(C)c(C2=C(C#N)C(N)=C(C#N)C3=CCN(C)C[C@H]32)c1 43582 RTCWLUVDXRNGIS-GOSISDBHSA-N 316.408 2.819 50 40 DFGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(F)ccc1F 125499 UITJFFNOYOQVNC-CQSZACIVSA-N 302.280 2.780 50 40 DFGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)C1[C@@H]2CCCC[C@@H]12 105902557 DHBMXVUKGKAHII-FXCYLHMPSA-N 316.445 2.786 50 40 DFGB O=C1OC(=O)C23Cc4ccccc4CC12Cc1ccccc1C3 68568733 FPBWXLBPUSJABF-UHFFFAOYSA-N 304.345 2.640 50 40 DFGB NNC(=O)/C=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 226257480 SVUHNPLWSNVVRQ-ZZXKWVIFSA-N 307.693 2.511 50 40 DFGB Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1ccccn1 227985 DGVUJVWHTCCTTO-UDWIEESQSA-N 319.368 2.648 50 40 DFGB CCOc1ccc(/C=N/NC(=O)CNc2cccc(C)c2)cc1 58665 WYAGAZMVUAOIAO-UDWIEESQSA-N 311.385 2.956 50 40 DFGB N=C(CSc1ccc(Cl)cc1)NNC(=O)c1ccncc1 2512154 XZVHNYUSNHGUGE-UHFFFAOYSA-N 320.805 2.739 50 40 DFGB Cc1cc(/C=C(/C#N)S(C)(=O)=O)cc(C)c1OC(F)F 96765754 JJYQZZCDNZUOCH-WDZFZDKYSA-N 301.314 2.814 50 40 DFGB O=C(N/N=C\c1ccc(Br)cc1)c1ccc(O)cc1 33285221 NTCZEIJENYPNKE-SXGWCWSVSA-N 319.158 2.919 50 40 DFGB COc1ccc(CC(=O)N/N=C\c2ccc(C)cc2)cc1OC 33363563 TXZFQCRUBVZNHL-UNOMPAQXSA-N 312.369 2.705 50 40 DFGB CCOC(=O)/C(C#N)=C/[CH-]C(=C(C#N)C#N)c1ccc(OC)cc1 100955276 NRLICRPMDIXIQL-MKMNVTDBSA-N 320.328 2.713 50 40 DFGB COc1ccc(C(=O)NNC(=O)Nc2ccccc2Cl)cc1 7003258 DQIFQHYYRCPLBM-UHFFFAOYSA-N 319.748 2.815 50 40 DFGB CCOC(=O)/C(C#N)=C/C=C(\C(=C=N)C#N)c1ccc(OC)cc1 409415810 STQDXINAFVXASA-LBOIKMCRSA-N 321.336 2.790 50 40 DFGB Cc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1[N+](=O)[O-] 409242969 XDFZRCNFGHRDOF-ZDLGFXPLSA-N 315.304 2.735 50 40 DFGB COC(=O)c1ccc(-c2ccc(/C=N/NC(C)=O)o2)c(C)c1 409013277 MPQDZQRPXDYNKE-RQZCQDPDSA-N 300.314 2.512 50 40 DFGB O=C(N/N=C\c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1O 408918383 JUPHOLKYOKWMNR-PXNMLYILSA-N 319.704 2.718 50 40 DFGB O=C(CCl)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 72226419 NFCKNGYDIKJPQV-UHFFFAOYSA-N 305.683 2.555 50 40 DFGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(O)cc2)cc1 485187 UOJWHTIQXSWANW-WOJGMQOQSA-N 311.341 2.505 50 40 DFGB CCOc1ccc(C(=O)N/N=C\c2ccccc2O)cc1OC 6355556 CRAKYKRZEZGYPM-WQRHYEAKSA-N 314.341 2.563 50 40 DFGB O=C(CCl)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 1707461 JUVOZCCEWCRLMX-OAHLLOKOSA-N 316.788 2.591 50 40 DFGB O=C1C=CC(=O)N1c1ccc(OC(F)(F)[C@H](F)Cl)cc1 5016497 RDMTYYYBADNKHM-NSHDSACASA-N 305.639 2.622 50 40 DFGB O=C(N/N=C/c1cccnc1)c1ccc(Br)cc1 5003384 VPIOBXSOYPIULO-CXUHLZMHSA-N 304.147 2.608 50 40 DFGB COc1ccc(C(=O)N/N=C/c2ccccc2Cl)c(O)c1 409393186 VHJULBCETSBSCE-RQZCQDPDSA-N 304.733 2.818 50 40 DFGB COc1ccc(/C(C)=N/NC(=O)CNc2ccc(F)cc2)cc1 33957421 BTXKGOYMHJQWSA-UDWIEESQSA-N 315.348 2.787 50 40 DFGB C/C(Cc1ccccc1)=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1 5725172 DMAOZBOHOARUFL-AQTBWJFISA-N 311.341 2.872 50 40 DFGB O=C(N/N=C/c1ccc(N2CCCC2)cc1)c1ccccc1O 573886 DDOIGOJCYXQWOK-CPNJWEJPSA-N 309.369 2.756 50 40 DFGB Cc1cc(-n2c(C)cc(C(=O)NN)c2C)ccc1Br 223704680 CFZQBLAPZFXTRH-UHFFFAOYSA-N 322.206 2.769 50 40 DFGB COc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1Br 7164063 OZLZWXRJLNXLGI-UXBLZVDNSA-N 321.174 2.643 50 40 DFGB Cc1c(/C=N/NC(=O)[C@@H](O)c2ccccc2)c2ccccc2n1C 265175 VYRZASCAOQQKCR-TYJAPOHBSA-N 321.380 2.670 50 40 DFGB O=C(NNC1=NC2(CCCC2)Cc2ccccc21)c1ccncc1 73324 GLPIEQLTXJBROA-UHFFFAOYSA-N 320.396 2.632 50 40 DFGB COc1cccc(/C=N/NC(=O)c2ccccc2Cl)c1O 231715 GQBOCWLGDDOZLP-RQZCQDPDSA-N 304.733 2.818 50 40 DFGB C/C=C1\CN2CC[C@]34C(=C(C=O)[C@H]1C[C@H]23)Nc1c(O)cccc14 55065569 JDOFCMASVRMYJU-LUYOKFDMSA-N 308.381 2.563 50 40 DFGB C=C(C#N)[C@H](O)/C(=N\Nc1ccccc1)C(=O)c1ccccc1 96319118 BVDSSCGREDPYML-QFGIDJEJSA-N 305.337 2.778 50 40 DFGB Cc1ccc(-c2csc(NNC(=O)c3csnn3)n2)cc1 1417062 BMTKRTFSLUAYFD-UHFFFAOYSA-N 317.399 2.727 50 40 DFGB O=C(N/N=C1\CCCc2[nH]c3ccc(F)cc3c21)[C@H]1CCCO1 43974681 WJTLPIBTSJLPSB-NPQOUYBPSA-N 315.348 2.643 50 40 DFGB COC(=O)[C@H](I)[C@@H](Cl)c1ccccc1 1832956 ARQOPTLFVQENIV-DTWKUNHWSA-N 324.545 2.943 50 40 DFGB O=C(NNC(=S)NC1CCCCC1)c1cccc(Cl)c1 4549472 FMDLIAQYHXRGEC-UHFFFAOYSA-N 311.838 2.782 50 40 DFGB C#CCOc1c(C=C(C#N)C#N)cc(Br)cc1OC 408817335 WBZQFZOZDJPHRX-UHFFFAOYSA-N 317.142 2.900 50 40 DFGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccnc2)[C@H]2CCCC=C12 19806035 SKHUSYJUUFUCRA-GOEBONIOSA-N 301.353 2.675 50 40 DFGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(F)cc1 238237 YNKZZEAFFTVAFS-VXLYETTFSA-N 300.333 2.972 50 40 DFGB CCc1cccc2c(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c[nH]c12 6959361 LEKFFZKHHNKIGA-SCZPIIQISA-N 323.396 2.932 50 40 DFGB CNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OC)cc2)c1C 6961763 HRNYRMMDKFUVJU-GDNBJRDFSA-N 309.369 2.756 50 40 DFGB Cc1n[nH]c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 32576821 BXEODNANPYHAHP-GFCCVEGCSA-N 320.274 2.955 50 40 DFGB Cn1cc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c2ccccc21 493477 VJILKMNPFQGGEW-VCHYOVAHSA-N 322.324 2.850 50 40 DFGB Nc1ccc(C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 3261221 BCCJVAJULHPTIH-CAOOACKPSA-N 318.720 2.594 50 40 DFGB CC/C(=N\NC(=O)c1cc(OC)cc(OC)c1)c1ccco1 8811236 MDOCEMRYLAZDHU-SAPNQHFASA-N 302.330 2.841 50 40 DFGB Cc1cc(C)c(OCC(=O)NN=C(CCl)CCl)c(C)c1 100244341 YOQOLBUPLQYDEH-UHFFFAOYSA-N 317.216 2.940 50 40 DFGB N#C/C(=C/c1cccc(O)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 59133143 UBKVMFGGUADZHB-GHXNOFRVSA-N 309.281 2.846 50 40 DFGB C[C@H]1Cc2cc(/C=C(\C#N)C(=O)NCc3cccnc3)ccc2O1 5376726 SPZQHFAAYQYSHG-YRUBURHZSA-N 319.364 2.628 50 40 DFGB COc1ccc(Cl)cc1/C=C(\C#N)C(=O)NC[C@@H]1CCCO1 4590279 MPDYZUCGQGYIHJ-GMMCIKNFSA-N 320.776 2.551 50 40 DFGB O=C(N/N=C/c1c[nH]nc1-c1ccccc1)c1ccccc1O 4786372 KHRDRLYCBAFTTJ-YBFXNURJSA-N 306.325 2.546 50 40 DFGB CC/C(=N\NC(=O)C(C)(C)O)c1ccc(Br)s1 32578436 MZRWPGGIMJCRES-NTUHNPAUSA-N 319.224 2.512 50 40 DFGB N#C/C(=C/c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(O)cc1 33382555 QNLQBNQIWKQQBF-LCYFTJDESA-N 322.320 2.709 50 40 DFGB N#CC1=C(N)n2c(nc3ccccc32)N[C@@H]1c1cccc(F)c1 20086159 SACRIWJKASNMNG-OAHLLOKOSA-N 305.316 2.993 50 40 DFGB Cc1c(/C=C(\C#N)C(=O)N(C)Cc2cccs2)cc(C#N)n1C 25675913 RJDWFSNWGQXLCN-VGOFMYFVSA-N 324.409 2.832 50 40 DFGB COc1cccc(/C=N/NC(=O)NC2CCCCC2)c1OC 3221100 CYANTBHSTKSQAN-GZTJUZNOSA-N 305.378 2.670 50 40 DFGB CCCCC[C@@H]1[C@H](O)CC[C@@H]1CC(=O)N/N=C/c1cccnc1 13563640 DHFFALMXWOZKCL-CWFPGYMASA-N 317.433 2.889 50 40 DFGB NC(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1 17371874 NVMLLQHPGOZUEE-GIJQJNRQSA-N 303.749 2.921 50 40 DFGB Cc1ccc(NCC(=O)N/N=C/c2cc(Cl)ccc2O)cc1 223226 NFEFHAOGLBSXBN-DJKKODMXSA-N 317.776 2.916 50 40 DFGB CCN(CC)C(=O)CSC(Nc1ccccc1)=C(C#N)C#N 6386811 XIQSIFFMOKDDKC-UHFFFAOYSA-N 314.414 2.959 50 40 DFGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2)ccc1OC 57787132 DJBITGGWOKKWBO-UDWIEESQSA-N 323.352 2.729 50 40 DFGB O=C(CSc1ccccc1)N/N=C/c1ccccc1C(=O)O 20246283 PZKZEAAIMDOTAI-LICLKQGHSA-N 314.366 2.627 50 40 DFGB CC/C(Cc1ccccc1)=N/NC(=O)Cn1nc2ccccc2n1 5414322 KKEZFMRXRUEMCR-CYVLTUHYSA-N 321.384 2.556 50 40 DFGB COc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)c1 409245095 NIMIBXQCTCAJKP-ODLFYWEKSA-N 300.333 2.836 50 40 DFGB CC(C)(C)OC(=O)N1CCC[C@@H](N(C(=O)CCl)C2CC2)C1 79392586 LAYMXMYMEIJACN-GFCCVEGCSA-N 316.829 2.616 50 40 DFGB CC(C)(C)OC(=O)N1CCCC[C@H]1Cn1cc(CCl)nn1 575415096 AXDDPPAVJQZXIL-LBPRGKRZSA-N 314.817 2.807 50 40 DFGB COc1ccccc1OCC(=O)N/N=C(\C)c1ccc(F)cc1 5725289 UACGCPUOOIKHFW-XDHOZWIPSA-N 316.332 2.754 50 40 DFGB CN(C)c1ccc(C=NNC(=O)c2cccc3cc[nH]c23)cc1 13110493 CTOKMIQHFQQZTC-UHFFFAOYSA-N 306.369 2.998 50 40 DFGB Cc1cc(/C=N/NC(=O)c2ccncc2)c(C)n1CC(F)(F)F 3186889 PASHUKJAFXBUSA-DNTJNYDQSA-N 324.306 2.826 50 40 DFGB O=C(CCC(=O)OC(CCl)CCl)Nc1ccccc1F 2750750 MPIUKBHHTSCQMG-UHFFFAOYSA-N 322.163 2.934 50 40 DFGB O=C(CN1C(=O)c2cccc3cccc1c23)NN=C1CCCC1 108904659 CWAKPZZFSVHZRI-UHFFFAOYSA-N 307.353 2.846 50 40 DFGB O=C(NNc1cccc(Cl)c1)[C@H]1CC(c2ccccc2)=NO1 56422458 VRDLELYVWDCYCW-OAHLLOKOSA-N 315.760 2.976 50 40 DFGB COc1cccc(CC(=O)N/N=C\c2cc(C)c(O)c(C)c2)c1 108064912 WIZLEKRQQLLTDU-ODLFYWEKSA-N 312.369 2.710 50 40 DFGB COc1ccc(C=NNC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 23397254 TYYPDKUMNWGUSF-CQSZACIVSA-N 312.369 2.921 50 40 DFGB COc1ccc(/C(C)=N/NC(=O)[C@H]2CC23CCC3)c(OC)c1 13475873 QIJFAXWSXOUEQJ-XWAFYUISSA-N 302.374 2.734 50 40 DFGB CCSC1=C(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)CC(=O)N1 6265697 LSTOEXRFQJJFRK-LLVKDONJSA-N 303.343 2.687 50 40 DFGB O=C(NNC(=O)c1ccco1)c1ccc2c(c1)-c1ccccc1C2 9386524 OIOVANORAYJOHV-UHFFFAOYSA-N 318.332 2.926 50 40 DFGB O=C(Cl)[C@H]1CC(=O)N(c2ccc(N3CCCCC3)cc2)C1 45954061 UBZVQAZHVDRCOE-LBPRGKRZSA-N 306.793 2.795 50 40 DFGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Cl)c1cccc(O)c1 83331423 VRCUXGRYAJXYAU-PXNMLYILSA-N 319.704 2.718 50 40 DFGB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H](C)Cl)CC1 13609390 HCIKOOJXUXHGQG-LLVKDONJSA-N 301.217 2.924 50 40 DFGB CC(C)(C)c1[nH]nc2c1[C@H](c1ccsc1)C(C#N)=C(N)O2 13151290 NSBXVNGFYPNCIY-SNVBAGLBSA-N 300.387 2.987 50 40 DFGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1cccc2ccccc12 16693960 DYJCVSKQUUZABM-WJDWOHSUSA-N 317.348 2.974 50 40 DFGB COC(=O)c1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1 30809132 MIKCAIZIPIAKCZ-ODLFYWEKSA-N 322.320 2.983 50 40 DFGB CCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)C(C#N)=C(N)O1 8783440 ROFAGNPRXSBSBT-CYBMUJFWSA-N 320.295 2.610 50 40 DFGB Cc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccccc2F)c1O 36206873 DOVJHPSUCHBGCB-CAOOACKPSA-N 317.276 2.512 50 40 DFGB CCCc1[nH]nc2c1[C@H](c1ccccc1OCC)C(C#N)=C(N)O2 5052174 LQVJZDWTGCAAAV-OAHLLOKOSA-N 324.384 2.979 50 40 DFGB O=C(NNC(=O)C1[C@H]2CCCC[C@@H]12)Nc1ccc(Cl)cc1 18029001 IQWDRLAUZYRKPL-FUNVUKJBSA-N 307.781 2.929 50 40 DFGB CCCCC(=O)Nc1ccc(N2C[C@@H](C(=O)Cl)CC2=O)cc1 45953876 ALPYPECSRXEIEP-NSHDSACASA-N 322.792 2.934 50 40 DFGB O=C1c2cc(Br)cc(F)c2O[C@H]1Br 169797327 UBNAIVOIZHVWHY-MRVPVSSYSA-N 309.916 2.884 50 40 DFGB NC(=O)N/N=C(\c1ccccc1)c1ccc(Br)cc1 16450742 PDYFQZOBZORBLN-GHRIWEEISA-N 318.174 2.870 50 40 DFGB Cc1occc1C(=O)NNC(=O)N[C@@H](c1ccccc1)C1CC1 23109035 GETDDWUJLRHXGG-HNNXBMFYSA-N 313.357 2.683 50 40 DFGB Cc1cc(C)nc(NNC(=O)CCc2c[nH]c3ccccc23)n1 11333785 QANVHIWJDCFRHD-UHFFFAOYSA-N 309.373 2.651 50 40 DFGB C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc(O)c(O)c1 62787717 UGMWCWVDEWGSFI-ACIMENLPSA-N 310.353 2.742 50 40 DFGB COc1cc(C(=O)N/N=C/c2cccs2)cc(OC)c1OC 61726 QDHZYFBIOPTBAE-CXUHLZMHSA-N 320.370 2.538 50 40 DFGB Cc1ccc(O)c(/C=N/NC(=O)COc2ccc(Cl)cc2)c1 356824 XVXVDBMSRXILOY-GIJQJNRQSA-N 318.760 2.883 50 40 DFGB Cn1cccc1C(=O)N/N=C/C1=Cc2cc(Cl)ccc2OC1 54293518 BWYKVLOCNDBTIK-GIJQJNRQSA-N 315.760 2.870 50 40 DFGB Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(C)c1O 7893442 SJRVUKCVBJUPEB-RQZCQDPDSA-N 313.313 2.681 50 40 DFGB CCNC(=O)/C(C#N)=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 26964729 KZTONVGVGBPZQL-LUAWRHEFSA-N 311.297 2.898 50 40 DFGB CC(C)N(C(=O)CCl)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 79392550 JGBZRLFOASTHIB-LBPRGKRZSA-N 318.845 2.862 50 40 DFGB CCCc1n[nH]c2c1[C@@H](c1ccc(OCC)cc1)C(C#N)=C(N)O2 5051876 XGEYSAPQYLCZRJ-HNNXBMFYSA-N 324.384 2.979 50 40 DFGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C\c1ccc([N+](=O)[O-])cc1 100921340 KPAJWYDGZZITBI-LKMYFCJFSA-N 301.346 2.871 50 40 DFGB N#C/C(=C/c1ccc(OCC(=O)O)cc1)c1ccc2c(c1)OCO2 409366420 UYMLOVFLYXHLGY-AUWJEWJLSA-N 323.304 2.943 50 40 DFGB N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccc(F)cc1)OCO3 78546990 XBZBJZKYFJMYMI-MRXNPFEDSA-N 310.284 2.773 50 40 DFGB COc1ccc(/C=C(\C#N)c2nnc(/N=C/N(C)C)s2)cc1 100913287 OAKBGUSIAKRBPG-PGHFANGISA-N 313.386 2.832 50 40 DFGB CCn1ccnc1[P@@](=O)(c1ccccc1)N1CCCCC1 101914515 RXWKCLXQCCVYQL-NRFANRHFSA-N 303.346 2.618 50 40 DFGB C/C(=N\NC(=O)c1ccc2ccccc2n1)c1ccc(N)cc1 58948100 BSGBEQKGXAVMOA-CIAFOILYSA-N 304.353 2.971 50 40 DFGB C/C(=N\NC(=O)[C@@H](O)c1ccccc1)c1ccc(Cl)cc1 4599451 ZMILIADUPZFCAW-LZNAANCOSA-N 302.761 2.914 50 40 DFGB C/C(=N/NC(=O)C1CCCCC1)c1ccc2c(c1)OCCO2 4525656 LALAYFPRTOZKIF-PDGQHHTCSA-N 302.374 2.878 50 40 DFGB CCN1C(=O)C(C#N)=C(C)/C(=C/C2=Cc3ccccc3OC2)C1=O 5562514 BRZLFVDGUXDYQE-DHDCSXOGSA-N 320.348 2.618 50 40 DFGB CN(C)c1ccc(/C=N/NC(=O)CCSc2ccccc2)o1 408994164 GRFSHBUMUWDEOE-SFQUDFHCSA-N 317.414 2.978 50 40 DFGB COc1ccc(/C=C(\C#N)C(N)=O)c(Cc2ccccc2F)c1 408866571 GXWWZTGQAYSGFL-OVCLIPMQSA-N 310.328 2.817 50 40 DFGB CCCC(=O)Nc1cccc(N2C[C@H](C(=O)Cl)CC2=O)c1 45953945 MLJFOMQCGHXLDE-SNVBAGLBSA-N 308.765 2.544 50 40 DFGB CCOC(=O)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1 179187 OROPKURTKMZCSU-CXUHLZMHSA-N 302.286 2.725 50 40 DFGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1 6626689 ZZIVORONJNLKRK-GXDHUFHOSA-N 322.320 2.724 50 40 DFGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccccn1 7993665 FZENZIGCEFNMMW-RQZCQDPDSA-N 305.790 2.977 50 40 DFGB CCOc1ccc(/C(CC)=N/NC(=O)c2cc(C)n[nH]2)cc1 4994151 YGQXFCBJNRDFRB-NBVRZTHBSA-N 300.362 2.661 50 40 DFGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)s1 377660 IICGKHBVRHVZSY-LLVKDONJSA-N 310.762 2.656 50 40 DFGB O=C(CBr)c1ccc(Br)c([N+](=O)[O-])c1 24737829 WMSIUGXDLWVWIG-UHFFFAOYSA-N 322.940 2.935 50 40 DFGB N#Cc1ccc(C(=O)NNc2c(F)c(F)cc(F)c2F)cc1 2651350 HITKLFRRJWEDOV-UHFFFAOYSA-N 309.222 2.872 50 40 DFGB Cc1ccc(C(=O)N/N=C/c2ccc(O)c(Br)c2)o1 1091264 QTFBQBRRMUYSOK-VIZOYTHASA-N 323.146 2.820 50 40 DFGB N#C/C(=C\c1ccc(N2CCCC2)o1)C(=O)NCc1ccco1 2807607 FESDQGRENMSUNO-JLHYYAGUSA-N 311.341 2.696 50 40 DFGB CC(C)[C@@H](Br)C(=O)Nc1cc([N+](=O)[O-])ccc1O 61997501 CZEJODLQFVTMID-SNVBAGLBSA-N 317.139 2.658 50 40 DFGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2O)o1 408994118 GFEGWIHRCOGWRS-GZTJUZNOSA-N 301.346 2.595 50 40 DFGB COc1ccc(Cl)cc1/C=C(\C#N)C(=O)NC[C@H]1CCCO1 4590282 MPDYZUCGQGYIHJ-WEKMIXOTSA-N 320.776 2.551 50 40 DFGB N#CCOc1ccccc1/C=N/NC(=O)CCc1ccccc1 15227542 CUJQVALFYTZSET-XSFVSMFZSA-N 307.353 2.672 50 40 DFGB COc1ccc(C(=O)N/N=C/c2sccc2C)cc1OC 