smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cccc(/C=C2\SC(=S)N(CCCC(=O)NCCc3ccccc3)C2=O)c1 8819197 KSUJGNBSRCGFHU-SILNSSARSA-N 440.590 4.036 10 40 IICB CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc([N+](=O)[O-])ccc4C)c3C)C(=O)N=C2S1 33335054 KQRPSGFSNXUDNI-KCBCAQTCSA-N 436.497 4.340 10 40 IICB COc1cccc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c1 110422883 ZGVCGRIVBZCAGJ-GIJQJNRQSA-N 428.579 4.144 10 40 IICB Cc1ccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 408532543 IIIXLEWEWGJHBA-QNGOZBTKSA-N 440.455 4.189 10 40 IICB O=C(CSc1nnc(-c2ccccc2)o1)Nc1cccc2c1C(=O)c1ccccc1C2=O 9509082 HHTUOBAVZKKCLI-UHFFFAOYSA-N 441.468 4.243 10 40 IICB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(C(C)=O)cc3)C2=O)cc1 27530533 ZIWGHSWEXBXBEP-XDHOZWIPSA-N 440.546 4.128 10 40 IICB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1ccc(Oc2ccccc2Cl)cc1 109821700 VAQFVWNALOYELZ-ATVHPVEESA-N 437.839 4.300 10 40 IICB C[C@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccc(N2CCCCC2)cc1 224383372 ICXIOWMIMAFQSF-IBGZPJMESA-N 441.597 4.098 10 40 IICB NC(=O)C[C@@H](NC(=O)Oc1ccccc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 408999722 ROULXGJNMSDGHN-SQXAAPRXSA-N 431.452 4.073 10 40 IICB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O 205707928 WHWINZKDFMKVQP-LZYBPNLTSA-N 449.868 4.286 10 40 IICB CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 218442135 FJZDXXZYBTXPGK-RTBURBONSA-N 443.613 4.200 10 40 IICB CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 408803520 PZRLMIRUUKECOZ-RIYZIHGNSA-N 435.263 4.067 10 40 IICB Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)ccc1N1CCCC1 409215001 ZDKRDWULYJBSST-HKWRFOASSA-N 427.570 4.034 10 40 IICB Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)NC2=S)c1 409252409 XSJDXURJRKQWJC-ATVHPVEESA-N 447.472 4.303 10 40 IICB CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccco3)SC2=S)cc1 1266795 OPWGAXRLWLJCDD-LGMDPLHJSA-N 444.534 4.076 10 40 IICB CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1OC 13601335 POLLVMZFQDHLQU-BOPFTXTBSA-N 448.953 4.294 10 40 IICB O=C(NN1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S)c1ccc(Cl)cc1Cl 27533893 VQORZZSDACWMBW-RIYZIHGNSA-N 449.344 4.416 10 40 IICB CN(C)c1ccc(/C=C2\S[C@@]3(C(=O)Nc4ccccc43)N(c3ccc(O)cc3)C2=O)cc1 32598061 JSOFTMXDNWGVIX-GMPUOFRTSA-N 443.528 4.384 10 40 IICB COc1ccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC=C(C)C5=C[C@H]34)C[C@@H]2C)cc1 61997005 QCFMNECCTNFCRH-JZBYRABOSA-N 436.596 4.440 10 40 IICB biogenic CCOc1cc(/C=C2\C(=O)N(c3ccc(OC)c(Cl)c3)C(C)=C2C(=O)OC)ccc1O 409018900 WQDOUHAWTFGRAZ-YBEGLDIGSA-N 443.883 4.330 10 40 IICB CCCOC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S 1809351 CCNXGOZYLLWWTJ-UYRXBGFRSA-N 427.547 4.420 10 40 IICB O=C(Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1F)c1cccc(Cl)c1 8810253 IHQYKSYOAVCCIL-UHFFFAOYSA-N 448.859 4.261 10 40 IICB O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc2oc(=O)ccc2c1 8971664 FAKUIOIIOOKXFZ-ATVHPVEESA-N 440.502 4.006 10 40 IICB CC[C@@H](C)Oc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 15013081 KLNHNFXKSZEVOS-GPLLRDDGSA-N 428.872 4.192 10 40 IICB C[C@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)c1ccc(N2CCCCC2)cc1 224391846 WMHUYJSBAFRYAH-IBGZPJMESA-N 441.597 4.098 10 40 IICB COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(C(=O)O)cc1 2301765 CCGINJVLLRWTPH-BOPFTXTBSA-N 442.265 4.025 10 40 IICB CCCCCCOc1ccc(-c2nc3s/c(=C\c4ccc(N(C)C)cc4)c(=O)n3n2)cc1 3649160 NKWWLVJFXDPHFC-XLNRJJMWSA-N 448.592 4.391 10 40 IICB O=C1/C(=C\c2ccccc2Cl)N=C(c2ccccc2)N1c1ccc(S(=O)(=O)O)cc1 8856620 FSSZIRUQBYBDCK-XSFVSMFZSA-N 438.892 4.421 10 40 IICB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C(C)C)C2=O)cc1 9075743 SHHBOIDGSQQIFS-ATVHPVEESA-N 437.546 4.405 10 40 IICB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCn1c(=S)[nH]c2ccccc2c1=O 10963049 AKLDQGWYOZPKII-UHFFFAOYSA-N 436.581 4.098 10 40 IICB Cc1ccc2nc(SCC(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)[nH]c2c1 12576435 WPXHCMSNGCHTCQ-HXUWFJFHSA-N 438.597 4.237 10 40 IICB COc1ccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)cc1 96115209 OWLQJAYCMBIRKJ-HNNXBMFYSA-N 446.411 4.026 10 40 IICB biogenic CC(=O)[C@@H](/N=N\c1cccc2c1C(=O)c1ccccc1C2=O)C(=O)Nc1ccccc1C 104096266 WSEHVOSANAVVGR-MWHYSOGASA-N 425.444 4.450 10 40 IICB C[C@@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)c1ccc(N2CCCCC2)cc1 224391792 WMHUYJSBAFRYAH-LJQANCHMSA-N 441.597 4.098 10 40 IICB C[C@H]1CCCN(c2cc(Cl)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 225956828 YTCWKBNMVIONNB-INIZCTEOSA-N 445.036 4.453 10 40 IICB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 408585793 ITDXVQOHWOXLEO-ATVHPVEESA-N 443.883 4.243 10 40 IICB Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccn4)o3)C(=O)NC2=S)cc1C 408993899 XXZSOABPPDGRBE-SFQUDFHCSA-N 435.530 4.274 10 40 IICB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(Cl)cc1 59435769 KUOHDLYNYCRHRD-UYRXBGFRSA-N 441.911 4.273 10 40 IICB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCCN3C(=O)c4ccccc4C3=O)cc2)C1 219138545 DCUDJHBQHZERPU-RTBURBONSA-N 433.552 4.177 10 40 IICB CCCN1CCN(Cc2ccccc2O)C[C@H](Cc2ccccc2-c2cccnc2)C1=O 585183657 ZWSUKDPLAYFJBY-DEOSSOPVSA-N 429.564 4.367 10 40 IICB CO[C@@]12C=C[C@@H](CC1)[C@@H]1C(=O)c3c(OC(=O)OCc4ccccc4)ccc(O)c3C(=O)[C@@H]12 982097 RHXQREPTELGYAS-LWUYUSLDSA-N 434.444 4.084 10 40 IICB CCc1cc2c(=O)c(-c3nc4ccccc4s3)c(C)oc2c(CN2CCOCC2)c1O 1107970 NXYNQRFWSVJPEL-UHFFFAOYSA-N 436.533 4.478 10 40 IICB CCOc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1 1233965 IHXKYZFXHUHUNR-AQTBWJFISA-N 430.526 4.454 10 40 IICB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)NC2=S)cc1 2378279 PXKFXSILOJRNSH-FYJGNVAPSA-N 433.508 4.373 10 40 IICB COc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)N=C2S)c1 2555164 ARQDWFRSEHPSHJ-CIAFOILYSA-N 449.507 4.484 10 40 IICB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc1OC 8819373 UEFQSOHVYASKOY-MFOYZWKCSA-N 448.953 4.197 10 40 IICB CC1=NN(c2ccccc2)C(=O)/C1=C(\Br)[C@@H]1C(=O)N(c2ccccc2)N=C1C 96168981 RMYWIKONPQRBGB-JLMFCZBYSA-N 437.297 4.097 10 40 IICB CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 169690212 XNHDMZWCNVWVKI-XPWALMASSA-N 447.922 4.457 10 40 IICB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2)c1C 223720848 JPTAZNQOGQBOSS-BJKOFHAPSA-N 448.592 4.415 10 40 IICB CCCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Br 408866716 IDLDWRLCSGDHKK-PTNGSMBKSA-N 445.338 4.069 10 40 IICB COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(OC)c1 408893234 LGFNDCIGDCGBKG-PDGQHHTCSA-N 428.282 4.335 10 40 IICB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c1C 409221076 KOLOJWGAEVMTRY-UDWIEESQSA-N 446.463 4.104 10 40 IICB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(N(CC)CC)cc2O)N3)C1 4122986 UNXTYMGJBLNXLI-LJQANCHMSA-N 444.557 4.243 10 40 IICB Oc1c([C@@H](c2ccccn2)N2CCN(c3ccccn3)CC2)cc(Cl)c2cccnc12 4450570 IDQVGMPCYJZAHV-QHCPKHFHSA-N 431.927 4.295 10 40 IICB Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)cc1 9234247 NNQYKYKVQGOAAH-JXOFPYFMSA-N 440.532 4.465 10 40 IICB COc1cccc(NC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c1OC 35597176 QRADRYTYPAWHDN-QFIPXVFZSA-N 438.572 4.045 10 40 IICB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2O)c1C 223054989 RXTFZIRPGTZPCY-PKTZIBPZSA-N 436.581 4.204 10 40 IICB COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1 225752433 APOZCDNWVAMXPB-UHFFFAOYSA-N 446.322 4.490 10 40 IICB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(F)cc3)C2=O)cc1 408801097 SSVIMYBXQHAIGA-KGENOOAVSA-N 446.434 4.080 10 40 IICB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1OCc1cccc(F)c1 408886307 JVVIHIBLZRGXMM-AQTBWJFISA-N 434.398 4.210 10 40 IICB O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccccc1C(=O)O 2307250 HFWQABYFINSMAW-LFIBNONCSA-N 446.937 4.268 10 40 IICB CCOC(=O)c1sc(N2N=C(C)/C(=C\c3ccc(N(CC)CC)cc3)C2=O)nc1C 8815824 LLFSRCYSEBKZIZ-QGOAFFKASA-N 426.542 4.281 10 40 IICB COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4Cl)co3)CC2)cc1 56949972 BUSGCCIXPMQPKQ-UHFFFAOYSA-N 440.927 4.203 10 40 IICB Cc1ccc(Cn2cc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)c3ccccc32)cc1 408692611 QOZMXSSECQGBSJ-HYARGMPZSA-N 427.504 4.402 10 40 IICB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/Nc1ccc2c3c(cccc13)C(=O)N(C)C2=O 8386703 SQDAYCNFTJDVSU-DEDYPNTBSA-N 438.487 4.401 10 40 IICB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc2c3c(cccc13)C(=O)N(C)C2=O 8856242 SSYQWVJEIXHGBH-UNOMPAQXSA-N 444.878 4.438 10 40 IICB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC1=S 8884270 BKNASTUNAFRRDY-KNGSKEOJSA-N 437.539 4.493 10 40 IICB O=C1/C(=C/c2ccc(-c3nnn[nH]3)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 40556535 FECPNMXFSNRDOH-ZSOIEALJSA-N 433.440 4.291 10 40 IICB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 59435719 HEJJVNMLIUDPSD-YBEGLDIGSA-N 428.828 4.134 10 40 IICB Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1ccccc1F 106757394 XTGFIKKSIZZHRY-MOSHPQCFSA-N 441.528 4.282 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(C)nn(-c4ccc(C)c(C)c4)c3C)C2=O)cc1 408755288 DCSJRMFMLOLWQQ-LPYMAVHISA-N 428.492 4.081 10 40 IICB O=C(O)[C@@H](Cc1ccccc1)NCc1c(O)ccc2c(=O)c(Oc3ccccc3)coc12 8743448 ZVCXOHIZHLNYNV-HXUWFJFHSA-N 431.444 4.076 10 40 IICB biogenic CCCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S 8819978 BMFLRYHWANVLDE-JXAWBTAJSA-N 437.583 4.419 10 40 IICB COc1ccc(N2CCN([C@@H](c3ccccc3)c3nnnn3C3CCCCC3)CC2)cc1 13503725 OOCBWJCGVDUXGU-DEOSSOPVSA-N 432.572 4.099 10 40 IICB Cc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)c(C)c1 21755242 GXMRPBMRRJIBMJ-RUZDIDTESA-N 449.620 4.452 10 40 IICB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(O)cc1 223310672 PXIPAMRCSLBGCL-OYDLWJJNSA-N 448.592 4.346 10 40 IICB CCOc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(SC)SC3=NC2=O)c1C 9309704 PJSTYWQYGZMXKC-AZAZKDLZSA-N 439.566 4.433 10 40 IICB CCN1C(=O)C(=Cc2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)C(=O)N(CC)C1=S 113781566 GWANAPVSSAJCFP-CYBMUJFWSA-N 434.005 4.441 10 40 IICB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cn2)c1C 223061930 IBRBCHRHVDQXPP-PKTZIBPZSA-N 435.597 4.202 10 40 IICB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCCC1 408528015 DVAFPYFQEZRGRD-AQTBWJFISA-N 430.512 4.204 10 40 IICB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CCCOC)C3=O)c2C)c1 409240962 VTXXSDRDOREBDY-XSFVSMFZSA-N 442.537 4.344 10 40 IICB COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)SC1=S 1276999 ORPCSXKGDSGQEN-VCRXTVNUSA-N 443.546 4.037 10 40 IICB COc1ccc(-c2nsc3c(N4CCN(c5ccc(OC)cc5)CC4)ncnc23)cc1 1370748 MECXHSLSQOWLKO-UHFFFAOYSA-N 433.537 4.097 10 40 IICB CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OC 1416559 NGGIZIATYFQBTJ-QIQQCEGHSA-N 442.562 4.419 10 40 IICB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3OC)C2=O)c1 8819152 XVJQNVONEJZCJX-RGEXLXHISA-N 442.562 4.324 10 40 IICB COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(OC)c1O 408893975 PGVSCYWQMPCGPV-WJDWOHSUSA-N 444.281 4.041 10 40 IICB COCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)C(C(=O)OC)=C1C 409058579 SSRJCLMRJDNHNG-NDENLUEZSA-N 442.943 4.375 10 40 IICB Cc1c(/C=C2/SC(=S)N(CC(=O)O)C2=O)c2ccccc2n1Cc1ccccc1F 9310685 CVFZRLVJHFLQET-VXLYETTFSA-N 440.521 4.423 10 40 IICB CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 223294133 ZBHLWGIPAFRODQ-NYYWCZLTSA-N 433.942 4.024 10 40 IICB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc(Cl)c1 223576968 PFNPLJPMDYPBCJ-SFTDATJTSA-N 426.973 4.107 10 40 IICB CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccccc4F)C3=O)c2C)cc1 408762762 LCTLVTWMAAXFAH-XSFVSMFZSA-N 431.467 4.462 10 40 IICB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)ccc1OCc1ccccc1 408915493 WGPDUURHZMPTGM-UDWIEESQSA-N 446.434 4.080 10 40 IICB COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2C)C1=O 409134927 QFZLOKAQYFNXDD-XSFVSMFZSA-N 449.576 4.134 10 40 IICB CC(=O)Oc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1 409147347 YSOODUYQURFPEI-LICLKQGHSA-N 446.937 4.120 10 40 IICB COc1ccc([C@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)cc1 96115210 OWLQJAYCMBIRKJ-OAHLLOKOSA-N 446.411 4.026 10 40 IICB biogenic COc1cc(N2COc3c(Cl)cc4c5c(c(=O)oc4c3C2)CCC5)cc(OC)c1OC 9429723 DIKKHHCLDKVSTC-UHFFFAOYSA-N 443.883 4.317 10 40 IICB CN1CCCc2cc([C@@H](CNC(=O)c3ccc(Br)cc3)N3CCCC3)ccc21 16838222 ITLMSURIFCNGNQ-JOCHJYFZSA-N 442.401 4.398 10 40 IICB C/C(NCCc1ccccc1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 17094846 CVWASZPPDWZGMD-NKFKGCMQSA-N 426.476 4.452 10 40 IICB COc1ccc(/C=C2/SC(=S)N(CC(=O)OCc3ccc(Cl)cc3)C2=O)cc1 33735466 KALSZGNTULLPJR-LICLKQGHSA-N 433.938 4.293 10 40 IICB CN1c2ccccc2C(=O)N(Cc2ccco2)[C@H]1c1cc(O)cc(Br)c1O 70020137 PLUAULKHCSKRLY-IBGZPJMESA-N 429.270 4.244 10 40 IICB CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 218641278 AGUIBRMUGUHOAM-MSOLQXFVSA-N 429.586 4.176 10 40 IICB COC(=O)c1cc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1Cl 225838828 RCOLXGLPTVKVJP-AWEZNQCLSA-N 433.961 4.011 10 40 IICB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OC 408816251 YCYVNUCAEHLMKX-XNTDXEJSSA-N 428.872 4.112 10 40 IICB CC(=O)[C@@H](/N=N/c1cc(C(F)(F)F)ccc1Cl)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 8385598 DZEAVLGCIUOLBY-CBEZKNFISA-N 439.781 4.208 10 40 IICB CCCCNC(=O)CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 8820044 CBQICBBZIREZBU-AQTBWJFISA-N 434.583 4.093 10 40 IICB COC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CC[C@@H](c1ccccc1)C2 8955499 FQCQJMWJRHSLFF-IKGGRYGDSA-N 439.533 4.413 10 40 IICB O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccccc1C(=O)O 16672973 WJQXZAFRSDOXCD-YKYHQJSKSA-N 438.530 4.171 10 40 IICB COc1ccc(N2CCN([C@@H](c3cccc(C)c3)c3sc4nc(C)nn4c3O)CC2)cc1 22627301 QKNNKSIJQCZOCL-NRFANRHFSA-N 449.580 4.033 10 40 IICB COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 408805588 HBHTWFAYNOZQAM-KPKJPENVSA-N 425.655 4.322 10 40 IICB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)ccc1OC 408999187 SYXRGHDMVOLOMC-PTNGSMBKSA-N 446.272 4.474 10 40 IICB CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCCCC2 2765054 XCVAABAQVYBWMI-BODMPHMZSA-N 431.554 4.435 10 40 IICB CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)S1 9057113 YQZTUCIHFJDMJJ-MFOYZWKCSA-N 449.301 4.274 10 40 IICB Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCN(c2cccc(Cl)c2)CC1 9414731 BOJZTFNAYYNUDT-UHFFFAOYSA-N 426.973 4.181 10 40 IICB COc1ccccc1OCCCn1cc(/C=C2\C(=O)N(C)C(=S)N=C2O)c2ccccc21 33457718 DTRXEALINUQOAW-JXAWBTAJSA-N 449.532 4.216 10 40 IICB CC1=CC2=NC(=O)/C(=C/c3cn(CCOc4ccc(C)cc4)c4ccccc34)C(=N)N2O1 41078266 MFWCPHPZOWCEER-MALGGUPZSA-N 426.476 4.479 10 40 IICB CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1CCCCC2 102345538 GBXXKKIGBLJUTA-USJZOSNVSA-N 431.554 4.434 10 40 IICB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1C 225839022 YTDYTJZCOVZDAN-KRWDZBQOSA-N 427.570 4.056 10 40 IICB O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/Nc1c(Cl)cc(Cl)cc1Cl 408530180 LLVIGARWVXCOKV-JLHYYAGUSA-N 438.698 4.264 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC 408808474 PTFNWOZDIKZUIW-OVCLIPMQSA-N 449.290 4.457 10 40 IICB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c(Cc2ccccc2F)c1 408884221 XEKMTPDUKWWYPM-RGEXLXHISA-N 448.425 4.231 10 40 IICB CCN(CC)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(OC)c1 12362860 XOSJOJNFPLCYCK-PDGQHHTCSA-N 443.956 4.026 10 40 IICB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OCc1ccccc1Cl 33623211 FSRHQVQCODITOQ-AQTBWJFISA-N 449.850 4.289 10 40 IICB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccccc3F)C2=O)cc1 408894063 IPBJWYWUDNCUGX-XSFVSMFZSA-N 446.434 4.080 10 40 IICB Cc1c(N2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)c(=O)n(-c2ccccc2)n1C 8828443 VHPCESCDFMVOID-UNOMPAQXSA-N 446.557 4.372 10 40 IICB O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(Cc2ccccc2)c2ccccc12 9075964 KSXJCDZCYNDKGP-ULJHMMPZSA-N 449.510 4.394 10 40 IICB CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccccc1 13896871 QQYOVEDPKONJCI-WQRHYEAKSA-N 430.913 4.424 10 40 IICB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 38172454 PXZKTAKTIUCLTG-UHFFFAOYSA-N 427.463 4.378 10 40 IICB COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1C 224892454 HVWYXIWPHLWETJ-SFHVURJKSA-N 430.570 4.057 10 40 IICB CN(C)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1 409221890 BKGFQMFVKHIKHV-RQZCQDPDSA-N 433.892 4.220 10 40 IICB CN(Cc1ccc(N2CCOCC2)cc1)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 32900931 IMKZXOPYBWKPFB-UHFFFAOYSA-N 432.446 4.224 10 40 IICB COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cc(C)ccc4C)co3)CC2)cc1 56949875 BSYJZRHLQKIMDI-UHFFFAOYSA-N 434.536 4.166 10 40 IICB COc1ccccc1OCCN/C(C)=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 112289923 HNNQTXHRJPFLIA-CLCOLTQESA-N 427.504 4.389 10 40 IICB CCOc1cccc(/C=C2\C(=O)N(c3ccc(OC)c(Cl)c3)C(C)=C2C(=O)OC)c1O 408586643 OKDZWLWYOJROOF-WJDWOHSUSA-N 443.883 4.330 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCC 408803730 STSWFSOBRNXDOB-MHWRWJLKSA-N 428.872 4.112 10 40 IICB CC(C)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O 408884910 VWWLYQNPGJXWHQ-WJDWOHSUSA-N 445.338 4.068 10 40 IICB CCCCCCN1C(=O)/C(=C2\SC(=S)N(CC(=O)OCCC)C2=O)c2ccccc21 27563046 OMSZLJKALBUMPZ-HNENSFHCSA-N 446.594 4.138 10 40 IICB O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(CN2CCc3ccccc32)cc1 30866306 AQUVBOXCQDAOMA-UHFFFAOYSA-N 427.548 4.016 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OC 408798418 DYSSUEZVMXZIMM-MDWZMJQESA-N 449.290 4.376 10 40 IICB CCOc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(OC)cc3)SC2=S)cc1 1237653 GRLNPXATFVLLDR-RGEXLXHISA-N 442.562 4.324 10 40 IICB Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@]4(CCCc5sccc54)C3=O)c2C)cc1 9368384 VGFICISMLXLODU-RUZDIDTESA-N 447.560 4.430 10 40 IICB O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc2c1C(=O)c1cccc(Cl)c1C2=O 12589175 IVQGMKRCPNABOU-UHFFFAOYSA-N 436.807 4.041 10 40 IICB Cc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1 34805920 QRZYTDNPNAAMJK-GLGSTRKCSA-N 433.468 4.494 10 40 IICB Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)ccc1N1CCCC1=O 219223122 HGHJYUSAWDJBFA-UHFFFAOYSA-N 434.517 4.154 10 40 IICB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(OC)cc2)c1C 223011137 KDDRWLDJCZLQPS-XZOQPEGZSA-N 436.581 4.117 10 40 IICB Cc1cccnc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C 223233854 KKTWTYZQAFVIAK-GOTSBHOMSA-N 448.640 4.117 10 40 IICB CCc1cc(=O)oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@H]43)c(O)ccc12 1614474387 NUUXJTHTKTWNJE-UXCLWCCASA-N 434.580 4.456 10 40 IICB biogenic O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\Nc1nc2ccc(Cl)cc2s1 13615020 YXUYUTGUGRNQOY-WQLSENKSSA-N 433.276 4.182 10 40 IICB CCOc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(SC)SC4=NC3=O)c2C)cc1 35105166 NBQNJUKYYYQTGI-JMCWYTMQSA-N 439.566 4.433 10 40 IICB COc1ccc2oc(C)c(C(=O)NCc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)c2c1 84026949 ANFWYBWWPBZUGZ-GASCZTMLSA-N 426.488 4.433 10 40 IICB Cc1ccc(-c2ccc(/C=C3/SC(N4CCOCC4)=NC3=O)o2)c(Br)c1 631600 USASLUYVBVRUGC-GZTJUZNOSA-N 433.327 4.320 10 40 IICB Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C1=O 9265363 UNJARVPFGBMJBX-JCMHNJIXSA-N 442.519 4.135 10 40 IICB COc1ccc(CCN2C(=O)/C(=C\c3ccc4nccnc4c3)SC2=S)cc1OC 13729530 WBNALYWBZQAZMO-DEDYPNTBSA-N 437.546 4.091 10 40 IICB CC(C)=CCc1c2c(c(O)c3c(=O)c(-c4ccc(O)c(O)c4)coc13)C[C@@H](C(C)(C)O)O2 15205931 NMEQUFXTRAXRGN-IBGZPJMESA-N 438.476 4.160 10 40 IICB biogenic COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)N(c3ccc(OC)cc3)C(=O)N=C2O)o1 33330850 VURTZWPXHSRRHG-UYRXBGFRSA-N 446.415 4.249 10 40 IICB CSc1cccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(Cl)cc32)c1 49003854 VSTHBXYZLIMAIX-UHFFFAOYSA-N 434.970 4.451 10 40 IICB CCN(CC)CCOC(=O)c1ccc(/N=N\[C@@H]2Sc3nc4ccccc4n3C2=O)cc1 104241686 FDOCEPSCTAMALS-KRXRYSOXSA-N 437.525 4.391 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(Cl)cc1OC 409231382 CRJKBEOSXGGDMF-OQLLNIDSSA-N 444.940 4.195 10 40 IICB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CCCOC)C3=O)c2C)cc1 409241838 YYQFRZNQXBMTIW-XSFVSMFZSA-N 442.537 4.344 10 40 IICB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(C(C)=O)cc3)C2=O)cc1 8819106 ZIWGHSWEXBXBEP-UNOMPAQXSA-N 440.546 4.128 10 40 IICB COc1cc(/C=C2\SC(Nc3ccc(Cl)c(C(=O)O)c3)=NC2=O)cc(OC)c1OC 16195168 QMWLRUKTKBGSRH-PXNMLYILSA-N 448.884 4.146 10 40 IICB CCOC(=O)C1CCN([C@H](c2ccccn2)c2cc(Cl)c3cccnc3c2O)CC1 20192769 MDUCLGVZHOAMGA-NRFANRHFSA-N 425.916 4.353 10 40 IICB COc1ccc(C(=O)N2CCN(C(=O)c3cc(C)ccc3-n3c(C)ccc3C)CC2)cc1 58014410 BXIICVSVBUXTKA-UHFFFAOYSA-N 431.536 4.009 10 40 IICB Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)nc1 223234038 BBYVONVNJHRIDB-BJKOFHAPSA-N 448.640 4.117 10 40 IICB COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 409016280 GITVWLVOYROSLB-YVLHZVERSA-N 432.354 4.491 10 40 IICB CCc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2OC)C(=O)NC1=S 409250337 QPJAFWNIUOZOSM-HMMYKYKNSA-N 449.576 4.079 10 40 IICB COc1cc(/C=C2/C(=O)NN(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1 13577236 LWSFGNYKXYVXBI-MOSHPQCFSA-N 434.879 4.389 10 40 IICB CCOC(=O)c1[nH]c2ccccc2c1/C=C1/C(=O)N(c2ccccc2F)C(=S)N=C1O 13773870 HVYBTMRKXBNOHG-SDNWHVSQSA-N 437.452 4.155 10 40 IICB COc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)ccc1OCc1ccc2c(c1)OCO2 20037482 QMTFPJQVOHBRDE-MQKNVOJVSA-N 449.488 4.170 10 40 IICB COC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1C 224892489 HVWYXIWPHLWETJ-GOSISDBHSA-N 430.570 4.057 10 40 IICB CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)c1 225839101 WAOJFQPYICWVER-KRWDZBQOSA-N 427.570 4.056 10 40 IICB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCCCC3)c(F)c2)C1=O 409235250 OLJJQMXWGOTUGH-FOWTUZBSSA-N 441.890 4.444 10 40 IICB O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2ccccn2)SC1=S 409370697 CLEGMNTZVIXVNA-JYRVWZFOSA-N 425.322 4.326 10 40 IICB O=C(NN1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S)c1ccc(Cl)cc1Cl 8870263 VQORZZSDACWMBW-ZSOIEALJSA-N 449.344 4.416 10 40 IICB CCOC(=O)c1c(NC(=O)C[C@@H](NCCC2=CCCCC2)C(=O)O)sc2c1CCCC2 10186431 JMLPUGIHRJOHED-QGZVFWFLSA-N 448.585 4.066 10 40 IICB Cc1cc(C(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)cc1 12691027 AXJWNICTCVCEGI-UHFFFAOYSA-N 427.844 4.278 10 40 IICB Cc1nnc(SCC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)c(C(N)=O)c1C 32831827 LVUOVELLXXBACV-UHFFFAOYSA-N 446.935 4.367 10 40 IICB Cc1c(Cl)cccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccccc3O)[C@H]2C1=O 100898159 OBCHLMTVSZBEEC-VSKRKVRLSA-N 434.879 4.405 10 40 IICB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(O)cc2)c1C 223055265 FQQCGNQWTDUBLE-PKTZIBPZSA-N 436.581 4.204 10 40 IICB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C 409057692 LTBQNLZIPYKOSR-HAHDFKILSA-N 436.552 4.420 10 40 IICB Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccc3[N+](=O)[O-])C2=O)cc1 8714014 QOBDHUQYWFUUMA-ATVHPVEESA-N 427.507 4.133 10 40 IICB CCc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](CCC(=O)O)C(=O)O)C3=O)o2)cc1 9884857 QLZUQKHPLKDSDM-QAEAHILHSA-N 445.518 4.028 10 40 IICB COc1ccc(N(CCC(N)=O)CC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)cc1 12549397 DTROWXLRVPHVEQ-UHFFFAOYSA-N 427.504 4.408 10 40 IICB CN(C)C(=O)CSc1ccccc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 24971910 DJCOAIDRRJPILN-UHFFFAOYSA-N 425.598 4.129 10 40 IICB Cc1ccc(OCCn2cc(/C=C3\C(=O)NN(c4ccccc4)C3=O)c3ccccc32)cc1 813027 NITBRSIPCGWGSJ-JJIBRWJFSA-N 437.499 4.490 10 40 IICB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1Cl 108055787 SNAVWQWNNRQDJK-VCHYOVAHSA-N 445.928 4.090 10 40 IICB COc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccccc3O)C2=O)cc1 1298827 SCYQZWFWWYTENA-QGOAFFKASA-N 428.535 4.021 10 40 IICB COc1ccc(/C=C2\SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)c(OC)c1OC 8821586 IMAHJILLKGUTND-BOPFTXTBSA-N 429.519 4.321 10 40 IICB COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)O 9188666 INJLIPSNLTZWDJ-FHNWIRHTSA-N 429.519 4.121 10 40 IICB COc1ccc(CNCc2cc(-c3ccc(Cl)cc3)c[nH]c2=O)cc1Cn1cccn1 12187453 TXYGMRZOWRXYNP-UHFFFAOYSA-N 434.927 4.239 10 40 IICB Cc1ccc(OCCOCCOc2cccc(/C=C3\SC(=S)N(C)C3=O)c2)cc1 26675941 AJDBFUVRFSRPAU-HKWRFOASSA-N 429.563 4.300 10 40 IICB Cc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1ccc(F)cc1 4410608 PIQBAEHJJACIQW-SVYGEZFPSA-N 435.406 4.415 10 40 IICB Oc1c([C@H](c2ccccn2)N2CCN(c3ccccn3)CC2)cc(Cl)c2cccnc12 20192799 IDQVGMPCYJZAHV-HSZRJFAPSA-N 431.927 4.295 10 40 IICB COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(OC)cc3)C(O)=NC2=S)cc1 59104591 YBAKIUFQZNEGKP-XSFVSMFZSA-N 433.489 4.166 10 40 IICB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2)c1C 223649836 JVPLAJMZSPQOGR-PKTZIBPZSA-N 434.565 4.025 10 40 IICB COc1ccc(CCn2c3c(c4ccc(OC)c(OC)c4c2=O)C(=O)c2ccccc2-3)cc1 604404384 MOQRFYHWRZULOL-UHFFFAOYSA-N 441.483 4.481 10 40 IICB biogenic COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1cccc2ccccc12 19640303 OOHXBUBNNRRTBA-HAHDFKILSA-N 444.447 4.400 10 40 IICB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cc(C(=O)OC)ccc1C(=O)OC 103919254 ICFQGCHQSVTBER-QNGOZBTKSA-N 435.480 4.149 10 40 IICB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1ccccc1 223223216 REQKMLVTPIFLJT-DNQXCXABSA-N 433.625 4.413 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1OC 408806568 FJRVRULBOKDAPB-OQLLNIDSSA-N 428.872 4.031 10 40 IICB Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)NC2=S)c1C 9323236 QNRFBPVWLXRJCH-LDADJPATSA-N 446.484 4.093 10 40 IICB CC(=O)N1N=C(c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)C[C@H]1c1ccccc1O 9489591 GQYVOZHODFWNDC-QHCPKHFHSA-N 449.532 4.199 10 40 IICB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 16321378 OPJZKIFABXRNGN-UHFFFAOYSA-N 428.897 4.330 10 40 IICB CCOc1cccc2ccc(/C=C3\SC(=S)N([C@H](CCSC)C(=O)O)C3=O)nc12 54361114 HUNRZRPKVKMEOW-VQCBNXJZSA-N 448.591 4.041 10 40 IICB CC[C@@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)N(CCc2ccccc2)C(=O)N=C1O 102717928 WOKBVVULXVMIPK-JIVYGXRASA-N 430.508 4.124 10 40 IICB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)C2=O)c1 208198134 OQCNMVRPTBMUFV-REIAIGDLSA-N 447.535 4.474 10 40 IICB COCCN1C(=O)/C(=C\c2cc(C)n(-c3cc(Cl)ccc3C)c2C)C(C(=O)OC)=C1C 409059344 MNHAVVYWGYUVHL-NDENLUEZSA-N 442.943 4.375 10 40 IICB COc1cc([C@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)ccc1O 96113864 SOWHRAGUTSEBIG-CQSZACIVSA-N 446.411 4.026 10 40 IICB biogenic O=C(O)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Br)c1)N2 103020629 ITDQRMWGFUPFSL-LZJOCLMNSA-N 441.325 4.480 10 40 IICB COc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](CCSC)C(=O)O)C3=O)o2)cc1 9884767 FYNGJVBBJCJCFI-QAEAHILHSA-N 449.575 4.363 10 40 IICB CCOc1ccc2c(c1)/C(=C1/SC(=S)N(Cc3ccc(Cl)cc3)C1=O)C(=O)N2 1798011 XWRASXKDJVPHNE-MSUUIHNZSA-N 430.938 4.462 10 40 IICB O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccccc1[N+](=O)[O-] 12276141 MIEXUTLDBYZAGH-WJDWOHSUSA-N 447.925 4.478 10 40 IICB Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(N(C)C)cc1 14009338 UARIJRRZOBTIAI-OEAKJJBVSA-N 432.499 4.392 10 40 IICB CC(=O)C1=NN(c2ccccc2)[C@H](c2ccc(N3CCOCC3)cc2)N1c1ccccc1 15219320 FJHJERLTRKJMNA-AREMUKBSSA-N 426.520 4.451 10 40 IICB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NCCc3ccc(O)cc3)C2=O)cc1 17095411 UIANXQNZZACNRP-MOHJPFBDSA-N 427.504 4.258 10 40 IICB CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)o2)cc1 113836391 UGYNMCMDWNUTRT-XSFVSMFZSA-N 444.443 4.098 10 40 IICB COc1cc(OCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1[N+](=O)[O-] 219827252 IQQNLZJCZZDAHV-KRWDZBQOSA-N 427.501 4.096 10 40 IICB Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)cc1 223266067 USQLGXSZIDDCTG-ZEQRLZLVSA-N 433.625 4.332 10 40 IICB CCN(c1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1)S(C)(=O)=O 260453289 IMVWUBYTAREEIN-RBUKOAKNSA-N 443.613 4.200 10 40 IICB Cc1c(N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)c(=O)n(-c2ccccc2)n1C 1469660 WXBYPVXDJYEHRN-YDJMSOKMSA-N 433.558 4.446 10 40 IICB COC(=O)Cn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1ccc(Cl)cc1 44085966 HCDMXLFRQFJACC-UHFFFAOYSA-N 429.929 4.416 10 40 IICB O=C(O)c1cc2ccccc2c(/N=N\c2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1O 104123508 ROLANBQXOIOZEH-IZHYLOQSSA-N 449.448 4.250 10 40 IICB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C 222810011 LEDGJEGNZVBURQ-FGZHOGPDSA-N 434.565 4.268 10 40 IICB COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O 408809410 LDKNQSBCNGIFHU-UKTHLTGXSA-N 449.688 4.086 10 40 IICB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1Cl 409008759 GBKAUAIAZODNQD-VVBXCHJUSA-N 444.940 4.357 10 40 IICB CCc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1 1217973 APGBVWZEIHDYNV-PDGQHHTCSA-N 440.546 4.177 10 40 IICB CCN1C(=O)/C(=C/c2ccc3c(c2)CCN3Cc2ccccc2Cl)C(O)=NC1=S 2335436 UXUOQJMUOQWQAA-SFQUDFHCSA-N 425.941 4.390 10 40 IICB Cc1cc(C(=O)COC(=O)/C=C/c2ccccc2[N+](=O)[O-])c(C)n1-c1ccc2c(c1)OCO2 2634401 GQCCHOQNHPSRMR-JXMROGBWSA-N 448.431 4.170 10 40 IICB COc1ccc(N2CCOCC2)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 9526231 ZJHXOANLOIWLAR-CYBMUJFWSA-N 425.312 4.245 10 40 IICB COc1ccc(-n2nnnc2S[C@@H](C)C(=O)c2cc(C)n(-c3ccccc3)c2C)cc1 13137211 HYHIXRAXEVNVSX-KRWDZBQOSA-N 433.537 4.442 10 40 IICB Cc1ccc(OCCCOc2ccccc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 13896080 LQSWQFMXKWRSCG-NKFKGCMQSA-N 428.488 4.304 10 40 IICB CCN(CC)CCOC(=O)c1ccc(/N=N/[C@@H]2Sc3nc4ccccc4n3C2=O)cc1 104241691 FDOCEPSCTAMALS-WWDJGNSZSA-N 437.525 4.391 10 40 IICB Cc1cc(N2CCCC2)c(F)cc1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2C)C1=O 108071917 GZHSBJKKVBFEDQ-LDADJPATSA-N 437.540 4.182 10 40 IICB CCN(c1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1)S(C)(=O)=O 260453284 IMVWUBYTAREEIN-OALUTQOASA-N 443.613 4.200 10 40 IICB CCN1CCN(Cc2cc(C)n(-c3ncccc3C)c2C)CCOc2ccccc2CC1=O 643589553 ZUXAYCHCMZYNPZ-UHFFFAOYSA-N 446.595 4.083 10 40 IICB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cccc(Cl)c1 1074388 KTLOLVYVJMZDEW-UYRXBGFRSA-N 441.911 4.273 10 40 IICB O=C1/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(O)=NC(=S)N1c1ccc(F)cc1 2993269 BRROCHWAWVAGNQ-LDADJPATSA-N 436.424 4.196 10 40 IICB Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccccc1C(=O)NC1CCCC1 8778087 DEVJUERSTDIULO-UHFFFAOYSA-N 434.565 4.490 10 40 IICB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C/Nc1cc(OC)c(OC)cc1C(=O)OC 102881698 UBLVHNMNKQOCOW-GHRIWEEISA-N 441.459 4.128 10 40 IICB CCOC(=O)COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OC 409203372 VUDNJYJEYJRYKQ-XDHOZWIPSA-N 443.546 4.351 10 40 IICB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)C(=O)N=C2O)cc1 8744336 JBDREQSYKRHYFV-CIAFOILYSA-N 444.447 4.182 10 40 IICB CCOc1c(Br)cc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1OC 8842967 SGJTWDMWPGLGAW-UHFFFAOYSA-N 425.275 4.000 10 40 IICB COc1cccc2ccc(/C=C3/SC(=S)N(c4ccc(C(=O)O)c(O)c4)C3=O)nc12 9575740 ZAXTWEZJSHMDAQ-RQZCQDPDSA-N 438.486 4.053 10 40 IICB COc1ccc(NC(=O)CC(=O)n2nc(C)c(/N=N\c3ccccc3C(=O)O)c2C)cc1 17211420 QNWOKZPUFYMYEW-IZHYLOQSSA-N 435.440 4.291 10 40 IICB CC(=O)N1[C@@H](C(=O)NCCc2ccc(Cl)cc2Cl)CS[C@H]1c1ccccc1O 27118087 FJSDNEAOAGLFTO-XLIONFOSSA-N 439.364 4.020 10 40 IICB O=C(c1cc(C2CC2)on1)N(Cc1ccco1)C1CCN(c2ccc3c(c2)OCO3)CC1 72342413 FUOSFKYZEJYKMX-UHFFFAOYSA-N 435.480 4.185 10 40 IICB CC(=C\c1ccccc1)/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O 408756871 XWYWUBAJTJBEQX-YAXRHUFXSA-N 425.282 4.370 10 40 IICB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 408777906 LNJUVHQFAUGZIW-FYJGNVAPSA-N 449.894 4.423 10 40 IICB COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1c(O)ccc2ccccc12 408891725 