3474679 IADJTSYQEHGMLJ-CXUHLZMHSA-N 304.371 2.838 50 40 DFGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1 13345026 ZEQVRBNVVACWND-JLHYYAGUSA-N 322.320 2.939 50 40 DFGB N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)NC[C@@H]1CCCO1 37472 RMFHJEFYUHZBKF-GMMCIKNFSA-N 324.302 2.908 50 40 DFGB CCSC1=C(C#N)[C@H](c2ccc(OC)c(OC)c2)CC(=O)N1 181210 VRHRTIGJQZCFEL-NSHDSACASA-N 318.398 2.796 50 40 DFGB CC/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(O)cc1 15938759 SHDVLZTWDHUMNE-NBVRZTHBSA-N 312.325 2.665 50 40 DFGB CC(=O)Oc1cccc(/C=C(\C#N)C(=O)NCc2ccccc2)c1 408755822 WJBWQXZGBWJZSQ-LICLKQGHSA-N 320.348 2.835 50 40 DFGB COc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)c(O)c1 409393542 YFLCEMQDBPBFBY-RQZCQDPDSA-N 304.733 2.818 50 40 DFGB CN(C)c1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1 15219786 JUJQZMRCAMHVJH-ATVHPVEESA-N 305.381 2.976 50 40 DFGB O=C(Cc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1 100573264 GLDICASPVYQGJH-XDHOZWIPSA-N 305.337 2.633 50 40 DFGB biogenic O=C(N/N=C/c1cc(Br)ccc1F)c1ccccn1 232314 OOXYGLGIXLMTJL-CAOOACKPSA-N 322.137 2.747 50 40 DFGB CN(C)C(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 59333541 YAWTYQZWUWGVHU-FMIVXFBMSA-N 311.297 2.850 50 40 DFGB Cc1ccc(C(=O)NNC(=O)CCc2c[nH]c3ccccc23)cc1 3398611 AUVNLDWGCFCBTN-UHFFFAOYSA-N 321.380 2.870 50 40 DFGB CCOc1ccccc1OCC(=O)N/N=C(\C)c1ccc(C)o1 4724243 RHUPDMGDNFBHKC-QGOAFFKASA-N 316.357 2.906 50 40 DFGB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1NC(=O)CCCl 408973854 CDPQYWAPGNZBIW-UHFFFAOYSA-N 322.752 2.965 50 40 DFGB CCC[C@@H](C(=O)NN)N1c2cc(OC)ccc2[C@@H](C)CC1(C)C 223222214 LDSIXLXEZFOPNG-WFASDCNBSA-N 319.449 2.946 50 40 DFGB Cc1ccccc1[C@H]1C(C#N)=C(N)N(N(C)C)C2=C1C(=O)CCC2 72356 DHZZGVCSMSVLRV-KRWDZBQOSA-N 322.412 2.572 50 40 DFGB CCCCCCCCNC(=S)NNC(=O)c1ccccc1O 100980437 RMYPASQADVKFCU-UHFFFAOYSA-N 323.462 2.862 50 40 DFGB CCCc1[nH]nc2c1[C@@H](c1ccccc1OC)C(C#N)=C(N)O2 4114865 KPJRRWCLHUKDJO-AWEZNQCLSA-N 310.357 2.589 50 40 DFGB COC(=O)c1ccc(/C=N/NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 5526428 BTUTZQCSYLDOAN-QWSZEGLUSA-N 322.364 2.727 50 40 DFGB O=C(O)CC/C(=N\NC(=O)c1ccccc1F)c1ccccc1 5680227 XAUYUCIWFLVLRJ-XDJHFCHBSA-N 314.316 2.825 50 40 DFGB Nc1cc(N)nc(SCCCCCCBr)n1 71775400 ILGRMMQOCXKUEL-UHFFFAOYSA-N 305.245 2.688 50 40 DFGB COCCOC(=O)/C(C#N)=C/c1ccc(N2CCCC2)cc1C 408959704 DNVUNIDQWPYYLH-FOWTUZBSSA-N 314.385 2.692 50 40 DFGB CCOc1cc(/C=N/NC(=O)c2cccs2)ccc1OC 5464295 FHONBHAMXSVDCU-MHWRWJLKSA-N 304.371 2.919 50 40 DFGB O=C(CCl)N[C@@H]([C@H]1CCCCC1=O)C(Cl)(Cl)Cl 278436 CKHMIEINFVLYOP-RCOVLWMOSA-N 321.031 2.840 50 40 DFGB CCc1sc(C(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1C 106523197 VCACSEVYVLREEX-SRVKXCTJSA-N 306.431 2.816 50 40 DFGB CC(C)(C)OC(=O)NNC(=O)c1cccc(Br)c1 2051685 YKUOQSOOPZJHFD-UHFFFAOYSA-N 315.167 2.619 50 40 DFGB Cc1ccc(O)c(/C=N\NC(=O)COc2cccc(C)c2C)c1 13942093 GVLBWRKVMGHJTK-GRSHGNNSSA-N 312.369 2.847 50 40 DFGB Cc1cccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c1C 8851181 NYDIUAXUROPNKV-UHFFFAOYSA-N 321.380 2.788 50 40 DFGB CC(C)N(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)CCl 79392544 WJZPXQIXMMWSPI-GFCCVEGCSA-N 318.845 2.719 50 40 DFGB COc1ccc(NCC(=O)N/N=C/c2c[nH]c3ccccc23)cc1 5325007 YOPSANGVIFGAFJ-SRZZPIQSSA-N 322.368 2.739 50 40 DFGB N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1ccsc1 33444 MTPLAKVYWSDDMG-ZDUSSCGKSA-N 321.361 2.808 50 40 DFGB CSc1ccc(Cl)c(C(=O)OCC(=O)/C(C#N)=C(/C)N)c1 104564322 NZACKKKJPUVGQT-FLIBITNWSA-N 324.789 2.544 50 40 DFGB COc1ccc([C@H]2[C@H]3CCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 42423 WCHAKJWMMRWZLX-RDJZCZTQSA-N 316.364 2.899 50 40 DFGB C/C=C1/CN2CC[C@]34C(=C(C=O)[C@@H]1C[C@H]23)Nc1c(O)cccc14 101150018 JDOFCMASVRMYJU-IDFZCMMQSA-N 308.381 2.563 50 40 DFGB Cc1occc1C(=O)N/N=C\c1cc([N+](=O)[O-])ccc1Cl 4656862 FOEKVTYPVNDMPJ-CHHVJCJISA-N 307.693 2.914 50 40 DFGB CCOc1cc(/C=N\NC(=O)c2ccc(C)nc2)ccc1OC 30721644 VKTGPUSAZANXDN-GRSHGNNSSA-N 313.357 2.561 50 40 DFGB COc1ccc(OC)c(/C=N/NC(=O)Cc2ccc(C)cc2)c1 220935 FASANCUEPKTPEE-XDHOZWIPSA-N 312.369 2.705 50 40 DFGB O=C(NNC(=O)c1ccc(O)cc1)Nc1cccc(Cl)c1 3194219 JTDGFYAYBKNQDJ-UHFFFAOYSA-N 305.721 2.512 50 40 DFGB Cc1occc1C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2 5823831 LOGZOFIOLLJFHY-SECBINFHSA-N 318.398 2.849 50 40 DFGB O=C(Cc1cn2ccsc2n1)NNc1cccc(Cl)c1 67848825 QBEYQABLORMHPI-UHFFFAOYSA-N 306.778 2.735 50 40 DFGB CCOc1cc([C@H]2CC(=O)NC(SCC)=C2C#N)ccc1O 8994969 RIIWFUFDUQJMPA-LLVKDONJSA-N 318.398 2.883 50 40 DFGB COc1ccc(CCNC(=O)/C(C#N)=C\c2occc2C)cc1 98056057 WGFMYARHJBJGAU-PTNGSMBKSA-N 310.353 2.863 50 40 DFGB Cn1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 408599570 WNGMRYZKGISUFJ-VCHYOVAHSA-N 322.324 2.850 50 40 DFGB COc1cccc2c1N([C@H](C(=O)NN)C(C)C)C(C)(C)C[C@H]2C 260621814 PEHXGDXGBWKFFI-DOMZBBRYSA-N 319.449 2.802 50 40 DFGB CN(C)/N=C1/C(=O)N(CCCl)c2cc(Cl)c(Cl)cc21 17062279 CHQDPAVMKMPBFG-LFIBNONCSA-N 320.607 2.845 50 40 DFGB CC(=O)[C@@H]1C/C(=N\NC(N)=O)[C@@H](C)[C@H](Cc2ccccc2)C1 36056572 BHPBRBNOQRVGTP-ANNYNOFMSA-N 301.390 2.505 50 40 DFGB O=C(O)c1ccc(/C=N/NC(=O)c2cc3ccccc3o2)cc1 573844 VXUDRFPTUGJXMB-VCHYOVAHSA-N 308.293 2.895 50 40 DFGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccnc2)[C@@H]2CCCC=C12 19806037 SKHUSYJUUFUCRA-GDBMZVCRSA-N 301.353 2.675 50 40 DFGB CCOc1ccccc1/C=N/NC(=O)COc1ccc(F)cc1 58570 ZOWXHHCVNJNVDT-YBFXNURJSA-N 316.332 2.754 50 40 DFGB BrC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 95698605 VHULEDHHYJBFPF-ZDUSSCGKSA-N 307.191 2.940 50 40 DFGB in-vitro O=c1c2ccccc2c(=O)n2n1[P@](Cl)C[P@@]2Cl 104267070 GDKFQEGPAOGXBL-IRXDYDNUSA-N 307.013 2.932 50 40 DFGB CO[C@@]12c3ccccc3-c3ccccc3[C@H]1[C@H]1C(=O)OC(=O)[C@@H]12 104210346 JVUYITYOPQCFKX-OLMMMNRUSA-N 306.317 2.622 50 40 DFGB C[C@H](/C=N/NC(=O)c1ccc2c(c1)OCCO2)c1ccccc1 4811794 YDKYSCXLUQPLGX-KZKLBEMASA-N 310.353 2.977 50 40 DFGB Cc1ccc(C(=O)N/N=C/c2ccc(OC(C)C)cc2O)o1 408588871 KHKRTZTXEAQGDX-RQZCQDPDSA-N 302.330 2.845 50 40 DFGB O=C(CBr)Nc1cccc(NC(=O)c2ccco2)c1 35605459 DVRUTAHFTFTWKW-UHFFFAOYSA-N 323.146 2.865 50 40 DFGB N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(N)=O 306786 XYPLEIHAFHVJHE-WEVVVXLNSA-N 317.688 2.900 50 40 DFGB COc1ccc(OC)c(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)c1 16606257 NLJBFDQRIPHXFJ-WXJBYKQOSA-N 316.401 2.980 50 40 DFGB O=C(O)C12C[C@@H]3CC(C[C@@H](C3)C1)[C@@H]2I 108424437 HZXLRVWAEPTHFW-FNPGPVBOSA-N 306.143 2.701 50 40 DFGB CCOC(=O)NNC(=O)c1sc(-c2ccsc2)nc1C 12614401 YTPJEMWLKAHFJX-UHFFFAOYSA-N 311.388 2.571 50 40 DFGB N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 4175591 QFLXHXVRNKVKBH-FMIVXFBMSA-N 309.281 2.846 50 40 DFGB CCOc1ccc(C(=O)NN=C2CCN(C(C)C)CC2)cc1 5906982 ODXXPQIRJPLJQX-UHFFFAOYSA-N 303.406 2.675 50 40 DFGB CN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@@H]1NC(=O)CCl 79408788 OTJWCHLUGYWWIY-QWRGUYRKSA-N 304.818 2.520 50 40 DFGB O=C(N/N=C\c1cc(Br)cs1)c1ccccn1 15930520 KCESMUCKMVDDLS-NSIKDUERSA-N 310.176 2.670 50 40 DFGB COc1cc(/C=N/NC(=O)c2cc3ccccc3[nH]2)ccc1O 501083 JPUYNZUUPSYIJB-VCHYOVAHSA-N 309.325 2.646 50 40 DFGB O=C1OC(=O)c2ccccc2/C1=C\Nc1ccc2c(c1)OCO2 102840339 VGMAUSSELVLZKH-MDWZMJQESA-N 309.277 2.565 50 40 DFGB C[C@@H](Cl)C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F 2635295 GQLDIJLGGGBPED-MRVPVSSYSA-N 322.714 2.730 50 40 DFGB CCOC(=O)/C(C#N)=C/Nc1nc(CN2CCCCC2)cs1 6881678 BNEJLMONWMZVLJ-FMIVXFBMSA-N 320.418 2.511 50 40 DFGB Cc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1 3008792 LRXIKTUVMCCPLA-VCHYOVAHSA-N 315.760 2.737 50 40 DFGB Cc1cc(C(=O)N/N=C/c2c(Cl)nc3ccccn23)c(C)o1 3168839 AAFSLRZLSPGXQG-CAOOACKPSA-N 316.748 2.961 50 40 DFGB O=CC1=C(N2CCOCC2)/C(=C/c2ccc([N+](=O)[O-])cc2)CC1 3195511 PENJXXCAZORCIP-SDNWHVSQSA-N 314.341 2.557 50 40 DFGB Cc1cc(/C=N/NC(N)=O)c(C)n1-c1ccc2ncccc2c1 408964564 DQPZSWSNJHITFL-KEBDBYFISA-N 307.357 2.645 50 40 DFGB COc1ccc(/C(C)=N/NC(=O)[C@@H](OC)c2ccccc2)cc1 20248476 VBEDXFCSCPDYGH-AMRJIULGSA-N 312.369 2.923 50 40 DFGB CCn1c(C)cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1C 409095910 ITUOZFXJLQUXND-LICLKQGHSA-N 314.345 2.797 50 40 DFGB CC(C)(C)OC(=O)NN[C@@H](c1ccc(F)cc1)C1CCNCC1 228966500 FANBREFQRJSNMF-HNNXBMFYSA-N 323.412 2.896 50 40 DFGB CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)CC#N)cc1OC 8195985 JTHYGXICLNFLIA-SVXRXWARSA-N 323.780 2.890 50 40 DFGB NC(=O)c1sc(-c2ccc(F)cc2)cc1NC(=O)CCl 159976 WWKVAQYESJREQU-UHFFFAOYSA-N 312.753 2.830 50 40 DFGB O=C(N/N=C\C=C\c1ccco1)c1cncc(Br)c1 13563749 SAOQXKSHTOGKPG-QOSQHLEFSA-N 320.146 2.866 50 40 DFGB O=C(Cn1cnc2ccccc21)N/N=C1/CCc2ccccc21 33503785 ZBVHMBZOFBLFQW-HKWRFOASSA-N 304.353 2.503 50 40 DFGB N#CC1=C(N)N(c2ccccc2)[C@@H](c2ccco2)C1(C#N)C#N 519985 GUPFTQZXYCJXSL-HNNXBMFYSA-N 301.309 2.568 50 40 DFGB COc1ccc(/C=N/NC(=O)c2c(C)nc3ccc(C)cn23)cc1 59444028 YIQPPRQOBWZYSN-VXLYETTFSA-N 322.368 2.724 50 40 DFGB CCOc1cccc(/C=N/NC(=O)Cc2ccc(OC)cc2)c1 408591909 WFTBMNHCVUWEMX-CPNJWEJPSA-N 312.369 2.787 50 40 DFGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 408790037 MLWHDXGDDZTWHK-JXMROGBWSA-N 313.269 2.742 50 40 DFGB Cn1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 34876863 OJKMCSBXZMIBEK-ZDLGFXPLSA-N 322.324 2.850 50 40 DFGB NC(=O)C(=O)c1ccccc1C(=O)[C@H](Cl)c1ccccc1 2450503 HACMEYBULVEVSD-CYBMUJFWSA-N 301.729 2.517 50 40 DFGB CCOC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(C)o1 3219178 USCADTZGEGAWNN-UKTHLTGXSA-N 324.340 2.835 50 40 DFGB COc1cccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)c1 59447326 LOQWZTOCLYNYPB-LICLKQGHSA-N 313.313 2.676 50 40 DFGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccnc1 2726872 XYEQRAWDELHHJF-NTUHNPAUSA-N 308.297 2.844 50 40 DFGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(/C#N)C(=O)N(C)C)o1 408855396 CWFZQEXBPBTWAP-LCYFTJDESA-N 324.336 2.948 50 40 DFGB COc1cccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)c1OC 408873762 VMDGZDUNEVPYPF-HNWNESBBSA-N 316.401 2.980 50 40 DFGB CN(C(=O)OC(C)(C)C)C1CCC(NC(=O)CCl)CC1 79408775 RDUNZMJLCJTCCM-UHFFFAOYSA-N 304.818 2.520 50 40 DFGB O=C(CBr)c1cccc([N+](=O)[O-])c1Br 169800455 FZMQHNQJVIEPIH-UHFFFAOYSA-N 322.940 2.935 50 40 DFGB O=C(N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1O 30713793 UAPGHVZJPXGNMG-PXNMLYILSA-N 319.704 2.718 50 40 DFGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 5175562 VWLWWWJEAAZRFM-LOGAQHJJSA-N 301.346 2.871 50 40 DFGB CN1CCN(/C(=C\C=C(C#N)C#N)c2ccc(Cl)cc2)CC1 19682935 VWWWOOHFDQZCQQ-IDUWFGFVSA-N 312.804 2.902 50 40 DFGB Cc1occc1C(=O)NNC(=O)N[C@H](C)c1ccccc1Cl 32795443 LTJJBWBHCKDVIU-SECBINFHSA-N 321.764 2.947 50 40 DFGB C[S@@](=O)c1ccc(C(=O)NNc2cccc(Cl)c2)cc1 48429490 JFGOZDKDIKJVPI-FQEVSTJZSA-N 308.790 2.834 50 40 DFGB C/C(N)=C(\C#N)C(=O)CSc1ncc(-c2ccc(F)cc2)o1 104817581 WINVUKBBXGWSJB-XFXZXTDPSA-N 317.345 2.898 50 40 DFGB CCn1c(C)cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1C 409065691 KKMKWYUCFILGDF-LICLKQGHSA-N 314.345 2.797 50 40 DFGB COc1ccc(-n2c(C)cc(/C=N\NC(N)=O)c2C)cc1Cl 409067366 XUVBGQLWGOOBII-LSCVHKIXSA-N 320.780 2.758 50 40 DFGB N#CC1=C(N)OC2=C(C(=O)O[C@H]3C=CC=C[C@H]23)[C@H]1[C@H]1C=CCCC1 4955080 YJVGQMXEPONXHH-JURCDPSOSA-N 322.364 2.605 50 40 DFGB Cc1cc(C)nc(NNC(=O)Cc2cccc3ccccc23)n1 11333779 YRPBQIILBKAEKD-UHFFFAOYSA-N 306.369 2.932 50 40 DFGB C/C=C/C=C/C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2 5788112 NWNXNZAUDCITLO-MQQKCMAXSA-N 302.418 2.873 50 40 DFGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)OC)o2)cc1 179721 SHMDDDLFASLALY-LICLKQGHSA-N 316.313 2.813 50 40 DFGB C/C(=C/I)CI 1857793062 CSHHJSVEMPBDKP-RQOWECAXSA-N 307.900 2.760 50 40 DFGB COc1ccccc1NCC(=O)N/N=C/c1sccc1C 116425 FUSRMUJJVVQNJQ-RQZCQDPDSA-N 303.387 2.627 50 40 DFGB Cc1ccc(/C=C/C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1 409054516 BARBSIYYOQQHFS-GGNBMFIYSA-N 308.337 2.857 50 40 DFGB COc1cc(/C=N\NC(=O)OC(C)(C)C)cc(OC)c1OC 31719682 PPRQAZQGUADBHP-SXGWCWSVSA-N 310.350 2.571 50 40 DFGB Cc1cccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)c1 109197 AKRQIWKWRYWNOB-QGZVFWFLSA-N 322.412 2.572 50 40 DFGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1C 203819 TUKLJPDLUWPHSF-KRWDZBQOSA-N 308.337 2.927 50 40 DFGB CCOC(=O)c1sc2nc(C(Cl)Cl)[nH]c(=O)c2c1C 387984 GUXBCEHZIXZTOC-UHFFFAOYSA-N 321.185 2.946 50 40 DFGB Cc1cc2c(c(=O)o1)[C@@H](c1c[nH]c3ccccc13)C(C#N)=C(N)O2 1432877 VACWGCCXATVQAJ-OAHLLOKOSA-N 319.320 2.648 50 40 DFGB CCCCC[C@]1(C(=O)OCC)C[C@H](CBr)OC1=O 2364856 MMPLXLHAFDUXKL-ZWNOBZJWSA-N 321.211 2.827 50 40 DFGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccn2)cc1OC 67190139 HRRYDKQJSLMULW-UKTHLTGXSA-N 309.325 2.644 50 40 DFGB CCOc1ccc(CC(=O)N/N=C\c2ccc(OC)cc2)cc1 408712111 ZULDMTITVFAFQL-UYRXBGFRSA-N 312.369 2.787 50 40 DFGB C/C(=N\NC(=O)COc1ccc(Cl)c(C)c1)c1ccncc1 8183363 JSNOBBIULPPGMQ-XDHOZWIPSA-N 317.776 2.963 50 40 DFGB N#Cc1cccc(C(=O)[C@@H](Br)CBr)c1 307679013 LKZARFASNQIPNV-VIFPVBQESA-N 316.980 2.899 50 40 DFGB C/C(CCc1ccccc1)=N/NC(=O)C(=O)NC1CCCCC1 59515676 DXLQUNJXGKBCIO-ZHZULCJRSA-N 315.417 2.560 50 40 DFGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C\c1ccncc1 32561913 VQTDQYGVZQXHLG-IPHDDYSGSA-N 303.749 2.653 50 40 DFGB Cc1cc(C)cc(OCCC(=O)NNC(=O)c2cccs2)c1 40060238 JHQKDJBHWUWUCN-UHFFFAOYSA-N 318.398 2.595 50 40 DFGB CC(/C=C/c1ccco1)=N/NC(=O)[C@H]1COc2ccccc2O1 1500953 IUJWBXOCIVRDJU-RYPVOQAGSA-N 312.325 2.625 50 40 DFGB C#CCn1c(C)c(/C=N/NC(=O)c2ccncc2)c2ccccc21 409373708 YECAZAQABFIVLL-FYJGNVAPSA-N 316.364 2.742 50 40 DFGB CCCCCCO[S@](=O)O[C@@H](C)[C@H](Cl)C(=O)OCC 5249271 LAYWVHZTHSKSHC-ZHYXMNDGSA-N 314.831 2.738 50 40 DFGB CC1(C)CC(O)=C/C(=N\NC(=O)[C@H]2COc3ccccc3O2)C1 103437935 JWTKZKLUBDZLRZ-CLXYIWAZSA-N 316.357 2.561 50 40 DFGB COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc3c(cc21)OCO3 203544 FCNVLPMAFZDSCR-KRWDZBQOSA-N 322.320 2.642 50 40 DFGB CCn1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c2ccccc21 6568610 JHMONLVQSLIUQP-DKGMDFAASA-N 323.396 2.863 50 40 DFGB N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@@H]1c1ccncc1 13151294 CBTGLXLKNNEDIS-GFCCVEGCSA-N 321.365 2.751 50 40 DFGB