CDJWCAOEIXKXPG-KQWNVCNZSA-N 443.499 4.469 10 40 IICB CCOc1cc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)ccc1OCC(=O)O 210462223 MIJHHBHLJKMLFG-YVLHZVERSA-N 432.885 4.285 10 40 IICB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccccc1O 260918218 LJMSHESNMDDLKS-DQMJNTIXSA-N 448.592 4.346 10 40 IICB CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1 408881680 LQDJGJCYVACMFF-UYRXBGFRSA-N 427.501 4.347 10 40 IICB CC(=O)Nc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1 409141545 ACTPNDQCMCGYFS-YVLHZVERSA-N 445.953 4.153 10 40 IICB O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cccnc2)SC1=S 409369332 KYEKCNZYNLCJPQ-AWNIVKPZSA-N 425.322 4.326 10 40 IICB O=C1N=C(O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 8769108 BLYHNAATXSVOGF-LFIBNONCSA-N 437.795 4.379 10 40 IICB Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c(C)c1 12605747 OOUTUBFXRZVCRV-UHFFFAOYSA-N 434.514 4.044 10 40 IICB Cn1c(=O)n(CC(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)c2ccccc21 14348756 KLKHOXGTIVZVMQ-AREMUKBSSA-N 437.499 4.105 10 40 IICB COc1ccc(N(C)CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)cc1OC 58158472 OKUUSGYGLSJUBB-QGZVFWFLSA-N 425.510 4.172 10 40 IICB Cc1cc(C(=O)CSc2ncccc2[N+](=O)[O-])c(C)n1-c1ccc2c(c1)OCCO2 95385676 JUVKZTMMTZHBON-UHFFFAOYSA-N 425.466 4.144 10 40 IICB Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 408996333 DCHZNTCXZLLCLK-UHFFFAOYSA-N 449.894 4.076 10 40 IICB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)OC)C2=O)c2c(OCC)cccc12 409203311 VIXHYTMVDGFYFT-BOPFTXTBSA-N 431.535 4.011 10 40 IICB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3CCOc3ccc(C)cc3)C2=O)cc1 8830150 AGMFPKZQNRUFSU-QJOMJCCJSA-N 443.503 4.104 10 40 IICB COc1ccc(N2CCN(C(=O)CNc3ccccc3N(C)c3ccccc3)CC2)cc1 40122935 WZSJJLLECRNAIA-UHFFFAOYSA-N 430.552 4.224 10 40 IICB Cc1ccc2ccccc2c1COc1ccc(Cl)cc1C=C1C(=O)NC(=S)NC1=O 408885217 YJUPFBVKESIKPZ-UHFFFAOYSA-N 436.920 4.295 10 40 IICB Cc1ccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)c3ccccc32)cc1 409389419 AZHSICUPGCKGMU-HYARGMPZSA-N 436.471 4.059 10 40 IICB Cc1ccccc1NC(=O)Cc1csc2[n+]1C(=O)/C(=C\c1ccc3c(c1)OCO3)S2 5854848 BUQMCRXZWFPTQN-DJKKODMXSA-O 437.522 4.041 10 40 IICB CC(C)Oc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 9664132 YMNBHQJDGYUJTC-UHFFFAOYSA-N 443.455 4.045 10 40 IICB CCCCN1C(=O)[C@H](C(=O)OCC)[C@@H](c2ccc(N(C)C)cc2)n2c1nc1ccccc12 20638380 HBICVMPCZMERBY-FGZHOGPDSA-N 434.540 4.018 10 40 IICB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1C(=O)c1ccccc1Br 33295210 OSIGQENHRJRPPB-NTEUORMPSA-N 449.307 4.399 10 40 IICB O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(N2CCCC2)cc1 408960343 LACQAQVCQSNDMH-NTCAYCPXSA-N 430.291 4.260 10 40 IICB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OC(C)C 1416543 HVQXVNPBATVIQY-PDGQHHTCSA-N 428.535 4.029 10 40 IICB CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)cc2[C@@H](C)CC1(C)C 223533256 JGIKVJFWQSNCFR-YIRPMMGJSA-N 447.535 4.474 10 40 IICB CCN(CC)C(=O)Cn1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c2ccccc21 409131240 MPXUPUAHLHCFGM-ODLFYWEKSA-N 429.611 4.367 10 40 IICB CCOC(=O)C1=NN(c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(C)cc1 8437998 RAQPCOTUDZPFNQ-JOCHJYFZSA-N 438.483 4.336 10 40 IICB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1O 14414274 RBHRTCNRDYGJDM-BOPFTXTBSA-N 428.282 4.028 10 40 IICB Cc1ccc(-c2csc3ncn(CCC(=O)NCc4ccc(N(C)C)cc4)c(=O)c23)cc1 16234975 KDIVQUYLHVSHNE-UHFFFAOYSA-N 446.576 4.206 10 40 IICB O=C1N=C(Nc2cc(C(=O)O)cc(C(=O)O)c2)S/C1=C\c1ccc(Cl)cc1Cl 16928368 JVWFDKVMGWGKRQ-NSIKDUERSA-N 437.260 4.472 10 40 IICB Cc1nc([C@@H]2CCCCN2Cc2ccc(N3CCCCC3)cc2F)ncc1C(=O)N(C)C 19765575 DJARBEMGTRKKJA-QHCPKHFHSA-N 439.579 4.343 10 40 IICB CC(C)OC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(F)cc4)C3=O)o2)cc1 27519924 DDQDBCSRNXRAFZ-MOSHPQCFSA-N 434.423 4.112 10 40 IICB Cc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c1C 41085178 BQKZSEGMGUOQQW-PCHQCWAOSA-N 432.553 4.075 10 40 IICB CC(C)(C)c1cc(O)c(O)c(CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1 58537494 QSMGDFRLTDXJIQ-UHFFFAOYSA-N 425.525 4.261 10 40 IICB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 223838851 WTHWOTDWJCEZRU-UHFFFAOYSA-N 443.908 4.467 10 40 IICB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br 408804267 WQQNYFKHXBOTLM-RIYZIHGNSA-N 449.688 4.168 10 40 IICB O=C1C(=CNc2cccnc2Cl)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1 984651 ZCALVNCYDJIMKT-UHFFFAOYSA-N 430.936 4.487 10 40 IICB Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)ccc1NS(=O)(=O)c1ccccc1 13647319 AKJKRDJGSVERCX-UHFFFAOYSA-N 449.576 4.326 10 40 IICB CCN(CC)c1ccc([C@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)Nc3ncnn32)cc1 35507559 YIIAAECUVYNKQA-QFIPXVFZSA-N 432.528 4.061 10 40 IICB Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc(I)cc1 1092398 OYDIRZQYCWCLSD-DHDCSXOGSA-N 438.290 4.365 10 40 IICB COc1ccc(N2CCN(c3ccc(-c4ccc(Br)cc4)nn3)CC2)cc1 20720549 YESHFDRQXFDTQG-UHFFFAOYSA-N 425.330 4.241 10 40 IICB Cc1ccc(S(=O)(=O)Nc2cc(Br)c(O)c(Br)c2C)cc1 16779902 NQIPOTRBMNFVTL-UHFFFAOYSA-N 435.137 4.335 10 40 IICB C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S 62825018 OZHAEYSYUMWGOQ-QZNXTOQNSA-N 438.870 4.183 10 40 IICB O=C1/C(=C\c2cc3ccccc3nc2N2CCOCC2)SC(=S)N1Cc1ccccc1 102988171 MKWXLAKWKAIETD-RCCKNPSSSA-N 447.585 4.473 10 40 IICB COc1ccc(/C=C2/SC(N3CCN(c4ccc(C)c(Cl)c4)CC3)=NC2=O)cc1 9246650 RZSAILVNZYEOAA-DEDYPNTBSA-N 427.957 4.450 10 40 IICB Cc1cc(C(=O)CSc2nncn2Cc2ccco2)c(C)n1-c1ccc2c(c1)OCO2 32869312 FKKHBDHSRXWQGG-UHFFFAOYSA-N 436.493 4.031 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1O[C@@H](C)CC 408694914 NWFSTQYLZKRCKJ-RKPNYOAGSA-N 434.920 4.320 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OC 408814846 ZUULFNWOHNRTGO-VGOFMYFVSA-N 449.290 4.376 10 40 IICB COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 409058289 MBFOPUHIYKNKLP-GDNBJRDFSA-N 443.883 4.243 10 40 IICB CO[C@@]12C=C[C@@H](CC1)[C@H]1C(=O)c3c(OC(=O)OCc4ccccc4)ccc(O)c3C(=O)[C@@H]12 8445493 RHXQREPTELGYAS-URZXTNSESA-N 434.444 4.084 10 40 IICB Cc1ccccc1N1C(=O)[C@@H]([C@@H]2SC(=S)N(c3ccccc3C)C2=O)SC1=S 16666440 LVLXOARAYDIRQC-IYBDPMFKSA-N 444.628 4.470 10 40 IICB Cc1oc2ccc(O)c(CN3CCN(Cc4ccccc4)CC3)c2c1C(=O)NC1CCCC1 19794044 SHZVTFMFLSTVAW-UHFFFAOYSA-N 447.579 4.437 10 40 IICB Cc1ccc(C)c(N2CCN([C@@H](c3ccc(N(C)C)cc3)c3nnnn3C(C)(C)C)CC2)c1 20139415 ZGPHDOQIXONQSM-DEOSSOPVSA-N 447.631 4.023 10 40 IICB COc1ccc(N2CCN([C@H](c3ccc(C)cc3)c3sc4nc(C)nn4c3O)CC2)cc1 23156905 GSRWXJBSQSCZDM-OAQYLSRUSA-N 449.580 4.033 10 40 IICB COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 28248743 IPSBPZCNAIXMKY-UHFFFAOYSA-N 437.930 4.231 10 40 IICB Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)c2C)nc1 260909883 AKZBQRUGYJKXHY-CTUHWIOQSA-N 447.608 4.344 10 40 IICB O=c1oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@@H]43)c(O)ccc2c2c1CCC2 1614472211 PIRSVPJCSIYDMW-QGHKNZBBSA-N 446.591 4.382 10 40 IICB biogenic COc1ccc(CCC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1 9137458 KPDZAKRATYVKFN-SANMLTNESA-N 435.612 4.354 10 40 IICB O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 12428720 MZWXOLZNCYVWAH-YBEGLDIGSA-N 443.242 4.413 10 40 IICB CCc1ccc(NC(=O)C2=C3CCCN3c3cc(Br)ccc3S2(=O)=O)cc1 67244866 XKEATSDDBIKGFV-UHFFFAOYSA-N 447.354 4.249 10 40 IICB C[C@H]1CN(c2ccc(CNC(=O)/C=C/c3c(Cl)nc4sccn34)cc2F)C[C@H](C)O1 69421195 KAVYDEKLLYAIHM-BEVHLOIGSA-N 448.951 4.132 10 40 IICB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cc2)c1C 223650719 GDQJWDNVAULQBO-DNQXCXABSA-N 448.592 4.333 10 40 IICB O=C(NN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)c1ccccc1Br 1250126 XZFWNQDHYHKFMF-ZROIWOOFSA-N 437.315 4.134 10 40 IICB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc(Br)c1 8951598 FCKCPARTQAHYKN-MDWZMJQESA-N 439.381 4.351 10 40 IICB Cc1ccc(C)c(N2CCN([C@H](c3ccc(N(C)C)cc3)c3nnnn3C(C)(C)C)CC2)c1 20139412 ZGPHDOQIXONQSM-XMMPIXPASA-N 447.631 4.023 10 40 IICB Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1cc(C(=O)O)ccc1Cl 106953491 LYICYHYQIXONAM-JAIQZWGSSA-N 449.919 4.216 10 40 IICB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1Cl 223616766 ILOJPUKLDVVXIQ-FCHUYYIVSA-N 441.000 4.497 10 40 IICB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(Cl)cc1 223617069 UXGADNNKHULRFA-FGZHOGPDSA-N 441.000 4.497 10 40 IICB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4C)o3)C2=O)c1 408787353 YJZIBPBBDYMNRN-UDWIEESQSA-N 444.443 4.236 10 40 IICB CCOc1ccc(C[C@H]2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(OCC)c1 409149731 OTRODYWQZZLSTA-HXUWFJFHSA-N 431.579 4.464 10 40 IICB O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C/c1cccc([N+](=O)[O-])c1 1821186 QGSQMNWPOBCBOQ-LDADJPATSA-N 428.901 4.041 10 40 IICB O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCc1c[nH]c2ccccc12 9348568 RNNQBAXOQQOVNT-PDGQHHTCSA-N 441.603 4.180 10 40 IICB COc1ccc(/C=C2/C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)cc1OC 13757657 HRUKXBQILQUJLR-HUHIGAQKSA-N 438.534 4.214 10 40 IICB Cc1cc(Br)ccc1N1C(=O)N=C(O)/C(=C\c2ccc(N3CCCC3)o2)C1=O 59138521 WZPGFHILDGCPQX-RVDMUPIBSA-N 444.285 4.457 10 40 IICB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1OC 408804884 BZDSIVQDISECEE-OQLLNIDSSA-N 428.872 4.031 10 40 IICB Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 408962512 YSTODYHHPZCALN-CPNJWEJPSA-N 425.941 4.080 10 40 IICB CCOc1cc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc(Br)c1O 8456895 JEDRPHWYZUKTTP-VIZOYTHASA-N 445.269 4.058 10 40 IICB Cc1nnc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)s1 8819706 BEFIOQHDRQOTII-QINSGFPZSA-N 432.596 4.247 10 40 IICB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2)c1C 223686727 KPBKVEOYLSCIFT-XZOQPEGZSA-N 434.565 4.025 10 40 IICB COc1cccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)c1OCC(=O)O 409352255 XIPNJMPMJXLLCS-YVLHZVERSA-N 429.519 4.181 10 40 IICB CN(C)c1ccc([C@H](CNC(=O)COc2ccccc2F)N2CCc3ccccc32)cc1 9569178 MNDHFNAKTSVGJS-DEOSSOPVSA-N 433.527 4.191 10 40 IICB CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC1=S 13940070 BOGNQOVOBYHYNF-QPEQYQDCSA-N 425.285 4.448 10 40 IICB COc1cc(NC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc(OC)c1 35597173 AGRSDMHGTZFXJQ-XMMPIXPASA-N 438.572 4.045 10 40 IICB COc1ccc(N2CCN([C@H](CNC(=O)c3cccc(Cl)c3)c3ccco3)CC2)cc1 56946160 YZALBTXKHYOKKC-JOCHJYFZSA-N 439.943 4.235 10 40 IICB COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cccc(OC)c1O 409017577 MPIOEEMGRZTFON-YBEGLDIGSA-N 433.382 4.297 10 40 IICB CCOc1ccc(Br)cc1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O 409087172 AYFQRZOENUJWFJ-MLJKTZRHSA-N 428.373 4.228 10 40 IICB Cc1ccc(C2=NN3C(=N)/C(=C\c4ccc(Br)cc4)C(=O)N=C3S2)cc1 3853144 MLMOHJZBLQOFJI-GDXBMZNVSA-N 425.311 4.425 10 40 IICB CN(C)c1ccc([C@H](CNC(=O)c2cccs2)N2CCN(c3ccccc3)CC2)cc1 16914668 PEYONUOFXJOQTG-QHCPKHFHSA-N 434.609 4.107 10 40 IICB COc1cccc(NC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1OC 35597225 SXYRNPNPVMKYAQ-JOCHJYFZSA-N 438.572 4.045 10 40 IICB COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)cc1 260921334 PJWQKIBCFCJRNW-AGILITTLSA-N 448.592 4.341 10 40 IICB COc1cccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(C(C)C)C2=O)c1 408572226 FSSHTCNFQSGJJQ-ODLFYWEKSA-N 442.562 4.322 10 40 IICB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1Br 408693908 BBNPUYHEWDMPQE-JXCQQFQQSA-N 435.318 4.031 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1O[C@H](C)CC 408694912 NWFSTQYLZKRCKJ-BVTUPMQUSA-N 434.920 4.320 10 40 IICB CCOc1cccc(N2C(=O)/C(=C\c3c(OC)ccc4ccccc34)C(=O)NC2=S)c1 408739928 GTHSZGQHCLRUDE-ZHZULCJRSA-N 432.501 4.078 10 40 IICB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)c2C)nc1 409248789 QQPMBTFNEVYFIB-UDWIEESQSA-N 444.560 4.246 10 40 IICB COc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)o2)c([N+](=O)[O-])c1 41083261 GDKNRRSGTDEGAT-ZSCJGDHMSA-N 439.453 4.139 10 40 IICB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C1=O 409088356 LGOWWLDATPBZLM-VQGSWFTOSA-N 436.892 4.484 10 40 IICB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 16694227 MZNNTWODNNLXLW-UYRXBGFRSA-N 446.960 4.135 10 40 IICB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)c1 35625010 CATWVFDOLPIGPR-AQTBWJFISA-N 428.535 4.021 10 40 IICB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 8442811 JDGKLJDGYNKWAP-BKUYFWCQSA-N 435.505 4.017 10 40 IICB CCN1C(=O)/C(=C/c2cccc(OC)c2OCC(=O)Nc2ccc(F)cc2)SC1=S 34864372 WRJYVUWHBVFGBV-BOPFTXTBSA-N 446.525 4.073 10 40 IICB C[C@H](C(=O)N1CCCC[C@H]1c1cccnc1)N1C(=O)/C(=C\c2cccs2)SC1=S 62824999 MZIJFTQMUGABSG-UUFXGUJGSA-N 443.619 4.487 10 40 IICB Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)nc1 223234085 BBYVONVNJHRIDB-ZEQRLZLVSA-N 448.640 4.117 10 40 IICB CCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(C)cc4)cc3)C(=O)N=C2S1 13893745 DHQLOORBHTZDEL-ANDFITQPSA-N 434.521 4.482 10 40 IICB Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)cc1 223266015 USQLGXSZIDDCTG-BJKOFHAPSA-N 433.625 4.332 10 40 IICB Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCCC4)o3)C(=O)NC2=S)cc1Cl 409249856 LZLMXAUVZSCMJZ-GHRIWEEISA-N 443.956 4.453 10 40 IICB COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)o1 1841821 BSXIYDPZDVFFQL-PDGQHHTCSA-N 434.379 4.379 10 40 IICB Cc1cc(C(=O)CSc2nc(-c3ccncc3)n[nH]2)c(C)n1-c1ccc2c(c1)OCCO2 8710460 YXTRUXOKTNLPBB-UHFFFAOYSA-N 447.520 4.020 10 40 IICB CCOC(=O)c1ccc(NC(=O)CSc2ncc(-c3ccc(OC)cc3)n2C)cc1 9572317 RFKDKDQUZZGFBG-UHFFFAOYSA-N 425.510 4.003 10 40 IICB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCCOc4ccccc4)cc3)C2=O)c1 9704325 RWAZGHVBGBKHKT-QJOMJCCJSA-N 442.471 4.119 10 40 IICB COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccccc1 33702466 YKGPEVGGFCIKAM-DEDYPNTBSA-N 434.879 4.389 10 40 IICB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(OCc2cccc(C)c2)c1 408813523 UMHSDCGBCJPTPO-HYARGMPZSA-N 442.471 4.249 10 40 IICB Cc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1Cc1ccccc1 33740330 YRSFZWTVVRFCKN-DTXXBIOTSA-N 431.443 4.335 10 40 IICB COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2c(C)cc(C)cc2C)C1=O 59417342 BJAIJBACYWKQFL-MHWRWJLKSA-N 443.297 4.049 10 40 IICB CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O 408800650 QJJDOXSBARWJHD-CJLVFECKSA-N 442.471 4.331 10 40 IICB CCN1CCN(c2cccc(NC(=O)c3ccc4[nH]c5ccc(F)cc5c(=O)c4c3)c2)CC1 1616026359 SHUAZJOLEXSDQP-UHFFFAOYSA-N 444.510 4.215 10 40 IICB CC[C@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C/c2cccc(OC)c2)SC1=S 8857602 URULGDFWBHEZNU-STZPCZCHSA-N 432.611 4.468 10 40 IICB N=C1/C(=C\c2ccc(Sc3ccccc3)o2)C(=O)N=C2SC(c3cccnc3)=NN12 9191642 LLFOPMOZVLBQPE-JUVBEIPNSA-N 431.502 4.493 10 40 IICB CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1ccccc1C(=O)O 20036783 ZSHVMJLGUMRKBU-GDNBJRDFSA-N 428.286 4.483 10 40 IICB Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)c2C)c1 223620417 WFPDZROUEJVTBR-BJKOFHAPSA-N 434.609 4.461 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(Cl)c1OC 408804000 BQPKYPCRNJAHAF-OQLLNIDSSA-N 428.872 4.031 10 40 IICB COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O 409328597 YITBUZMQSMKWQN-IUXPMGMMSA-N 432.479 4.026 10 40 IICB COc1cc(/C=C2\SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc(OC)c1OC 8821592 HDFRDLUWJWIGSH-WQRHYEAKSA-N 429.519 4.321 10 40 IICB CCc1cc(C)cc(OCCOc2cccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)c2)c1 13571334 TVLJVOKCUGGUFO-XIEYBQDHSA-N 442.515 4.477 10 40 IICB O=C1C[C@H](N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)C(=O)N1c1ccc(F)cc1 20170685 FZDZVXDSEUWJEK-HVVQPJKBSA-N 446.912 4.012 10 40 IICB COc1ccc(N2CCN(C(=O)c3ccc(COc4ccc(F)cc4F)o3)CC2)cc1 27983649 LVFFYJDPSFYWPP-UHFFFAOYSA-N 428.435 4.108 10 40 IICB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2cc(Cl)ccc2O)C1=O 8819309 SEVQZYYDXFZXCH-YVLHZVERSA-N 448.953 4.284 10 40 IICB CCCCc1nnc(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)s1 8820310 AYTLIENMZOIZJK-ACCUITESSA-N 436.584 4.094 10 40 