Cc1ccc(C)c(NC(=S)NNC(=O)c2ccccc2O)c1 6573211 AHZBTGNGCCYQNV-UHFFFAOYSA-N 315.398 2.640 50 40 DFGB COc1ccc2oc(=O)c(C(=O)NNc3ccccc3)cc2c1 5514520 BVUSIZRCQMNAAK-UHFFFAOYSA-N 310.309 2.559 50 40 DFGB CC(C)(C)OC(=O)N1CCC([C@@H](Br)C=O)CC1 66339547 PEMBPKBSSGOIRP-JTQLQIEISA-N 306.200 2.596 50 40 DFGB C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)NN=Cc1ccc(O)c(O)c1)C2 251113628 CSDRVEKUFJFQPS-SCLBCKFNSA-N 314.385 2.930 50 40 DFGB Cc1cc(C)n(Cc2ccc(C(=O)N/N=C/c3ccco3)cc2)n1 130622 HVNRAYTXYATOOP-YBFXNURJSA-N 322.368 2.905 50 40 DFGB N#C/C(=C/Nc1ccccc1C(=O)O)C(=O)NCc1ccccc1 5048495 MBLLYIQHLFVRJW-OWBHPGMISA-N 321.336 2.521 50 40 DFGB O=P(Cc1cc[n+]([O-])cc1)(c1ccccc1)c1ccccc1 66864 BZDWFAMYTCYOIG-UHFFFAOYSA-N 309.305 2.834 50 40 DFGB C/C(CC(=O)c1cccnc1)=N/NC(=O)CCc1ccccc1 102880377 RCYHAGIWPRHOOS-ZHZULCJRSA-N 309.369 2.779 50 40 DFGB COc1cccc(/C=N/NC(=O)COc2c(C)cccc2C)c1 516801 RWDSHRWGVUWEIY-YBFXNURJSA-N 312.369 2.841 50 40 DFGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1C(C)C 90068 MWPCIJANSMOIRZ-CQSZACIVSA-N 312.369 2.957 50 40 DFGB O=C(N/N=C1/CCc2ccccc21)N/N=C1\CCc2ccccc21 104307387 XJCBKFUZKIYYKV-WPDZNWIASA-N 318.380 2.987 50 40 DFGB Cc1nn(-c2ccc(Br)cc2)nc1C(=O)Cl 45920332 NVUGNYOSCCVVGZ-UHFFFAOYSA-N 300.543 2.717 50 40 DFGB NNC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 255188802 LSPULYNDVALREM-UHFFFAOYSA-N 324.167 2.849 50 40 DFGB CCOC(=O)NP(=O)(Nc1ccccn1)Nc1ccccn1 104079382 JYKOLHZSPCCRSC-UHFFFAOYSA-N 321.277 2.855 50 40 DFGB Cc1cccc(OCCOc2ccc(/C=C(\C#N)C(N)=O)cc2)c1 4508510 RIKABGCCBZWSFI-FOWTUZBSSA-N 322.364 2.845 50 40 DFGB O=C(Cn1ccc2ccccc21)N/N=C/c1cccc([N+](=O)[O-])c1 4676740 NUJZANOREOBPMD-WOJGMQOQSA-N 322.324 2.700 50 40 DFGB C/C(=C/C(=O)c1ccc(Cl)cc1)NNC(=O)c1ccco1 408948278 COBTWUTWFFDBCF-KTKRTIGZSA-N 304.733 2.954 50 40 DFGB CCC1=C(C(=O)OC)[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O1 351055 GOCBFJCDPUBOAH-CYBMUJFWSA-N 318.760 2.985 50 40 DFGB C/C(=N\NC(=O)c1ccc(F)cc1)c1ccc2c(c1)OCCO2 6512733 GWSOEYJEORJPNL-YBFXNURJSA-N 314.316 2.751 50 40 DFGB Cc1cccc(NC(=O)/C(C#N)=C/c2cccc([N+](=O)[O-])c2)n1 37866085 XZCFCVDFHCBAIB-MDWZMJQESA-N 308.297 2.844 50 40 DFGB CCCC(=O)NNC(=O)COc1ccccc1-c1ccccc1 2546323 GCCMVTYKOKFLNR-UHFFFAOYSA-N 312.369 2.680 50 40 DFGB COc1ccc(/C=C/C(=O)N/N=C/c2ccc(OC)cc2)cc1 409054539 BLVJCGMBFVSJIE-CLHQEALVSA-N 310.353 2.867 50 40 DFGB Cc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)c1ccncc1 33341892 HJNIWCYFEGTLEC-NDENLUEZSA-N 319.368 2.648 50 40 DFGB CC(C)N(C[C@@H]1CCCN1C(=O)CCl)C(=O)OC(C)(C)C 79390995 DNPHVECWUUTWBA-LBPRGKRZSA-N 318.845 2.862 50 40 DFGB CN(C(=O)CCl)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 79392496 RKNBZFQJIMKSEG-WDEREUQCSA-N 304.818 2.520 50 40 DFGB CC(C)(C)OC(=O)NN[C@@H](c1ccccc1)C1CCNCC1 228966619 DBZTXAVXHJSXNW-HNNXBMFYSA-N 305.422 2.757 50 40 DFGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1F 4852608 LWUDECYTRCQYLZ-UHFFFAOYSA-N 316.376 2.803 50 40 DFGB O=C(NN(Cc1ccccc1)c1ccccc1)c1ccc(=O)[nH]c1 46758778 FNCDZDBFRHWEKC-UHFFFAOYSA-N 319.364 2.727 50 40 DFGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 408722862 NXVCHXPKOOYMPZ-IMDPDOKMSA-N 317.345 2.577 50 40 DFGB Cc1nc(N2CCOCC2)sc1/C=C(\C#N)c1ccccn1 96405110 GWLJNLNAHYAMSJ-JLHYYAGUSA-N 312.398 2.747 50 40 DFGB O=C(N/N=C/c1cccc(Cl)c1)C(=O)NC1CCCCCC1 409005279 HAWDMVKGUYIUSD-WOJGMQOQSA-N 321.808 2.629 50 40 DFGB O=C(N/N=C\c1ccc(OC(F)(F)F)cc1)c1ccncc1 33509400 ZVYZYFZHBDVXPJ-OCKHKDLRSA-N 309.247 2.744 50 40 DFGB COCCCNC(=O)/C(C#N)=C/c1ccc(OCC(C)C)cc1 255845895 QSCJIAFUHKOKFD-LFIBNONCSA-N 316.401 2.781 50 40 DFGB COc1ccc2cc(C(=O)N/N=C/c3ccccc3OC)[nH]c2c1 2338881 UHOXBBYUPXKRNP-YBFXNURJSA-N 323.352 2.949 50 40 DFGB C=CCn1cc/c(=N\C=C(/C#N)C(=O)OCC)c2ccccc21 6205913 SONRMJWJFMAXMS-ZWWNTAHPSA-N 307.353 2.699 50 40 DFGB NC(=O)N/N=C/c1ccc(OCc2ccccc2)c(Cl)c1 566001 QJQHHFFNENBOHS-GIJQJNRQSA-N 303.749 2.921 50 40 DFGB CCOC(=O)C(C(=O)OCC)(c1ccccc1)C(Cl)Cl 2022035 PQQFZYXCUFUEIV-UHFFFAOYSA-N 319.184 2.854 50 40 DFGB CC(C)(C(=O)/C(C#N)=C/c1ccc(Cl)cc1)n1cncn1 1397217 FSAKEIRWUMWPLL-KPKJPENVSA-N 300.749 2.843 50 40 DFGB O=C(N/N=C\c1cccnc1)c1ccc(Br)s1 32578329 URYIQHKYVPYKSD-AUWJEWJLSA-N 310.176 2.670 50 40 DFGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccccn2)cc1 223172129 OWKHBKNKWVEORG-KAMYIIQDSA-N 321.336 2.804 50 40 DFGB Cc1cc(C(=O)NNC(=O)OC(C)(C)C)c2ccc(F)cc2n1 63460929 KIARCGOZPYRFKA-UHFFFAOYSA-N 319.336 2.852 50 40 DFGB C=CCOC(=O)C1=C(C)NC(S)=C(C#N)[C@H]1c1ccco1 19827446 XLZUCGIJCOLHCG-ZDUSSCGKSA-N 302.355 2.635 50 40 DFGB CN(CCC#N)c1ccc(/C=N/NC(=O)c2ccccc2O)cc1 5393768 IYDSMLGXCHOAAY-DEDYPNTBSA-N 322.368 2.506 50 40 DFGB Cc1cccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)c1 109191 AKRQIWKWRYWNOB-KRWDZBQOSA-N 322.412 2.572 50 40 DFGB FC(F)(F)C1(C(F)(F)F)[C@@H]2C[C@@H]3[C@@H]([C@@H]2Br)N31 100114788 XKUBBXCEJQOOTG-UWLOJIEQSA-N 310.035 2.700 50 40 DFGB CC(C)(C)OC(=O)N1CCn2nc(CBr)cc2C1 307702982 QHNBBNSNVBZZOQ-UHFFFAOYSA-N 316.199 2.529 50 40 DFGB COc1ccc(CSCC(=O)N/N=C/c2ccco2)cc1 67049 NUEFKSOJZYWVQL-CXUHLZMHSA-N 304.371 2.672 50 40 DFGB COc1ccc(/C=N/NC(=O)CCc2nc3ccccc3[nH]2)cc1 383206 QELNIDLWZSZCGZ-XDHOZWIPSA-N 322.368 2.654 50 40 DFGB CCOc1ccccc1OCC(=O)N/N=C/c1sccc1C 3266802 ZJVZQEXHFLUQBM-LICLKQGHSA-N 318.398 2.984 50 40 DFGB COc1ccccc1OCC(=O)N/N=C/c1c(F)cccc1F 3277217 JYQRXYCMUSTEET-DJKKODMXSA-N 320.295 2.503 50 40 DFGB CC(=O)N/N=C(\C)c1cccc(NC(=O)c2cccs2)c1 4646823 MJPMNZJBZBQFSY-LICLKQGHSA-N 301.371 2.861 50 40 DFGB COc1ccc2c(/C=N/NC(=O)c3ccccc3O)c[nH]c2c1 5562003 WYVMPEVQWPMZDD-VXLYETTFSA-N 309.325 2.646 50 40 DFGB Cc1ccc2c(c1)/C(=C(\C#N)C(=O)NCc1ccccc1)C(=O)N2 39556004 IVKHLHMHBJLCAK-ICFOKQHNSA-N 317.348 2.541 50 40 DFGB CC/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccccc1O 17032438 MBDVATPGXPZWEE-QGOAFFKASA-N 312.325 2.665 50 40 DFGB N#CC(C#N)=Cc1cccc(OS(=O)(=O)c2ccccc2)c1 59399058 SLXCCYWYWGXNKK-UHFFFAOYSA-N 310.334 2.885 50 40 DFGB CN(N=O)C(=O)Nc1cc(O)nc(SCc2ccccc2)n1 8652728 VIKDOUXTQWMNHB-UHFFFAOYSA-N 319.346 2.620 50 40 DFGB CCS(=O)(=O)[C@](C)(CCl)C(=O)Nc1ccc(Cl)cc1 4837652 CGFUTMMAUPTDHM-GFCCVEGCSA-N 324.229 2.711 50 40 DFGB CCOc1ccc(CC(=O)N/N=C(\C)c2ccc(O)cc2)cc1 408711877 OPIBHROQCVGVSX-CPNJWEJPSA-N 312.369 2.874 50 40 DFGB C/C(=N/NC(=O)c1cccs1)c1ccc2c(c1)OCCO2 33752520 BJNSCQBEPWQWQC-YBEGLDIGSA-N 302.355 2.673 50 40 DFGB CCc1n[nH]c(Sc2ccc(C(=O)Cl)cc2[N+](=O)[O-])n1 70462565 RINLLKOFSCDSFD-UHFFFAOYSA-N 312.738 2.806 50 40 DFGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2cccs2)cc1 585254 PHZYKZVOJVCCDE-MHWRWJLKSA-N 301.371 2.861 50 40 DFGB O=C(Cl)[C@@H](c1ccccc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 5014774 TZBCQSKYRYWHBG-FRRDWIJNSA-N 305.761 2.668 50 40 DFGB C[C@@H](NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])o1)c1ccccc1 2768315 YKAPTNHJXOXVNR-VSXLWIIGSA-N 311.297 2.972 50 40 DFGB CCOc1ccccc1OCC(=O)N/N=C/c1ccc(C)cc1 5467320 LWXZAAKOVUSRNZ-XDHOZWIPSA-N 312.369 2.923 50 40 DFGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C1/CCCc2ccccc21 101317308 WBYIGLJQTYLLEX-ZPHPHTNESA-N 323.352 2.994 50 40 DFGB COc1ccc(NC(=O)C(=O)NN=C2CCCCC2)cc1Cl 59515453 YKLYCTWNKZUEHN-UHFFFAOYSA-N 323.780 2.723 50 40 DFGB Cc1n[nH]c2c1[C@@H](c1ccc(OC(C)C)cc1)C(C#N)=C(N)O2 4631471 OJJRJALCOPUXJS-HNNXBMFYSA-N 310.357 2.724 50 40 DFGB COc1ccc(/C(C)=N/NC(=O)c2cccs2)c(OC)c1 4616720 YFNMUESJWWWRNR-MHWRWJLKSA-N 304.371 2.919 50 40 DFGB Cc1cc(C)n(CC(=O)N/N=C/C2=CC[C@H]3C[C@@H]2C3(C)C)n1 21189401 OSKZAFLEYURSLU-SVOPHVHRSA-N 300.406 2.594 50 40 DFGB CC(=O)C1=NN(c2ccccc2)C(N)=C(C#N)[C@@H]1c1ccccc1 35245649 OHXHBBFKRHVIAZ-KRWDZBQOSA-N 316.364 2.929 50 40 DFGB N#C/C(=C\c1ccc(O)c(Br)c1)C(=O)N1CCCC1 16438261 OFWCACKAVFVBSC-YRNVUSSQSA-N 321.174 2.684 50 40 DFGB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)/C2=C\NNC(=O)c1ccccc1O 16578198 XVSVGDUDXXFFJQ-YHWQZAKVSA-N 314.385 2.536 50 40 DFGB O=C(NN(c1ccccc1)c1ccccc1)c1ccc[n+]([O-])c1 45165801 DISWDIPNANKDQX-UHFFFAOYSA-N 305.337 2.803 50 40 DFGB CC(=O)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 409015059 ACQAITBFQBZPJD-LICLKQGHSA-N 313.313 2.644 50 40 DFGB COc1ccc(OC)c(/C=N/NC(=O)CCc2ccccc2)c1 5916187 ZBTLEEFNOYHMKF-CPNJWEJPSA-N 312.369 2.787 50 40 DFGB CC(=O)NNc1ncc(C(=O)/C=C/c2ccccc2C)s1 16957604 ARUJCKNBXWPHTG-BQYQJAHWSA-N 301.371 2.811 50 40 DFGB ClCCN(CCCl)CCN(CCCl)CCCl 19366203 JKPPVAYNBVUZHO-UHFFFAOYSA-N 310.096 2.546 50 40 DFGB Cc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1[N+](=O)[O-] 7157090 XAFBHDQCXRGEOY-NTUHNPAUSA-N 311.297 2.720 50 40 DFGB O=C(Cc1cccs1)N/N=C1/C(O)=Nc2ccc(F)cc21 8514655 DKRRBWZOZALADW-UHFFFAOYSA-N 303.318 2.552 50 40 DFGB Cc1c(C(=O)O)cccc1-c1ccc(/C=C(\C#N)C(=O)N(C)C)o1 37487 RCEILGPJESSNCG-FMIVXFBMSA-N 324.336 2.948 50 40 DFGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(CC)s1 43741 RTZGMTPVLUFFGY-CQSZACIVSA-N 318.398 2.955 50 40 DFGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1 3308586 CSKUZSNPFFRLOP-OQLLNIDSSA-N 307.309 2.818 50 40 DFGB COC(=O)N/N=C/c1ccc(OC(F)F)cc1OC(F)F 3319226 ZZPVKIOHRMWLDP-FZSIALSZSA-N 310.203 2.579 50 40 DFGB CC1=C(C(=O)OCCCCl)[C@@H](c2ccc(C)cc2)NC(=O)N1 4091280 XFJKYLSBHOGTNF-CQSZACIVSA-N 322.792 2.795 50 40 DFGB ClCC(CCl)OC[C@H]1CO[C@@H]([C@H]2C[C@H]3C=C[C@@H]2C3)O1 5377135 ZHMYUXWEIVWJPA-ONCHEJIZSA-N 307.217 2.803 50 40 DFGB C=CCOc1ccc(/C=C(/C#N)C(=O)N(C)C)cc1OCC 59334439 RXLJZJRUVLDTSG-UVTDQMKNSA-N 300.358 2.645 50 40 DFGB CC(=O)C1=C(C)NC([C-](C#N)C#N)=C(C#N)[C@@H]1c1ccccc1 61852262 ZGTZFNSFDGRMNM-KRWDZBQOSA-N 301.329 2.636 50 40 DFGB CC(C)c1ccc(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)cc1 11335571 ONZKRRMIUXDSMF-NTEUORMPSA-N 308.389 2.707 50 40 DFGB CCOc1ccccc1OCC(=O)N/N=C/c1ccc(C)o1 3277300 HVBHRUSHTKFKQA-LICLKQGHSA-N 302.330 2.516 50 40 DFGB COc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)c(OC)c1 33499397 VWIWRAJBNQWPEP-ODLFYWEKSA-N 316.332 2.536 50 40 DFGB COC(=O)/C(C#N)=C(/NCc1ccccc1)Nc1ccccc1 16958699 IDCYILUNFFYACQ-MSUUIHNZSA-N 307.353 2.796 50 40 DFGB COC(=O)[C@H](I)[C@H](Cl)c1ccccc1 1832954 ARQOPTLFVQENIV-RKDXNWHRSA-N 324.545 2.943 50 40 DFGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccccc1OCC#N 409379227 VWUZKWCXSPIVRP-WJDWOHSUSA-N 320.352 2.685 50 40 DFGB C/C(=N\NC(=O)CC#N)c1cccc(NC(=O)c2ccccc2)c1 408719443 FEJLDCPAGQDPEM-FYJGNVAPSA-N 320.352 2.693 50 40 DFGB COCCOC(=O)/C(C#N)=C/c1ccc(Br)s1 5068646 GWALANSORNCVKR-SOFGYWHQSA-N 316.176 2.607 50 40 DFGB O=C(N/N=C(\c1ccccc1)c1cccnc1)c1ccncc1 5680368 PWBLJSCFCCGSTR-HEHNFIMWSA-N 302.337 2.659 50 40 DFGB N#C/C(=C\c1ccc(F)cc1)C(=O)NCc1ccc2c(c1)OCO2 6241331 XWIPZLWWWHEZTG-VGOFMYFVSA-N 324.311 2.778 50 40 DFGB CCOc1ccccc1/C=N/NC(=O)CN1Cc2ccccc2C1 409204220 CUEFLJNGIFFWKW-RGVLZGJSSA-N 323.396 2.551 50 40 DFGB CSC1=NC=C(C#N)C2=N[C@@H](c3c(F)cccc3Cl)NN12 90570 JSSRQXVXSCUMFR-LLVKDONJSA-N 321.768 2.836 50 40 DFGB CC[C@@H]1CN2CC[C@]34C(=C(C=O)[C@H]1C[C@H]23)N(C)c1ccccc14 5393565 AYYGQHJUBAEPOC-ZQCAWNDQSA-N 308.425 2.961 50 40 DFGB biogenic O=C(CNc1ccccc1)N/N=C/C=C/c1ccccc1[N+](=O)[O-] 4746750 PWVFFHYBRLJHKY-ZYZAVJBWSA-N 324.340 2.822 50 40 DFGB C/C(=N\NC(=O)Cc1ccc2c(c1)OCO2)c1ccc(C)cc1 409044267 VCEPSKGKHFYCAT-CPNJWEJPSA-N 310.353 2.807 50 40 DFGB CCOc1cccc(/C=N\NC(=O)Cc2ccc(F)cc2)c1O 409221251 NMVJSTHYNOIUDD-ODLFYWEKSA-N 316.332 2.623 50 40 DFGB COc1ccc(/C(C#N)=C/c2cccc(OCC(N)=O)c2)cc1 408582954 PYISBEFBVGPCKX-OQLLNIDSSA-N 308.337 2.623 50 40 DFGB COc1ccc(O)c(/C=N\NC(=O)Cc2cc(C)ccc2C)c1 409365829 SGGOZDDIXARNHM-ODLFYWEKSA-N 312.369 2.710 50 40 DFGB CN(C(=O)CCl)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 79392491 RKNBZFQJIMKSEG-QWRGUYRKSA-N 304.818 2.520 50 40 DFGB O=S(=O)(c1ccc(Cl)cc1)N(CCCl)CCCl 1682923 AJLVKGRYFBRBOK-UHFFFAOYSA-N 316.637 2.808 50 40 DFGB N#CC1=C(N)Oc2c(ccc3cccnc23)[C@@H]1c1ccncc1 492440 YNEIROJBBRXLDJ-HNNXBMFYSA-N 300.321 2.848 50 40 DFGB N#C/C(=C/c1cccc(Oc2ccccc2)c1)C(=O)NC(N)=O 8518211 QSAHXWODHBNQGC-LCYFTJDESA-N 307.309 2.581 50 40 DFGB O=C(CCl)N(C1CC1)C1CCN(Cc2ccccc2)CC1 79404018 XAKJNEDNPYHHBH-UHFFFAOYSA-N 306.837 2.881 50 40 DFGB COC(=O)c1cc(Br)ccc1NC(=O)[C@H](C)Cl 96029388 ZJUSZEDEIQHVFY-LURJTMIESA-N 320.570 2.802 50 40 DFGB CCOC(=O)/C(C#N)=C\c1ccc(/C=C(/C#N)C(=O)OCC)cc1 5047702 TUUWXQUTXGOUAI-VULZFCBJSA-N 324.336 2.627 50 40 DFGB C[C@H](Nc1cccc(Cl)c1)C(=O)N/N=C/c1ccccn1 126411 QAQNZUIRORMRCY-HPAYWCODSA-N 302.765 2.686 50 40 DFGB CCOc1ccc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)cc1 313691 QVOGOJDWKROLDF-AMRJIULGSA-N 312.369 2.923 50 40 DFGB Cc1cc2c(c(=O)o1)[C@H](c1c[nH]c3ccccc13)C(C#N)=C(N)O2 1432878 VACWGCCXATVQAJ-HNNXBMFYSA-N 319.320 2.648 50 40 DFGB Cn1/c(=N\NC(=O)c2ccccc2F)sc2ccccc21 6189021 LFQVGKLEZVKKKR-OBGWFSINSA-N 301.346 2.625 50 40 DFGB N#CC(/C=C1/C=CC=N1)=C1\NC(c2ccc(O)cc2O)=CS1 8709352 IYOPZCCCGVKRFN-WJYDFUCJSA-N 309.350 2.992 50 40 DFGB Cc1cc(C)nc(NNC(=O)c2cc3ccccc3cc2O)n1 14511759 PEBAYXGNMQWLKX-UHFFFAOYSA-N 308.341 2.709 50 40 DFGB C/C(=N/NC(=O)COc1cc(C)cc(C)c1)c1ccc(N)cc1 33322682 ZHIBQMXTJBEEGH-ZHZULCJRSA-N 311.385 2.805 50 40 DFGB C[C@@H]1CCc2[nH]c3c(C(=O)NNc4ncccn4)cccc3c2C1 48151354 RWKBAVSNJUXWML-LLVKDONJSA-N 321.384 2.840 50 40 DFGB COc1cccc2c1N(C(C)(C)C(=O)NN)C(C)(C)C[C@H]2C 260625051 YMAAEHNFMKMWLY-LLVKDONJSA-N 305.422 2.556 50 40 DFGB O=C(NNc1ncccn1)C1c2ccccc2Oc2ccccc21 45520832 CYAYEEALEJMXNN-UHFFFAOYSA-N 318.336 2.858 50 40 DFGB O=C1[C@@H](Br)CCN1Cc1ccc(F)c(Cl)c1 66347586 COFSBMZSZGJQCF-QMMMGPOBSA-N 306.562 2.975 50 40 DFGB Cc1cc(C)nc(NNC(=O)Nc2cccc3cccnc23)n1 65585419 JZDVKYHIUZUFKA-UHFFFAOYSA-N 308.345 2.790 50 40 DFGB C[C@@H](OC(=O)/C(C#N)=C\c1ccco1)C(=O)N(C)c1ccccc1 96508113 OTFOBRYLCNEKLD-KECPUOCWSA-N 324.336 2.781 50 40 DFGB COc1ccccc1-c1cc(C(=O)N/N=C\c2ccccc2)[nH]n1 33089312 WFHWOLLSZRTRFF-UNOMPAQXSA-N 320.352 2.849 50 40 DFGB COc1cccc2c1N([C@H](C(=O)NN)C(C)C)C(C)(C)C=C2C 260619388 KMYZPXGSFMZXMH-HNNXBMFYSA-N 317.433 2.712 50 40 DFGB CCN(Cc1cccc(F)c1)C(=O)NNC(=O)c1ccoc1C 32795455 FMJAGFUUHRVNQR-UHFFFAOYSA-N 319.336 2.604 50 40 DFGB C/C(CC(=O)Nc1ccccn1)=N\NC(=O)c1ccc(C)cc1 4600933 VJUWYHDXCCBIJU-DEDYPNTBSA-N 310.357 2.525 50 40 DFGB N#CC1=C(N)OC2=C(C(=O)O[C@H]3C=CC=C[C@H]23)[C@@H]1[C@H]1C=CCCC1 4955074 YJVGQMXEPONXHH-NZBPQXDJSA-N 322.364 