IICB CCc1cc(C)cc(OCCOc2ccccc2/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 13801489 YYOQIRFWQBSHDB-MOHJPFBDSA-N 442.515 4.477 10 40 IICB Cc1ccccc1N1C(=O)/C(=C\c2cccn2-c2cccc(C(=O)O)c2)C(O)=NC1=S 36503742 NZZMKBBUWMSSOR-AQTBWJFISA-N 431.473 4.156 10 40 IICB COc1cc(/C=C2\SC(Nc3cccc(Cl)c3)=NC2=O)ccc1O[C@H](C)C(=O)O 210936289 ICIKCMYTNJOUAO-JWHLFPLYSA-N 432.885 4.283 10 40 IICB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c1C 409241278 JYQIWIRNSNEBIT-WOJGMQOQSA-N 434.883 4.117 10 40 IICB CCN(CC)c1ccc(CN(C(=O)c2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)cc1 9281876 MNPRMNCHVZFDOR-NRFANRHFSA-N 434.989 4.016 10 40 IICB CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)NC2=O)cc1 16735048 NIUXJSXXBNENCI-VBKFSLOCSA-N 437.546 4.273 10 40 IICB Cc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1Cc1ccccc1 33571506 LENYWSHTSHUKRW-YHRCQRQKSA-N 440.532 4.216 10 40 IICB COc1cccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1OCc1ccc(Cl)cc1Cl 113831050 PCSBXUNQPAWFDW-UHFFFAOYSA-N 449.290 4.015 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccccc3F)C2=O)cc1 408786619 SWJAKKVXTIPIGG-XSFVSMFZSA-N 430.435 4.380 10 40 IICB CC[C@@H](C)N1C(=O)/C(=C/c2c(NCC(C)C)nc3ccc(C)cn3c2=O)SC1=S 2252862 DOVJPOZRRSIXKI-SLVCOGOPSA-N 430.599 4.071 10 40 IICB CCOc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(O)cc3)C(O)=NC2=S)cc1 2428002 KGWVDCBGPRTVSM-XSFVSMFZSA-N 433.489 4.253 10 40 IICB COc1ccc(N2CCN(c3ncc4c(n3)C[C@H](c3ccc(Cl)cc3)CC4=O)CC2)cc1 10156614 YTNLPYYRSGVNQO-SFHVURJKSA-N 448.954 4.378 10 40 IICB COc1ccc(N2CCN([C@H](c3ccccc3Cl)c3nnnn3C(C)(C)C)CC2)cc1 13504070 IHCZTNRDWWJXRQ-OAQYLSRUSA-N 440.979 4.002 10 40 IICB COc1ccc2c(/C=C3/SC(=S)N([C@H](Cc4ccccc4)C(=O)O)C3=O)c[nH]c2c1 13655651 BECPYPHDBTVBQG-HRYJJRBTSA-N 438.530 4.074 10 40 IICB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2ccc(Cl)s2)C1=O 408966728 NTFCPMGZHOQPEK-YRNVUSSQSA-N 425.691 4.139 10 40 IICB Cc1cc(N2CCCC2)ccc1/C=C1/SC(=S)N(NC(=O)c2cccs2)C1=O 409328383 UBWGANBZCWEKGI-SFQUDFHCSA-N 429.592 4.203 10 40 IICB Cc1nnc(NC(=O)CCCCCN2C(=O)/C(=C/c3cccs3)SC2=S)s1 1805195 XXADEZMEDYPTLS-RAXLEYEMSA-N 438.625 4.308 10 40 IICB Cc1ccc(OCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc1 5098720 HLPJIKFYRCEEFC-SANMLTNESA-N 429.564 4.360 10 40 IICB O=C1/C(=C/c2ccccc2)SC(=S)N1CCCCCC(=O)N1CCCC[C@H]1CCO 9348016 DNOHGBBVRNMVBK-BWHWTHMTSA-N 446.638 4.212 10 40 IICB CCCCN1CCc2cc(/C=C3\C(=O)NC(=S)N(CCC4=CCCCC4)C3=O)ccc21 13513230 OKXKFIJTXJFYCR-HEHNFIMWSA-N 437.609 4.366 10 40 IICB CN(C)c1ccc([C@@H](CNC(=O)C2CCCCC2)N2CCN(c3ccccc3)CC2)cc1 16914012 XBNSLFVFRZTRAM-AREMUKBSSA-N 434.628 4.312 10 40 IICB CN(C)c1ccc(CNC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3ccc(F)cc3)nn2C)cc1 20503746 ZZQCNNHAICPHEC-GPUOULLFSA-N 447.602 4.260 10 40 IICB biogenic,in-vitro CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)cn4)c3C)C(=O)NC2=S)cc1 108088057 IFUIABRETNYFPG-FYJGNVAPSA-N 444.560 4.191 10 40 IICB Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1C 408809148 KHMJGXKTRSTJPG-HYARGMPZSA-N 442.471 4.254 10 40 IICB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2O)C1=O 409041644 KIBNEZJALRSDRE-IZZDOVSWSA-N 425.655 4.327 10 40 IICB COC(=O)CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)SC1=S 409201365 MDBVYQDOLGLCIG-YVLHZVERSA-N 433.938 4.293 10 40 IICB Cc1ccc(OCCCOc2ccccc2/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1 2180347 LQSWQFMXKWRSCG-PTGBLXJZSA-N 428.488 4.304 10 40 IICB O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cccn1-c1ccc(O)cc1 8986296 GLXLATPCGNXTGM-RVDMUPIBSA-N 442.258 4.156 10 40 IICB COc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2C)c1 33743318 UQFZFTPSHYUWNU-VUEOATCUSA-N 447.442 4.284 10 40 IICB Cc1c(Cl)cccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3O)[C@H]2C1=O 100898157 OBCHLMTVSZBEEC-FSSWDIPSSA-N 434.879 4.405 10 40 IICB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Br 408800465 MODCXEYXSYDDFH-LFIBNONCSA-N 443.297 4.213 10 40 IICB O=C1C(=CNc2ccccc2[N+](=O)[O-])C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1 8431405 CERUQEBPSRVPHO-UHFFFAOYSA-N 440.500 4.347 10 40 IICB COc1ccc(N2CCN(C(=O)CCN(C)Cc3ccc4cc(OC)ccc4c3)CC2)cc1 23073886 GQBYHEOQQFCVJP-UHFFFAOYSA-N 447.579 4.028 10 40 IICB CCN1C(=O)/C(=C2\C(=O)N(c3ccc4ccccc4c3)N=C2C)c2cc([N+](=O)[O-])ccc21 35190379 JLRDDCMLZGUCMY-DQRAZIAOSA-N 426.432 4.291 10 40 IICB CCOC(=O)COc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)ccc1OC 409211034 LVUZJWJYKZIBDQ-XDHOZWIPSA-N 443.546 4.351 10 40 IICB CCOC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nnc4ccccn34)c2C)cc1 1061259 OVFIOMXUPZCXFM-UHFFFAOYSA-N 434.521 4.289 10 40 IICB CCN(CC)P(CN=[N+]=[N-])(=NS(=O)(=O)c1ccc(N(C)C)cc1)N(CC)CC 4531721 TWUKVLYPUCEIDO-UHFFFAOYSA-N 429.531 4.424 10 40 IICB CC1=NN2C(=N)/C(=C/c3cn(Cc4ccc5c(c4)OCO5)c4ccccc34)C(=O)N=C2S1 8741447 DMORCOAEZZMHMO-DMIFXGQFSA-N 443.488 4.057 10 40 IICB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccnc3)C2=O)cc1 8819875 CTQCHEDCEKSNCS-RGEXLXHISA-N 441.578 4.491 10 40 IICB C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 9955731 QGXMUCGKHCOYPU-ZDUSSCGKSA-N 445.496 4.196 10 40 IICB COc1ccc(OC)c([C@@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3O)CCCC5)=NN2)c1 12389117 QFJOZUNOFCTXGN-SFHVURJKSA-N 434.492 4.142 10 40 IICB CC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3F)SC2=S)cc1 27530587 GQPNCJBZMSJBPG-LDADJPATSA-N 428.510 4.258 10 40 IICB O=C(O)/C(=C\c1ccc(N2CCOCC2)cc1)Sc1nnc(-c2ccc(Cl)cc2)o1 408635220 YKSZXNMMXIFOCC-QGOAFFKASA-N 443.912 4.444 10 40 IICB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1Br 408807982 LVVBESCDTOEYDQ-XNTDXEJSSA-N 443.297 4.131 10 40 IICB CCOC(=O)COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OC 409199394 CUBWUKXCJQBVGB-XDHOZWIPSA-N 443.546 4.039 10 40 IICB CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2C)C1=O 409217941 RTRDMMGHNGHVBS-HKWRFOASSA-N 429.586 4.280 10 40 IICB CCCCCCN1C(=O)/C(=C2\SC(=S)N(CC(=O)OC(C)C)C2=O)c2ccccc21 1809495 UHOGSPRSMYMWER-HNENSFHCSA-N 446.594 4.137 10 40 IICB CCOC(=O)c1cc(C(=O)OCC)cc(-n2c(C)cc(C(=O)CN3CCCCC3)c2C)c1 12625441 UGAFYLXMIMMGMR-UHFFFAOYSA-N 440.540 4.116 10 40 IICB CCOc1cc(Cl)c(/C=C2/C(=O)N(c3ccc(OC)cc3)C(=S)N=C2O)cc1OC 96860814 PDINILSEEMVMFM-OQLLNIDSSA-N 446.912 4.428 10 40 IICB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1 3263795 PKTRRWIIVXWOKF-XMMPIXPASA-N 435.911 4.397 10 40 IICB CCCCN1C(=O)NC(=O)/C(=C\c2ccc3c(c2)CCN3Cc2ccccc2Cl)C1=O 9471653 XWKMFOXWIQEBNY-XMHGGMMESA-N 437.927 4.165 10 40 IICB O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1N1C(=O)[C@H]2CCCC[C@H]2C1=O 96190165 FBHINWQNCQTZNB-UEIZPBIESA-N 441.361 4.285 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(O)cc4)c3C)C2=O)cc1Cl 408981293 ADIIZZCZEYOCLP-JAIQZWGSSA-N 449.894 4.428 10 40 IICB Cc1ccc(C(=O)N2N=C(c3ccccc3NS(C)(=O)=O)C[C@H]2c2ccccc2O)cc1 9060553 PVJZBIBQTDIGMF-QFIPXVFZSA-N 449.532 4.064 10 40 IICB CCOC(=O)c1c(C)oc2c1c(CN1CCN(C(=O)OCC)CC1)c(O)c1ccccc12 19901762 ATHDXGIEWLVIJY-UHFFFAOYSA-N 440.496 4.051 10 40 IICB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)NCCc1c[nH]c2ccccc12 33539267 GJRJBCRHEGXBFX-CPNJWEJPSA-N 439.562 4.101 10 40 IICB Cc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223265507 LLUBPCOQJKKEAH-BJKOFHAPSA-N 433.625 4.332 10 40 IICB Cc1cccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)SC2=S)c1 409334196 VBUVGPXFQRTKEJ-CPNJWEJPSA-N 441.534 4.146 10 40 IICB CCOc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21 10214544 QIXGUKNPPJHIPW-LJQANCHMSA-N 427.932 4.410 10 40 IICB Cc1cccc(C(=O)N[C@H](C)C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1 13069331 WPYKIZQUKQIAHQ-QGZVFWFLSA-N 436.483 4.086 10 40 IICB COc1ccc(N/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(OC)cc2)cc1 13618248 QTVUCMDYVXADOR-JCMHNJIXSA-N 444.447 4.359 10 40 IICB Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)c2C)c1 223620324 WFPDZROUEJVTBR-DNQXCXABSA-N 434.609 4.461 10 40 IICB CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O 408812627 WZXDXQAJDKKUOH-LFIBNONCSA-N 443.297 4.131 10 40 IICB Cc1ccc(Cl)c2c1N[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)[C@H]1CC=C[C@H]21 13425357 SUCJNZHZRLXGME-SFYKDHMMSA-N 444.984 4.496 10 40 IICB CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c1C 223583820 HZFATXMHDNYRBG-ISKFKSNPSA-N 434.609 4.325 10 40 IICB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1 408782967 ZQCQCXMGJXMRIE-NTEUORMPSA-N 438.789 4.424 10 40 IICB CN1C(=O)/C(=C\c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)SC1=S 9310670 SUEUWRCYRIAAAH-VCHYOVAHSA-N 425.510 4.250 10 40 IICB O=C1OC(c2ccccc2)OC(=O)C1=Cc1ccc(OCc2cccc(C(=O)O)c2)cc1 17145798 DVGGUAWOXMXGAY-UHFFFAOYSA-N 430.412 4.146 10 40 IICB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1ccc(-c2ccc(F)c(Cl)c2)o1 408600278 BAFQFXOZKSZVQP-GDNBJRDFSA-N 426.787 4.111 10 40 IICB CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\NC(=S)N(CC)C3=O)c2C)cc1 409148360 PLQPETHPBDSWCM-ZHZULCJRSA-N 425.554 4.129 10 40 IICB CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)OC)cc3)SC2=S)cc1 409327979 OOMQPMXMQIRNMR-PDGQHHTCSA-N 429.519 4.043 10 40 IICB COc1ccc(Br)cc1/C=C1/C(=N)N2N=C(c3cccs3)SC2=NC1=O 9425645 XNVJYOUKVFSSMJ-KWJVRTRQSA-N 447.339 4.187 10 40 IICB Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2\SC(=S)NC2=O)cc1 408878721 CWUZCXRMTGMJCP-DHDCSXOGSA-N 434.336 4.466 10 40 IICB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc(F)c1 408880465 HWZNJGRZWRTMHY-DEDYPNTBSA-N 446.434 4.080 10 40 IICB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)C2=O)cc1 408983351 LOAAJMQIYNHVRP-XKZIYDEJSA-N 431.467 4.462 10 40 IICB O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(Br)o1 409107506 WJUXOYJOJDZDDM-SOFGYWHQSA-N 430.041 4.015 10 40 IICB O=C(NCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2)c1cc2ccccc2[nH]1 604404604 FQFMYUAHLAUILR-UHFFFAOYSA-N 433.467 4.124 10 40 IICB biogenic COc1ccc(/C=C2/SC(=S)N([C@H](CC(=O)O)c3ccccc3)C2=O)cc1OC 12032234 XEPSCNHVKJUICU-CLXYIWAZSA-N 429.519 4.121 10 40 IICB CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2Cc2cc(C)c(C)cc2O)CC1 72240541 GMAGUZRDLMCUCP-QDSKXPNFSA-N 427.633 4.085 10 40 IICB COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc(F)c3)c2C)C(=O)NC1=S 409172438 IBBCFJDUAWCZMM-XDHOZWIPSA-N 449.507 4.073 10 40 IICB CCOC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc1 409329677 GYEUCIRGMHQGDM-PDGQHHTCSA-N 429.519 4.043 10 40 IICB Cc1ccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)SC2=S)cc1 409348470 SVXDKVXAOGXPQU-CPNJWEJPSA-N 441.534 4.146 10 40 IICB O=C(O)c1ccc(N2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1O 8828403 NEENYEVYVLFCPE-AUWJEWJLSA-N 436.308 4.259 10 40 IICB CCCCCCOc1ccccc1/C=C1\SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O 13618871 BDABQPPRZAPDNE-OKSBFYSISA-N 439.624 4.034 10 40 IICB O=C1N=C(O)/C(=C\c2cc(Br)c(O)cc2O)C(=O)N1c1ccc(Cl)cc1 83330494 XSFIDHRRLQNVCP-VZUCSPMQSA-N 437.633 4.020 10 40 IICB CCN(CC)c1ccc(N/C=C2/C(=O)N=C(S)N(c3ccc(Cl)cc3)C2=O)cc1 103113220 OJUQZSJNNOFWFB-AQTBWJFISA-N 428.945 4.341 10 40 IICB CN(C)c1ccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 224096712 KCRWHSFRAMVXOS-UHFFFAOYSA-N 443.956 4.137 10 40 IICB CCCN1C(=O)/C(=C/c2c(N(CCC)CCC)nc3ccc(C)cn3c2=O)SC1=S 2413478 WDFOUBMKJKWYLT-LGMDPLHJSA-N 444.626 4.241 10 40 IICB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\NC(=O)N(c4ccccc4)C3=O)c2C)cc1 13941772 LNYBVVAWQFBBFT-JCMHNJIXSA-N 429.476 4.368 10 40 IICB Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 32772585 IVHHIAJCKJNEFI-UHFFFAOYSA-N 425.916 4.412 10 40 IICB Cc1cc(/C=C2/C(=N)N3N=C(c4ccncc4)SC3=NC2=O)c(C)n1-c1ccccc1 41074364 ZARCZSCSPYKQCZ-RYEIUNSYSA-N 426.505 4.157 10 40 IICB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(C)C(=O)N(c4ccccc4)C3=O)o2)c(C)c1 59138936 YTMACPZOOQKHMO-XSFVSMFZSA-N 444.443 4.050 10 40 IICB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)C(C)=CC(C)(C)N4C)C2=O)cc1 208445167 GTUJDBYRGPGMFF-KGENOOAVSA-N 445.519 4.383 10 40 IICB CSc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1NC(C)=O 224487666 BEXUKOQCTCHWAF-MRXNPFEDSA-N 447.626 4.397 10 40 IICB CC(C)c1cc(C(=O)N2CCC[C@]23CCCN(c2ccc(Cn4cncn4)cc2)CC3)no1 585100805 XFRXSLGHMOQPAV-VWLOTQADSA-N 448.571 4.103 10 40 IICB CCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 1797774 GODLRAGMYVGEGJ-KWZJRMENSA-N 432.479 4.309 10 40 IICB CCCCN1C(=O)/C(=C/c2ccc3c(c2)CCCN3Cc2ccccc2)C(=O)NC1=S 9471625 SJSYZGWBIDLWLU-LTGZKZEYSA-N 433.577 4.066 10 40 IICB O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 35684214 CNPQNAQXJDAPEO-UHFFFAOYSA-N 429.881 4.143 10 40 IICB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(O)cc2)c1C 223055201 FQQCGNQWTDUBLE-GOTSBHOMSA-N 436.581 4.204 10 40 IICB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)C(O)=NC2=S)c1 1407663 HJISYJCFRAFSOX-MDWZMJQESA-N 431.311 4.443 10 40 IICB CCN(CC)CCOC(=O)c1ccc(/N=N/[C@H]2Sc3nc4ccccc4n3C2=O)cc1 104241679 FDOCEPSCTAMALS-ZFZZVZNFSA-N 437.525 4.391 10 40 IICB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccc(OC)cc1 223076857 GOGQHYQJTFVPHM-PKTZIBPZSA-N 436.581 4.198 10 40 IICB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(Cl)cc1 223617155 UXGADNNKHULRFA-FCHUYYIVSA-N 441.000 4.497 10 40 IICB CCN(CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)c2C)cc1 408692735 UAANUVDSGWJDOY-XQNSMLJCSA-N 448.567 4.345 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)cc1C 408847055 MDFUWCPFOBBXPA-XDHOZWIPSA-N 445.431 4.446 10 40 IICB O=C(O)[C@H](Cc1ccccc1)NCc1c(O)ccc2c(=O)c(Oc3ccccc3)coc12 971249 ZVCXOHIZHLNYNV-FQEVSTJZSA-N 431.444 4.076 10 40 IICB biogenic COc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)C(=O)NC2=S)cc1 208193352 SKTLBBPCAOFKCJ-OOWUWCJESA-N 449.576 4.249 10 40 IICB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)c1 408779382 DLRYNDAHHKSPES-XDHOZWIPSA-N 445.431 4.446 10 40 IICB CC(C)Oc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Br 408880226 FIRQWNCLOQLFNP-GDNBJRDFSA-N 445.338 4.068 10 40 IICB Cc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c(C)n1-c1ccc([N+](=O)[O-])cc1 1186869 LORHGCFKNNOCKR-YBFXNURJSA-N 434.408 4.098 10 40 IICB Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1 8714015 KWWPMICWHSIGEB-ATVHPVEESA-N 427.507 4.133 10 40 IICB O=C1N=C(O)/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1 8842999 RHMGWTZRYQDTCU-UHFFFAOYSA-N 436.207 4.070 10 40 IICB Cc1c(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cccc1N(C)S(C)(=O)=O 222442619 WPKAYSRLFKEDFH-MJGOQNOKSA-N 443.613 4.118 10 40 IICB CC(C)CNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C2CCCCC2)C1=O 2253064 YOXVMOHBPFFLIB-ATVHPVEESA-N 442.610 4.296 10 40 IICB Cc1ccc(-n2nnnc2SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 3498905 NZCOPBJWPVUSCR-UHFFFAOYSA-N 447.520 4.082 10 40 IICB O=C1N=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)S/C1=C\c1ccccc1Cl 9312902 DVVXKVIIEMGOKE-AQTBWJFISA-N 428.901 4.041 10 40 IICB COC(=O)c1ccc(/C=C2/N=C(c3ccc(OC)cc3)N(c3ccc(O)cc3)C2=O)cc1 13941799 NNGIUJHZPMDTMW-PXLXIMEGSA-N 428.444 4.022 10 40 IICB Cc1ccnc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)c1 223315625 QDZQMMTZOUETNQ-WDJPJFJCSA-N 447.608 4.344 10 40 IICB Cc1cccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)c1 408536899 TWCPMJYHPBFBBM-HKWRFOASSA-N 440.455 4.189 10 40 IICB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)cc1 408912166 PTCGRPPSHKHJLX-CIAFOILYSA-N 434.398 4.210 10 40 IICB CN1C(=O)C(=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)C(=O)N(C)C1=S 408982877 JXHHKRROWCJZRO-UHFFFAOYSA-N 435.332 4.171 10 40 IICB Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)c(C)n1-c1ccccn1 9547822 ADVXGIGNQGFESM-UHFFFAOYSA-N 430.537 4.453 10 40 IICB Cc1cc(C(=O)COc2ccccc2C(N)=O)c(C)n1-c1cccc(Br)c1 12522292 WCNPWFHQZTYAKA-UHFFFAOYSA-N 427.298 4.217 10 40 IICB CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)O 210456767 HQYXXNONGDVOIC-WQRHYEAKSA-N 429.519 4.263 10 40 IICB CCOc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1 