2.605 50 40 DFGB COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OC)c2O)cc1 408746072 QPKVNGXWDPOQCZ-JLHYYAGUSA-N 324.336 2.955 50 40 DFGB O=C(CCCC[C@@H]1CCSS1)N1CCN(CCF)CC1 390831178 QHAOYCRADOYCLK-CYBMUJFWSA-N 320.499 2.814 50 40 DFGB COc1cc(/C=N/NC(=O)c2ccccc2)cc(Cl)c1O 495821 QGTVSLGVDNIRCI-RQZCQDPDSA-N 304.733 2.818 50 40 DFGB COc1ccc(/C(C)=N\NC(=O)Cc2cccs2)cc1OC 554722 BETHWCMWILVYPQ-BOPFTXTBSA-N 318.398 2.848 50 40 DFGB CCCN1C(=O)/C(=N\NC(=O)c2ccccc2)c2ccccc21 197475 FOVSUKIDLXHZMA-MNDPQUGUSA-N 307.353 2.577 50 40 DFGB CCOC(=O)NNC(=O)c1ccccc1-c1ccccc1C#N 28636962 FVHVGEHOXGLXTC-UHFFFAOYSA-N 309.325 2.616 50 40 DFGB CCN(C(=O)CCl)C1CCC(NC(=O)OC(C)(C)C)CC1 79392528 CXQZQPFYUXEBTP-UHFFFAOYSA-N 318.845 2.910 50 40 DFGB CCOc1cc(C(=O)N/N=C\c2ccc(O)cc2)ccc1OC 409331444 FRXBGVIJNPTULS-WQRHYEAKSA-N 314.341 2.563 50 40 DFGB COc1nc2c([nH]1)[C@H](c1ccccc1C(C)(C)C)C(C#N)=C(N)O2 6419556 XEFJRUQLKWYLRT-CYBMUJFWSA-N 324.384 2.934 50 40 DFGB CCCCNC(=O)/C(C#N)=C\c1cnc(-c2ccccc2)nc1 53103410 IIOGPSKAPGZZQZ-YBEGLDIGSA-N 306.369 2.967 50 40 DFGB C/C(=N/NC(=O)c1ccco1)c1c(C)nn(-c2ccccc2)c1O 16249355 MSJRUDOWHRTHIZ-WQRHYEAKSA-N 324.340 2.633 50 40 DFGB Cc1ccc(/C=N\NC(=O)COc2cccc(C)c2C)c(O)c1 13955454 UTRLNPSJWGGFQK-GRSHGNNSSA-N 312.369 2.847 50 40 DFGB CC(C)=NNC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1 58885750 RPNITHNPIDVTNM-UHFFFAOYSA-N 311.341 2.929 50 40 DFGB CCCCCCCC(=O)N/N=C1\C(=O)Nc2ccc(F)cc21 100945895 FNGMCRNBGWIMMI-UHFFFAOYSA-N 305.353 2.959 50 40 DFGB CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2[C@@H](C)C(=O)NN 223830478 WNQWNQWXSSVQSY-RYUDHWBXSA-N 305.422 2.556 50 40 DFGB CCOc1ccc(Cl)cc1/C=N/NC(=O)c1cccnc1 409093566 ARUZGWSGFPRWAX-VCHYOVAHSA-N 303.749 2.898 50 40 DFGB O=C(CSc1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1 59165259 JMTPTHLCYAIYDZ-MHWRWJLKSA-N 315.354 2.837 50 40 DFGB CCc1nc2ccccc2n1CC(=O)NN(C)c1ccccc1 65533789 SCJWMHHIOYFBBD-UHFFFAOYSA-N 308.385 2.766 50 40 DFGB COc1cc(Cl)cc(/C=N\NC(=O)c2ccc(F)cc2)c1O 4784608 XDWSHQWLJLQHJX-LSCVHKIXSA-N 322.723 2.957 50 40 DFGB Cc1c(C(=O)NN=Cc2ccccc2Cl)sc(N)c1C#N 408730109 NHZOVYLJIACVCH-UHFFFAOYSA-N 318.789 2.928 50 40 DFGB O=C(N/N=C/c1ccc(N2CCCC2)cc1)c1cccc(O)c1 408857635 OZXKYNROMSYVLF-CPNJWEJPSA-N 309.369 2.756 50 40 DFGB COc1cccc2c1N([C@@H](C(=O)NN)C(C)C)C(C)(C)C=C2C 223213804 KMYZPXGSFMZXMH-OAHLLOKOSA-N 317.433 2.712 50 40 DFGB C/C(=N\NC(=O)COc1ccc([N+](=O)[O-])cc1)c1cccs1 70304 MTMSIPGGWSJKCT-XNTDXEJSSA-N 319.342 2.576 50 40 DFGB COc1cc(Cl)cc(/C=N/NC(=O)c2cccs2)c1O 569165 FXEBRFWYJRJKOX-VIZOYTHASA-N 310.762 2.880 50 40 DFGB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CBr)cc1 3110796 KPZUPCRCLVVZKQ-LLVKDONJSA-N 318.236 2.543 50 40 DFGB O=C(N/N=C/c1ccccc1F)C(=O)Nc1cccc(Cl)c1 59386457 CUUTYZYXBYOLMV-GIJQJNRQSA-N 319.723 2.568 50 40 DFGB CC(C)(C)OC(=O)N1CCC[C@H](N(C(=O)CCl)C2CC2)C1 79392585 LAYMXMYMEIJACN-LBPRGKRZSA-N 316.829 2.616 50 40 DFGB Cc1ccc(OCC(=O)N/N=C/c2cccc(C)c2O)cc1C 3023280 OPWGJINYAGEJLJ-VXLYETTFSA-N 312.369 2.847 50 40 DFGB COc1cccc(/C=N/NC(=O)COc2ccc(C)cc2C)c1 3023373 XILBSBYMYWGKFZ-YBFXNURJSA-N 312.369 2.841 50 40 DFGB C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccccc1OCC#N 4544674 XSAPIRZWPQVADU-MGXLVVJSSA-N 311.385 2.865 50 40 DFGB C/C(=N\NC(=O)[C@H](O)c1ccccc1)c1ccc(Cl)cc1 4599450 ZMILIADUPZFCAW-CLXYIWAZSA-N 302.761 2.914 50 40 DFGB Cc1ccc(OCCOc2cccc(/C=C(\C#N)C(N)=O)c2)cc1 4615999 SCANJOLGCOLZTK-LFIBNONCSA-N 322.364 2.845 50 40 DFGB COC(=O)N/N=C/c1cccc(OC(=O)/C=C/c2ccco2)c1 6626247 IUYFFMNQCNSWCS-NXFWIZADSA-N 314.297 2.588 50 40 DFGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OC(C)C 408881219 KHHJXJSXEQUCKE-VZUCSPMQSA-N 308.765 2.918 50 40 DFGB C[C@@H](Cl)C(=O)Nc1ccc(N2CCOCC2)c(Cl)c1 34776751 OBUUWCVBBKTNFQ-SECBINFHSA-N 303.189 2.742 50 40 DFGB N#C/C(=C/c1ccc(OCc2ccccc2C#N)cc1)C(N)=O 408858161 NCLDCTVVRJFBJV-SXGWCWSVSA-N 303.321 2.530 50 40 DFGB CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CCl)OC2=O 95951377 HDIPAMUFYCQYPQ-SNVBAGLBSA-N 303.786 2.558 50 40 DFGB N#C/C(=C\[C@@H]1CC[C@H]2OCO[C@@H]2C1)C1CCC([N+](=O)[O-])CC1 5328164 XYMAGFLDLDRDMP-NIPBHORESA-N 306.362 2.813 50 40 DFGB Cc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c(C)[nH]1 34116 NLCCZTNXORBIQA-VIZOYTHASA-N 323.352 2.584 50 40 DFGB O=C(NN/C=C1\OC(=O)c2ccccc21)c1ccc(Cl)cc1 100395826 VBYDCLIAAUDOMG-ZROIWOOFSA-N 314.728 2.743 50 40 DFGB O=C(N/N=C/c1ccccc1Cl)C(=O)NC1CCCCCC1 409005692 JSJLQJRDFMGGIO-WOJGMQOQSA-N 321.808 2.629 50 40 DFGB C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C\c1cccnc1 32701892 BLRIDBBUDYUETG-TZQXVGBESA-N 303.749 2.653 50 40 DFGB C/C(=N\NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1O 5942693 KXMOJRGNJFYSOP-GZTJUZNOSA-N 313.313 2.763 50 40 DFGB CC/C(=N\NC(=O)Cn1nc(C)cc1C)c1ccc(F)cc1 6686964 DTJGALXPWSRHEY-OBGWFSINSA-N 302.353 2.570 50 40 DFGB COc1cc(C)ccc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 408748386 CVZACAJAHLXOTH-LICLKQGHSA-N 313.313 2.676 50 40 DFGB O=C(O)c1ccc(-n2cccc2/C=N\NC(=O)c2ccco2)cc1 36151126 XSOGLZPBLPBYDU-WQRHYEAKSA-N 323.308 2.532 50 40 DFGB COc1cc(C(=O)N/N=C2\C[C@@H]3CC[C@@H]2C3)cc(OC)c1OC 100317253 VDAJYEQZNCDILE-YMGHBHBLSA-N 318.373 2.618 50 40 DFGB CC(C)N(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)CCl 79393734 WLAFBDRNZMSHNA-MRXNPFEDSA-N 308.853 2.984 50 40 DFGB Cc1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)cc2)cc1 8043348 PMPOLYYYWDYWSO-XSFVSMFZSA-N 323.396 2.596 50 40 DFGB O=C(N/N=C/c1ccc(O)cc1)c1cccc(Br)c1 281891 KJMBJRCTGBQGFT-CXUHLZMHSA-N 319.158 2.919 50 40 DFGB Cc1ccc(/C=N/NC(=O)COc2c(C)cccc2C)c(O)c1 220875 YCXIGLYYBORGAT-VXLYETTFSA-N 312.369 2.847 50 40 DFGB CC(/C=C/c1cccc([N+](=O)[O-])c1)=N/NC(=O)c1cccnc1 354613 IGPPGDZUXAZAEQ-COKRBVQGSA-N 310.313 2.809 50 40 DFGB O=C(CBr)c1cc2c(cc1Br)OCO2 1859361 YBCAPCCMFORGRA-UHFFFAOYSA-N 321.952 2.755 50 40 DFGB O=C(O)CC/C(=N\NC(=O)c1ccc(F)cc1)c1ccccc1 6227328 NXLWBCWLWRIVBA-XDJHFCHBSA-N 314.316 2.825 50 40 DFGB Fc1ccc(CNC2=NC[C@H](CBr)S2)cc1 5750498 YMXKZZPVPISTCP-JTQLQIEISA-N 303.200 2.782 50 40 DFGB N#C/C(C(=O)CN1CCCC1)=C1\NC(c2ccccc2)=CS1 25514456 RJPDSGKVYSTUER-VKAVYKQESA-N 311.410 2.721 50 40 DFGB CC(C)N(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)CCl 79392546 WJZPXQIXMMWSPI-LBPRGKRZSA-N 318.845 2.719 50 40 DFGB CCOc1cc(/C=N\NC(=O)c2ccccc2O)ccc1OC 38377059 YYGLFSFTLGXMFW-WQRHYEAKSA-N 314.341 2.563 50 40 DFGB COc1ccc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)cc1 83292884 BCHKLPFZAFWPFC-AMRJIULGSA-N 312.369 2.659 50 40 DFGB Nc1cccc([C@H](Br)[C@@H](Br)C(=O)O)c1 97950075 YWKGMSUIJCYVNW-JGVFFNPUSA-N 322.984 2.553 50 40 DFGB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Cl)cc2)C1 16806762 VYXFZARMKJQGET-PHIMTYICSA-N 315.822 2.732 50 40 DFGB O=C(N/N=C/c1cccnc1)c1ccccc1Br 254227 FOFKENPMWRYHAP-CXUHLZMHSA-N 304.147 2.608 50 40 DFGB O=C(CC[C@@H]1CCCCC12OCCO2)N/N=C/c1ccccc1 500265 ZPZYDXJWSSNHNS-TWQQJCIXSA-N 316.401 2.850 50 40 DFGB C[C@H](Oc1ccc(Cl)cc1)C(=O)NN=Cc1ccncc1 16322372 VQTDQYGVZQXHLG-NSHDSACASA-N 303.749 2.653 50 40 DFGB O=C(NNC1=C(C(=O)C(F)(F)F)CCC1)c1cccc(F)c1 409097783 HIVDDSMMXVTWTB-UHFFFAOYSA-N 316.254 2.630 50 40 DFGB COc1ccc(CC(=O)N/N=C\c2sccc2C)cc1OC 36144883 SPXDUOSJSXJBCH-YVLHZVERSA-N 318.398 2.767 50 40 DFGB COC(=O)[C@H](Cl)c1cccc2c1C(=O)c1ccccc1C2=O 5660340 IEIWYRUTSURTQZ-CQSZACIVSA-N 314.724 2.915 50 40 DFGB CC(C)NC(=O)/C(C#N)=C/c1cnn(-c2ccc(Cl)cc2)c1 40139630 ZCZUFLXDFIJESQ-NTUHNPAUSA-N 314.776 2.957 50 40 DFGB CCc1nc(CCNC(=O)/C(C#N)=C\c2ccco2)sc1C 78403208 KVHLNIBJTGQUAJ-XFXZXTDPSA-N 315.398 2.873 50 40 DFGB C/C(=N\NC(=O)c1c(C)nc2ccccn12)c1ccc(C#N)cc1 4864990 HPRRRTWAAGBYNH-CIAFOILYSA-N 317.352 2.668 50 40 DFGB Cc1cc(C(=O)NNC(=O)Nc2cccc(C)c2C)c(C)o1 95460800 MFAFIKVNWJWNOP-UHFFFAOYSA-N 301.346 2.980 50 40 DFGB Cc1cccc(OCC(=O)N/N=C\c2ccc(F)cc2)c1C 30838760 IRHJDAKKJRYLEP-GRSHGNNSSA-N 300.333 2.972 50 40 DFGB Cc1ccc(C(=O)N/N=C/c2ccc(F)cc2)cc1[N+](=O)[O-] 5942712 JWYLEGXUFRNDTL-RQZCQDPDSA-N 301.277 2.806 50 40 DFGB COc1cc(N2CCC(Br)CC2)ccc1[N+](=O)[O-] 52507907 YEIOCGHCVVIDRO-UHFFFAOYSA-N 315.167 2.967 50 40 DFGB COc1ccc(/C(C)=N/NC(=O)NC2CCCCC2)c(O)c1 5505939 QPKBMQWDISNHBZ-WOJGMQOQSA-N 305.378 2.757 50 40 DFGB CC/C(=N\NC(=O)c1cccnc1)c1ccc(OC)c(OC)c1 20754610 UISQELNHCXUPML-XMHGGMMESA-N 313.357 2.643 50 40 DFGB COc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1C 408965064 FYFGEGUBUOXRII-KEBDBYFISA-N 311.316 2.778 50 40 DFGB CC(C)COc1ccc(/C=C(\C#N)C(N)=O)cc1Br 408604086 SHLUAZRLWHZXCJ-VZUCSPMQSA-N 323.190 2.876 50 40 DFGB C=CCOc1c(Cl)cc(/C=C(\C#N)C(N)=O)cc1OCC 408871924 ZQMLEUZEKHABBV-IZZDOVSWSA-N 306.749 2.696 50 40 DFGB CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCCN(C(=O)CCl)C1 79408939 CSQZISBHTXYBDO-LBPRGKRZSA-N 316.829 2.616 50 40 DFGB O=c1c2ccccc2oc2cc(NS(=O)(=O)CCl)ccc12 255188801 LSOJSMKVABIJHM-UHFFFAOYSA-N 323.757 2.884 50 40 DFGB COC(=O)N[C@@H](CI)c1ccccc1 5605761 RPGPHTCXKBGYRX-VIFPVBQESA-N 305.115 2.519 50 40 DFGB O=C(CCl)Nc1ccccc1NS(=O)(=O)c1ccccc1 30822900 DVRGGARKHPVRTG-UHFFFAOYSA-N 324.789 2.665 50 40 DFGB COc1ccc(C(=O)N/N=C/c2ccc(N3CCCC3)o2)cc1 59138258 FBYRVTSCEZXCKG-LDADJPATSA-N 313.357 2.652 50 40 DFGB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)NNC(=O)c1ccccc1F)C2 100261583 DQFDOGWOUFBTGD-XIKOKIGWSA-N 316.376 2.969 50 40 DFGB Cc1ccc(/C=N\NC(=O)c2cccnc2)cc1Br 408973453 SJQSHXHHMUPXIB-IUXPMGMMSA-N 318.174 2.916 50 40 DFGB O=C1c2ccccc2C(=O)N1c1cncc(CBr)c1 90411668 CURVTBUTMQTNFW-UHFFFAOYSA-N 317.142 2.777 50 40 DFGB CC(C)(C)NC(=S)NNC(=O)c1ccc(Cl)cc1Cl 14895307 CENXMKPTUGOZHZ-UHFFFAOYSA-N 320.245 2.901 50 40 DFGB C/C(=N\NC(=O)c1ccc(N)cc1)c1ccc(-n2ccnc2)cc1 13141767 MWCNXEUJHZZCDW-FYJGNVAPSA-N 319.368 2.609 50 40 DFGB COc1ccc(OC)c(/C=N\NC(=O)[C@H]2[C@@H]3CCCC[C@@]32C)c1 16606260 NLJBFDQRIPHXFJ-MVSBUMKJSA-N 316.401 2.980 50 40 DFGB O=C(NC[C@@H]1CCCO1)NN=C1c2ccccc2-c2ccccc21 64911912 VJOMECXOQAYTMO-ZDUSSCGKSA-N 321.380 2.898 50 40 DFGB CC(C)(C)OC(=O)N(C[C@@H]1CCCN1C(=O)CCl)C1CC1 79408915 FYAOKCBVHYMHQY-LBPRGKRZSA-N 316.829 2.616 50 40 DFGB CCOC(=O)/C(C#N)=C/Nc1cc(C)c(C(=O)OCC)s1 100753250 ISOPFLOAHSYEHO-CSKARUKUSA-N 308.359 2.616 50 40 DFGB C[C@@H](NC(=O)NNC(=O)c1ccccc1)c1ccccc1F 45127596 FLAKTPHIEPVRBX-LLVKDONJSA-N 301.321 2.531 50 40 DFGB Cc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])s1 35057161 STXWBZNVPRQZID-DHDCSXOGSA-N 303.343 2.658 50 40 DFGB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N/N=C1/CCc2ccccc21 97991993 QXBPLPWTSVHMQB-HZWATPOSSA-N 319.364 2.792 50 40 DFGB CC(C)c1ccc(/C=C/C(=O)NNC(=O)c2ccncc2)cc1 569229 XNUKMTLNNIOOEZ-VMPITWQZSA-N 309.369 2.679 50 40 DFGB O=C(N/N=C/c1cc(Br)ccc1O)c1ccccc1 130838 BBPGNLOAUFUFGE-CXUHLZMHSA-N 319.158 2.919 50 40 DFGB CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)CSc1nncs1)C2 102273169 CHWUHRHYAHNXJI-XUSCPNCUSA-N 324.475 2.949 50 40 DFGB COc1ccc(/C=N/NC(=O)c2cn(C)c3ccccc23)cc1O 550435 NQOYXTDNILKNHL-VXLYETTFSA-N 323.352 2.656 50 40 DFGB CC(C)=CC(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C 22929555 WKMPMMYNGWXYPV-UHFFFAOYSA-N 311.385 2.821 50 40 DFGB COc1ccccc1OCC(=O)N/N=C1/CCc2ccccc21 8670989 LAOPSSLLEAESFR-CYVLTUHYSA-N 310.353 2.541 50 40 DFGB COc1cc(C)c(/C=N/NC(=O)c2cccc(F)c2)cc1OC 408549212 QVUMPYYKLJVWTC-VXLYETTFSA-N 316.332 2.915 50 40 DFGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C(\C)c1cccs1 409250915 NKWOUWBCRMYMJV-OQLLNIDSSA-N 319.342 2.819 50 40 DFGB O=C(CCc1cc2ccccc2o1)NNC(=O)c1cccs1 8328966 JZCCJRUORJYCFI-UHFFFAOYSA-N 314.366 2.888 50 40 DFGB O=C(NNc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1 59417516 CAOOCGGMZZPMPF-UHFFFAOYSA-N 314.326 2.961 50 40 DFGB COc1ccc(/C=C/C(=O)NN)cc1OCc1ccc(C)cc1 216900505 SZPONAWUEQAXGU-CSKARUKUSA-N 312.369 2.586 50 40 DFGB CC(/C=C/c1ccco1)=N/NC(=O)[C@@H]1COc2ccccc2O1 192775 IUJWBXOCIVRDJU-HHYBDPOESA-N 312.325 2.625 50 40 DFGB O=C(NNC(=S)NC1CCCCC1)c1c[nH]c2ccccc12 16184406 BWTVHVYKVWHMFB-UHFFFAOYSA-N 316.430 2.610 50 40 DFGB N#CC1=C(N)OC2=C(CCC[C@@H]2O)[C@@H]1c1cccc(Cl)c1 125773 SUNPSVNZDLHGJS-KBPBESRZSA-N 302.761 2.947 50 40 DFGB O=C(NNC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 141940 NZODAIFZVAENOU-UHFFFAOYSA-N 308.259 2.780 50 40 DFGB CC(C)(C)NC(=S)NNC(=O)c1ccc(C(C)(C)C)cc1 5274175 VJQRYJXVXAYIBW-UHFFFAOYSA-N 307.463 2.892 50 40 DFGB C/C(=N\NC(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 13842480 NEZJQINPDWBEMQ-LICLKQGHSA-N 301.277 2.888 50 40 DFGB O=S(=O)(N[C@@H](c1ccccc1)C(Cl)Cl)C(F)(F)F 269652 KAECIWUNRQRUQK-ZETCQYMHSA-N 322.135 2.971 50 40 DFGB Cc1nc(N)sc1C(=O)N/N=C/c1c(F)cccc1Cl 139674 YEGCYRXWTFSPPJ-FZSIALSZSA-N 312.757 2.590 50 40 DFGB O=C(NNC(=S)NCc1ccccc1)c1ccc(Cl)cc1 6447657 XPUOIRLHKWHDSA-UHFFFAOYSA-N 319.817 2.649 50 40 DFGB CCCN1CCC(=NNC(=O)c2ccc(OCC)cc2)CC1 5468441 WDTNYRGZXXYDRX-UHFFFAOYSA-N 303.406 2.677 50 40 DFGB O=C(CCl)NCC1(c2ccc3c(c2)OCCO3)CCCC1 6527238 BBGNLNIYKSRREN-UHFFFAOYSA-N 309.793 2.625 50 40 DFGB O=C(CSCc1ccccc1)NNC(=O)c1ccc(F)cc1 8205367 FZQJQVHLICLCSJ-UHFFFAOYSA-N 318.373 2.520 50 40 DFGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(O)c(Br)c1 408805461 KGJOQRWBXOKDCV-VKRGWIQLSA-N 323.190 2.976 50 40 DFGB N#Cc1ccccc1C(=O)[C@H](Br)CBr 307539310 UHJRBRBNHOQSRO-SECBINFHSA-N 316.980 2.899 50 40 DFGB COc1ccc(/C=N\NC(=O)c2ccccc2Cl)cc1O 33286703 WHUIOVAEOBOYMU-MFOYZWKCSA-N 304.733 2.818 50 40 DFGB CC(C)N(Cc1ccnc(Br)c1)C(=O)CCl 79421695 IGFOABHDKUYZHR-UHFFFAOYSA-N 305.603 2.820 50 40 DFGB CC1=C(C#N)C(c2cccc(CO[N+](=O)[O-])c2)C(C#N)=C(C)N1 39086403 BDNHGBCUDYAAJJ-UHFFFAOYSA-N 310.313 2.677 50 40 DFGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccccc1-n1cccc1 279110 ZFABSKIWHBYPGJ-GZTJUZNOSA-N 324.296 2.742 50 40 DFGB C[C@@H]1[C@@H](C)N(C(=O)CCl)c2ccccc2N1C(=O)CCl 1724061 FVCSHCORWAOAEB-NXEZZACHSA-N 315.200 2.621 50 40 DFGB C[C@]1(c2ccc(Cl)cc2)C(C#N)=C(N)NC(S)=C1C#N 3189286 OSGVFDMJOBPUKG-AWEZNQCLSA-N 302.790 2.560 50 40 DFGB Cn1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c2ccccc21 2670627 PULFNWVMNXXPFI-QGZVFWFLSA-N 319.364 2.993 50 40 DFGB NNC(=O)c1ccc(OCc2ccccc2)c(Br)c1 66056534 LVRPLQGHMRLSSC-UHFFFAOYSA-N 321.174 2.632 50 40 DFGB C/C(=N\NC(=O)c1ccc(CN2CCOCC2)cc1)C(C)(C)C 408788879 