408872423 NCHDLBIPMFQTPV-CXUHLZMHSA-N 449.688 4.168 10 40 IICB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(OC)c1 409246777 BCNFGTHFSHSFOL-SFQUDFHCSA-N 441.915 4.170 10 40 IICB CCOC(=O)N1CCC(NC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)CC1 32906344 HPCNHMHYMZAZQV-UHFFFAOYSA-N 448.361 4.207 10 40 IICB CC(=O)[C@H](/N=N/c1cccc2c1C(=O)c1ccccc1C2=O)C(=O)Nc1ccccc1C 104096277 WSEHVOSANAVVGR-XJPNONJMSA-N 425.444 4.450 10 40 IICB Cn1c(=O)n(C)c2cc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)ccc21 108605033 XAIOGHCUMSOWMB-SXGWCWSVSA-N 449.479 4.302 10 40 IICB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ncccc2C)c1C 223061684 DUMFQMFCDCDSSU-YADHBBJMSA-N 435.597 4.202 10 40 IICB CCN(CC)c1ccc(N/C=C2/C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1 2303161 FYLMMATUOUZNCE-QNGOZBTKSA-N 436.581 4.400 10 40 IICB COc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)cc(Cl)c1OCc1ccc(F)cc1 33334469 DHGAOQMPNWGTLN-HXDLSSMFSA-N 444.875 4.316 10 40 IICB COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1 223327732 PJWQKIBCFCJRNW-NKKJXINNSA-N 448.592 4.341 10 40 IICB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1OCC 409100815 VFLITBFEYVMKSM-JLHYYAGUSA-N 449.290 4.457 10 40 IICB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1 409403690 AONYAFLJQOAYRV-UNOMPAQXSA-N 434.879 4.389 10 40 IICB Cn1cccc1/C=C1\SC(=S)N(NC(=O)c2ccc(OCc3ccccc3)cc2)C1=O 8870259 ZQZCNQIXXFGHPP-ZHZULCJRSA-N 449.557 4.150 10 40 IICB CC[C@H](C)Oc1cc(Br)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 34868884 DTSSUFUTMSIJND-ATTDUZETSA-N 445.313 4.096 10 40 IICB CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C(=O)NC2=S)cc1 408779480 XGSPAOGRNNHCRS-PXLXIMEGSA-N 429.545 4.488 10 40 IICB CCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2CC)C1=O 408865938 CRNXQSVFOCTVME-VBKFSLOCSA-N 443.297 4.077 10 40 IICB Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N(C)C 8963049 SNAJZQQOHZXOIA-NRFANRHFSA-N 438.959 4.328 10 40 IICB Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@]4(CCCc5sccc54)C3=O)c2C)cc1 9368382 VGFICISMLXLODU-VWLOTQADSA-N 447.560 4.430 10 40 IICB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(NC(=O)c2cccs2)cc1 9516591 MRPUGJZOKVKSQF-UHFFFAOYSA-N 435.549 4.109 10 40 IICB CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(F)cc2)NC1=S 105001231 KGRNRFRAZSQXIF-YBEGLDIGSA-N 435.318 4.245 10 40 IICB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccccc1Cl 205853435 FSIKFSVADFBRMJ-XDHOZWIPSA-N 443.956 4.406 10 40 IICB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccn1 223452118 CLDQOJUHCVSIMR-RPWUZVMVSA-N 440.576 4.452 10 40 IICB Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)NC2=S)c1C 409149000 VPYNDGHEIBFRCH-LDADJPATSA-N 447.472 4.303 10 40 IICB Cc1cccc(N2CCN([C@@H](c3ccc(N(C)C)cc3)c3nnnn3C(C)(C)C)CC2)c1C 20139411 COQSIURXWDMGHC-DEOSSOPVSA-N 447.631 4.023 10 40 IICB O=C1/C(=C\c2cccs2)SC(=S)N1CC(=O)N1CCCC[C@@H]1c1cccnc1 33539655 WHDBAOTXDSVWFQ-PCJMVEANSA-N 429.592 4.098 10 40 IICB COc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)C(=O)NC2=S)cc1 208193389 SKTLBBPCAOFKCJ-NPRIEWAGSA-N 449.576 4.249 10 40 IICB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc(F)c2)cc1 408894671 KGHLUXXVOCPZII-STZFKDTASA-N 432.476 4.236 10 40 IICB Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccn4)o3)C(=O)NC2=S)c(C)c1 408991013 MHSCKJJYDGSKSG-FOWTUZBSSA-N 435.530 4.274 10 40 IICB Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3C)C2=O)ccc1N1CCCC1 409209468 BTWDMHKSNSWNLU-PNWWAVQQSA-N 427.570 4.033 10 40 IICB CN1CCCc2cc([C@H](CNC(=O)c3cccc4ccccc34)N3CCOCC3)ccc21 13008345 CIGLIOJXTZYWOH-SANMLTNESA-N 429.564 4.026 10 40 IICB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)cc1 107827154 UUCUUEWKTUVCSF-YBFXNURJSA-N 445.491 4.486 10 40 IICB COc1cc(/C=C2\SC(Nc3cccc(Cl)c3)=NC2=O)ccc1O[C@@H](C)C(=O)O 210936256 ICIKCMYTNJOUAO-PKSBALPTSA-N 432.885 4.283 10 40 IICB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCCN3C(=O)c4ccccc4C3=O)cc2)C1 260577592 DCUDJHBQHZERPU-RBUKOAKNSA-N 433.552 4.177 10 40 IICB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 408770887 CFDWPORWZDIUPK-RIYZIHGNSA-N 435.263 4.067 10 40 IICB CCCOc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O 408894330 CBLWCIKXFHIOOI-VBKFSLOCSA-N 443.297 4.213 10 40 IICB COc1cc(/C=C2\SC(=S)N(c3cc(C(=O)O)ccc3C)C2=O)cc(OC)c1OC 8821594 AYOXCYJUGIPXFV-MFOYZWKCSA-N 445.518 4.125 10 40 IICB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3)C(C(=O)OC)=C2C)cc1 8872607 NGJOCCQONMMTEK-UYRXBGFRSA-N 425.868 4.394 10 40 IICB O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 69592527 ZUOYWVJTGOCIAH-VXKWHMMOSA-N 426.513 4.163 10 40 IICB CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)cc2[C@H](C)CC1(C)C 208314097 JGIKVJFWQSNCFR-ZFMLPXDISA-N 447.535 4.474 10 40 IICB COC(=O)COc1c(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cccc1OC 408532980 OYJAPJSATAHZBC-WOJGMQOQSA-N 443.546 4.270 10 40 IICB CC[C@H](C)n1cc(/C=C2/C(=O)N=C(O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21 1273052 MUWYVJYOMIBAQC-KPYNCUPYSA-N 431.448 4.212 10 40 IICB Cc1ccc(S(=O)(=O)Nc2ccc3c4c(cc(=O)n3C)-c3ccccc3C(=O)c24)c(C)c1 2503430 JOPACXQHSVOTTM-UHFFFAOYSA-N 444.512 4.168 10 40 IICB Cc1cc(C(=O)CSc2nnc(-c3cccnc3)o2)c(C)n1-c1ccc2c(c1)OCO2 3418475 XLSZRMIOONMNFY-UHFFFAOYSA-N 434.477 4.243 10 40 IICB Cc1ccc(OCCOCCOc2ccccc2/C=C2/SC(=S)N(C)C2=O)cc1 12285477 JOGTZLCBQVBMQX-HMMYKYKNSA-N 429.563 4.300 10 40 IICB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)ccc1O 408589240 ZJEKDVIBNGDQCH-UVTDQMKNSA-N 432.245 4.171 10 40 IICB Cc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 409127627 DTPMAIAIECGGPP-STZFKDTASA-N 425.554 4.375 10 40 IICB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1C 3302299 ZLBBHZUXYHBGRS-UHFFFAOYSA-N 440.471 4.395 10 40 IICB COc1cc(/C=C2/C(=O)NN(c3cc(Cl)cc(Cl)c3)C2=O)ccc1OCC(C)C 32099653 WBVOYXJJVLIULZ-FMQZQXMHSA-N 435.307 4.498 10 40 IICB CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O 408777965 NEVYQKOXFPFUNO-GZTJUZNOSA-N 443.297 4.131 10 40 IICB CC1=NN2C(=N)/C(=C\c3ccc(OCCOc4cc(C)cc(C)c4)cc3)C(=O)N=C2S1 9553441 PXXVFALUNLCSDZ-UYEFZWAPSA-N 434.521 4.400 10 40 IICB CC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3cc(C)ccc3O)=NN12 10214078 QTTVGZGCBPYYOX-HXUWFJFHSA-N 425.916 4.236 10 40 IICB CC(=O)n1cc(/C=C2/C(=O)NC(=S)N(c3cccc4ccccc34)C2=O)c2ccccc21 12380265 QMBYSEIGPRXIGY-MOSHPQCFSA-N 439.496 4.286 10 40 IICB Cc1cccc(N2C(=O)/C(=C\c3ccc(SCCO)c([N+](=O)[O-])c3)SC2=S)c1 32124987 VSHNPEXHLBKNPL-GZTJUZNOSA-N 432.548 4.393 10 40 IICB COCCN/C=C1/C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(C)cc1 101459216 MRTAMKYVLFQVNN-GHRIWEEISA-N 438.578 4.220 10 40 IICB Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)nc1 223316001 AKZBQRUGYJKXHY-WDJPJFJCSA-N 447.608 4.344 10 40 IICB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1cc2[nH]c(O)nc2cc1Br 408526670 BXXBFHSMUSEDKL-LCYFTJDESA-N 440.301 4.366 10 40 IICB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c(Cc2ccccc2F)c1 408865211 BXNTYUAMIBCVGR-RCCKNPSSSA-N 444.462 4.400 10 40 IICB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3cccc(C)c3)c2C)C1=O 409228147 UQZOCQFIHAOZNH-RCCKNPSSSA-N 443.503 4.468 10 40 IICB O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 10112138 GITWUNPWDRQSNV-UHFFFAOYSA-N 449.576 4.408 10 40 IICB COc1ccccc1N1CC(=O)N(c2ccc(C)cc2)[C@@H](c2ccc(N(C)C)cc2)C1=O 15412459 BDHLQMGPFJFUQI-VWLOTQADSA-N 429.520 4.191 10 40 IICB CCn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4ccccc4)cs3)c(Cl)cc21 223367415 KFAOPRLOUINDFY-UHFFFAOYSA-N 435.914 4.192 10 40 IICB Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1N(C)S(C)(=O)=O 260512319 VYWPFJXGNADCHF-HKUYNNGSSA-N 443.613 4.118 10 40 IICB O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc2nccnc2c1 13681961 ZFKTZQQPINOYPK-ATVHPVEESA-N 440.575 4.311 10 40 IICB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OC(=O)c1cccs1 41078384 RKHYRZMQYWYPGP-XPERVBFOSA-N 443.868 4.080 10 40 IICB COc1cccc([C@@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)c1 96116354 LSVHCDFGQZKXOA-INIZCTEOSA-N 430.412 4.321 10 40 IICB biogenic CC1CCN(c2cc(Cl)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)CC1 225956789 JHXVJLJWKPKISY-UHFFFAOYSA-N 445.036 4.453 10 40 IICB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1F 408893014 DRTJAVCFSXGGTH-CPNJWEJPSA-N 446.434 4.080 10 40 IICB CCCN1C(=O)/C(=C\c2cc(OC)c(OC)cc2Cl)C(=O)N(c2ccccc2)C1=S 409018350 UOJUPMPKFAEIQB-LFIBNONCSA-N 444.940 4.311 10 40 IICB CCCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)SC1=S 409345869 LYRCHFFDYCTWFQ-CPNJWEJPSA-N 442.562 4.324 10 40 IICB CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2CN(Cc3ccccc3O)C[C@H]21 514289167 FQMQTMUPTNHBPF-QPPBQGQZSA-N 436.458 4.055 10 40 IICB biogenic,in-vitro COc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)N=C2O)c1 1273154 ZAMQTVWRUPEHFR-LPYMAVHISA-N 429.476 4.282 10 40 IICB COc1cc(/C=C2\C(=N)N3N=C(C45CC6CC(CC(C6)C4)C5)SC3=NC2=O)ccc1O 8411277 MPSLUNHOTNFKEK-CLVJRVCMSA-N 436.537 4.236 10 40 IICB CCC(=O)N(c1nnc(SCC(=O)c2cc(C)n(-c3ccccn3)c2C)s1)C1CC1 9711931 MTSOWUGABJDZRQ-UHFFFAOYSA-N 441.582 4.221 10 40 IICB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2ccc(F)cc2)C1=O 14133099 CJUUHHCCZHOIOC-XSFVSMFZSA-N 430.435 4.380 10 40 IICB O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1ccccn1 16770001 YYZTUAVSOITDLA-SDNWHVSQSA-N 448.367 4.074 10 40 IICB CN1CCCc2cc([C@@H](CNC(=O)c3ccc(C(C)(C)C)cc3)N3CCOCC3)ccc21 16838364 VLMADMCEKFSGNV-RUZDIDTESA-N 435.612 4.170 10 40 IICB COc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(C(C)C)C3=O)c2)cc1 408577822 UNPIHORCWRJZSR-UNOMPAQXSA-N 442.562 4.322 10 40 IICB CC(=O)NC1=NC(=O)/C(=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)S1 408755980 XBPVCHOOCHDAKC-PXNMLYILSA-N 435.288 4.319 10 40 IICB CN1C(=O)/C(=C\c2ccc(C(=O)NCCc3c[nH]c4ccc(F)cc34)cc2)SC1=S 9429452 LRTHIVCTBPKWNQ-VXLYETTFSA-N 439.537 4.111 10 40 IICB COC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CC[C@H](C(C)(C)C)C2 17098565 AOFOZLCGOQZXJB-HVCLXXKLSA-N 433.570 4.371 10 40 IICB Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc(N(C)C)cc3)[C@H]2C1=O 100799196 MTHKDCZYNZGXGA-SMIHKQSGSA-N 427.504 4.112 10 40 IICB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=c2\sc3nc4ccccc4n3c2=O)c1C 106953505 VYZGSYBCOWXKAA-MTJSOVHGSA-N 430.489 4.081 10 40 IICB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC 408805971 DERBLBBEVISLQX-LICLKQGHSA-N 442.899 4.421 10 40 IICB COc1ccc2ccc(OC)c(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2c1 409130790 UWANSINFLXOBSG-DEDYPNTBSA-N 446.528 4.305 10 40 IICB CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C(=O)O)ccc3C)o2)C1=O 409209754 IITCTLQSQCMVNY-WQRHYEAKSA-N 443.477 4.333 10 40 IICB CCc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3OC)C(C(=O)OC)=C2C)cc1 409267693 VUYJZMGPLUSVOG-RGEXLXHISA-N 437.492 4.152 10 40 IICB CCC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1 1346221 UDMBCYCELLOGPN-UHFFFAOYSA-N 449.492 4.471 10 40 IICB O=C1N=C(O)/C(=C\c2ccc(Br)o2)C(=O)N1c1ccc(Br)cc1 2303696 ZHCVQUHDWWMXJC-YRNVUSSQSA-N 440.047 4.311 10 40 IICB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)cc1 2377016 CELZECPHYQQABU-HYARGMPZSA-N 447.466 4.298 10 40 IICB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1C 13141914 ZLZVAFVXPTUDRZ-UHFFFAOYSA-N 440.471 4.395 10 40 IICB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccccc3C(=O)c3ccccc3)ccc21 223848459 WTVDPQZURFMHCZ-UHFFFAOYSA-N 434.517 4.018 10 40 IICB Cc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1NS(=O)(=O)c1ccccc1 224089431 IMPVAABXAPREHZ-UHFFFAOYSA-N 437.565 4.134 10 40 IICB CCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 408645266 JONLJFWPHWNQMY-UHFFFAOYSA-N 434.492 4.456 10 40 IICB COc1cccc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)c1OCC(=O)O 409335029 YKFSTYYZKZNGSF-CXUHLZMHSA-N 447.559 4.286 10 40 IICB COc1ccc(CCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3OC)SC2=S)cc1 8821583 XCKKXACWIHUQEM-AQTBWJFISA-N 445.562 4.165 10 40 IICB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1OC 12032417 BDXTXTRWJJYKOC-ODLFYWEKSA-N 442.562 4.161 10 40 IICB Cc1cc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 13749714 ZUVDSLWWQFEICG-JMIUGGIZSA-N 433.439 4.055 10 40 IICB COc1ccc([C@H](c2ccc3c(ccc4c(C)cc(=O)oc43)c2O)N2CCOCC2)cc1 20650278 XUTKTGHCVGGBNI-XMMPIXPASA-N 431.488 4.390 10 40 IICB CCOC(=O)COc1ccc(Br)cc1/C=C1/C(=O)N(c2ccccc2)N=C1C 408904630 MLBUTRXCROOHDO-LDADJPATSA-N 443.297 4.197 10 40 IICB CCCCc1nnc(NC(=O)CN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)s1 8820373 JPMCRLLMZUFOHL-XGQUATGFSA-N 444.607 4.277 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OC 408801507 UGBYILFIUNSNRW-OQLLNIDSSA-N 428.872 4.031 10 40 IICB CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3F)C(=O)NC2=S)cc1 409231451 KIRQHVMAGSRXIO-DEDYPNTBSA-N 437.540 4.381 10 40 IICB COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 409312596 FQTFDZAOKHCRJE-YBEGLDIGSA-N 429.831 4.143 10 40 IICB CCN(CC)c1ccc2c(c1)Oc1cc(O)ccc1[C@@]21c2ccccc2C(=O)N1CCO 2362804648 FJOJXHZDLYRGIT-AREMUKBSSA-N 430.504 4.084 10 40 IICB Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)OC(C)(C)C)C3=O)c2C)nc1 9259869 PYPGAHZFRISKNL-LICLKQGHSA-N 427.526 4.176 10 40 IICB CN1C(=O)C(=Cc2cn(Cc3c(F)cccc3Cl)c3ccccc23)C(=O)N(C)C1=S 59182369 GDGMMGQSHXPJBB-UHFFFAOYSA-N 441.915 4.081 10 40 IICB CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)C(=O)NC1=S 408771185 DIQYAVDBPATKCS-RCCKNPSSSA-N 429.545 4.488 10 40 IICB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1 12493792 QIJWDBJZQRDXIA-UHFFFAOYSA-N 437.437 4.339 10 40 IICB Cc1cccc(C(=O)N[C@@H](C)C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1 13069333 WPYKIZQUKQIAHQ-KRWDZBQOSA-N 436.483 4.086 10 40 IICB CN1CCN([C@@H](CNC(=O)c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)CCCN3C)CC1 22734848 XXDFXQKXBVZIFB-SANMLTNESA-N 448.655 4.085 10 40 IICB COC(=O)c1cccc(-n2c(C)cc(/C=C(/Sc3nnc(C)o3)C(=O)O)c2C)c1C 408632077 LMDKTBKJPLFOQI-VCHYOVAHSA-N 427.482 4.098 10 40 IICB CCOC(=O)COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Br 408902176 LKJNBKOFKRJMFX-GZTJUZNOSA-N 443.297 4.197 10 40 IICB CC(C)Cc1nnc(NC(=O)CN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)s1 8820374 NNBNISBADCBQMO-ZLRVCTSNSA-N 444.607 4.133 10 40 IICB COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1OC 408585908 KTCVYRAMMRYGRR-UHFFFAOYSA-N 431.897 4.389 10 40 IICB COc1ccc(C2=C/C(=C\c3cc(Br)c(OC)c([N+](=O)[O-])c3)C(=O)O2)cc1 408741262 HUOGRNMMLUDWKD-NTUHNPAUSA-N 432.226 4.356 10 40 IICB O=C1NC(=O)C(=Cc2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)C(=O)N1 409049123 UVSHIMWJYWAIIT-UHFFFAOYSA-N 441.270 4.475 10 40 IICB COc1ccc(/C=C2/SC(=O)N(CCC(=O)Nc3ccccc3C(=O)O)C2=S)cc1 1800004 LCTZZVOYYTULBB-SFQUDFHCSA-N 442.518 4.259 10 40 IICB C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1C(=O)/C(=C\c2cccs2)SC1=S 13573648 DOIQIEBTJCEUTF-VBEHJTROSA-N 441.603 4.178 10 40 IICB CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc1Br 408879695 DTUABTHHYOTEFA-PTNGSMBKSA-N 443.297 4.077 10 40 IICB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4C)o3)C2=O)cc1 408985683 XOTPUVRMSLIPRF-MOSHPQCFSA-N 444.443 4.182 10 40 IICB COCCN1C(=O)/C(=C/c2cccn2-c2ccc(C)cc2C)C(=O)N(c2ccccc2)C1=O 409016221 SWFRYTUFTPJRDS-XLNRJJMWSA-N 443.503 4.119 10 40 IICB Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(F)cc1 2394882 HKKYSTFNTVOODA-NDENLUEZSA-N 437.471 4.204 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCCOc4ccccc4)c3)C2=O)cc1 9553749 FXLDEYDZSMMDMG-HAVVHWLPSA-N 442.471 4.119 10 40 IICB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 27157236 ROYVWVRIUCEZRM-UHFFFAOYSA-N 444.579 4.385 10 40 IICB C[C@@H](C(=O)N1CCCC[C@@H]1c1cccnc1)N1C(=O)/C(=C\c2cccs2)SC1=S 33542176 MZIJFTQMUGABSG-RCWQOHCDSA-N 443.619 4.487 10 40 IICB C[C@H](C(=O)N1CCCC[C@@H]1c1cccnc1)N1C(=O)/C(=C\c2cccs2)SC1=S 33542177 MZIJFTQMUGABSG-VCBQPIDTSA-N 443.619 4.487 10 40 IICB CCc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C)cc3C)C(=O)NC2=S)cc1 108171553 PKEJBNBEDLQGBU-RCCKNPSSSA-N 429.545 4.488 10 40 IICB C[C@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(N2CCC[C@@H](C)C2)cc1 219138625 DCUDJHBQHZERPU-MOPGFXCFSA-N 433.552 4.177 10 40 IICB Cc1ccc(-n2nc(C)c(/C=C3/C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)c2C)cc1C 408756793 JOKPZJFZXKDZAA-XKZIYDEJSA-N 442.519 4.389 10 40 IICB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OC(C)C 408806656 GDPLQRIRJIBTRU-OVCLIPMQSA-N 449.290 4.456 10 40 IICB CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)C(=O)NC2=S)cc1 409231164 IJCLZFMNSHMWAN-OQLLNIDSSA-N 445.338 4.109 10 40 IICB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(Br)cc1 1312109 BKLUYGWAZHEARK-MDWZMJQESA-N 439.381 4.351 10 40 IICB COc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c(OC)c1 9137892 GEWKPLSWGWJUIO-DEOSSOPVSA-N 437.584 4.043 10 40 IICB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c(C)n1-c1cccc(F)c1 9468428 OUZNIQDGLDGMQE-AREMUKBSSA-N 445.494 4.200 10 40 IICB CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 113833806 CBBNAEGHSXFXMB-WOJGMQOQSA-N 430.507 4.404 10 40 IICB CCS(=O)(=O)Nc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 218641192 WQXJBMLTOBLQCJ-GOSISDBHSA-N 429.586 4.176 10 40 IICB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC 408786468 QJBGUDQYAWNJDY-SFQUDFHCSA-N 428.872 4.194 10 40 IICB CCCN1C(=O)/C(=C\c2cc(C)n(-c3cccnc3)c2C)C(=O)N(c2ccccc2)C1=S 409016144 CYLPXZYGJSHJDX-PXLXIMEGSA-N 444.560 4.443 10 40 IICB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c1C 14009968 YUQSQDXOHWLRES-MTJSOVHGSA-N 447.466 4.333 10 40 IICB CCS(=O)(=O)c1ccc2oc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc2c1 33890430 MEZQAWKCRSTYJI-UHFFFAOYSA-N 432.457 4.140 10 40 IICB CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCCCCC2 102258576 XCVAABAQVYBWMI-USJZOSNVSA-N 431.554 4.435 10 40 IICB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)CCOc3cccc(C)c3)c2C)cc1 3316196 DMUXSGULFDVNDW-UHFFFAOYSA-N 449.503 4.384 10 40 IICB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CSc2nc3ccccc3o2)cc1 7883684 GAVYOHDHAWBVPO-IBGZPJMESA-N 425.554 4.194 10 40 IICB O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 12130575 UBCIKZQFZPMNKY-LTBFUDJGSA-N 434.336 4.476 10 40 IICB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(Cc3c(O)ccc4ccccc34)CC2)c1C 19902734 NOMBSCUOMMXUCE-UHFFFAOYSA-N 438.593 4.286 10 40 IICB COc1ccc(-c2c(C(F)(F)F)oc3c(CN4CCOCC4)c(O)ccc3c2=O)cc1 20412361 NFBOTMQNUZLUMD-UHFFFAOYSA-N 435.398 4.025 10 40 IICB biogenic COc1ccc(N2CCN(C(=O)C34C[C@@H]5C[C@H](CC(Br)(C5)C3)C4)CC2)cc1 102588330 LTXDFTNTWDHMQR-UOBYYGQQSA-N 433.390 4.078 10 40 IICB COc1ccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(OC)cc2)cc1 13897209 AEGFLNASTGHBPV-JCMHNJIXSA-N 429.432 4.447 10 40 IICB CNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1C 408592434 KKUNZVZUPLMSCI-UHFFFAOYSA-N 442.924 4.040 10 40 IICB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c(Cc2cccc(F)c2)c1 408870775 XLBXWMAWTQGCPU-PXLXIMEGSA-N 444.462 4.400 10 40 IICB COc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)c(Br)cc1O 409197224 ZDRNZIDFDGBALN-CHHVJCJISA-N 439.356 4.119 10 40 IICB CCCCC1CCC(C(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)CC1 4661767 HOOIKEBSJXLPJP-POOLCLQXSA-N 434.646 4.265 10 40 IICB O=C(CN1CCCc2cc(OC(F)(F)F)ccc21)Nc1cc2c(cc1Cl)OCCO2 29923914 SMZNLDATVKRRFY-UHFFFAOYSA-N 442.821 4.401 10 40 IICB CN1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Cl)cc(Br)c2O)N3)C1 1307899 STJKRVRIJJCINT-CQSZACIVSA-N 428.739 4.286 10 40 IICB O=C(CSc1ncc(-c2ccc(F)cc2)n1Cc1ccccc1)NC[C@@H]1CCCO1 9254674 GBVRWAJVOOMQSV-FQEVSTJZSA-N 425.529 4.125 10 40 IICB Cc1cc(C(=O)COC(=O)c2ccc(Cl)c(N)c2)c(C)n1-c1ccc2c(c1)OCO2 11482514 KKTTXUBTEHBXFA-UHFFFAOYSA-N 426.856 4.098 10 40 IICB COc1ccc(N2CCN(C(=O)c3sc(Cc4ccc(F)cc4)nc3C)CC2)cc1 32914003 QNFDXENWXDYZDN-UHFFFAOYSA-N 425.529 4.152 10 40 IICB CN(C)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 97600810 IHKZBHLSZFXOLE-LICLKQGHSA-N 449.454 4.446 10 40 IICB CCN(c1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1)S(C)(=O)=O 218781072 QKYMQPJHMSTAGC-IBGZPJMESA-N 443.613 4.200 10 40 IICB COc1cc(N2CCCC2)c(OC)cc1/C=C1\NC(=O)N(Cc2ccc(Cl)cc2)C1=O 409096761 KZCCOJJPBUDBTA-WQRHYEAKSA-N 441.915 4.050 10 40 IICB C[C@@]1(O)CCN(Cc2ccccc2O)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 604383108 JGEWTHYRNNQJIV-KYPHJKQUSA-N 434.511 4.028 10 40 IICB biogenic,in-vitro CCNc1nc(NCC)n2c(SCC(=O)c3ccc(-c4ccccc4)cc3)nnc2n1 3220977 IUHXABRRHNOHRT-UHFFFAOYSA-N 433.541 4.025 10 40 IICB O=C(NN1C(=O)c2ccccc2N[C@H]1c1ccccc1O)c1ccc(Br)cc1 3641540 BSKMKTIBOYFZLB-LJQANCHMSA-N 438.281 4.066 10 40 IICB O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc2oc(=O)ccc2c1 9253697 RNWJBQAOLDSFIL-PDGQHHTCSA-N 436.514 4.023 10 40 IICB Cc1nc2cc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)ccc2n1-c1ccccc1 9968992 QRIPICQZEPMLFS-UHFFFAOYSA-N 440.547 4.443 10 40 IICB N=C1/C(=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)C(=O)N=C2SC=NN12 41076651 BDGZPLSSLMTESI-AAPSMPFESA-N 445.287 4.462 10 40 IICB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OC 59435676 XXYCBHOEDWDQEV-PDGQHHTCSA-N 442.309 4.331 10 40 IICB COc1ccc(C2=C/C(=C\c3ccc(OC)c(I)c3)C(=O)O2)cc1 83260580 ZIACZRBTQCTZBV-NTEUORMPSA-N 434.229 4.290 10 40 IICB Cc1c(NS(C)(=O)=O)cccc1C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 218579628 YMLFCBRNRCRAGK-AEFFLSMTSA-N 429.586 4.094 10 40 IICB O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(Br)o1 408722315 GZODZGOLVFWJRU-RMKNXTFCSA-N 446.109 4.180 10 40 IICB CC(=O)[C@H]1[C@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccc(C)cc3N12 9307981 OFCMPHRWWYSXAE-DSITVLBTSA-N 434.495 4.412 10 40 IICB CN(C)c1ccc(/C=C/C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 32904557 OOPVSHBTSVFHKX-JLHYYAGUSA-N 432.593 4.234 10 40 IICB CCC(=O)N1[C@@H](C)CN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(N(CC)CC)cc1 103088993 WOCGICRUBPNGLD-YADARESESA-N 443.613 4.171 10 40 IICB COC(=O)CN1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S 409199336 CBCURXRUVNGIGQ-ZSOIEALJSA-N 438.324 4.083 10 40 IICB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccn1 223452063 CLDQOJUHCVSIMR-DNQXCXABSA-N 440.576 4.452 10 40 IICB CN(C)c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1 224092608 MWNHLXQGQATTTO-UHFFFAOYSA-N 443.956 4.137 10 40 IICB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\Sc3nnc(C)o3)C(=O)O)c2C)cc1 408632082 NHBYSVBTPUBCKR-WQRHYEAKSA-N 427.482 4.180 10 40 IICB COc1ccccc1/C=C1\SC(=S)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O 409346065 NGPFBVABEQNWQT-NVMNQCDNSA-N 428.579 4.144 10 40 IICB Cc1ccc(OCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1 17042929 IARDOAUDWWCLIW-HHHXNRCGSA-N 443.591 4.356 10 40 IICB Cc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1ccccc1 41084184 IWHJBHIJLRIJHU-PLLOTBJKSA-N 426.505 4.157 10 40 IICB CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2cccc(C)c2)SC1=S 256055514 JMTPVDXMGNKKJU-GXYBQNOFSA-N 426.563 4.283 10 40 IICB Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)NC2=S)cc1Cl 409235044 NPRLYLOQJQRQTF-MHWRWJLKSA-N 443.931 4.219 10 40 IICB Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)NC2=S)c1 409238405 ZMQUQUXIZAJKAN-PDGQHHTCSA-N 446.484 4.093 10 40 IICB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 409248475 KQKPJXJXCMTXSL-JCMHNJIXSA-N 439.446 4.495 10 40 IICB CC[C@H](C)Oc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(OC)cc2)C1=O 1417328 SMZFDYCPGXNEMF-ITRAFESCSA-N 442.562 4.419 10 40 IICB O=C(Cn1cc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c2ccccc21)NC[C@@H]1CCCO1 3648608 PYGUOUXPSNUWBQ-MZYRPWKCSA-N 435.911 4.083 10 40 IICB COC(=O)CCCCCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 6148763 PCNPYVOBEAMRQT-SDNWHVSQSA-N 428.373 4.384 10 40 IICB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cc(Cl)ccc3O)C2=O)cc1 8819101 KKVIRHCQVFNIBF-MFOYZWKCSA-N 448.953 4.284 10 40 IICB C[C@@H](C(=O)N1CCCC[C@H]1c1cccnc1)N1C(=O)/C(=C/c2cccs2)SC1=S 9253461 MZIJFTQMUGABSG-JIUVDOBVSA-N 443.619 4.487 10 40 IICB biogenic CCc1ccc(N2C(=O)NC(=O)/C(=C/c3c[nH]c4ccc(Br)cc34)C2=O)cc1 17101889 OPPUREUZQIWBHR-MFOYZWKCSA-N 438.281 4.159 10 40 IICB C[C@@H](C(=O)N1CCCC[C@H]1c1cccnc1)N1C(=O)/C(=C\c2cccs2)SC1=S 62824998 MZIJFTQMUGABSG-ZYFLZRNESA-N 443.619 4.487 10 40 IICB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c1C 222745988 DWNVILYLSIBRLN-LEWJYISDSA-N 437.525 4.008 10 40 IICB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3c(OCC)ccc4ccccc34)C2=O)cc1 408740137 IRRSAEJVAZVNSR-QNGOZBTKSA-N 430.460 4.304 10 40 IICB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 409022857 GUSFXVVBNJLUKO-SXGWCWSVSA-N 442.855 4.442 10 40 IICB CC(C)Cc1nnc(NC(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)s1 2306820 MSXNICZQUNFFOJ-XFXZXTDPSA-N 438.625 4.028 10 40 IICB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OC(C)=O 13914679 SZCXHXXYFUNKMH-SXGWCWSVSA-N 429.270 4.189 10 40 IICB O=C1/C(=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)SC(=S)N1c1cccc(Cl)c1 59514494 VDRZOZGJLHDQPD-WLRTZDKTSA-N 437.842 4.268 10 40 IICB Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c1C 223582212 XGFFNYDFMYLVRY-YADHBBJMSA-N 441.000 4.416 10 40 IICB O=C(CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccccc1C(=O)O 1214002 ZLDLRMXBPMWDMZ-GHRIWEEISA-N 426.519 4.005 10 40 IICB CCOc1ccc(/C=C2\C(=O)N(c3cc(OC)c(Cl)cc3OC)C(=O)N=C2O)cc1 33417130 XJSHRCGHDIUERT-ZROIWOOFSA-N 430.844 4.263 10 40 IICB Cc1cc(C(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c(C)n1-c1ccc2c(c1)CCC2 35392947 VEJBEIGJCWEXRB-UHFFFAOYSA-N 440.547 4.134 10 40 IICB COc1ccc(N2CCCN(CC(=O)N(C)C(c3ccccc3)c3ccccc3)CC2)cc1 83843914 CXXYYMBKZKBOKD-UHFFFAOYSA-N 443.591 4.455 10 40 IICB Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)c2C)c1 223620377 WFPDZROUEJVTBR-RPWUZVMVSA-N 434.609 4.461 10 40 IICB C[C@@H](NC(=S)Nc1ccc(Br)cc1F)c1ccc(N2CCOCC2)cc1 225838788 DLAUBQPOZQIEJZ-CYBMUJFWSA-N 438.366 4.472 10 40 IICB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc(C)c3)C2=O)cc1 408812342 LPFFJBZJXQRSTK-PXLXIMEGSA-N 442.471 4.249 10 40 IICB COC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)c2C)cc1 16268357 AOSKNOWFRHMAEE-LPYMAVHISA-N 447.466 4.113 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1O 408891594 SYFBLWGNUJSJNB-AWNIVKPZSA-N 435.263 4.073 10 40 IICB COc1cccc(/C=C2\SC(Nc3cccc(Cl)c3C)=NC2=O)c1OCC(=O)O 4163891 ALUYFEBYKGCQAQ-SXGWCWSVSA-N 432.885 4.203 10 40 IICB CC1=NN(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)ccc1OCC(=O)O 13914985 HSQMRMPIMORJGD-NTEUORMPSA-N 449.688 4.372 10 40 IICB Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(N5CCCC5)SC4=NC3=O)c2C)c1C 41085166 APJKGVNMCVGUQM-QGUUBAPPSA-N 446.580 4.383 10 40 IICB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\NNc3cccc(Cl)c3Cl)C2=O)c(C)c1 408529818 IBZBMNRIPCDTKZ-UKTHLTGXSA-N 433.295 4.002 10 40 IICB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)C(=O)NC2=S)c(C)c1 409135618 QNXDRJJVQLXYRM-LDADJPATSA-N 446.484 4.093 10 40 IICB CCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc1OCC 409347354 PMIPBSPXXPYCKW-ATVHPVEESA-N 448.591 4.482 10 40 IICB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c(C)n1-c1ccc(F)cc1 3270133 AEFNKWSSZZWSMF-SANMLTNESA-N 445.494 4.200 10 40 IICB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 15228049 QRVRBKSEELOAHB-PZLPMSIKSA-N 433.504 4.117 10 40 IICB Cc1cc(N2CCCCC2)ccc1/C=C1/C(=O)N(c2ccc3c(c2)OCO3)C(=O)N=C1O 59104486 RTHOSIAPKQDCTI-XDHOZWIPSA-N 433.464 4.221 10 40 IICB CCOc1nonc1/N=N\N(Cc1ccc(Cl)cc1Cl)c1nonc1OCC 100499628 INEHUISMWOHBLS-NKFKGCMQSA-N 428.236 4.262 10 40 IICB COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OC(C)C)cc3)SC2=S)cc1 107792213 SETOTXCGKFSBAG-PDGQHHTCSA-N 428.535 4.029 10 40 IICB CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\Nc1ccc([N+](=O)[O-])cc1O 408535872 UHVFNEQMZKAVGT-ZROIWOOFSA-N 431.246 4.090 10 40 IICB CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1O 408896711 ZEXWZLCFXAPKSE-ATVHPVEESA-N 428.282 4.422 10 40 IICB CN1CCc2c(sc3c2C(O)=N[C@H](c2cc(Cl)cc(Br)c2O)N3)C1 9045265 STJKRVRIJJCINT-AWEZNQCLSA-N 428.739 4.286 10 40 IICB COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 14413807 KEATYMFILJNPHY-ZSOIEALJSA-N 446.818 4.273 10 40 IICB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O)Nc1ccc(F)cc1F 35077525 NRGZMUJKASOIEV-YBFXNURJSA-N 443.475 4.240 10 40 IICB Cc1c(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc2n1C 59303087 ZSNDMPIIWWJJAT-GDNBJRDFSA-N 428.275 4.460 10 40 IICB COC(=O)C[C@H](c1ccccc1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96220965 TVYLBGQRRQGJFE-MRXNPFEDSA-N 432.428 4.272 10 40 IICB biogenic COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccn2)c1C 223061372 YXBLLECJDRXFCU-GOTSBHOMSA-N 435.597 4.202 10 40 IICB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C)c1C 223686895 DECDABOBUIRWRL-RPWUZVMVSA-N 448.592 4.333 10 40 IICB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(OCc2ccc(C)cc2)c1 408798374 HZAMIMPDULPDFJ-HYARGMPZSA-N 442.471 4.249 10 40 IICB Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3C)C2=O)ccc1N1CCCC1 409209465 BTWDMHKSNSWNLU-LCJWNIEWSA-N 427.570 4.033 10 40 IICB CCOc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCC(N)=O 409217817 WXPFMFVOVIJPRR-RQZCQDPDSA-N 448.953 4.009 10 40 IICB COc1ccc2c3c(n(C[C@H]4Cc5ccccc5O4)c(=O)c2c1OC)-c1ccccc1C3=O 604404456 NVWALUSUBKDEGR-MRXNPFEDSA-N 439.467 4.234 10 40 IICB biogenic CC(=O)N1CCN(C2=NC(=O)/C(=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)S2)CC1 10382354 AZHUARHLUJEDRI-LDADJPATSA-N 449.454 4.100 10 40 IICB CN(Cc1ccc(N2CCOCC2)cc1)Cn1nc(-c2ccc(Cl)cc2)n(C)c1=S 16878661 XCWNFYSHQWLWKO-UHFFFAOYSA-N 444.004 4.198 10 40 IICB CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260453151 FJZDXXZYBTXPGK-RBUKOAKNSA-N 443.613 4.200 10 40 IICB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cc(C(=O)O)ccc4C)o3)C2=O)c1 408788368 DZIQVTYKQLHQQV-UDWIEESQSA-N 444.443 4.236 10 40 IICB Cn1cc(/C=C2\SC(NC(=O)c3ccccc3Br)=NC2=O)c2ccccc21 8821938 YELXEINEOFNFEI-YVLHZVERSA-N 440.322 4.341 10 40 IICB CCOc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)cc1 41076742 UWHALSUGFQSROZ-JSIBOBQWSA-N 431.477 4.136 10 40 IICB Cc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c2ccc(F)cc2n1 108281991 WEYQJUVBQQZWRU-HOTGVXAUSA-N 425.479 4.365 10 40 IICB CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC[C@H]3C)c3ccccc23)SC1=S 409133865 NOEUEPUBLWXGEN-VUFYJBQKSA-N 427.595 4.263 10 40 IICB O=C1N=C(O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 13785806 JCSVDCROZQGKLW-GZTJUZNOSA-N 436.807 4.169 10 40 IICB COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@H]4c2ccc(O)c(O)c2)cc1 85875816 LREVLNVNFHRZTI-HNNXBMFYSA-N 446.411 4.026 10 40 IICB biogenic CCN1CCN(c2cccc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)c2)CC1 585079526 ACJQWCHRXBYJPB-UHFFFAOYSA-N 426.520 4.076 10 40 IICB COC(=O)c1ccccc1NC(=O)CC1(c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O 1004654 IPAGFWQHRACOIQ-UHFFFAOYSA-N 447.874 4.472 10 40 IICB CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1OC 1830850 LSLJLZVDGWOICW-BOPFTXTBSA-N 448.953 4.294 10 40 IICB Cc1ccccc1N1O[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]1c1ccc(N(C)C)cc1 3880259 GLPRDMNJRZUXOQ-TZRRMPRUSA-N 427.504 4.112 10 40 IICB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccc(C)cc1 41082498 ZPKIVGXGJWGBAI-AYACGFHNSA-N 447.491 4.302 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)cc1 9435976 SFFZGOOTOGPFSM-PDGQHHTCSA-N 431.404 4.138 10 40 IICB CC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3cc(C)ccc3O)=NN12 10214071 QTTVGZGCBPYYOX-FQEVSTJZSA-N 425.916 4.236 10 40 IICB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cccn1Cc1ccc(Cl)c(Cl)c1 13661865 MBBOVJSMSZSEMQ-YBEGLDIGSA-N 444.274 4.098 10 40 IICB