GDJSWQUNYIBNSK-XMHGGMMESA-N 317.433 2.671 50 40 DFGB O=C1C=C(NNC(=O)c2ccccc2O)C[C@@H](c2ccccc2)C1 268471 OLHHWUVTBAZPRL-CQSZACIVSA-N 322.364 2.657 50 40 DFGB COc1cc(OC)c(C(=O)CCl)c(OC(C)=O)c1Cl 1762020 WHHQPPWENMBXBZ-UHFFFAOYSA-N 307.129 2.704 50 40 DFGB Cc1ccn2c(C(=O)N/N=C/c3ccc(F)cc3)c(C)nc2c1 59459790 ZNCQHZCCDQRNFB-VXLYETTFSA-N 310.332 2.854 50 40 DFGB COc1ccc(/C=C(/C#N)C(=O)N2CCC(C)CC2)c(OC)c1 27016106 IHXFZSPRIBFCQE-GDNBJRDFSA-N 314.385 2.869 50 40 DFGB COc1ccc(SCC(=O)N/N=C\c2ccsc2)cc1 28630145 NTBQFKYZWWUGCE-NVNXTCNLSA-N 306.412 2.999 50 40 DFGB CCOc1ccccc1/C=N\NC(=O)Cc1ccc(F)cc1 36224006 MIPRZZMBTNOSNA-UNOMPAQXSA-N 300.333 2.917 50 40 DFGB O=C(Nc1ccccc1)[C@H](Br)C(=O)C(F)(F)F 257197875 LZLLBMGQXNQNPH-SSDOTTSWSA-N 310.069 2.520 50 40 DFGB CCOc1ccc(/C=N/NC(=O)c2ccc(C)o2)cc1OC 573545 QPEUXGSSIQMPMN-LICLKQGHSA-N 302.330 2.759 50 40 DFGB O=C(N/N=C/c1ccc(O)cc1)c1ccccc1NC(=O)C1CC1 1741382 CIUKPANDMRDRQI-YBFXNURJSA-N 323.352 2.505 50 40 DFGB COc1ccc(/C(=N/NC(N)=O)C2CCCCC2)c(OC)c1 5720330 ZBDDHHIJAWDMGY-OBGWFSINSA-N 305.378 2.657 50 40 DFGB Cc1ccc2cc(/C=C(/C#N)C(N)=O)c(N3CCCCC3)nc2c1 20407916 AAISUDVSXFOHOW-WJDWOHSUSA-N 320.396 2.926 50 40 DFGB O=C(N/N=C/c1ccc(O)cc1)c1cc(-c2ccccc2)n[nH]1 9274121 VUCZSMKNKTYUCJ-WOJGMQOQSA-N 306.325 2.546 50 40 DFGB Cc1ccsc1/C=N/NC(=O)C(=O)Nc1ccccc1Cl 13922855 BWCWCVIYVMEAQV-LZYBPNLTSA-N 321.789 2.799 50 40 DFGB CCOc1ccc(/C=C(\C#N)C(=O)NCCOC)c2ccccc12 5006558 IHDGCXSOWJJCNE-NTCAYCPXSA-N 324.380 2.908 50 40 DFGB CCOC(=O)c1[nH]c2cccc3c2c1C[C@@H](Br)C3=O 1568715 NOTGKWNERPTYSN-SECBINFHSA-N 322.158 2.847 50 40 DFGB C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(F)cc1F 8103185 BPJRAGRZIPGXMX-DJKKODMXSA-N 318.279 2.848 50 40 DFGB CCCCC[C@H]([C@H](O)C#N)C(O)(C(F)(F)F)C(F)(F)F 73371851 XPNRJHDSUWETBF-HTQZYQBOSA-N 307.234 2.923 50 40 DFGB O=C(CI)NC12CC3CC(CC(C3)C1)C2 72226333 ZJLGCWVWKXPRDX-UHFFFAOYSA-N 319.186 2.506 50 40 DFGB O=S(=O)(N=S(CCCl)CCCl)c1ccccc1 5191157 AWFSYURFXOXUHB-UHFFFAOYSA-N 314.259 2.655 50 40 DFGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)NC(C)C)c(OC)c1 1410898 WSPOZFVNDVEWKV-XNTDXEJSSA-N 315.417 2.973 50 40 DFGB COc1ccccc1NC(=O)NNc1ccccc1[N+](=O)[O-] 7141392 FPNBOFMSEMAGFM-UHFFFAOYSA-N 302.290 2.752 50 40 DFGB Cc1cc(C(=O)N/N=C/c2c(Cl)[nH]c3ccccc23)[nH]n1 8026388 HBHHMGDHJXJXDN-FRKPEAEDSA-N 301.737 2.617 50 40 DFGB N#Cc1ccc(C(=O)[C@@H](Br)CBr)cc1 307747277 YECMUECZYWPLES-VIFPVBQESA-N 316.980 2.899 50 40 DFGB Cc1cc(C)n(CC(=O)N/N=C\C2=CC[C@H]3C[C@H]2C3(C)C)n1 585139655 OSKZAFLEYURSLU-DFRVXPHVSA-N 300.406 2.594 50 40 DFGB C/C(=N/NC(=O)C[n+]1ccccc1)c1ccc(Cl)c(Cl)c1 5826581 LWZPDTMOXINVDD-WQRHYEAKSA-O 323.203 2.821 50 40 DFGB N#CCCn1cc(/C=C(\C#N)C(N)=S)c(-c2ccccc2)n1 3308155 NXBPNRFVIPVWKB-UKTHLTGXSA-N 307.382 2.657 50 40 DFGB COc1ccc(OC)c(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@@]32C)c1 5175568 NLJBFDQRIPHXFJ-OPDQTMHHSA-N 316.401 2.980 50 40 DFGB COc1cc(CN(CCCl)CCCl)cc(OC)c1OC 1681292 OBMIGKVJLZEUEV-UHFFFAOYSA-N 322.232 2.992 50 40 DFGB COc1ccc(CC(=O)N/N=C\c2cc(C)c(O)c(C)c2)cc1 109393461 RYNAFMRXGMMTHX-ODLFYWEKSA-N 312.369 2.710 50 40 DFGB CC[C@H](Br)C(=O)Nc1ccc(C(=O)OC)cc1 61487837 DTJKGHATRZANBB-JTQLQIEISA-N 300.152 2.585 50 40 DFGB C#CCn1cc(/C=N/NC(=O)c2ccccc2O)c2ccccc21 409373627 XZMVPMRXTJJOGJ-UDWIEESQSA-N 317.348 2.744 50 40 DFGB O=C1c2cc(F)cc(Br)c2O[C@H]1Br 169797331 QJPGQFYSBJEOFR-MRVPVSSYSA-N 309.916 2.884 50 40 DFGB Cc1n[nH]c(C)c1NC(=O)c1ccccc1NC(=O)[C@@H](C)Cl 14404777 PYGVBYSGQMOHNR-MRVPVSSYSA-N 320.780 2.845 50 40 DFGB CC/C(Cc1ccccc1)=N\NC(=O)[C@@H]1COc2ccccc2O1 6046280 IUPBNTJACDKLJT-XTFSCAMASA-N 324.380 2.951 50 40 DFGB CCc1cc(C(=O)NNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)cs1 102599769 REPSGWTWMZGFBL-OUJBWJOFSA-N 323.487 2.608 50 40 DFGB O=C(NNC(=O)c1ccccc1O)Nc1ccc(Cl)cc1 2742906 OWUOHKXERHFXOV-UHFFFAOYSA-N 305.721 2.512 50 40 DFGB O=C1C=C(NNC(=O)Cc2ccccc2)C[C@H](c2ccccc2)C1 4599795 TZQPQVXSAHQNTR-KRWDZBQOSA-N 320.392 2.881 50 40 DFGB CC(=O)NNC(=O)c1cc2cc(Oc3ccccc3)ccc2n1C 4675990 YRKSMXUKMWNRML-UHFFFAOYSA-N 323.352 2.752 50 40 DFGB CC(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 409012665 REHHNAQNBLLTRM-FRKPEAEDSA-N 306.705 2.768 50 40 DFGB Cn1cccc1/C=N\NC(=O)COc1cccc2ccccc12 409097605 MQYMMWYAUJTDQS-UNOMPAQXSA-N 307.353 2.707 50 40 DFGB C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccncc1 93743 VQTDQYGVZQXHLG-HPAYWCODSA-N 303.749 2.653 50 40 DFGB O=C(N/N=C/c1ccc(O)c(O)c1)C12CC3CC(CC(C3)C1)C2 4737619 JZGIBQZHYOABRY-VXLYETTFSA-N 314.385 2.764 50 40 DFGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(O)cc2)[C@H]2CCCC=C12 19287774 ZOCRMFXOQMNDGL-RDJZCZTQSA-N 316.364 2.986 50 40 DFGB C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1O)c1cccs1 409082865 TXUODXKZPNKBQR-RIYZIHGNSA-N 305.315 2.516 50 40 DFGB CCOc1ccc(/C=N\NC(=O)c2ccccc2O)cc1OC 33281462 AKCNAUAKEZLLES-WQRHYEAKSA-N 314.341 2.563 50 40 DFGB CC(=O)C1=NN(c2ccccc2)C(N)=C(C#N)[C@H]1c1ccccc1 35245651 OHXHBBFKRHVIAZ-QGZVFWFLSA-N 316.364 2.929 50 40 DFGB O=C(CCl)N1CCC[C@@H](N(Cc2ccccc2)C2CC2)C1 79415090 FMUIWDOJFAWWHV-MRXNPFEDSA-N 306.837 2.881 50 40 DFGB O=C(NNc1cccc(Br)c1)c1ccccc1O 96997790 JAKKQUQCAITKNO-UHFFFAOYSA-N 307.147 2.912 50 40 DFGB CC1=CC(C)(C)N([C@H](C(=O)NN)C(C)C)c2ccc(F)cc21 260624957 XAKHNURYTKNJPE-HNNXBMFYSA-N 305.397 2.842 50 40 DFGB CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)c2ccco2)c1 1791014 BHPGZRNAALMYJP-UKTHLTGXSA-N 311.293 2.969 50 40 DFGB CCOC(=O)[C@@H](/C(C)=N/NC(=O)CCc1ccccc1)C(C)C 4394120 NJBCQNVCOBVLAF-GMYFBSLISA-N 318.417 2.947 50 40 DFGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1cc2ccccc2o1 550541 IQJKGOIRIGLTIV-GIJQJNRQSA-N 308.293 2.925 50 40 DFGB CCOc1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 546419 IHNBAKPYTKNJGJ-VCHYOVAHSA-N 312.325 2.578 50 40 DFGB O=C(O)CCSSCCNC(=O)OCc1ccccc1 1626946 KYQDVSIQUSTXKD-UHFFFAOYSA-N 315.416 2.769 50 40 DFGB COc1ccc(CC(=O)N/N=C(/C)c2cccs2)cc1OC 6492690 ARBBVCQWBRQREI-BOPFTXTBSA-N 318.398 2.848 50 40 DFGB O=C(N/N=C/c1cccc(O)c1)c1ccccc1-n1cccc1 7889932 IULLLGPUNYHGRV-CPNJWEJPSA-N 305.337 2.947 50 40 DFGB Cc1ccc(C(=O)NNC(=O)CCOc2cccc(C)c2)cc1 2629220 PRGQJTVEEIDBDJ-UHFFFAOYSA-N 312.369 2.534 50 40 DFGB O=C(COc1ccccc1[N+](=O)[O-])NN=C1CCCCCC1 8345431 SFHOSVPWFOTRAB-UHFFFAOYSA-N 305.334 2.800 50 40 DFGB O=C(COc1ccc2ccccc2c1)N/N=C\c1cccnc1 32114607 ZNGDZZJBXUENQJ-NDENLUEZSA-N 305.337 2.764 50 40 DFGB CC1=CC(C)(C)N2C(=O)C(=C(C#N)C#N)c3c4c(cc1c32)OCO4 541311 WIWIMPSGOBZXMP-UHFFFAOYSA-N 319.320 2.758 50 40 DFGB C[C@H]1[C@@H](C)N(C(=O)CCl)c2ccccc2N1C(=O)CCl 1724060 FVCSHCORWAOAEB-AOOOYVTPSA-N 315.200 2.621 50 40 DFGB O=C(NNC1=C(C(=O)C(F)(F)F)CCC1)c1ccc(F)cc1 32100002 SPIKASLBVBPXBQ-UHFFFAOYSA-N 316.254 2.630 50 40 DFGB O=C1c2ccccc2C(=O)N1c1cccc(CBr)n1 34416918 CFKHXBFNPRUFKZ-UHFFFAOYSA-N 317.142 2.777 50 40 DFGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccnc2)[C@@H]2CCCC=C12 19806041 SKHUSYJUUFUCRA-ZBFHGGJFSA-N 301.353 2.675 50 40 DFGB O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1cccnc1 66890 FUFBFDCRRIMAQF-REZTVBANSA-N 310.140 2.858 50 40 DFGB O=C(NNC(=O)C(F)(F)F)c1ccc(-c2ccccc2)cc1 125528 VXUBQDCEWBGDFQ-UHFFFAOYSA-N 308.259 2.677 50 40 DFGB Cc1cc(C)nc(NNC(=O)Cc2ccc3c(c2)CCCC3)n1 21127086 LJGOAWWVABQYLD-UHFFFAOYSA-N 310.401 2.658 50 40 DFGB COc1ccc(Cl)cc1C(=O)N/N=C/c1ccc(O)c(O)c1 369549 OJLNEWYZIBNJCL-CAOOACKPSA-N 320.732 2.524 50 40 DFGB COC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 459744 QWIOQKLXOSPCHH-OVCLIPMQSA-N 319.273 2.553 50 40 DFGB CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(OC)c(OC)c(OC)c1 408800498 NAVCGDIOKKQAIU-DELQEKLWSA-N 318.373 2.534 50 40 DFGB COc1cc(C(=O)NN)ccc1OCc1ccc(Cl)cc1 226306107 NTXICBZFCHPHLW-UHFFFAOYSA-N 306.749 2.531 50 40 DFGB N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)NC[C@H]1CCCO1 37470 RMFHJEFYUHZBKF-WEKMIXOTSA-N 324.302 2.908 50 40 DFGB CCC(=O)Nc1ccc(-c2csc(NNC(C)=O)n2)cc1 535654 JACCDCRNSLHPKN-UHFFFAOYSA-N 304.375 2.622 50 40 DFGB CC1(C)[C@]2(C(=O)O)CC[C@]1(C)/C(=N/NC(=O)c1ccco1)C2 100920574 CVIUSHARRRYTTR-KDUYSQSBSA-N 304.346 2.666 50 40 DFGB O=C1O[C@H]2C[C@]34CCCC[C@]3(C[C@@H]2I)[C@@H]14 104282055 PEFIJDLONBYQKX-NFQPTNBHSA-N 318.154 2.686 50 40 DFGB O=C(Cl)c1cc(N2CCCCS2(=O)=O)ccc1Cl 11691810 CIAIKRGVJKZMEO-UHFFFAOYSA-N 308.186 2.649 50 40 DFGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1C 4486982 VNQUJPCXTPGUMX-INIZCTEOSA-N 310.353 2.806 50 40 DFGB C/C(=N\NC(=O)COc1ccc(Br)cc1)C1CC1 4543507 SFVYPRWVSHJPAP-OQLLNIDSSA-N 311.179 2.730 50 40 DFGB CCNC(=S)NNC(=O)c1sc2ccccc2c1Cl 6939180 HABCUPOUWLKCMW-UHFFFAOYSA-N 313.835 2.684 50 40 DFGB COc1ccc(C(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)cc1 8228813 OOBKDXIVDFBHJG-GZTJUZNOSA-N 313.313 2.757 50 40 DFGB O=C(O)[C@@H](Br)Cc1ccccc1Br 82238079 SFVUITHOVMQZHP-QMMMGPOBSA-N 307.969 2.840 50 40 DFGB N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1ccsc1 33445 MTPLAKVYWSDDMG-CYBMUJFWSA-N 321.361 2.808 50 40 DFGB CCOc1ccccc1[C@@H]1C(C#N)=C(SC)NC(=O)[C@@H]1C#N 9088533 ACJTUEFXZGJJGH-RISCZKNCSA-N 313.382 2.537 50 40 DFGB O=C(N/N=C\c1ccc(N2CCCCC2)o1)c1ccccc1O 98087257 NKUPNWZORWRVDO-PDGQHHTCSA-N 313.357 2.739 50 40 DFGB CC1(CC(=O)N/N=C/c2cccc3ccccc23)OCCCO1 408719093 IUVCECZCKOHNJD-CPNJWEJPSA-N 312.369 2.833 50 40 DFGB COc1ccc(/C=N\NC(=O)[C@H](C)Oc2cccc(C)c2)cc1 32511869 TYYPDKUMNWGUSF-YQNUULROSA-N 312.369 2.921 50 40 DFGB CC(=O)Nc1ccc(/C=N/NC(=O)/C=C\c2ccccc2)cc1 17024568 GNWOWXPAOBJRBH-CSKCXYSASA-N 307.353 2.809 50 40 DFGB CN1C(=O)[C@@]23SS[C@@]1(C)C(=O)N2c1ccccc1C3(C)C 104199691 RMFWVAHDWWKNMY-GJZGRUSLSA-N 320.439 2.590 50 40 DFGB CCn1c(C)cc(/C=N\NC(=O)Cc2ccc(F)cc2)c1C 409225039 JKPNJMKJQUBNFI-ODLFYWEKSA-N 301.365 2.957 50 40 DFGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc2c(cc1Cl)OCO2 408805775 LLXGVOUHLKBDIG-VMDVGJCFSA-N 306.749 2.890 50 40 DFGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccccc1Cl 408728502 NPPMANFGQMMEOR-GIJQJNRQSA-N 316.744 2.762 50 40 DFGB COc1cc(Cl)c(/C=N/NC(=O)c2cccnc2)cc1OC 221272 VVYWCIIJRJTWHT-GIJQJNRQSA-N 319.748 2.516 50 40 DFGB O=C(NNC(=O)C1[C@H]2CCCC[C@@H]12)Nc1cccc(Cl)c1 17968877 MWCZHKHFVINOGG-FUNVUKJBSA-N 307.781 2.929 50 40 DFGB CCCSC1=C(C#N)[C@H](c2ccc(O)c(OC)c2)CC(=O)N1 2478334 GFHNCVGWDXXYOC-NSHDSACASA-N 318.398 2.883 50 40 DFGB Cc1ccc(C(=O)NNC(=O)CCOc2ccccc2C)cc1 3303704 VLVPJOXKMXVPTA-UHFFFAOYSA-N 312.369 2.534 50 40 DFGB N#CC(NC(=O)c1ccc(Br)o1)=C(Cl)Cl 27662642 UGULCQUNYKLYDD-UHFFFAOYSA-N 309.934 2.942 50 40 DFGB CC/C(=N\NC(=O)Cc1ccc(OC)cc1)c1ccc(O)cc1 4507856 ZFNWMRTVOKLNFE-HTXNQAPBSA-N 312.369 2.874 50 40 DFGB Cc1ccc(OCC(=O)N/N=C\c2ccc(C)cc2O)c(C)c1 4694166 CXVSKTBUCOIFEC-GRSHGNNSSA-N 312.369 2.847 50 40 DFGB COc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)c1 408965062 FWVRVJOCRDODCZ-KEBDBYFISA-N 311.316 2.778 50 40 DFGB Cc1c(NC(=O)CBr)cccc1NC(=O)C1CC1 35605529 DTIMSJLDYQIMRW-UHFFFAOYSA-N 311.179 2.677 50 40 DFGB O=C(NN=Cc1ccc(Br)cc1)c1ccccc1O 252452541 NYFGZXMXYMPJAE-UHFFFAOYSA-N 319.158 2.919 50 40 DFGB O=C(N/N=C\c1ccccc1C(=O)O)c1ccc(Cl)cc1 58885261 FUXRJZCXRZUTQG-MFOYZWKCSA-N 302.717 2.802 50 40 DFGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(C)cc1 409271032 JMQXXNNPHGKSIE-LICLKQGHSA-N 313.313 2.676 50 40 DFGB COc1ccc(N(Cc2cccnc2)C(=O)CCl)cc1OC 199755146 RKMQXPKOFKLZHY-UHFFFAOYSA-N 320.776 2.871 50 40 DFGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1sccc1C 2630608 XPQRQFXTHVQMJU-UHFFFAOYSA-N 324.789 2.793 50 40 DFGB Cc1cccc(O[C@@H](C)C(=O)N/N=C2/CCn3cccc32)c1C 96297773 NAKGBMJIVPVPCM-SQQITKIUSA-N 311.385 2.796 50 40 DFGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc2c(c1)OCO2 5696851 XHFPXMRXVKQFDV-GJOFJMPASA-N 300.358 2.692 50 40 DFGB CC(C)(C)OC(=O)N1CCC(n2cc(CCl)nn2)CC1 575415001 FNDHHANXDGYBNM-UHFFFAOYSA-N 300.790 2.589 50 40 DFGB N#CC1=C(N)N2C(=C(C#N)[C@H]1c1ccncc1)Nc1ccccc12 492661 NBJPDJFRXMHKFI-INIZCTEOSA-N 312.336 2.540 50 40 DFGB O=C(Cl)c1ccc(N2C[C@@H](C(=O)Cl)CC2=O)c(Cl)c1 100680339 KMLOYORLJOMDQU-ZETCQYMHSA-N 320.559 2.837 50 40 DFGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(N(C)C)o1 2749496 OPZQKVQCBWIGHG-ZRDIBKRKSA-N 311.341 2.900 50 40 DFGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccco1 5578959 KRYSSIYNZAPIQZ-UHFFFAOYSA-N 302.374 2.647 50 40 DFGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2O)cc1 566309 KIZRNJHVBQIQEY-XYOKQWHBSA-N 310.309 2.652 50 40 DFGB N#C/C(=C/[C@@H]1CC[C@H]2OCO[C@@H]2C1)C1CCC([N+](=O)[O-])CC1 8642167 XYMAGFLDLDRDMP-QQVXOCDASA-N 306.362 2.813 50 40 DFGB N#Cc1c(N)c2c(c(-c3ccco3)c1-c1ccco1)C(=O)OC2=O 100163147 ZGVBARQZWDAORD-UHFFFAOYSA-N 320.260 2.971 50 40 DFGB C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc(O)c(O)c1 62787720 UGMWCWVDEWGSFI-WTQAEKLLSA-N 310.353 2.742 50 40 DFGB O=C(N/N=C/c1ccc(OC/C=C/Cl)cc1)c1ccncc1 3085724 SGJIGZCRZVFISK-ZYYDIRSESA-N 315.760 2.977 50 40 DFGB O[C@@H](CBr)C[n+]1cccc2cc(Cl)ccc21 1595136 JRVJZKRJRRJGBH-NSHDSACASA-N 301.591 2.537 50 40 DFGB Cc1ccc(NC(=O)/C(C#N)=C2\C(=O)N(C)c3ccccc32)cc1 59146108 MDVJVUVCOLRXTF-ICFOKQHNSA-N 317.348 2.887 50 40 DFGB C[C@H](Br)C(=O)NC1=C(C#N)[C@@H]2CCC[C@@H]2S1 4872047 HWZYDWHXBXTAKG-ZKWXMUAHSA-N 301.209 2.537 50 40 DFGB CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)OC(=O)[C@H]12 68572341 XBXLNFDKAGAPGL-MVYVIFSASA-N 304.345 2.941 50 40 DFGB COc1cccc(C(=O)N/N=C/c2cn(C)c3ccccc23)c1 34195337 YPRVBVOGPNUBTC-YBFXNURJSA-N 307.353 2.951 50 40 DFGB O=S(=O)(c1ccccc1CBr)C(F)(F)F 91252547 MXLZAAWGZBYFBC-UHFFFAOYSA-N 303.099 2.875 50 40 DFGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OC 59334617 ONRGNYNUTHKHFG-WDZFZDKYSA-N 308.765 2.742 50 40 DFGB NNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 103291105 SNUIZJUIIYFGJS-UHFFFAOYSA-N 312.760 2.796 50 40 DFGB N#CCCn1cc(/C=C(\C#N)C(=O)O)c(-c2ccc(F)cc2)n1 6509613 UGQLJDVPIJONSQ-XYOKQWHBSA-N 310.288 2.594 50 40 DFGB O=C(Cn1ccc2ccccc21)N/N=C/c1ccc([N+](=O)[O-])cc1 4676321 FWDCOJZARGRQHH-WOJGMQOQSA-N 322.324 2.700 50 40 DFGB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NNC(=O)c2ccccc2)o1 16200575 UBBUCPPRTLHPDX-OGETYJQASA-N 310.353 2.877 50 40 DFGB COc1ccc(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc1OC 135891958 SJSMAYIKPRLJRB-XRBXTVCRSA-N 316.401 2.980 50 40 DFGB COc1ccc(CC(=O)OC(=O)Cc2ccc(OC)cc2)cc1 100004970 KYCAEIXHUXBNTQ-UHFFFAOYSA-N 314.337 2.559 50 40 DFGB in-vitro C#CCn1cc(/C=N/NC(=O)c2ccccc2N)c2ccccc21 573277 WYBNBGHBESWTIV-CIAFOILYSA-N 316.364 2.621 50 40 DFGB CC(=O)Nc1ccc(/C=N/NC(=O)NC2CCCCC2)cc1 3220399 BDWZPMHDRZFKQX-GZTJUZNOSA-N 302.378 2.611 50 40 DFGB CC(C)c1ccc(/C=N/NC(=O)CSc2ncccn2)cc1 204891 CFBDPWMDJOKEOV-VXLYETTFSA-N 314.414 2.842 50 40 DFGB CCOC(=O)c1cccn2c([C@H](Cl)CCCl)nnc12 103617026 OHJICBUWSPKPNR-SECBINFHSA-N 302.161 2.815 50 40 DFGB Cc1ccsc1C(=O)NNC(=O)Cc1ccc(Cl)cc1 24304605 MHDMEBYAQJJOJA-UHFFFAOYSA-N 308.790 2.714 50 40 DFGB C=CCOc1ccccc1/C=N/NC(=O)c1ccc(C#N)cc1 60809789 KTVYKPHQOLZKDE-DEDYPNTBSA-N 305.337 2.887 50 40 DFGB CC[C@H](C(=O)NN)N1c2c(OC)cccc2[C@H](C)CC1(C)C 260616334 IRNZGOFTQSQVTB-DGCLKSJQSA-N 305.422 2.556 50 40 DFGB CCCc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)s1 5130865 APVGLASEONQZEZ-CYBMUJFWSA-N 300.387 2.950 50 40 DFGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(N(C)C)cc1 408750248 YPPZXGGWGRPOKI-XDHOZWIPSA-N 311.385 2.834 50 40 DFGB Cc1n[nH]c(C)c1NC(=O)c1ccc(NC(=O)CCCl)cc1 14404508 ZAKXSCLASZQLRC-UHFFFAOYSA-N 320.780 2.846 50 40 DFGB C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 5175560 VWLWWWJEAAZRFM-OXPNCTETSA-N 301.346 2.871 50 40 DFGB CN(C)C(=O)/C(C#N)=C/c1ccc(-c2cccc(C(=O)O)c2)o1 59333545 TWEBXVPPWHHEHZ-UKTHLTGXSA-N 310.309 2.640 50 40 DFGB C#CCOc1cccc(/C=N\NC(=O)Cc2ccc(C)cc2)c1 409365904 SHXDXCKYGWXNRL-ZHZULCJRSA-N 306.365 2.700 50 40 DFGB COc1ccc(O)c(/C=C(\C#N)C(=O)Nc2ccccc2O)c1 546530 SHERBIDIJCDWEA-XYOKQWHBSA-N 310.309 2.652 50 40 DFGB CCOc1ccccc1/C=N/NC(=O)c1c(C)nc2ccccn12 6210491 KSXAPJMUOJUYQY-XDHOZWIPSA-N 322.368 2.805 50 40 DFGB Cc1ccc(NC(=O)C(=O)N/N=C/C2CCCCC2)c(C)c1 5362661 AKDYCHGQNIUKKS-WOJGMQOQSA-N 301.390 2.924 50 40 DFGB O=C(CSc1ccccn1)N/N=C/c1ccccc1Cl 195914 OIXQHZOCPSDUJI-RQZCQDPDSA-N 305.790 2.977 50 40 DFGB Cc1ccc(-c2cc(C(=O)NN)nn2-c2ccccc2)cc1C 59472490 ZKBZNRYQZJBNDA-UHFFFAOYSA-N 306.369 2.760 50 40 DFGB COc1ccc(O)c(/C=N\NC(=O)c2ccc(Cl)cc2)c1 111686253 DOOACADGGHCMRJ-MFOYZWKCSA-N 304.733 2.818 50 40 DFGB CC(=O)Nc1ccc(/C=N\NC(=O)/C=C\c2ccccc2)cc1 31723723 GNWOWXPAOBJRBH-UXZHGZJPSA-N 307.353 2.809 50 40 DFGB COC(=O)N[C@@H](c1ccccc1)[C@@H](C)I 1712352 YTSCPHGNOGQPJV-PSASIEDQSA-N 319.142 2.907 50 40 DFGB O=C(N/N=C/c1cccc(OC2CSC2)c1)c1ccccc1 59472893 RIKYTMFGMBLVIW-VCHYOVAHSA-N 312.394 2.945 50 40 DFGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 408971404 NXLQUKUFWKGJGL-MRWHSHBSSA-N 317.345 2.577 50 40 DFGB NC(=O)N/N=C/c1cn(Cc2ccccc2F)c2ccccc12 4083292 COQILOUZTIFXFC-AWQFTUOYSA-N 310.332 2.831 50 40 DFGB O=C(NNC(=S)Nc1ccc(Cl)cc1)c1ccccc1 6222768 LXXYNCQFLJKWPX-UHFFFAOYSA-N 305.790 2.971 50 40 DFGB Cn1cc([C@H]2C[C@H]2C(=O)NNc2ccccc2C(F)(F)F)cn1 68422349 WJDRUQNHCOOCFL-GHMZBOCLSA-N 324.306 2.686 50 40 DFGB N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)NCc1cccs1 286687 KVAKOWPEDUYROL-WUXMJOGZSA-N 312.350 2.700 50 40 DFGB C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1cccc(F)c1 23053571 UBJPOVVSOBAZQN-ZVCOJXFSSA-N 314.316 2.506 50 40 DFGB C=CCOc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2C(C)=O)cc1 2258908 KHHVMMHNKAJPSV-QGZVFWFLSA-N 310.353 2.922 50 40 DFGB Cc1cc(NC(=O)NNc2ccc(C(F)(F)F)cn2)no1 32843678 WOUPJJLNICAGNY-UHFFFAOYSA-N 301.228 2.545 50 40 DFGB Cc1cc(C)c(NC(=O)[C@@H]2CCCN2C(=O)CCl)c(C)c1 3154102 MRUZVOWSHYJPJU-ZDUSSCGKSA-N 308.809 2.780 50 40 DFGB Cc1[nH]c2ccccc2c1C(=O)C(=O)NN(C)c1ccccc1 48120269 JRGHUXQHSPIPND-UHFFFAOYSA-N 307.353 2.827 50 40 DFGB CCOC(=O)N/N=C(/C)c1cccc(NC(=O)C(F)(F)F)c1 4142822 OHVBQUUUJVHZFJ-LSCVHKIXSA-N 317.267 2.658 50 40 DFGB COc1cccc(/C=C(\C#N)C(=O)NC2CCCC2)c1OC 4575049 OSLWFCPVCSDISL-JLHYYAGUSA-N 300.358 2.670 50 40 DFGB C/C(=N\NC(=O)c1ccc(Cl)cc1O)c1cccc(N)c1 17031009 UHFLRFPWPIYNFA-GIJQJNRQSA-N 303.749 2.782 50 40 DFGB NNC(=O)c1ccc2[nH]c(-c3cccc4ccccc34)nc2c1 226236702 BGZDLXXRDYUJBG-UHFFFAOYSA-N 302.337 2.987 50 40 DFGB N#CC(C#N)=Cc1ccc(-c2ccc(S(=O)(=O)O)cc2)o1 5045631 UKJHFWBHMPYYFI-UHFFFAOYSA-N 300.295 2.624 50 40 DFGB COc1cc(/C=C(\C#N)C(N)=O)ccc1OCc1ccccc1 342762 UKQAPLBTGADHNQ-OQLLNIDSSA-N 308.337 2.666 50 40 DFGB C/C(=N\NC(=O)c1ccc2c(c1)OCO2)[C@H]1C[C@@H]2CC[C@@H]1C2 100545425 VJIXRXXKKDRDGL-SJXXBQNQSA-N 300.358 2.957 50 40 DFGB C/C(=N/NC(=O)c1cc(C(C)C)n[nH]1)c1ccc([N+](=O)[O-])cc1 4677844 MXERTTLDXJMJOM-YBEGLDIGSA-N 315.333 2.595 50 40 DFGB COc1ccccc1/C=N\NC(=O)c1c(C)nc2cc(C)ccn12 5530277 XARYMMOOYKXVPJ-ODLFYWEKSA-N 322.368 2.724 50 40 DFGB O=C(Cl)c1ccc(N2C[C@H](C(=O)Cl)CC2=O)cc1Cl 100680308 ISVBSPDGXDPKQE-ZCFIWIBFSA-N 320.559 2.837 50 40 DFGB C[C@H]1CN2C[C@H](C)O[Si](CC[Si](C)(C)C)(O1)O[C@H](C)C2 195752880 ZHKCSBPDIVEGKQ-MELADBBJSA-N 317.578 2.808 50 40 DFGB N#C/C(=C/c1ccccc1)C(=O)N1CCN(c2ccccc2)CC1 96597669 MJLDHNZWYGYMLT-SDXDJHTJSA-N 317.392 2.942 50 40 DFGB CCOc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1OC 3572322 KSCNTJVNVNYPIH-YBFXNURJSA-N 316.332 2.997 50 40 DFGB COc1cc(C(=O)NN=C(C2CC2)C2CC2)cc(OC)c1OC 368042 MYMCOJRJPQUIIF-UHFFFAOYSA-N 318.373 2.618 50 40 DFGB O=C(N/N=C/c1ccccc1O)c1ccccc1NC(=O)C1CC1 1739584 FGYBHURXZRAWRM-YBFXNURJSA-N 323.352 2.505 50 40 DFGB O=C1C(CCl)(CCl)CC[C@]12CNC(Cl)(Cl)C2 5519244 YYISALIYDCSBFP-QMMMGPOBSA-N 305.032 2.924 50 40 DFGB COc1ccc(/C=N/NC(=O)Cc2ccc(F)cc2)c(OC)c1 6509393 VWIWRAJBNQWPEP-YBFXNURJSA-N 316.332 2.536 50 40 DFGB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N/N=C/c1cccc(F)c1 8499756 PEKCSSBOFRGIQY-ZICWZVMQSA-N 311.316 2.615 50 40 DFGB Cc1cc(C(=O)NNC(=O)NC2CCCCCCC2)c(C)o1 9877804 ZLLGLTHBHUSRNU-UHFFFAOYSA-N 307.394 2.953 50 40 DFGB C[C@H](Cl)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 13609381 GXONTHMGZIZQHG-JTQLQIEISA-N 320.742 2.981 50 40 DFGB COc1cc(/C=N/NC(=O)CSc2ccccc2)ccc1O 59158601 KTNNLVQMXQSQGV-LICLKQGHSA-N 316.382 2.643 50 40 DFGB CC(C)=CC(=O)NNC(=O)c1ccc(COc2ccccc2)o1 36310256 WZFUTPQJTVCMDI-UHFFFAOYSA-N 314.341 2.586 50 40 DFGB CC(C)C(=O)NN(C(=O)C(C)C)c1nc2ccccc2s1 2283579 ISEZLPFDOOBPIY-UHFFFAOYSA-N 305.403 2.973 50 40 DFGB COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3ccccc32)cc1 408946372 MNAFRQVLBMTDDE-MRXNPFEDSA-N 306.321 2.691 50 40 DFGB COc1ccc(NC(=O)/C(C#N)=C/c2ccco2)c([N+](=O)[O-])c1 408894970 LHIRSMXAGTUZPH-JXMROGBWSA-N 313.269 2.742 50 40 DFGB O=C(COc1ccccc1)N/N=C\c1cc(Cl)ccc1O 36267941 DQUOFKCUIHFUBT-MFOYZWKCSA-N 304.733 2.575 50 40 DFGB Cc1ccc(/C=N/NC(=O)C(=O)Nc2cc(C)ccc2C)cc1 3178076 BUCDONPXZCGEPE-YBFXNURJSA-N 309.369 2.701 50 40 DFGB CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)NCCOC 5006572 LWYGTLIRZOMSAL-NTCAYCPXSA-N 324.380 2.908 50 40 DFGB CN1C(=O)[C@@H](Br)[C@@H](Br)c2ccccc21 1700651 GLGCGJOOASZSEV-IUCAKERBSA-N 318.996 2.863 50 40 DFGB C/C(=N\NC(N)=O)c1cc2ccc1CCc1ccc(cc1)CC2 5002468 YIKXRTHGJQCFTC-FYJGNVAPSA-N 307.397 2.963 50 40 DFGB COc1ccc(SCC(=O)N/N=C\c2ccccc2)cc1 33329000 DTHMHNFJBPNKCU-BOPFTXTBSA-N 300.383 2.938 50 40 DFGB CCCCCCCC(=O)NNC(=O)c1ccccc1C(=O)O 100025012 HADQSEYFWKXUSH-UHFFFAOYSA-N 306.362 2.506 50 40 DFGB O=C(NN=C1[C@@H]2CCC[C@@H]1CC(C(=O)O)C2)c1ccccc1 100867498 AXFPWIVHCXHDGM-ZFXTZCCVSA-N 300.358 2.683 50 40 DFGB O=C1c2ccccc2C(=O)[C@@H](Br)[C@H]1Br 100988041 IUENYQQXKLYFBK-OCAPTIKFSA-N 317.964 2.593 50 40 DFGB COc1ccc(NC(=O)C(=O)NN=C2CCCCCCC2)cc1 59515782 IRTMWGQXTMNEOW-UHFFFAOYSA-N 317.389 2.850 50 40 DFGB CN1/C(=C/C=N/NC(=O)c2cnccn2)C(C)(C)c2ccccc21 105593145 IGNOUMPHLBBWKC-GLRRQXCISA-N 321.384 2.504 50 40 DFGB Cc1ccc(C(=O)NNC(=O)c2ccccc2F)cc1Cl 4551562 QOGCAGLNYFAFKA-UHFFFAOYSA-N 306.724 2.862 50 40 DFGB COc1ccccc1OCC(=O)N/N=C/c1cccc(Cl)c1 59424 WLFAKBNGGRCWSR-VCHYOVAHSA-N 318.760 2.878 50 40 DFGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cccc(O)c32)c(OC)c1 42513 SKJFSGSUJLWYRQ-INIZCTEOSA-N 324.336 2.628 50 40 DFGB CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(F)c2)C(C#N)=C(N)O1 4476297 RKDQKTQCSYXXRI-HNNXBMFYSA-N 316.332 2.859 50 40 DFGB COc1ccc(C(=O)N/N=C2/CCc3ccccc32)cc1OC 13139237 CZCIMXVVPJCGOY-CYVLTUHYSA-N 310.353 2.784 50 40 DFGB CCCOC(=O)c1ccc(NC(=O)N2CC=C(C#N)CC2)cc1 96004110 IFQKGQHQANTCAN-UHFFFAOYSA-N 313.357 2.941 50 40 DFGB CCOC(=O)NNC(=O)Cc1coc2ccc3ccccc3c12 9596524 NSVVTWZSUYCRQC-UHFFFAOYSA-N 312.325 2.906 50 40 DFGB Cc1cc(/C=C(\C#N)C(N)=O)c(C)n1-c1ccc2c(c1)CCC2 7918714 RVLKRUSAWMRLBZ-RQZCQDPDSA-N 305.381 2.975 50 40 DFGB CCCCN1C(=O)/C(=C(\C#N)C(=O)N2CCCC2)c2ccccc21 3265779 ZFJAMAVOYIQGBY-BMRADRMJSA-N 323.396 2.733 50 40 DFGB COc1cccc(/C=N/NC(=O)c2c[nH]c3ccccc23)c1OC 3208951 PBDVHEPHFKUXBP-KEBDBYFISA-N 323.352 2.949 50 40 DFGB O=C(N/N=C\c1ccc(Cl)s1)c1ccc2c(c1)OCO2 12375061 UNUQJLWGMYHYSR-UUASQNMZSA-N 308.746 2.894 50 40 DFGB O=C(N/N=C\c1ccccc1Br)c1ccccn1 19849597 PRVMMGONYICJRV-SXGWCWSVSA-N 304.147 2.608 50 40 DFGB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)NNC(=O)c2ccccc2)o1 16200577 UBBUCPPRTLHPDX-UXGAIALJSA-N 310.353 2.877 50 40 DFGB CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1cc(C)ccc1C 575616629 UUFQJPVFWNKIBC-AWEZNQCLSA-N 322.792 2.713 50 40 DFGB C/C(=N/NC(=O)CCn1nnc2ccccc21)c1ccc(C)cc1 552490 YNNIQCHYGBQPAC-RGEXLXHISA-N 321.384 2.670 50 40 DFGB CCCN1CCC(=NNC(=O)c2cc(Cl)ccc2OC)CC1 5468419 JFYBKLBUIRUWKI-UHFFFAOYSA-N 323.824 2.940 50 40 DFGB N#C/C(=C/c1ccco1)C(=O)Nc1ccc(N2CCOCC2)cc1 3299749 WDJOZOUCDFKWGR-OWBHPGMISA-N 323.352 2.662 50 40 DFGB N#C/C(=C\c1cn[nH]c1-c1ccc(Cl)cc1)C(=O)NC1CC1 13111569 RPFPIMXKLVGQNS-YRNVUSSQSA-N 312.760 2.916 50 40 DFGB Cc1ccoc1/C=C(/C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1 98013725 CXJPJQCXDQLPRU-UVTDQMKNSA-N 323.352 2.836 50 40 DFGB O=C(N/N=C/c1ccc(N2CCCC2)c(F)c1)c1ccccn1 409071281 QJOSOPRNDDSVFQ-UDWIEESQSA-N 312.348 2.585 50 40 DFGB COc1ccc(/C(C)=N/NC(=O)COc2ccccc2C)cc1 585031 GARRDVOKMAZGEG-XMHGGMMESA-N 312.369 2.923 50 40 DFGB COc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccco3)[nH]n2)cc1 5696248 HIAKTJGUDYHXEV-WOJGMQOQSA-N 324.340 2.832 50 40 DFGB CCOC(=O)c1cccc(NC(=O)[C@H](Br)CC)c1 12016220 MRVKXLTWXPJODE-LLVKDONJSA-N 314.179 2.975 50 40 DFGB C[C@H]1CCc2sc(C(=O)NNC(=O)[C@H]3CC=CCC3)cc2C1 15762273 COPCWKAZYVMJRF-RYUDHWBXSA-N 318.442 2.990 50 40 DFGB NC(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408881050 LYAUVVZRRZDUBZ-GIDUJCDVSA-N 308.681 2.510 50 40 DFGB COc1cccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)c1OC 408873765 VMDGZDUNEVPYPF-YTFVIJCVSA-N 316.401 2.980 50 40 DFGB COc1ccnc(NNC(=O)c2ccccc2-c2ccccc2)n1 46364323 RSJFIUMDIZMHRI-UHFFFAOYSA-N 320.352 2.909 50 40 DFGB CN(C)c1ccc(/C=N/NC(=O)c2c[nH]c3ccccc23)cc1 2806730 JUDNFTLDFQNYLD-RGVLZGJSSA-N 306.369 2.998 50 40 DFGB CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2ccccc2)cc1 59503425 RASUJCMUIGSOKV-XDHOZWIPSA-N 309.369 2.899 50 40 DFGB CCCCC[C@@]1(C(=O)OCC)C[C@H](CBr)OC1=O 4980804 MMPLXLHAFDUXKL-MFKMUULPSA-N 321.211 2.827 50 40 DFGB CCCCC(=O)Nc1ccc(N2C[C@H](C(=O)Cl)CC2=O)cc1 45953873 ALPYPECSRXEIEP-LLVKDONJSA-N 322.792 2.934 50 40 DFGB CCn1c(C(=O)NNC(=O)c2cccs2)cc2ccccc21 58406307 SGMFSQBJZCBJBL-UHFFFAOYSA-N 313.382 2.798 50 40 DFGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(C)c([N+](=O)[O-])c2)n1 408975649 BSTJJFSHNVHWKI-VGOFMYFVSA-N 310.313 2.964 50 40 DFGB C=CCN1C=CC=C/C1=C(/C#N)C(=O)Nc1ccccc1OC 257173416 MKGSTDHIBYCQQZ-JQIJEIRASA-N 307.353 2.983 50 40 DFGB COc1cccc(/C=C(\C#N)C(=O)NCCc2ccccc2)c1 7158692 YXTDPHHKEABQBC-SFQUDFHCSA-N 306.365 2.961 50 40 DFGB COC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 509698 ISMJHJPVOGVZRV-OVCLIPMQSA-N 303.274 2.853 50 40 DFGB O=C(CC[C@H]1CCCCC12OCCO2)N/N=C/c1ccccc1 500263 ZPZYDXJWSSNHNS-NISQSXRWSA-N 316.401 2.850 50 40 DFGB N#C[C@H](C(=O)N/N=C/C1=Cc2ccccc2OC1)c1ccccc1 98086807 FMIDWRMKLZBPCT-RHLNUJDMSA-N 317.348 2.872 50 40 DFGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc2c(c1)OCO2 100217804 XHFPXMRXVKQFDV-MQYKCNEVSA-N 300.358 2.692 50 40 DFGB COc1cc(/C=N\NC(=O)c2cn(C)c3ccccc23)ccc1O 103110304 BFYQBFNXLVVSLY-GRSHGNNSSA-N 323.352 2.656 50 40 DFGB O=S1[C@H]2CC[C@H](Br)[C@H]1CC[C@@H]2Br 104208048 UUKHAQKRGSLCTN-NBDGCPJMSA-N 316.058 2.587 50 40 DFGB O=C(N/N=C\c1ccc(Br)o1)c1cccc(O)c1 408993342 DJASVNDFHCGZCG-AUWJEWJLSA-N 309.119 2.512 50 40 DFGB COc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(Cl)c1O 409038130 OPFMIKGRHAOAHD-FRKPEAEDSA-N 308.721 2.720 50 40 DFGB O=C(COc1ccc(F)cc1F)N/N=C/c1ccc(F)s1 252478332 AJKDNBSCDBABGV-UBKPWBPPSA-N 314.288 2.695 50 40 DFGB O=C(CNc1ccc(Br)cc1)N/N=C/c1ccco1 252028 SKBWWQTZINRGNQ-LZYBPNLTSA-N 322.162 2.604 50 40 DFGB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N/N=C/c1ccc(O)c(O)c1)C2 5301979 CSDRVEKUFJFQPS-ONORYSHOSA-N 314.385 2.930 50 40 DFGB O=C(CCl)/N=c1\sccn1Cc1ccccc1Cl 12487851 PYEWRVJBQXWXNV-QINSGFPZSA-N 301.198 2.917 50 40 DFGB O=C(COc1cccc2ccccc12)NNC(=O)c1ccccc1 508869 LAPPRSPWNGGBQW-UHFFFAOYSA-N 320.348 2.680 50 40 DFGB COc1cc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@]23C)ccc1O 100175418 QXRPAXQHBHNUDQ-OCSBOJLYSA-N 302.374 2.677 50 40 DFGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)CC)ccc1OC 408803691 SEJKRYHZAMOGPP-ZMTLZGASSA-N 302.374 2.916 50 40 DFGB COc1ccc(C(=O)N/N=C(\C)c2cccs2)c(OC)c1 35167584 HOOLBIQWYHOKGO-MHWRWJLKSA-N 304.371 2.919 50 40 DFGB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N/N=C\c1ccc(O)cc1O)C2 36692391 JDYRNBZSLPHWPF-GATKTMFZSA-N 314.385 2.930 50 40 DFGB CCN1C(=O)/C(=C(\C#N)C(=O)Nc2ccccc2)c2ccccc21 137680592 UENPABDATQMHNT-BMRADRMJSA-N 317.348 2.969 50 40 DFGB COCCOC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)cc1 5068644 XKXBEHQSLGCNBR-DTQAZKPQSA-N 314.385 2.773 50 40 DFGB C[C@@H](Cl)C(=O)Nc1cccc(I)c1 20363150 YNVPHKCTBAAVRT-ZCFIWIBFSA-N 309.534 2.857 50 40 DFGB C[C@@H](Cl)C(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)F 103711451 ZWDAILRHRFSPSH-GSVOUGTGSA-N 321.595 2.901 50 40 DFGB CCC(CC)=NNC(=O)C(=O)Nc1cc(Cl)ccc1OC 59516309 UTBJRGUUQZKCOM-UHFFFAOYSA-N 311.769 2.579 50 40 DFGB Cc1cc(COC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)no1 6831887 BSJHHJDFJGYNIZ-NTEUORMPSA-N 311.341 2.699 50 40 DFGB Cc1cc(/C=N\NC(=O)COc2ccccc2Cl)c(C)n1C 408782350 HGHKBMCMFRMCQK-NVMNQCDNSA-N 319.792 2.824 50 40 DFGB Cc1ccc(CC(=O)N/N=C\c2ccccc2OCC#N)c(C)c1 216038982 