CCOc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1 41076309 DCGDZUKHTCNDHA-FAPXRBRKSA-N 433.415 4.057 10 40 IICB COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccccc1OC 58884085 AYEIATJMMLLNPG-BOPFTXTBSA-N 428.282 4.335 10 40 IICB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)c(O)c(Cl)c2)C1=O 409045155 FKFUBQIGKZLEBK-BJMVGYQFSA-N 425.655 4.327 10 40 IICB Cc1ccc(S(=O)(=O)Oc2ccccc2[C@H]2NN=C(c3ccccc3O)S2)cc1 3162206 DNEUBYYXTZBHPY-NRFANRHFSA-N 426.519 4.165 10 40 IICB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1ccc(Br)cc1 8821893 SRDHVPLSKPLMBR-AQTBWJFISA-N 446.345 4.381 10 40 IICB CCCCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)o2)cc1 208681845 VATATFKNLGZOAZ-PGMHBOJBSA-N 430.460 4.365 10 40 IICB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4nc5ccccc5[nH]4)o3)C2=O)c1 408776154 MRHBXSQXKOLWHM-FOWTUZBSSA-N 444.472 4.282 10 40 IICB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1cccc(OCc2ccccc2F)c1 408936516 KSKMYDYVUXPJHW-QGOAFFKASA-N 434.398 4.210 10 40 IICB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)c(O)c(Cl)c2)C1=O 409060380 ZMAPURZXEGZGFV-NYYWCZLTSA-N 425.655 4.327 10 40 IICB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc(Cl)c1OC(C)C 409247454 CIHBRVIOBVHCMR-OQLLNIDSSA-N 444.940 4.276 10 40 IICB O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)NC12CC3CC(CC(C3)C1)C2 4510682 VZLMNVJVQVEGJM-ODLFYWEKSA-N 426.607 4.363 10 40 IICB O=C1/C(=C/c2ccccc2)SC(=S)N1CCC(=O)N1CCCC[C@@H]1c1cccnc1 33719027 HOLVBYSBRGUJTL-GCFJHJGGSA-N 437.590 4.427 10 40 IICB CC[C@H](C)OC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1CCCC2 102345785 ZRTARTCKEOUQGK-PUMWCKSCSA-N 431.554 4.434 10 40 IICB Cc1cc(N)c(-n2cc3c(c2-c2ccc(C(C)(C)C)cc2)c(=O)n(C)c(=O)n3C)cc1C 2424805 BJSJDGHJINAOPF-UHFFFAOYSA-N 430.552 4.191 10 40 IICB Cc1ccc(N2C(=O)C[C@@H](N3C(=O)/C(=C\c4ccc(Cl)cc4)SC3=S)C2=O)cc1 9334855 LQYKGZNJNUAIKR-FCNRDGCESA-N 442.949 4.182 10 40 IICB Cc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1 34701911 IWJBCAJRZWRQPY-RFNDTBEZSA-N 444.495 4.296 10 40 IICB CCN(CC)c1ccc(/C=C2/SC(=O)N(CNc3ccc(C(=O)OC)cc3)C2=O)cc1 59417940 QSASDTFUNWIKTQ-XSFVSMFZSA-N 439.537 4.425 10 40 IICB O=C(Cc1ccccc1)N(Cc1ccco1)C1CCN(c2ccc3c(c2)OCCO3)CC1 72342257 FFCGYFRIAWXYNM-UHFFFAOYSA-N 432.520 4.291 10 40 IICB CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4)C3=O)cc21 208445047 WSBCIPJTQWONRM-DEDYPNTBSA-N 431.561 4.458 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Br)c3O)C2=O)cc1C 408844781 FHGFJHPNCGNYTH-VGOFMYFVSA-N 449.688 4.091 10 40 IICB COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)c(OC)c1 409141105 LZECIHFBXOJSAX-RQZCQDPDSA-N 448.953 4.212 10 40 IICB Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1NC(=O)c1ccccc1 409208485 CMFVTZMAGKYURH-BKUYFWCQSA-N 448.910 4.235 10 40 IICB CCOc1cc(/C=C2\SC(=S)N(CC(=O)OC)C2=O)ccc1OCc1ccccc1 409210174 IOAHMIJNLMHXOP-UNOMPAQXSA-N 443.546 4.039 10 40 IICB CC(=O)Nc1ccc(/N=N/c2c(S(=O)(=O)O)cc3cc(NC(C)=O)ccc3c2O)cc1 4887194 CECGUGFIJCQUOO-WCWDXBQESA-N 442.453 4.124 10 40 IICB Cc1cc(C(=O)CSc2nnc(-c3ccncc3)n2C2CC2)c(C)n1-c1ccccn1 9945487 OMEDUUFNZRAFGD-UHFFFAOYSA-N 430.537 4.453 10 40 IICB CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1 409208025 DWQKURXLTQSADS-JCMHNJIXSA-N 449.576 4.154 10 40 IICB CCN1C(=O)C(=C/C=C/C=C/C=C2\Sc3ccccc3N2CC)C(=O)N(CC)C1=S 685944776 WKJXXHUWIYDRSU-HHGQMKNQSA-N 439.606 4.494 10 40 IICB CCN(CC)C(=O)Oc1cccc2c1C(=O)c1cccc(OC(=O)N(CC)CC)c1C2=O 12411527 IPDVUCBLLYWMPA-UHFFFAOYSA-N 438.480 4.143 10 40 IICB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(F)cc1 223267385 DVSCXFJIWVJNMC-DHIUTWEWSA-N 437.588 4.162 10 40 IICB Cc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(C)C)cc3)C2=O)ccc1Br 408756056 SZLFWBBVFBVQLB-GZTJUZNOSA-N 443.297 4.211 10 40 IICB Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)NC2=S)c1C 409140047 DCOALXQVEQWLNV-PDGQHHTCSA-N 447.472 4.303 10 40 IICB O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc(C(=O)O)c1 1894861 KMJQRLFWICNYKU-PTNGSMBKSA-N 432.548 4.066 10 40 IICB COc1cccc(OC)c1C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 9137471 WXSJZBALBWQGGV-JOCHJYFZSA-N 437.584 4.043 10 40 IICB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)c1C 9291140 IJECVXUQDNKLTQ-HINGXDCCSA-N 427.917 4.395 10 40 IICB Cc1ccc(-c2cnc(SCC(=O)Nc3nnc(C)s3)n2Cc2ccco2)cc1 44086203 ZYHUVUAAFCONSV-UHFFFAOYSA-N 425.539 4.391 10 40 IICB CC[C@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)N(CCc2ccccc2)C(=O)N=C1O 102717929 WOKBVVULXVMIPK-DSPRMBBKSA-N 430.508 4.124 10 40 IICB CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260452875 AGUIBRMUGUHOAM-ROUUACIJSA-N 429.586 4.176 10 40 IICB COc1ccc(N2CCN(c3ncc4c(n3)C[C@H](c3ccc(C)cc3)CC4=O)CC2)cc1 10156607 MJAREKVBSRUOAI-FQEVSTJZSA-N 428.536 4.033 10 40 IICB Cc1cc(Br)c2c(c1I)C(=O)c1ccccc1C2=O 3845305 DWFRIXUTDDSOAC-UHFFFAOYSA-N 427.035 4.138 10 40 IICB biogenic Cc1cc(C)cc(OCCn2cccc2/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c1 8738443 LQYKSISIZQIEAG-KGENOOAVSA-N 433.464 4.279 10 40 IICB N=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N=C2SC(N3CCCC3)=NN12 41084916 YYEPETIKXLLMGW-OTLVRQKTSA-N 425.901 4.272 10 40 IICB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(C[C@@H](O)CN2CCCCC2)c2ccccc12 101305083 WAJAAXUKXQAYFT-AJPHYDNBSA-N 442.563 4.294 10 40 IICB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCc1ccccc1 408739604 CWZILXMUCWPITP-KGENOOAVSA-N 442.471 4.249 10 40 IICB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C1=O 409088353 LGOWWLDATPBZLM-OPFCKLNOSA-N 436.892 4.484 10 40 IICB Cc1cc(C(=O)COc2ccc3ccc(=O)oc3c2)c(C)n1-c1ccc2c(c1)OCCO2 8761006 HQZUMWGNNXOPBZ-UHFFFAOYSA-N 431.444 4.233 10 40 IICB CN(C)c1ccc([C@H](CNC(=O)C2CCCCC2)N2CCN(c3ccccc3)CC2)cc1 16914016 XBNSLFVFRZTRAM-SANMLTNESA-N 434.628 4.312 10 40 IICB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1ccccc1 41082579 GYIKMVOXMXXNQT-VDCIBEPTSA-N 447.491 4.384 10 40 IICB C[C@H](NC(=O)N1CCC(CCc2ccc(O)cc2)CC1)c1ccc(N2CCOCC2)cc1 58232120 NFKKLKBZVQORHE-FQEVSTJZSA-N 437.584 4.344 10 40 IICB COc1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1Br 59135763 WNRYTPPALCFZSL-DHZHZOJOSA-N 435.274 4.268 10 40 IICB O=C(NN1C(=O)/C(=C\c2ccc(O)c(Cl)c2)SC1=S)c1ccc(Cl)cc1 409331707 ONZQXVQLYFXMIV-RIYZIHGNSA-N 425.318 4.245 10 40 IICB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1cc(OC)c(OC)cc1C(=O)OC 8857466 UBLVHNMNKQOCOW-LGMDPLHJSA-N 441.459 4.128 10 40 IICB O=C(NN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)c1ccc(Br)cc1 13712481 JJTHCCFVEHZALY-ZROIWOOFSA-N 437.315 4.134 10 40 IICB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(OC)c2)c1C 223010942 GYSAKVJVZPTNHC-DHIUTWEWSA-N 436.581 4.117 10 40 IICB Cc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223265556 LLUBPCOQJKKEAH-ZEQRLZLVSA-N 433.625 4.332 10 40 IICB COc1ccc2c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(C(=O)O)[nH]c2c1 256055797 ULRBMRHFKZBBPT-PDGQHHTCSA-N 438.530 4.319 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1ccc(C)cc1 408692367 KXDFHHOHNOUJJV-KGENOOAVSA-N 448.519 4.377 10 40 IICB Cc1cc2c(cc1C=C1C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C1=O)OCO2 408991653 QUKWFEXHCBGAND-UHFFFAOYSA-N 442.496 4.472 10 40 IICB CCOC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1 409347711 QXXRRCVVDBSVFL-UYRXBGFRSA-N 443.546 4.433 10 40 IICB Cc1cc(C(=O)COn2nnc3ccc(C(F)(F)F)cc32)c(C)n1-c1ccc(F)cc1 2662766 SIDYEZYFZRAXTB-UHFFFAOYSA-N 432.377 4.308 10 40 IICB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3)C2=O)cc1OC 8819436 QBNSGDJZETWEAT-RGEXLXHISA-N 442.562 4.324 10 40 IICB CCCOC(=O)c1ccc(NC(=O)COC(=O)c2cccc(-n3c(C)ccc3C)c2)cc1 408647627 SXDRITMJIXOZCJ-UHFFFAOYSA-N 434.492 4.456 10 40 IICB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)o1 408963283 YSUBNFANOGRZEM-XDHOZWIPSA-N 444.443 4.236 10 40 IICB COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)OCC(C)C)C3=O)c2C)cc1 409216666 NOJWGFNQIOVFNF-JAIQZWGSSA-N 442.537 4.338 10 40 IICB CCc1ccc(N2C(=O)/C(=C/c3c(OC)ccc4ccc(OC)cc34)C(=O)NC2=S)cc1 409369318 AVIWIXDPAYZMSA-KGENOOAVSA-N 446.528 4.251 10 40 IICB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H](C)NC(=O)c3cccc(C)c3)c2C)cc1 13062746 NBPWXSJEKJHVAU-LJQANCHMSA-N 432.520 4.255 10 40 IICB C/C(NCCc1ccc(O)cc1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 19635897 MWRFAVYIZCQJDT-QJOMJCCJSA-N 442.475 4.158 10 40 IICB O=C(C1=CN(c2ccc(F)c(Cl)c2)c2cc(F)ccc2S1(=O)=O)N1CCCCC1 49003945 HMSPSNIRLNMAJJ-UHFFFAOYSA-N 438.883 4.398 10 40 IICB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccn1 223299824 COTREUNHWKPNTF-NMNUPHIUSA-N 433.581 4.036 10 40 IICB Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3F)C(=O)NC2=S)cc1Cl 409220798 FYEFOVBPRDZNSZ-LFIBNONCSA-N 439.899 4.410 10 40 IICB O=C1Nc2ccccc2/C1=C/c1ccc(N2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 8857385 BAYQPEJHCWBBGE-PGMHBOJBSA-N 426.476 4.414 10 40 IICB CCN(CC)c1ccc(N/C=C2\C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 9355095 SWZWHLBRLNYVTB-QGOAFFKASA-N 446.429 4.130 10 40 IICB Cc1cc(C(=O)CSc2nc3ccccc3c(=O)[nH]2)c(C)n1-c1ccc2c(c1)OCO2 9508193 YJJMBSQVJATOSK-UHFFFAOYSA-N 433.489 4.034 10 40 IICB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C1=O 12364210 UNJARVPFGBMJBX-PXLXIMEGSA-N 442.519 4.135 10 40 IICB O=C1/C(=C\c2ccc(-c3ccccc3F)o2)SC(=S)N1CCCN1CCOCC1 23114835 MKQRKPVVNYLVOL-XMHGGMMESA-N 432.542 4.009 10 40 IICB CCCc1nc(S/C(=C\c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)C(=O)O)n[nH]1 408633489 ZCCWMKPCVOJSGR-BOPFTXTBSA-N 426.498 4.081 10 40 IICB CCOc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)C(=O)NC2=S)c1 408741979 TZOXHUAUUXZBJK-HMAPJEAMSA-N 445.544 4.324 10 40 IICB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)NC2=S)c(C)c1 409145788 QYLWJCSWIHBKPD-LDADJPATSA-N 447.472 4.303 10 40 IICB COc1ccc(N2CCOCC2)c(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)c1 21124089 ZNCUTPZXKBPBOV-ZZXKWVIFSA-N 437.323 4.499 10 40 IICB COc1ccc(N2CCN(c3ncnc4c3cnn4-c3cc(Cl)ccc3C)CC2)cc1 21661444 PMXIQNIIBGKFPD-UHFFFAOYSA-N 434.931 4.113 10 40 IICB CO[C@@]12C=C[C@H](CC1)[C@H]1C(=O)c3c(OC(=O)OCc4ccccc4)ccc(O)c3C(=O)[C@@H]12 103115423 RHXQREPTELGYAS-YVQCIIQCSA-N 434.444 4.084 10 40 IICB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc(F)c3)C2=O)c1 408883537 VPCFLPAJCMZTAD-KGENOOAVSA-N 430.435 4.380 10 40 IICB CC(C)c1cc(C(=O)N2CCC[C@@]23CCCN(c2ccc(Cn4cncn4)cc2)CC3)no1 585100804 XFRXSLGHMOQPAV-RUZDIDTESA-N 448.571 4.103 10 40 IICB COC(=O)CCCCCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 8872484 WYYGNXOXBSZQGA-SDNWHVSQSA-N 428.373 4.384 10 40 IICB O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 13576560 RQWNRRHPIXDKRB-STZFKDTASA-N 449.304 4.490 10 40 IICB Cc1cccn2c(=O)cc(CSc3ncc(-c4ccccc4)n3C[C@@H]3CCCO3)nc12 21728687 RALWIXLZFJEFRV-FQEVSTJZSA-N 432.549 4.338 10 40 IICB Cc1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)ccc1[N+](=O)[O-] 89591373 XUMKKDPZRRUZID-UHFFFAOYSA-N 436.420 4.079 10 40 IICB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OC(C)C)c(Cl)c2)C1=O 409233398 VVJXSUBLSVKKNH-RVDMUPIBSA-N 428.872 4.192 10 40 IICB CCCN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(I)c3)c2C)C1=O 409235004 ALVVKGVOIKLLCJ-LICLKQGHSA-N 449.292 4.001 10 40 IICB O=C1NC(=S)S/C1=C\c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1 8860890 RDNLDEBUUPFGFH-WQRHYEAKSA-N 427.528 4.096 10 40 IICB CN1C(=O)C(=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)N(C)C1=O 9144454 ZRHRJCRBHZTQRC-UHFFFAOYSA-N 442.302 4.430 10 40 IICB Cc1ccccc1C1=NN2C(=N)/C(=C/c3cccc(Br)c3)C(=O)N=C2S1 41108083 QEJUIGCTPYMWER-ACXWOISZSA-N 425.311 4.425 10 40 IICB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1OC 409230559 FLEZJOUQUBRURE-OQLLNIDSSA-N 444.940 4.195 10 40 IICB CN(C)c1ccc([N+](=O)[O-])cc1/C=C1/C(=O)N(c2cccc3ccccc23)C(=S)N=C1O 16186541 HRJGAXPBRVHOCV-QGOAFFKASA-N 446.488 4.486 10 40 IICB CCCCC1=NN2C(=N)/C(=C/c3cccn3-c3cc(OC)ccc3OC)C(=O)N=C2S1 41082824 BKFMYVFXZGENPS-NTCRLEKGSA-N 437.525 4.304 10 40 IICB CN(C)c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 224083707 GKXOQLHUNLSHDJ-UHFFFAOYSA-N 443.956 4.137 10 40 IICB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(N3CCCCCC3)o2)C(=O)NC1=S 409100526 UGBASZVZUQSSJK-DTQAZKPQSA-N 443.956 4.453 10 40 IICB CCc1ccccc1NC(=O)CN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S 8819367 VJZSRKODVZEDTN-UNOMPAQXSA-N 442.562 4.106 10 40 IICB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3c[nH]c4ccc(Br)cc34)C2=O)c1C 16349975 HVFDYTKZCWXNTO-LZYBPNLTSA-N 438.281 4.214 10 40 IICB Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c1C 223582940 KJHFJXQQAJIQBK-YADHBBJMSA-N 441.000 4.416 10 40 IICB Cc1cccc(COc2c(Cl)cc(/C=C3\C(=O)NC(=S)N(C)C3=O)cc2Cl)c1 408913188 TYZMIBBWLKJGSL-VGOFMYFVSA-N 435.332 4.137 10 40 IICB CCOc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3OC)SC2=S)cc1 8819294 BDNFTZMISOKXHY-RGEXLXHISA-N 442.562 4.324 10 40 IICB Cc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1Cc1ccccc1 9185272 LENYWSHTSHUKRW-JXOFPYFMSA-N 440.532 4.216 10 40 IICB O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cccc(C(=O)O)c1 16672971 REKMQJYETOXPRJ-KGTQDBRDSA-N 438.530 4.171 10 40 IICB COc1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1 49003906 PKYUTYKFKUSUBO-UHFFFAOYSA-N 432.929 4.128 10 40 IICB COc1ccc(N2C(=O)/C(=C/c3c(C(=O)O)[nH]c4cc(OC)ccc34)SC2=S)cc1 54361164 WWMGNOSCABLJDA-YVLHZVERSA-N 440.502 4.289 10 40 IICB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)C(C)=CC(C)(C)N4C)C2=O)c1 208445223 ATGYNLJSIDTYGY-FYJGNVAPSA-N 445.519 4.383 10 40 IICB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCCCC1 408527573 GAGMETGOLKATHR-LGMDPLHJSA-N 434.475 4.116 10 40 IICB CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)c1 408934502 DVFSMZWLYSAFGY-NTEUORMPSA-N 438.789 4.424 10 40 IICB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1Cc1ccccc1 408960107 BUBYDJYRVUHHEH-FYJGNVAPSA-N 433.895 4.473 10 40 IICB CCOc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc([N+](=O)[O-])c1O 409332885 SNYJOIIXMPPAGQ-YBEGLDIGSA-N 432.479 4.114 10 40 IICB COc1ccc(N2CCN(c3nc(C)c(Cc4cccc5ccccc45)c(=O)[nH]3)CC2)cc1 16776782 VLNNKCZYHTXJRI-UHFFFAOYSA-N 440.547 4.158 10 40 IICB COCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S 16805278 YNLWSEKCHJQYSW-ATVHPVEESA-N 427.576 4.448 10 40 IICB CCN1CCN(Cc2c(O)ccc3c(=O)c(-c4ccc(Br)cc4)coc23)CC1 20358674 DINMFTIPFRHFDO-UHFFFAOYSA-N 443.341 4.066 10 40 IICB biogenic COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(OCc2ccccc2F)c1 408888218 TZPXZRUVNLHYHA-DEDYPNTBSA-N 446.434 4.080 10 40 IICB Cc1ccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)SC2=S)cc1 409344732 IDXSLSZEDPMOBU-CPNJWEJPSA-N 441.534 4.146 10 40 IICB CCCCCN1C(=O)/C(=C/c2c(NCC(C)C)nc3ccccn3c2=O)SC1=S 2247091 YEBVJVOVZLAXGJ-VBKFSLOCSA-N 430.599 4.154 10 40 IICB COc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)c1 2396857 BEXUDILTPVQHNU-CIAFOILYSA-N 449.894 4.423 10 40 IICB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3O)C2=O)cc1 13575220 SCYQZWFWWYTENA-AQTBWJFISA-N 428.535 4.021 10 40 IICB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(O)cc1 223310574 PXIPAMRCSLBGCL-ZTCOLXNVSA-N 448.592 4.346 10 40 IICB COc1cc(N2CCCC2)c(OC)cc1/C=C1/NC(=O)N(c2ccc(Cl)cc2)C1=O 409246134 FMMRGVGUNIKEBA-GZTJUZNOSA-N 427.888 4.055 10 40 IICB Cc1cc(/C=C2/C(=O)N=C(S)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1 1278014 KFXLQBWFONMQJW-BKUYFWCQSA-N 433.508 4.471 10 40 IICB O=C1/C(=C/c2ccc(N3CCCCC3)o2)SC(=S)N1Cc1ccc2c(c1)OCO2 2326410 MVWFJRXUZLUBOW-WQRHYEAKSA-N 428.535 4.400 10 40 IICB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 14406591 MNQXNJTYACAMKW-RGEXLXHISA-N 437.492 4.288 10 40 IICB COc1ccc(-c2csc(N3N=C(C)[C@H](/N=N/c4cccc(C(=O)O)c4)C3=O)n2)cc1 100510854 IMWHIQLZTOQPKD-FTGFMQHASA-N 435.465 4.392 10 40 IICB COc1ccc(N2CCN(C(=O)C(=O)c3c(-c4ccccc4)cc4ccccn34)CC2)cc1 408637280 ZKMCAYIGZYQQGQ-UHFFFAOYSA-N 439.515 4.146 10 40 IICB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3cccc(F)c3)C2=O)cc1 