FCDJGFPQEATQHY-BKUYFWCQSA-N 321.380 2.899 50 40 DFGB N#C/C(=C\c1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCCC1 16438144 GUSVGTHSXKLZNO-YRNVUSSQSA-N 305.721 2.778 50 40 DFGB CC(C)c1ccc(/C=N/NC(=O)c2c(Cl)cnn2C)cc1 482935 UHDOSOWVAOKUIS-CAOOACKPSA-N 304.781 2.961 50 40 DFGB COc1ccccc1OCC(=O)N/N=C/c1ccccc1Cl 580216 HFIJSEODOPRVEM-VCHYOVAHSA-N 318.760 2.878 50 40 DFGB Cc1c(C(=O)NN=Cc2c[nH]c3ccccc23)sc(N)c1C#N 408730358 QATDSAARDARDFN-UHFFFAOYSA-N 323.381 2.756 50 40 DFGB Cc1ccccc1C(=O)n1c(C)c(C(=O)NN)c2ccccc21 216949668 SKXQCSJYTKRZMF-UHFFFAOYSA-N 307.353 2.550 50 40 DFGB CC[C@H](C(=O)NN)N1c2c(OC)cccc2[C@@H](C)CC1(C)C 223203596 IRNZGOFTQSQVTB-WCQYABFASA-N 305.422 2.556 50 40 DFGB CC(C)c1ccc(/C=C/C(=O)NNC(=O)c2cccnc2)cc1 83910 RBTUDWSRTSHDLA-JXMROGBWSA-N 309.369 2.679 50 40 DFGB CCCCC(=O)N/N=C(\C)CC(=O)Nc1cccc([N+](=O)[O-])c1 4402117 ILKUNLWJHNKCGN-GZTJUZNOSA-N 320.349 2.606 50 40 DFGB COc1ccc(C(=O)NNc2ncccn2)cc1-c1ccccc1 50560224 IBBNMWAXXNOUKP-UHFFFAOYSA-N 320.352 2.909 50 40 DFGB COC(=O)c1ccccc1N/C=C(/C#N)C(=O)Nc1ccccc1 101396517 FCIMEQGPXGOJFB-SEYXRHQNSA-N 321.336 2.931 50 40 DFGB COc1ccc(C(=O)N/N=C/c2ccccc2F)cc1OC 3576458 CABFFBSPWWMCLB-VCHYOVAHSA-N 302.305 2.607 50 40 DFGB O=C(NNc1nc2cc3c(cc2s1)OCO3)c1ccccc1 4121503 JQDIAYXLYNORGC-UHFFFAOYSA-N 313.338 2.782 50 40 DFGB C/C(=N/NC(=O)C[n+]1ccccc1)c1ccc2ccccc2c1 5826589 ISWYINMWJZYGNP-HKWRFOASSA-O 304.373 2.668 50 40 DFGB N#CSc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1 13253322 KLHRTVBIEGBPJT-STQMWFEESA-N 302.355 2.865 50 40 DFGB O=C1C[C@H](Sc2ncc(C(F)(F)F)cc2Cl)C(=O)O1 100913126 JIDNCDBBERYMGD-LURJTMIESA-N 311.668 2.688 50 40 DFGB COC(=O)[C@@H](I)[C@@H](Cl)c1ccccc1 1832957 ARQOPTLFVQENIV-IUCAKERBSA-N 324.545 2.943 50 40 DFGB C/C(=N\NC(=O)c1ccc(Br)o1)c1ccc(O)cc1 17056387 YYHBQJHLQIYBFP-OVCLIPMQSA-N 323.146 2.902 50 40 DFGB Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(C)n1C 408775693 IYRFZMDJCHBQLN-GIJQJNRQSA-N 319.792 2.824 50 40 DFGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2O)[C@@H]2CCCC=C12 35185221 HRCPXAXVIQIBQS-CXAGYDPISA-N 316.364 2.986 50 40 DFGB C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccs1 5381580 JOVDXGMHHBOVLI-XNTDXEJSSA-N 303.343 2.739 50 40 DFGB CC(C)(Oc1ccc(Cl)cc1)C(=O)NNC(=O)c1ccco1 13006468 PJSZEBJESZIEGE-UHFFFAOYSA-N 322.748 2.552 50 40 DFGB CN1C(=O)[C@]23SS[C@@]1(C)C(=O)N2c1ccccc1C3(C)C 1566335 RMFWVAHDWWKNMY-LSDHHAIUSA-N 320.439 2.590 50 40 DFGB C=CCc1cc(/C=C(\C#N)C(=O)NC(C)C)cc(OC)c1O 1462462 OEPNFFDBBWGTHQ-RIYZIHGNSA-N 300.358 2.561 50 40 DFGB Cc1ccc(CNC(=O)/C(C#N)=C\c2ccc3c(c2)OCO3)cc1 6211867 AEKHOFPIGVVXCX-PXNMLYILSA-N 320.348 2.947 50 40 DFGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(Cl)c(O)c(OC)c1 408808296 FLTRZVQIKQTQGI-JTTRITNRSA-N 308.765 2.876 50 40 DFGB COc1ccc(CC(=O)N/N=C/c2cccc(C)c2)cc1OC 408777779 IROFDOHPVQFNCW-XDHOZWIPSA-N 312.369 2.705 50 40 DFGB NNC(=O)c1cn(C(=O)c2ccc(Cl)cc2)c2ccccc12 216953937 SWWJJZSSKFOPDX-UHFFFAOYSA-N 313.744 2.587 50 40 DFGB C/C(=N\NC(=O)c1sc(N)nc1C)c1ccc(Cl)cc1 4340105 OTEFPCZAWLNTHJ-REZTVBANSA-N 308.794 2.841 50 40 DFGB COC(=O)/C(C#N)=C/c1cccc(OC(=O)CCCCl)c1 1791047 WTDQQFXLBUKKEY-XYOKQWHBSA-N 307.733 2.691 50 40 DFGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccncc1 31115 PGNZFOIJGHQVEU-CIAFOILYSA-N 304.353 2.797 50 40 DFGB C/C(=N/NC(=O)c1cnccn1)c1ccc(Cl)cc1Cl 231059 SXOBWPRWSZVWGQ-LSCVHKIXSA-N 309.156 2.937 50 40 DFGB CCCOc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1 1826617 VOQWOGPKYUVUCV-MHWRWJLKSA-N 317.301 2.741 50 40 DFGB Cc1occc1C(=O)NNC(=O)CCCSc1ccccc1 3410928 WKYDXBVXPXWJDV-UHFFFAOYSA-N 318.398 2.922 50 40 DFGB COCCOC(=O)/C(C#N)=C/c1ccc(N2CCCC2)c(F)c1 409067562 FGSZGDYQTXTIHH-GXDHUFHOSA-N 318.348 2.522 50 40 DFGB FC(F)(F)C1(C(F)(F)F)[C@H]2C[C@@H]3[C@@H]([C@@H]2Br)N31 100114790 XKUBBXCEJQOOTG-LMWUXKPISA-N 310.035 2.700 50 40 DFGB COc1ccc(-c2csc(NNC(=O)C(F)(F)F)n2)cc1 1414978 NXUDBGCIEZJVRW-UHFFFAOYSA-N 317.292 2.824 50 40 DFGB COc1ccc(/C=C(\C#N)C(=O)Nc2nccs2)cc1OC 7166859 UZUAVWAWMOKXFO-YRNVUSSQSA-N 315.354 2.706 50 40 DFGB C/C(=N\NC(=O)COc1c(C)cc(C)cc1C)c1cccnc1 408948048 BSTLTLHOYWMZDN-HMMYKYKNSA-N 311.385 2.926 50 40 DFGB C[C@@H](Cl)C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 39757834 AQFXKGIVINOOPU-ZCFIWIBFSA-N 312.738 2.679 50 40 DFGB O=C(O)[C@H](SCCCl)[C@H](Cl)C(=O)c1ccccc1 5602051 XHIFMOUXWQCECY-MWLCHTKSSA-N 307.198 2.902 50 40 DFGB O=C1[C@H]2C[C@H](Cl)CN2C(=O)N1c1cccc(C(F)(F)F)c1 3125702 GKCZUFDGCLUNRE-WCBMZHEXSA-N 318.682 2.854 50 40 DFGB CCOC(=O)N[C@@H](SC1=NCCS1)C(Cl)Cl 4154699 JWMCTGGADQIDAA-LURJTMIESA-N 303.236 2.698 50 40 DFGB COc1ccc(/C(C#N)=C/c2ccccc2OCC(N)=O)cc1 408581253 HXBOJNFYIGJENJ-XNTDXEJSSA-N 308.337 2.623 50 40 DFGB C/C(=N\NC(=O)c1ccc(Br)cc1)c1ccncc1 5893698 VYOHIQFWCKVNGP-LICLKQGHSA-N 318.174 2.998 50 40 DFGB Cc1c(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cnn1C 17030622 FFEXONDVIJBKRK-YRNVUSSQSA-N 300.749 2.928 50 40 DFGB Cc1cc(C)cc(O[C@H](C)C(=O)N/N=C/c2ccccc2O)c1 93920 UFNSUMBZJMFPRG-HIPSJFSSSA-N 312.369 2.927 50 40 DFGB O=C(COc1ccc2ccccc2c1)N/N=C\c1ccccn1 13111783 SEBDJMZMXXNSIR-NDENLUEZSA-N 305.337 2.764 50 40 DFGB C/C(CC(=O)C(F)(F)F)=N\NC(=O)c1c[nH]c2ccccc12 101158140 SXSMIOFQUAMKGV-UFWORHAWSA-N 311.263 2.795 50 40 DFGB CC(C)Oc1ccc(Br)cc1/C=C(\C#N)C(N)=O 6828186 PGMGKFKEFACLBU-BJMVGYQFSA-N 309.163 2.629 50 40 DFGB Cc1cc(C)cc(OCC(=O)NN=C(CCl)CCl)c1 100244350 XZFODXUAUJWDEW-UHFFFAOYSA-N 303.189 2.632 50 40 DFGB Cc1ccc(C)n1-c1ccc(C(=O)NNC(=O)C2CCC2)cc1 9220879 CUHLOEYUVFBLRO-UHFFFAOYSA-N 311.385 2.655 50 40 DFGB CCN(CC)c1c([N+](=O)[O-])cc(C(=O)Cl)cc1[N+](=O)[O-] 26508967 RAQWZZUVROQCHX-UHFFFAOYSA-N 301.686 2.728 50 40 DFGB COc1ccc(C(=O)NNC(=O)N[C@H](C)CCCC(C)C)cc1 40071905 YIJOKZXMFIDRAS-CYBMUJFWSA-N 321.421 2.854 50 40 DFGB CC(C)[C@@H](CI)NC(=O)OC(C)(C)C 38296296 XBOPXPWVPIOUTD-MRVPVSSYSA-N 313.179 2.971 50 40 DFGB CC/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1 250889 FQPSMDGZMJUNHB-ICFOKQHNSA-N 313.313 2.845 50 40 DFGB O=C(NN=C1CCCCC1)c1ccc(CN2CCOCC2)cc1 23358583 HLHGEHHIRSWZGI-UHFFFAOYSA-N 315.417 2.569 50 40 DFGB CCOc1ccc(/C=C(/C#N)C(=O)N2CCOCC2)cc1Cl 408772452 LRXBTWUXHUKOJE-LCYFTJDESA-N 320.776 2.504 50 40 DFGB O=C(N/N=C/c1ccccc1)c1ccc(N2CCCC2=O)cc1 33071 DXUXXUHBIZJHLK-CPNJWEJPSA-N 307.353 2.577 50 40 DFGB CC(C)(C)C(=O)N1CCOc2ccc(NC=C(C#N)C#N)cc21 55010862 QKUOMFKFLQQPCZ-UHFFFAOYSA-N 310.357 2.801 50 40 DFGB O=C(Cl)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 4137152 RBMVCZXBPXRLFB-UHFFFAOYSA-N 301.795 2.630 50 40 DFGB Cc1cccc(N2C(S)=C(C#N)C(=O)N[C@@H]2c2ccco2)c1 4116939 BXYVEJCBZKVZOP-AWEZNQCLSA-N 311.366 2.888 50 40 DFGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccnc2)cc1OC 98053850 YLGIDZOCRWZSGV-MDWZMJQESA-N 309.325 2.644 50 40 DFGB CCCCOc1ccc(/C=C(/C#N)C(=O)N2CCOCC2)cc1 206283050 VDCCTEUNJHQKTN-SSZFMOIBSA-N 314.385 2.631 50 40 DFGB Cc1ccc(SCC(=O)NNC(=O)c2ccccc2)c(C)c1 3605604 GUGUYFFCOXEJHV-UHFFFAOYSA-N 314.410 2.857 50 40 DFGB CCOc1ccccc1OCC(=O)N/N=C/C=C/c1ccco1 20100753 RMXVQELDSPVYLR-FJIBGIISSA-N 314.341 2.873 50 40 DFGB Cc1nc(N)sc1C(=O)N/N=C/c1ccc(C(C)C)cc1 8618182 LMRPEHRCSHUOJI-CAOOACKPSA-N 302.403 2.921 50 40 DFGB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/NC(=O)C1CC1 2663792 NSSNYOUZZAOCMR-QGMBQPNBSA-N 320.755 2.833 50 40 DFGB COc1ccccc1/C=C(\C#N)C(=O)NCCc1ccccc1 3308088 HEZYXUXOJBGYLJ-GHRIWEEISA-N 306.365 2.961 50 40 DFGB COc1cccc(/C=N/NC(=O)/C=C/c2ccc(C)cc2)c1O 1098675 BZZLASUAWQKSRY-OFAWCBBISA-N 310.353 2.873 50 40 DFGB COc1cc(/C=N/NC(=O)c2cccc3cc[nH]c23)ccc1O 3169249 DURFPVXSPSOGQP-VXLYETTFSA-N 309.325 2.646 50 40 DFGB Cc1c(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c2ccccc2n1C 16249767 QWCFMYFYGGAJOX-IPJDOKCGSA-N 323.396 2.689 50 40 DFGB O=C(CCc1c[nH]c2ccccc12)NNC(=O)c1ccccc1 2624085 RDQIBXJBFLKSGH-UHFFFAOYSA-N 307.353 2.562 50 40 DFGB COC(=O)[C@@H]1C(O)=NC(SC)=C(C#N)[C@@H]1c1ccccc1 8996118 ZIARVQKRSMDQFD-RYUDHWBXSA-N 302.355 2.628 50 40 DFGB Cc1n[nH]c(C)c1CCC(=O)N/N=C\c1c[nH]c2ccccc12 40205468 RKPYZPWPMVTGBB-GRSHGNNSSA-N 309.373 2.591 50 40 DFGB O=C(Nc1cccc(-c2nnco2)c1)N1CCSSCC1 95450176 RVPPNUZDHUWCHF-UHFFFAOYSA-N 322.415 2.966 50 40 DFGB CC(C)(C)OC(=O)N1CCC[C@H](Cn2cc(CCl)nn2)C1 575415121 DTYXBQAPCMEXHO-NSHDSACASA-N 314.817 2.664 50 40 DFGB COc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2O)cc1 252666 MHRJHEHPEYZJAR-RQZCQDPDSA-N 304.733 2.818 50 40 DFGB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)N/N=C\c1ccc(O)cc1O)C2 100261317 JDYRNBZSLPHWPF-JJNSHZMPSA-N 314.385 2.930 50 40 DFGB O=C(N/N=C\c1cc2c(cc1Cl)OCO2)c1ccc(F)cc1 4784531 FSKJWLSBSHYMQX-WSVATBPTSA-N 320.707 2.972 50 40 DFGB O=C(CCl)Nc1cscc1S(=O)(=O)c1ccccc1 160969 YVAXWOREBZVAFW-UHFFFAOYSA-N 315.803 2.758 50 40 DFGB COc1ccc(/C=N\NC(=O)OC(C)(C)C)c(OC)c1OC 16970272 QRUPTWVRAOMUBB-SXGWCWSVSA-N 310.350 2.571 50 40 DFGB Cc1ccc(C)c(NC(=S)NNC(=O)c2cccs2)c1 1413016 YZCKWDIJJLOCKS-UHFFFAOYSA-N 305.428 2.996 50 40 DFGB C/C(=N\NC(=O)c1ccncc1)c1ccc(Br)cc1 4743972 BFDLOGIJGRMNJY-LICLKQGHSA-N 318.174 2.998 50 40 DFGB CCCCNC(=O)c1cccc(NC(=O)CBr)c1 35605251 BXYRONONHUWILA-UHFFFAOYSA-N 313.195 2.550 50 40 DFGB CCCNC(=O)[C@]12CC[C@@](C)(C(=O)[C@@H]1Br)C2(C)C 100868347 RVWKRSCPIFYAME-HERUPUMHSA-N 316.239 2.672 50 40 DFGB CCSc1nnc(NC(=O)[C@@H](Br)CC)s1 74941547 ZCYXCJXALXTPCL-YFKPBYRVSA-N 310.242 2.762 50 40 DFGB OCC[C@H](I)CC(F)(F)C(F)(F)F 91251936 SIPMDDLYRMRDMY-BYPYZUCNSA-N 318.023 2.760 50 40 DFGB O=C(O)c1ccccc1SSC(=S)N1CCOCC1 5572902 IQRJUUNHTPACIW-UHFFFAOYSA-N 315.441 2.742 50 40 DFGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])o2)c1 3317096 NWKNZTPHONDCTG-JXMROGBWSA-N 313.269 2.742 50 40 DFGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc(F)cc1 408758522 LSDDHRJSXQSLTO-SRZZPIQSSA-N 323.327 2.903 50 40 DFGB CCC[C@@H](C(=O)NN)N1c2c(OC)cccc2[C@H](C)CC1(C)C 260616245 HKFJXDWAOZRWBR-OCCSQVGLSA-N 319.449 2.946 50 40 DFGB COc1cc(/C=N/NC(=O)c2cccnc2)cc(Cl)c1OC 3335248 WEIIZQAVNCCPEC-QGMBQPNBSA-N 319.748 2.516 50 40 DFGB C[C@@H](Br)C(=O)Nc1c(F)c(F)cc(F)c1F 65335492 AMEFKRYFJCUSNZ-GSVOUGTGSA-N 300.049 2.965 50 40 DFGB C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(N(C)C)o1 408995964 CEYGRKXRMBOHMC-OOIIIRTPSA-N 317.414 2.977 50 40 DFGB O=C(C/C(=N/NC(=O)C1CC1)C(F)(F)F)c1cccs1 408957035 SDCIGZFGLXYPOD-YBEGLDIGSA-N 304.293 2.765 50 40 DFGB CCCNC(=O)[C@@]12CC[C@@](C)(C(=O)[C@H]1Br)C2(C)C 2172599 RVWKRSCPIFYAME-BIGNPOOSSA-N 316.239 2.672 50 40 DFGB C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C\c1ccccc1O 54568507 OCWOBFMMVYPPKE-TZQXVGBESA-N 318.760 2.963 50 40 DFGB CC(=O)/C(C#N)=C1\NC(=O)[C@@H](Cc2ccc(C)c(Cl)c2)S1 84460039 STOJBCRSBMZIEX-WDGDVPDHSA-N 320.801 2.747 50 40 DFGB CC1=CC(C)(C)N([C@@H](C(=O)NN)C(C)C)c2ccc(F)cc21 223213556 XAKHNURYTKNJPE-OAHLLOKOSA-N 305.397 2.842 50 40 DFGB Cc1cccc(NC(=S)NNC(=O)c2cccs2)c1C 1413014 MKCWSWYFWGFLSI-UHFFFAOYSA-N 305.428 2.996 50 40 DFGB COc1cc(/C=C(\C#N)C(=O)N2CCc3ccccc32)ccc1O 2364039 NRTIHBDNLQKSKX-XNTDXEJSSA-N 320.348 2.897 50 40 DFGB O=C(CCCl)n1c(=O)oc2cc(Br)ccc21 2322858 MKVRTULOZLYQHI-UHFFFAOYSA-N 304.527 2.626 50 40 DFGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccco1 171652 JYMBVOLRTYGIBB-JXMROGBWSA-N 313.269 2.742 50 40 DFGB CCn1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c2ccccc21 5817830 JHWSNGNMOPZMGK-INIZCTEOSA-N 319.368 2.911 50 40 DFGB CN(C)C(=O)/C(C#N)=C\c1ccc(N(C)C)c(Br)c1 59333459 RNFYFZINLWGMET-XFFZJAGNSA-N 322.206 2.510 50 40 DFGB CC1(C)CC(O)=C/C(=N/NC(=O)[C@@H]2COc3ccccc3O2)C1 100831099 JWTKZKLUBDZLRZ-GZQZNAIASA-N 316.357 2.561 50 40 DFGB COCCNC(=O)/C(C#N)=C/c1ccc(OC)c2ccccc12 105543037 ZCQSEYUEXQAXOA-SDNWHVSQSA-N 310.353 2.518 50 40 DFGB CO[C@]12c3ccccc3-c3ccccc3[C@@H]1[C@H]1C(=O)OC(=O)[C@@H]12 104210341 JVUYITYOPQCFKX-YKTARERQSA-N 306.317 2.622 50 40 DFGB O=C(CCc1ccccc1)NNC(=O)c1cc2ccccc2[nH]1 4551171 DRYCLGXTJMLBJL-UHFFFAOYSA-N 307.353 2.562 50 40 DFGB Cn1cc(C(=O)CCl)cc1C(=O)C(Cl)(Cl)Cl 7784504 XVSQHCMJCFAFSI-UHFFFAOYSA-N 302.972 3.000 50 40 DFGB O=C(Cc1c[nH]c2ccccc12)N/N=C/c1ccc2c(c1)OCO2 258249 WALWJWAAPCIREK-AWQFTUOYSA-N 321.336 2.589 50 40 DFGB C/C(=N\NC(=O)CC1(C)OCCO1)c1ccc(C(C)(C)C)cc1 14407678 PXNXEYIEBPRJCH-CPNJWEJPSA-N 318.417 2.977 50 40 DFGB N#C/C(=C/c1ccccc1O)C(=O)Nc1cccc([N+](=O)[O-])c1 16448902 VDEGTMRIPXMDKE-WQLSENKSSA-N 309.281 2.846 50 40 DFGB CN(C(=O)/C=C/c1ccccc1)N(C)C(=O)Cc1ccccc1 18193535 LYRGSQGZNCCDPE-BUHFOSPRSA-N 308.381 2.774 50 40 DFGB O=C(N/N=C/c1ccc2c(c1)CCC2)c1cccc([N+](=O)[O-])c1 1596992 FJOQKXDOENNPPP-WOJGMQOQSA-N 309.325 2.847 50 40 DFGB COC(=O)N/N=C/c1cccc(OC(=O)c2cccc(F)c2)c1 508027 OCYUYKYVKZTADW-VCHYOVAHSA-N 316.288 2.735 50 40 DFGB Cn1/c(=N/NC(=O)NC2CCCCC2)sc2ccccc21 4794459 ZIZQMFYUUFDFQC-SDXDJHTJSA-N 304.419 2.687 50 40 DFGB COc1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc1OC 105178706 SJSMAYIKPRLJRB-RBKNPADFSA-N 316.401 2.980 50 40 DFGB CCCOc1ccc(C(=O)N/N=C/c2ccc(O)cc2O)cc1 20197510 XAMLAPCYSUVCDK-WOJGMQOQSA-N 314.341 2.651 50 40 DFGB O=C1C=CC(=O)N1c1ccc(OC(F)(F)[C@@H](F)Cl)cc1 5016495 RDMTYYYBADNKHM-LLVKDONJSA-N 305.639 2.622 50 40 DFGB COc1ccc(C(=O)N/N=C\c2ccc(C)c([N+](=O)[O-])c2)cc1 34184894 OZPFWWOOBFQVKW-YVLHZVERSA-N 313.313 2.676 50 40 DFGB COC(=O)c1c([N+](=O)[O-])ccc(Cl)c1CBr 725325923 KDIHMGGBWHFYPJ-UHFFFAOYSA-N 308.515 2.930 50 40 DFGB CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(B(O)O)ccnc21 204631336 XUGUEWLFTQPPOH-UHFFFAOYSA-N 318.302 2.740 50 40 DFGB O=C(N/N=C/c1ccc(Cl)cc1)C(=O)Nc1cccc(F)c1 3151130 ZFLCFCCVWBVNNR-GIJQJNRQSA-N 319.723 2.568 50 40 DFGB Cn1cc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)c2ccccc21 33319053 VJILKMNPFQGGEW-ZDLGFXPLSA-N 322.324 2.850 50 40 DFGB CCN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@H]1NC(=O)CCl 79390989 DLVAVQGHIRABDD-NEPJUHHUSA-N 318.845 2.910 50 40 DFGB CC(=O)NC1CCC(/C=C(\C#N)C2CCC([N+](=O)[O-])CC2)CC1 16911478 XWTSVZPWHNLIIA-XNTDXEJSSA-N 319.405 2.967 50 40 DFGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc2ccccc2[nH]1 506322 KQNDKZFCHYAOJX-INIZCTEOSA-N 305.337 2.983 50 40 DFGB CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(C)=O)c1C 22161138 JVEZXKUMBMYACT-FSEGOYHTSA-N 302.374 2.943 50 40 DFGB O=C(NN=C1CCCC1)C(=O)Nc1cccc(C(F)(F)F)c1 4697549 OWVOSQSMOUTXIE-UHFFFAOYSA-N 313.279 2.690 50 40 DFGB CCCCCCCCNC(=S)NNC(=O)c1ccc(O)cc1 100980439 QBEXVBVZSHXFJO-UHFFFAOYSA-N 323.462 2.862 50 40 DFGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1c[nH]c2ccccc12 3474182 AIADAEFVYCGSJY-GIJQJNRQSA-N 308.297 2.840 50 40 DFGB O=C(CCl)O/N=C1\C(=O)N(c2ccccc2)c2ccccc21 5483730 QRYTVZDLNNPAEK-SDXDJHTJSA-N 314.728 2.851 50 40 DFGB Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccccc2)c1C 7765151 LNLSZUCUBFWXTK-AWEZNQCLSA-N 312.369 2.532 50 40 DFGB CCOC(=O)[C@H]1C=C(C#N)O[C@@H](c2ccc(NC(C)=O)cc2)C1 4267480 XTTWCFITUWNQAE-XJKSGUPXSA-N 314.341 2.693 50 40 DFGB biogenic CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccncc2)cc1 7164929 DLVCPQOCEYRTFR-RVDMUPIBSA-N 321.336 2.804 50 40 DFGB CCOc1ccccc1[C@H]1C(C#N)=C(SC)NC(=O)[C@H]1C#N 9088530 ACJTUEFXZGJJGH-SMDDNHRTSA-N 313.382 2.537 50 40 DFGB CCCCCC(=O)NNC(=O)[C@H](C)Oc1ccc(OCC)cc1 29514111 SACFYKINTCGTGX-ZDUSSCGKSA-N 322.405 2.580 50 40 DFGB COc1cc(/C=N/NC(C)=O)ccc1OCc1ccccc1F 4589073 JQZYWIJGXWGRAA-VXLYETTFSA-N 316.332 2.883 50 40 DFGB N#C/C(=C/c1c[nH]nc1-c1ccccc1)C(=O)NCc1ccco1 5729080 NYSSOJASDJJEDP-ZROIWOOFSA-N 318.336 2.893 50 40 DFGB COc1cc(C)c(/C=N/NC(=O)Cc2ccccc2)cc1OC 408548317 GERQNAXORWQXCA-XDHOZWIPSA-N 312.369 2.705 50 40 DFGB O=C1C=C(NNC(=O)CCc2ccccc2)C[C@H](c2ccco2)C1 408751404 MTCFLEGLKPXBRM-HNNXBMFYSA-N 324.380 2.864 50 40 DFGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2)ccc1O 512098 XPKNKICJCMWQMP-XDHOZWIPSA-N 312.369 2.792 50 40 DFGB Cn1cc(/C=N/NC(=O)COc2ccccc2)c2ccccc21 4045423 ZDEOTGOQVCFJAP-YBFXNURJSA-N 307.353 2.707 50 40 DFGB COc1ccc(-n2nc3c(c2NC(=O)CCl)CSC3)cc1 4223289 VBHNDRFOCUQDRA-UHFFFAOYSA-N 323.805 2.805 50 40 DFGB COC(=O)c1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1 354507 CRXKZHWYMONMBX-VCHYOVAHSA-N 316.744 2.891 50 40 DFGB Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)c1ccccn1 563995 ZAWNXASJZXOWOG-DEDYPNTBSA-N 308.385 2.754 50 40 DFGB O=C(CC[C@H](O)c1ccccc1)N/N=C/c1ccc(F)cc1 58887117 YPKNVRZMCIEPFP-QUYZQLMHSA-N 300.333 2.790 50 40 DFGB C#CCOc1ccc(OC)cc1/C=N/NC(=O)c1ccccc1C 9200640 QVFPBSOHRPROOJ-DEDYPNTBSA-N 322.364 2.780 50 40 DFGB CC(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 4545323 MTWIYTIYONIMRX-VIZOYTHASA-N 307.693 2.978 50 40 DFGB O=C(N/N=C/c1ccc(O)cc1)c1ccccc1-n1cccc1 3468634 BFOWTILEVOZMHY-CPNJWEJPSA-N 305.337 2.947 50 40 DFGB COc1ccc(OC)c(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)c1 105410362 NLJBFDQRIPHXFJ-ROGDOWOTSA-N 316.401 2.980 50 40 DFGB COc1ccc(-n2nc3ccc(NC(=O)CCl)cc3n2)cc1 13609052 YKONCCSKKBLMDS-UHFFFAOYSA-N 316.748 2.606 50 40 DFGB CC(C)(C)OC(=O)N1CCC[C@H]1CN(C(=O)CCl)C1CC1 79392579 QKFSDSHZPRKGBQ-LBPRGKRZSA-N 316.829 2.616 50 40 DFGB Cc1ccc(C(=O)[C@@H](Cl)C(=O)C(=O)Nc2ccccc2)cc1 100020058 UTMQCOBNBZXLNJ-CQSZACIVSA-N 315.756 2.993 50 40 DFGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2F)cc1C 3072725 VPKDKQAJMLQGLD-VXLYETTFSA-N 313.332 2.531 50 40 DFGB CN1C(=O)/C(=C(/C#N)C(=O)Nc2ccccc2)c2ccccc21 59145903 LFQULVVBBSJQCH-PEZBUJJGSA-N 303.321 2.579 50 40 DFGB COc1cc(C)c(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1C 409205101 LTDVOHKPUDGPDD-HTRKUNOGSA-N 314.385 2.514 50 40 DFGB O=C(N/N=C/c1cccnc1)c1cc(Cl)cc(Cl)c1O 4699155 SKXFZASMEOCQNN-REZTVBANSA-N 310.140 2.858 50 40 DFGB Cc1ccc(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1C 409176171 JJDJTUWEERKDFJ-WOJGMQOQSA-N 311.341 2.904 50 40 DFGB CC[C@@H](Br)C(=O)Nc1cnn(CCCCF)c1 96508978 AFUJVCXXKUKZQO-SNVBAGLBSA-N 306.179 2.745 50 40 DFGB CC1(C)Cc2ccccc2C(NC(=O)N2CCOCC2)=C1C#N 15841486 HWYPXTNMUZUBIO-UHFFFAOYSA-N 311.385 2.545 50 40 DFGB COc1cc(C(=O)[C@H](C)Br)cc(OC)c1OC 3633604 UBCRYYSRRCGWIJ-ZETCQYMHSA-N 303.152 2.679 50 40 DFGB CCCCC[C@H]1[C@@H](O)CC[C@H]1CC(=O)N/N=C/c1cccnc1 4713516 DHFFALMXWOZKCL-KZCIBHRYSA-N 317.433 2.889 50 40 DFGB O=C(Cc1c[nH]c2ccccc12)N/N=C\c1ccccc1[N+](=O)[O-] 8628443 AVPMSWCPXYHFBA-ODLFYWEKSA-N 322.324 2.769 50 40 DFGB CC[C@H](C)NC(=O)c1ccc(NC(=O)CBr)cc1 35605272 CZETYOLAYNTLIG-VIFPVBQESA-N 313.195 2.548 50 40 DFGB Cc1cc2c(cc1/C=N\NC(=O)Cc1ccc(F)cc1)OCO2 409239281 MLORXQPUYKRYQX-OCKHKDLRSA-N 314.316 2.556 50 40 DFGB CC(/C=N/NC(=O)c1sc(N)nc1C)=C\c1ccccc1 143263 XSVXUBGVODIRSI-CCLXQDPASA-N 300.387 2.853 50 40 DFGB C=CCc1ccccc1OCC(=O)N/N=C/c1ccccc1OC 3169127 SVPHVLQOCKNGDL-DEDYPNTBSA-N 324.380 2.953 50 40 DFGB COC(=O)[C@@H]1C(O)=NC(SC)=C(C#N)[C@H]1c1ccccc1C 1295091 MPJDCAKJXNMMEA-OLZOCXBDSA-N 316.382 2.936 50 40 DFGB Cc1cc2c(c(=O)[nH]1)[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2 1480514 CECDRZJDWHHSRQ-ZDUSSCGKSA-N 313.744 2.555 50 40 DFGB COc1cccc(/C=N/NC(=O)c2ccccn2)c1OC(C)C 7893126 UTZJPIOZQJMYKN-YBFXNURJSA-N 313.357 2.641 50 40 DFGB Cc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 3429040 HXVAGBALVGIRPB-CQSZACIVSA-N 312.369 2.532 50 40 DFGB COc1cc(C=C(C#N)C#N)cc(Br)c1OCC#N 5743734 CCPCSIPXJHIOAV-UHFFFAOYSA-N 318.130 2.791 50 40 DFGB CN(C)c1cccc(C(=O)OC(=O)c2cccc(N(C)C)c2)c1 100002997 ROXBMXDDDMXDFQ-UHFFFAOYSA-N 312.369 2.816 50 40 DFGB O=C([C@@H](Cl)c1ccccc1)N1CCN(c2ccccn2)CC1 5901519 ORGWGFOUYHOAAT-INIZCTEOSA-N 315.804 2.710 50 40 DFGB COC(=O)/C(C#N)=C/c1ccc(OC(F)F)cc1OC(F)F 6637511 HKONLQAZMXLSPR-XBXARRHUSA-N 319.210 2.969 50 40 DFGB Cc1ccccc1NC(=O)CCC(=O)N/N=C/c1ccccc1 6999096 YXNYGFDOGIHFLF-CPNJWEJPSA-N 309.369 2.864 50 40 DFGB COc1ccc(C(=O)N/N=C(\C)c2ccccc2O)cc1OC 13982906 KKHYHVASLPLXOL-WOJGMQOQSA-N 314.341 2.563 50 40 DFGB Cc1cc(C(=O)NNc2ncccn2)c(C)n1Cc1ccccc1 58169293 JLBBBPAPNGCVMP-UHFFFAOYSA-N 321.384 2.700 50 40 DFGB CCN(CC1CCN(Cc2ccccc2)CC1)C(=O)CCl 79393725 GRGNUJWDOWJKHU-UHFFFAOYSA-N 308.853 2.986 50 40 DFGB CCOc1cc(C(=O)NN)ccc1OCc1ccccc1Cl 216822874 NUIBVQHFLIBDCZ-UHFFFAOYSA-N 320.776 2.921 50 40 DFGB CCCNC(=O)[C@@]12CC[C@@](C)(C(=O)[C@@H]1Br)C2(C)C 4185859 RVWKRSCPIFYAME-QCZZGDTMSA-N 316.239 2.672 50 40 DFGB C/C(CC(=O)Nc1cc(C)ccn1)=N\NC(=O)c1ccccc1 4601702 JQSNYVPDRLRJLS-DEDYPNTBSA-N 310.357 2.525 50 40 DFGB NNC(=O)/C=C/c1cccc(OCc2ccccc2Cl)c1 226339026 MTANCATYGPPTOM-CMDGGOBGSA-N 302.761 2.922 50 40 DFGB O=C1ON=C(CCl)/C1=C/c1ccc(Br)cc1 44804570 MYOCDYHBEOIULH-UITAMQMPSA-N 300.539 2.984 50 40 DFGB CCOC(=O)/C(C#N)=C/C1=C(N2CCCC2)C[C@](C)(CC)OC1 49582828 NUTVEPLVICAVFD-MDNBWPLSSA-N 318.417 2.938 50 40 DFGB O=C(C=C(C1CC1)C1CC1)NNC(=O)Cc1c[nH]c2ccccc12 56108440 VEOZKDMNPXXWNW-UHFFFAOYSA-N 323.396 2.604 50 40 DFGB CCOc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1OCC 6949195 FUUUKMHZDFUAFT-ZROIWOOFSA-N 302.374 2.916 50 40 DFGB COc1ccc(O)c(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)c1 101728787 GVUMEHUKXXFMQQ-GDEIXCJASA-N 302.374 2.677 50 40 DFGB CCCc1n[nH]c2c1[C@@H](c1ccsc1C)C(C#N)=C(N)O2 9088921 ZGUBQUIWHJBVMV-LBPRGKRZSA-N 300.387 2.950 50 40 DFGB Cc1ccc(O)c(/C=N/NC(=O)CC2(C)SCCS2)c1 409266710 RFKMTPMYMRTENE-OQLLNIDSSA-N 310.444 2.737 50 40 DFGB COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1O 13302683 HWAIKVIKRBUGSX-UKTHLTGXSA-N 310.357 2.783 50 40 DFGB N#C/C(=C/[C@H]1CC[C@H]2OCO[C@@H]2C1)C1CCC([N+](=O)[O-])CC1 8642168 XYMAGFLDLDRDMP-AKELKRHSSA-N 306.362 2.813 50 40 DFGB Cc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 8812166 CDOLLJSMPKZMAB-RQZCQDPDSA-N 301.277 2.806 50 40 DFGB COC(=O)/C(C#N)=C/c1sc(N(C)C)nc1-c1ccccc1 96257592 ZPMSTZMKJNAMEP-FMIVXFBMSA-N 313.382 2.956 50 40 DFGB CCN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)CCl 79392521 YFUUEUMPIWRLGF-GFCCVEGCSA-N 318.845 2.863 50 40 DFGB O=C(CCBr)NC(=O)OC/C=C\c1ccccc1 4974497 ZSBXOUAABHHVRT-DAXSKMNVSA-N 312.163 2.738 50 40 DFGB N#CC1=C(N)n2c(nc3ccccc32)N[C@H]1c1ccc(F)cc1 3907198 FLHYZRYPUQXYOX-HNNXBMFYSA-N 305.316 2.993 50 40 DFGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]1c1ccccc1 4186748 CHAMAPUBXFIHQO-GECXBNKPSA-N 309.325 2.849 50 40 DFGB CCOC(=O)N/N=C1/C(=O)N(CCC(C)C)c2ccccc21 6488254 VKRSPYVFSSSSMP-SAPNQHFASA-N 303.362 2.530 50 40 DFGB O=C1[C@H](Br)CCN1Cc1ccc(F)c(Cl)c1 66347590 COFSBMZSZGJQCF-MRVPVSSYSA-N 306.562 2.975 50 40 DFGB COc1cc(C=C(C#N)C#N)ccc1OCc1ccc(C(=O)O)o1 409386635 WAVIVYCYNQVKHG-UHFFFAOYSA-N 324.292 2.996 50 40 DFGB O=C(CCl)N[C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 79392629 MUMYDKYDNWFAFS-KBPBESRZSA-N 324.808 2.579 50 40 DFGB CCO[Si](CCP(=O)(OC)OC)(OCC)OCC 200346601 QGBMQTRXKLVGNO-UHFFFAOYSA-N 300.364 2.521 50 40 DFGB COc1ccc(O)c(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@@]32C)c1 4544672 GVUMEHUKXXFMQQ-JIXJXQKQSA-N 302.374 2.677 50 40 DFGB NNC(=O)/C=C/c1ccc(OCc2ccccc2Cl)cc1 226332571 BXHSERRDWLJMSW-JXMROGBWSA-N 302.761 2.922 50 40 DFGB COc1ccccc1NC(C#N)=C1C(=O)c2ccccc2C1=O 148194 ZJALSVQLKYGTGN-UHFFFAOYSA-N 304.305 2.964 50 40 DFGB C/C(=N\NC(=O)Cc1ccc2c(c1)OCO2)c1cccs1 409091952 RVMBOMYMZHUMHE-MHWRWJLKSA-N 302.355 2.560 50 40 DFGB CC(C)COc1ccc(C(=O)NNC(=O)c2ccccc2)cc1 2653682 JBMOJSBNXKPXEQ-UHFFFAOYSA-N 312.369 2.796 50 40 DFGB C/C=C/C=N/NC(=O)C[C@H](NC(=O)OCC)c1ccccc1 107885233 FAVAEXGQUYFWIN-PGJMRELXSA-N 303.362 2.542 50 40 DFGB CCOc1ccccc1[C@H]1C(C#N)=C(N)N(C)C2=C1C(=O)CCC2 409123286 BQRGOJBDNYQBKK-KRWDZBQOSA-N 323.396 2.815 50 40 DFGB Cc1cccc(C(=O)n2c(C)c(C(=O)NN)c3ccccc32)c1 216950006 ONJZLOHEFFSSKF-UHFFFAOYSA-N 307.353 2.550 50 40 DFGB O=C(N/N=C/c1ccc(Br)s1)c1ccncc1 255756 RQEIIFCRPGBNDP-VGOFMYFVSA-N 310.176 2.670 50 40 DFGB COc1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)c(OC)c1 169682453 ABXNPFIDBFQMEO-SWQFIXAKSA-N 316.401 2.980 50 40 DFGB O=C(COc1ccccc1)NNc1nc2c(F)cccc2s1 4121351 AHJFWPADOKSKIE-UHFFFAOYSA-N 317.345 2.958 50 40 DFGB COc1cc(/C=N/NC(C)=O)ccc1OCc1ccc(F)cc1 7946684 DTPRHQQAZXIMJK-VXLYETTFSA-N 316.332 2.883 50 40 DFGB CCOC(=O)/C(C#N)=C1\CCC[C@@H]1C(SC)=C(C#N)C#N 59662364 YMFQPMHOQFLOGK-OWRWYXLESA-N 301.371 2.834 50 40 DFGB C/C(=N/NC(=O)c1ccncc1)c1cccc(NC(=O)C2CC2)c1 5381351 KKYLYXIIMFFNCA-MTJSOVHGSA-N 322.368 2.584 50 40 DFGB O=C(CCl)NC[C@@H]1CCCCN1C(=O)OCc1ccccc1 79392624 BRKKDMWXMVTTFU-AWEZNQCLSA-N 324.808 2.533 50 40 DFGB CCO[C@@H]1C[C@@H]2[C@H](Cl)[C@@H]1NC2(C(F)(F)F)C(F)(F)F 100114824 RSEPZTQGKVOSMQ-MVIOUDGNSA-N 311.653 2.854 50 40 DFGB N#CC1=C(S)N(c2ccc(F)cc2)[C@H](c2ccco2)NC1=O 352250 JCUQLBFYUSWHNG-CYBMUJFWSA-N 315.329 2.719 50 40 DFGB Cc1ccc(C(=O)NNC(=O)c2ccc3ccccc3n2)cc1 2651550 HCACJEPQWFZPFZ-UHFFFAOYSA-N 305.337 2.618 50 40 DFGB C/C(CC(C)C)=N/NC(=O)CCC(=O)N/N=C(/C)CC(C)C 17032168 KBEAKEFDQDEHRA-JTFWXBGUSA-N 310.442 2.843 50 40 DFGB C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)N(C)C)cc1OC 59334308 MZWBFVSYVICKOU-GHXNOFRVSA-N 320.776 2.909 50 40 DFGB COC(=O)/C(C#N)=C/c1c(C)nn(-c2ccccc2)c1Cl 3354078 AWWQOVDSUHAHJC-DHZHZOJOSA-N 301.733 2.914 50 40 DFGB Cc1ccc(/C=N/NC(=O)COc2ccccc2Cl)c(O)c1 359411 GHPKWSJSVANVFG-GIJQJNRQSA-N 318.760 2.883 50 40 DFGB O=C(/C=C/c1ccc2c(c1)OCO2)N(CCCl)CCCl 1698504 IATGLZQZOITXFV-DUXPYHPUSA-N 316.184 2.735 50 40 DFGB C/C(CC(=O)C(C)(C)C)=N\NC(=O)c1cccc([N+](=O)[O-])c1 101151127 AXZVKRTYULNCBV-MHWRWJLKSA-N 305.334 2.706 50 40 DFGB CCCC(=O)C1=C(c2ccccc2)C(C#N)(C#N)C(C#N)=C1N 500975 YYFGDUQNTHGTRZ-UHFFFAOYSA-N 302.337 2.593 50 40 DFGB CCCC(CCC)=NNC(=O)C(=O)N[C@H](C)c1ccccc1 59434299 WGCHFSZLSGQXAC-CYBMUJFWSA-N 303.406 2.936 50 40 DFGB COc1ccc(-c2cc(C(=O)N/N=C(/C)c3ccco3)[nH]n2)cc1 28402619 HIAKTJGUDYHXEV-WQRHYEAKSA-N 324.340 2.832 50 40 DFGB CC(C)N(Cc1ccccc1)C[C@@H]1CCN(C(=O)CCl)C1 79414991 FHSNZIJDISKMCR-MRXNPFEDSA-N 308.853 2.984 50 40 DFGB N#C/C(=C\c1c(F)cccc1Cl)C(=O)NC[C@@H]1CCCO1 289085 YJYFVEDGIBIXDE-HUYFXPKMSA-N 308.740 2.681 50 40 DFGB COc1cc(C(=O)N/N=C2\C[C@H]3CC[C@H]2C3)cc(OC)c1OC 104699979 VDAJYEQZNCDILE-CCGRPZKVSA-N 318.373 2.618 50 40 DFGB O=C(CCc1ccccc1)NNC(=O)Cc1ccc(Cl)cc1 259528 MNHVXATUYZUOBL-UHFFFAOYSA-N 316.788 2.663 50 40 DFGB O=C(NNC(=O)c1ccc(-c2ccccc2)cc1)c1ccncc1 2754679 ZILHMUIENIAHDL-UHFFFAOYSA-N 317.348 2.823 50 40 DFGB COc1ccc(OC)c(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@@]23C)c1 5175566 NLJBFDQRIPHXFJ-CYXQDFGFSA-N 316.401 2.980 50 40 DFGB O=C(NNC(=O)c1cccc2ccccc12)c1ccccc1O 11639281 APXKRFGVCAVVMJ-UHFFFAOYSA-N 306.321 2.620 50 40 DFGB COc1cc(/C=C/C(=O)NN)ccc1OCc1ccccc1C 226335174 PSAKYKVOPRJREG-CSKARUKUSA-N 312.369 2.586 50 40 DFGB Cc1ccc(C)c(CC(=O)N/N=C\c2ccc3c(c2)OCO3)c1 409366605 WYZSBOVHHMAKML-GRSHGNNSSA-N 310.353 2.725 50 40 DFGB O=C(N/N=C(/c1ccccc1)c1ccccn1)c1ccncc1 254705 RAGJNCJQVBBNAE-FXBPSFAMSA-N 302.337 2.659 50 40 DFGB Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(N)=O)c(F)c2)cc1 96035686 CFCSVSGYLJYQOA-MDWZMJQESA-N 323.327 2.779 50 40 DFGB COc1ccc2[nH]c(C(=O)N/N=C/c3ccccc3O)cc2c1 2340758 HNAFZWAJPZRCKV-VCHYOVAHSA-N 309.325 2.646 50 40 DFGB C/C(=N\NC(=O)Cc1nc(C)cs1)c1ccc(N(C)C)cc1 7906852 RPARUMSINXDGHN-LDADJPATSA-N 316.430 2.600 50 40 DFGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c1OC 33782899 PUIVJAURHZLABW-RAXLEYEMSA-N 324.336 2.955 50 40 DFGB CCOc1cc(C(=O)NN)ccc1OCc1ccccc1C 216822605 QEHZPDHXJLTRAG-UHFFFAOYSA-N 300.358 2.576 50 40 DFGB Cc1c(/C=N\NC(=O)c2ccc(O)cc2)c2ccccc2n1C 16249779 LPKXRSJHJVNQQH-ODLFYWEKSA-N 307.353 2.956 50 40 DFGB Cn1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c2ccccc21 568029 PULFNWVMNXXPFI-KRWDZBQOSA-N 319.364 2.993 50 40 DFGB O=C1Nc2ccccc2/C1=N/NC(=O)c1cccc2ccccc12 3194268 UORBYJCNCNEISQ-UHFFFAOYSA-N 315.332 2.926 50 40 DFGB CC(C)C/C=N/NC(=O)c1ccc2c(c1)NC(=O)C(C)(C)O2 4967477 XPSNHAHQLVMDDH-CAOOACKPSA-N 303.362 2.558 50 40 DFGB O=C(N/N=C/c1ccc(N2CCCCC2)s1)c1cccnc1 6673605 CNMMSEWGCMODIS-LDADJPATSA-N 314.414 2.897 50 40 DFGB Cc1nn(C)c(C)c1/C=C(\C#N)S(=O)(=O)c1ccc(F)cc1 8133471 AEGVTZQMSQZAMQ-RIYZIHGNSA-N 319.361 2.514 50 40 DFGB Cc1cc(C)nc(NNC(=O)Cc2ccc(CC(C)C)cc2)n1 32889358 WIHSUGSFQYOTHS-UHFFFAOYSA-N 312.417 2.978 50 40 DFGB CCC[C@@H](/C=N\NC(=O)C(=O)N/N=C\[C@H](CC)CCC)CC 4722415 XFQSKSVYAFLVMO-PZYVQDCKSA-N 310.442 2.843 50 40 DFGB O=C(N/N=C/c1cc(Cl)c2cccnc2c1O)c1ccco1 59459103 PMPKHXZKWLTCGQ-QGMBQPNBSA-N 315.716 2.951 50 40 DFGB Nc1ccccc1C(=O)N/N=C/c1c(O)ccc2ccccc12 38175163 NFMZNLOLRGYQJB-RGVLZGJSSA-N 305.337 2.892 50 40 DFGB CS(=O)(=O)[C@@H](Cl)[C@@H](O)c1ccc(-c2ccccc2)cc1 96518843 IDYOGPIUQRCDTA-LSDHHAIUSA-N 310.802 2.997 50 40 DFGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1 5006551 BSKDOEAKWVJNED-PKVCVXMFSA-N 312.369 2.987 50 40 DFGB