408884362 UGEHBVDMUPRFDV-XQNSMLJCSA-N 444.462 4.482 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(Cl)cc1OC 409249021 IELLAYHBPXPKQJ-MDWZMJQESA-N 449.290 4.376 10 40 IICB COCCN(Cc1c(C)cc2oc(=O)c(C)c(C)c2c1O)C[C@H]1CCCN2CCCC[C@H]12 1565519633 FZNBYZGQXNKAJR-IFMALSPDSA-N 442.600 4.137 10 40 IICB biogenic COc1ccc(/C=C2/SC(NNc3nc(-c4ccccc4)cs3)=NC2=O)cc1OC 17221779 UTQSUAZAWYRLIC-WOJGMQOQSA-N 438.534 4.414 10 40 IICB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCSc1ccc(C)cc1 19634151 KZWXITXKHXTOIQ-JWGURIENSA-N 441.528 4.056 10 40 IICB Cc1oc2ccc(O)c(CN3CCN(C)CC3)c2c1C(=O)Nc1cccc(C(F)(F)F)c1 19794016 SBTCWIIEIIEGOT-UHFFFAOYSA-N 447.457 4.465 10 40 IICB COc1ccc(N2CCN(Cn3nc(-c4ccc(Cl)cc4)n(C)c3=S)CC2)cc1 57315256 RPUZVZDPWAEOEF-UHFFFAOYSA-N 429.977 4.060 10 40 IICB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C 222809825 LEDGJEGNZVBURQ-VXKWHMMOSA-N 434.565 4.268 10 40 IICB CC(C)n1c(=O)sc2cc(S(=O)(=O)NCc3ccc(N4CCCCC4)cc3)ccc21 225710233 FNFAPTTWWOLYDI-UHFFFAOYSA-N 445.610 4.113 10 40 IICB COc1ccc(N(C)CCC(=O)N2CC[C@H]3[C@H]2CCCCC(=O)N3Cc2ccccc2)cc1 19713158 YROHDTSPYWMKCP-RPBOFIJWSA-N 449.595 4.094 10 40 IICB O=C(COC(=O)CNC(=O)c1ccccc1F)Nc1ccc(/N=N/c2ccccc2)cc1 20753412 RHUTWOQUMFUPCM-BYYHNAKLSA-N 434.427 4.153 10 40 IICB COc1ccc(CCN2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)SC2=S)cc1 33339068 SKFGWEZSIAOAEX-CPNJWEJPSA-N 445.562 4.165 10 40 IICB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OC(C)C 408877468 WCCQMTNTJUITBL-YBEGLDIGSA-N 444.940 4.357 10 40 IICB CC1CCN(c2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2/C=C2\SC(=N)NC2=O)CC1 16609309 IYJHEEWGTKMVMU-NDENLUEZSA-N 443.573 4.206 10 40 IICB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2O)c1C 223054929 RXTFZIRPGTZPCY-GOTSBHOMSA-N 436.581 4.204 10 40 IICB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3C(=O)c3ccccc3)ccc21 225808298 MXAPHUIFUOSFET-UHFFFAOYSA-N 434.517 4.018 10 40 IICB COc1ccc(C[C@@H]2SC(=S)N(CCc3ccccc3)C2=O)cc1Br 409146392 SPFQWJNQCWLCJG-KRWDZBQOSA-N 436.396 4.472 10 40 IICB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc2c1C(=O)c1ccccc1C2=O 8882489 CSNCRBGPINORBG-UHFFFAOYSA-N 428.484 4.404 10 40 IICB CC(/C=C1\SC(=S)N(CC(=O)Nc2ccccc2[N+](=O)[O-])C1=O)=C\c1ccccc1 16712724 WSGKQVVMELCKIC-UJUKKVGJSA-N 439.518 4.381 10 40 IICB CCOC(=O)c1c(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)sc2c1CC[C@H](C)C2 16839584 YEGNUNXKEDOQEV-SJCJKPOMSA-N 444.578 4.491 10 40 IICB CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)ccc1OC(C)=O 96193331 JXIATGLGFFNKOE-SXGWCWSVSA-N 442.855 4.168 10 40 IICB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)c(OC(C)C)c1 408803732 SUMWEKYLHJZAEP-RQZCQDPDSA-N 428.872 4.111 10 40 IICB COc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2C)C1=O 408892926 APAXAAXYPZGHLV-ZROIWOOFSA-N 449.688 4.086 10 40 IICB Cc1ccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C2=O)cc1 409242403 UQWQVNSEZLXXDT-SRZZPIQSSA-N 429.476 4.224 10 40 IICB COc1ccc(CCN2C(=O)/C(=C/c3ccc(N(C)C)cc3)SC2=S)cc1OC 8821718 BRHXZBQOQYCLKA-ZHZULCJRSA-N 428.579 4.214 10 40 IICB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc3cccc(Cl)c3n2)SC1=S 54360918 LDNSTQMFGXNENZ-GFAPJHNFSA-N 438.983 4.296 10 40 IICB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c(C)n1-c1ccc(Cl)cc1 35200249 DSZTUYKUUNOKKL-QKFKETGDSA-N 427.932 4.431 10 40 IICB COCCCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)C(C(=O)OC)=C1C 9113721 CIILMWMGZOMODV-BKUYFWCQSA-N 442.943 4.457 10 40 IICB CCOc1cccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)c1OCC(=O)O 409216031 HMQLDIFQSJGCCA-MHWRWJLKSA-N 433.482 4.094 10 40 IICB COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)c([N+](=O)[O-])c1 222746328 HQHYHMGGERITLP-SFTDATJTSA-N 437.525 4.008 10 40 IICB Cc1cccnc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1C 260924278 TVTGSJXVLPYDJG-UEVCKROQSA-N 447.608 4.344 10 40 IICB COc1ccc([C@@H](C[N+](=O)[O-])C2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1OC 727439 ZLUBCJZABUFRFM-HXUWFJFHSA-N 431.444 4.081 10 40 IICB CCOC(=O)Cc1ccc(C(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1 13568798 KPIOUJOBWIMPDB-UHFFFAOYSA-N 449.488 4.472 10 40 IICB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1cccc(C)c1 41082615 LWSDVBWAXUTWSB-AYACGFHNSA-N 447.491 4.302 10 40 IICB O=c1[nH]n(C2CCCC2)c2nc3c(oc4c(O)c(O)ccc43)c(-c3ccc(O)c(O)c3)c12 85875771 VQGADYXIBNHADJ-UHFFFAOYSA-N 433.420 4.229 10 40 IICB biogenic O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\Nc1ccccc1C(F)(F)F 106143988 DAITUDVHKKAFSG-NTMALXAHSA-N 443.809 4.242 10 40 IICB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c1C 409391204 HYRWMNGBYAYUEY-LDADJPATSA-N 434.883 4.117 10 40 IICB COc1cccc([C@H](c2ccc3c(ccc4c(C)cc(=O)oc43)c2O)N2CCOCC2)c1 13688620 UZPSXYDGWDBEIS-XMMPIXPASA-N 431.488 4.390 10 40 IICB COc1ccccc1N1CC(=O)N(c2ccc(C)c(C)c2)[C@@H](c2ccc(N(C)C)cc2)C1=O 15412725 WNGBJPWHXDGAJZ-SANMLTNESA-N 443.547 4.499 10 40 IICB Cc1ccc(OCCn2cccc2/C=C2\C(=O)N=C(O)N(c3ccc(F)cc3)C2=O)c(C)c1 17197135 YXURTZQUGKHMLK-RCCKNPSSSA-N 447.466 4.194 10 40 IICB Cc1cccc(C)c1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c1C 107822763 DOBXAZJWIZBBCV-DEDYPNTBSA-N 437.565 4.370 10 40 IICB CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(CC)C(=S)N3C)c2C)cc1 409147742 NNGFUJSPVBMQLO-QNGOZBTKSA-N 439.581 4.471 10 40 IICB CSc1nnc2c(n1)O[C@H](c1ccc(N(C)C)cc1)N(C(C)=O)c1ccc(Cl)cc1-2 684875 SMFIKXKDNWZDFL-HXUWFJFHSA-N 441.944 4.424 10 40 IICB COc1ccc([C@H](c2ccc3c(ccc4c(C)cc(=O)oc43)c2O)N2CCN(C)CC2)cc1 22936638 BVVQKWQUXFVHKM-RUZDIDTESA-N 444.531 4.306 10 40 IICB CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2ccc(C)cc2)SC1=S 256055848 WIKFFFHPYWBPPQ-OWBBTNHHSA-N 426.563 4.283 10 40 IICB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4F)c3C)C(=O)NC2=S)cc1 409020370 OOSAIHICSNFBPY-CPNJWEJPSA-N 449.507 4.073 10 40 IICB Cc1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2)CC1 17135849 LPIVCMYCLCIORP-HHHXNRCGSA-N 442.607 4.354 10 40 IICB COC(=O)C[C@H]1c2cccnc2Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c21 96221062 YRYFETJUZSNNOB-AWEZNQCLSA-N 431.400 4.067 10 40 IICB biogenic Cc1cc(N2CCCC2)c(F)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 107632817 QLQLXXMDWJZMMY-GZTJUZNOSA-N 427.863 4.054 10 40 IICB COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 225838887 ARAAEEOKRSXCFX-CQSZACIVSA-N 433.961 4.011 10 40 IICB CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)cc21 260921097 OIHZGRZEHUOWAA-GOTSBHOMSA-N 435.641 4.247 10 40 IICB COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 408584522 QUGQCKDJCXWLPE-WQRHYEAKSA-N 440.839 4.328 10 40 IICB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1 408851863 AWHYCUISUFJWDV-LDADJPATSA-N 426.259 4.451 10 40 IICB Cc1cc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)c2C)c(C)c1 409234206 NKKQMNZQHAHUNV-CIAFOILYSA-N 428.492 4.081 10 40 IICB CCN(CC)c1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1Br 409242925 PUEMJQRHLSYOSA-QGOAFFKASA-N 428.330 4.388 10 40 IICB O=C(CSc1ncnc2ccccc12)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9580997 JXCVTITUPWBOPA-UHFFFAOYSA-N 425.469 4.136 10 40 IICB O=C(NCc1ccc(N2CCCC2)cc1)c1ccccc1NS(=O)(=O)c1ccccc1 13675025 OKLUXDAHYNUQNF-UHFFFAOYSA-N 435.549 4.018 10 40 IICB COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl 408778157 CCVSMSAUTJGIGJ-WUXMJOGZSA-N 425.655 4.322 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(Br)s3)C2=O)cc1Cl 408984138 IAISDDVLMQIWDZ-XFFZJAGNSA-N 425.691 4.139 10 40 IICB COc1ccc(N2CCN(C(=O)CSc3nc4cc(OC)ccc4cc3C)CC2)cc1 932983 HIYPCDKHPVWHTF-UHFFFAOYSA-N 437.565 4.001 10 40 IICB O=C1/C(=C/c2ccc(O)c(I)c2)SC(=S)N1c1ccccc1 14008769 QLZWVIGFWKRXGD-ZROIWOOFSA-N 439.299 4.403 10 40 IICB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(Cl)cc1 223617210 UXGADNNKHULRFA-VXKWHMMOSA-N 441.000 4.497 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OC 408797088 FVDKMLOWBPIWTG-CXUHLZMHSA-N 428.872 4.031 10 40 IICB COc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OC(F)F 409356356 MSEYMHWSLPCISK-APSNUPSMSA-N 437.445 4.431 10 40 IICB CCc1cc(=O)oc2c(CN3CCCC4=C[C@H]5C[C@H](CN6CCCC[C@H]56)[C@@H]43)c(O)ccc12 1740806211 NUUXJTHTKTWNJE-XOKJFZFGSA-N 434.580 4.456 10 40 IICB O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1 993920 GDGIDPLHJRZNAV-ZHZULCJRSA-N 449.304 4.490 10 40 IICB O=C(NN1C(=O)/C(=C/c2cccnc2)SC1=S)c1ccc(OCc2ccccc2)cc1 9123783 KVBMTSZKODBZKZ-MOSHPQCFSA-N 447.541 4.207 10 40 IICB Cc1cccn2c(=O)cc(CSc3ncc(-c4ccccc4)n3C[C@H]3CCCO3)nc12 21728691 RALWIXLZFJEFRV-HXUWFJFHSA-N 432.549 4.338 10 40 IICB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OC(C)(C)C 33740407 RZVDIHGVCJCEPF-GDNBJRDFSA-N 445.313 4.096 10 40 IICB COc1cc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)ccc1OCC(=O)O 100540802 AZONHSHELNPFGQ-VGOFMYFVSA-N 435.263 4.272 10 40 IICB CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(OC)cc3-n3c(C)ccc3C)CC2=O)cc1 408707371 JMEBEZIBZABKAU-LJQANCHMSA-N 447.535 4.493 10 40 IICB CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)c2C)cc1 408759725 KJPKQGZBECQLGM-HZHRSRAPSA-N 443.503 4.332 10 40 IICB CCOc1ccc(Br)cc1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O 409087170 AYFQRZOENUJWFJ-GRRFOWRYSA-N 428.373 4.228 10 40 IICB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(Br)s2)C(=O)NC1=S 409100896 XEODWZXSXBIRIZ-JXMROGBWSA-N 441.759 4.304 10 40 IICB COc1ccc2c3c(n(Cc4ccc5c(c4)OCO5)c(=O)c2c1OC)-c1ccccc1C3=O 524730997 GDBRVPSHQYFQPM-UHFFFAOYSA-N 441.439 4.007 10 40 IICB biogenic CN(C)c1ccc(/C=C/[C@]23NC(=O)CN2c2ccc(Br)cc2C3(C)C)cc1 2299938 KGZUVUNFFZRBDN-LEQVUBRHSA-N 426.358 4.152 10 40 IICB CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3nnc(C)s3)C2=O)cc1 2976353 MIHINEJWNCWXET-RVDMUPIBSA-N 432.596 4.029 10 40 IICB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)c2C)c1 4107026 CRTKHXFLKOTAHQ-HAHDFKILSA-N 443.503 4.364 10 40 IICB COc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(C(F)(F)F)c3)SC2=S)cc1 9233007 FAUSJEICLMVGGC-XNTDXEJSSA-N 438.452 4.260 10 40 IICB N=C1/C(=C\c2cccc3ccccc23)C(=O)N=C2SC(c3ccc4c(c3)OCO4)=NN12 2194022 SVCYJWYDOLKDKJ-PWSGBSGUSA-N 426.457 4.236 10 40 IICB CN(Cc1cc(O)nc2ccccc12)C(=O)c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1 9348084 PBNJYCSCWIETGR-YBFXNURJSA-N 449.557 4.044 10 40 IICB Cc1ccc(COc2cccc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)c2)cc1 408938436 QOOSORMILYPXRG-PXLXIMEGSA-N 428.513 4.405 10 40 IICB CCN1C(=O)/C(=C\C=C\c2ccccc2[N+](=O)[O-])C(=O)N(c2ccc(Cl)cc2)C1=S 409017928 WKEGWHHRIBUCQU-NQLWTVTNSA-N 441.896 4.368 10 40 IICB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)C1=O 409074783 RNCVAKVNJXKPNO-AGZSBTIMSA-N 448.928 4.354 10 40 IICB COc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](CCSC)C(=O)O)C3=O)o2)cc1 13073874 FYNGJVBBJCJCFI-QJISPJEISA-N 449.575 4.363 10 40 IICB CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)o2)ccc1Cl 13602607 NLGNIMHYCSWSIB-AQTBWJFISA-N 436.851 4.238 10 40 IICB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccn1-c1ccc(F)cc1 15012637 RNZDGABZLXWWHG-PDGQHHTCSA-N 425.872 4.101 10 40 IICB Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1Cc1ccccc1 15013131 YRIAWNBIEFFIPL-BKUYFWCQSA-N 433.508 4.124 10 40 IICB CN(C)c1ccc([C@@H]2NC[C@@H](CSc3nnc(Nc4ccccc4F)s3)O2)cc1 58982942 XQBTUJHSMBRAFY-MAUKXSAKSA-N 431.562 4.266 10 40 IICB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccccc2F)c1 408936941 LLTCWBXUBGBTQZ-XSFVSMFZSA-N 432.476 4.236 10 40 IICB Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3F)C(=O)NC2=S)c1C 409130900 OEKMUVUNGBGLQF-CPNJWEJPSA-N 437.540 4.264 10 40 IICB COc1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)c([N+](=O)[O-])cc1OC 3366456 BKWAPGJUIIRMET-UHFFFAOYSA-N 438.436 4.059 10 40 IICB Cc1ccccc1OCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc21 5098712 IAIFWMWIKBLFOB-VWLOTQADSA-N 429.564 4.360 10 40 IICB Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 13802031 GOABSKCSCXLUFF-ODLFYWEKSA-N 440.546 4.344 10 40 IICB COc1ccccc1-c1c(C(F)(F)F)oc2c(CN3CCCOC3)c(O)ccc2c1=O 95092839 IGISIVYRGNMSPU-UHFFFAOYSA-N 435.398 4.373 10 40 IICB CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(Br)s3)C(=O)NC2=S)cc1 409237974 JQBGPCKFPXGMMP-NTEUORMPSA-N 435.368 4.465 10 40 IICB O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(N2CCCCC2)o1 409247822 ODGLALNBOLRNKL-FOWTUZBSSA-N 449.454 4.120 10 40 IICB COc1ccccc1N1C(=O)C(=Cc2ccsc2)C(=O)N(c2ccccc2OC)C1=O 2532786 PPQTWMFHEFMFJP-UHFFFAOYSA-N 434.473 4.349 10 40 IICB Cc1cc(C(=O)CSc2nnc(-c3ccco3)n2C)c(C)n1-c1ccc2c(c1)OCO2 10035518 PFZBZMKWXVCMEH-UHFFFAOYSA-N 436.493 4.186 10 40 IICB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1ccccc1C 41082588 BGEFEPNUCZFUAP-CLYJROEGSA-N 447.491 4.302 10 40 IICB Cc1cccnc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C 223233734 KKTWTYZQAFVIAK-PKTZIBPZSA-N 448.640 4.117 10 40 IICB CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2cccc(C)c2)SC1=S 256055515 JMTPVDXMGNKKJU-OWBBTNHHSA-N 426.563 4.283 10 40 IICB COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccccc3OC(C)C)SC2=S)cc1 409345882 MOQAZPZQFFPDQI-PDGQHHTCSA-N 428.535 4.029 10 40 IICB CCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(c1cc(OC)c(OC)c(OC)c1)C3 9430038 ANRUBXWZPBHCKZ-UHFFFAOYSA-N 431.872 4.391 10 40 IICB O=C1N=C(O)N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 33321668 VIYHSDMFNMTDHD-LFIBNONCSA-N 437.795 4.379 10 40 IICB CC(C)n1[nH]c(=O)c2c(-c3ccc([N+](=O)[O-])s3)c3oc4c(O)c(O)ccc4c3nc21 95472178 CJXGBAZZROOODE-UHFFFAOYSA-N 426.410 4.253 10 40 IICB O=C(O)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Br)c1)N2 103020626 ITDQRMWGFUPFSL-WWMYMODYSA-N 441.325 4.480 10 40 IICB CCN1C(=O)C(=Cc2cn(Cc3cccc(F)c3)c3ccccc23)C(=O)N(CC)C1=S 637614 XIDAXSXFDWLIJM-UHFFFAOYSA-N 435.524 4.208 10 40 IICB O=C(NN1C(=O)/C(=C/c2ccccn2)SC1=S)c1ccc(OCc2ccccc2)cc1 8870258 OZCXTBFHYOSLPW-ZHZULCJRSA-N 447.541 4.207 10 40 IICB CCc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C3=O)o2)cc1 12414299 QLZUQKHPLKDSDM-QJISPJEISA-N 445.518 4.028 10 40 IICB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 108174392 SGGMDRUGMFHJTB-MHWRWJLKSA-N 430.338 4.220 10 40 IICB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(F)cc3)C2=O)c1 408817176 ZWAITESQQJIJCH-KGENOOAVSA-N 430.435 4.380 10 40 IICB CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 409349153 VDTKRPGKCUXIMF-MFOYZWKCSA-N 448.953 4.245 10 40 IICB O=C(NN1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S)c1ccccc1 9232758 CRCBRHDROGDGIK-NTEUORMPSA-N 437.315 4.134 10 40 IICB CCN(CC)c1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2ccccc2)cc1 9288898 GBZDIUIREOILCW-UHFFFAOYSA-N 426.524 4.487 10 40 IICB Cc1cccc(Oc2c(C(F)(F)F)oc3c(CN4CCOCC4)c(O)ccc3c2=O)c1 19791777 UTWDWKUYOWZVPZ-UHFFFAOYSA-N 435.398 4.450 10 40 IICB COc1ccc(N2CCN([C@@H](CNC(=O)c3cccc(Cl)c3)c3ccco3)CC2)cc1 56946158 YZALBTXKHYOKKC-QFIPXVFZSA-N 439.943 4.235 10 40 IICB Cc1cc(/C=C2\SC(=S)N(C)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 409132920 YNEGWJBYOQQBBK-ODLFYWEKSA-N 442.566 4.434 10 40 IICB CC[C@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cccc1OC 409137709 YLNFUBQVFQGADO-VUODPORTSA-N 438.549 4.321 10 40 IICB O=C(NN1C(=O)/C(=C\c2cccs2)SC1=S)c1ccc(Br)cc1 969616 VSOUFLOOPDNVOV-XYOKQWHBSA-N 425.354 4.057 10 40 IICB Cc1ccc(S(=O)(=O)Nc2cc(Sc3ncn[nH]3)c(O)c3ccccc23)c(C)c1 2685333 UFXHPIGLSASDKB-UHFFFAOYSA-N 426.523 4.232 10 40 IICB Cc1cc(-c2nc3cnccn3c2NC[C@@H]2CCCO2)c(C)n1-c1ccc2c(c1)OCO2 72341988 ATMHBWFZUGMNHS-SFHVURJKSA-N 431.496 4.123 10 40 IICB CCOc1ccc(Br)cc1C[C@H]1SC(=S)N(Cc2ccco2)C1=O 409143394 DXADSVKVZUYVLF-OAHLLOKOSA-N 426.357 4.412 10 40 IICB CCc1cc(=O)oc2c(CN3CCCC4=C[C@H]5C[C@H](CN6CCCC[C@@H]56)[C@@H]43)c(O)ccc12 1740806205 NUUXJTHTKTWNJE-XBLPNDSKSA-N 434.580 4.456 10 40 IICB O=C1NC(=S)N=C(O)/C1=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 2594515 HBAOKWBRQDXTMH-UHFFFAOYSA-N 425.268 4.466 10 40 IICB CN1CCCc2cc([C@H](CNC(=O)c3ccc4ccccc4c3)N3CCOCC3)ccc21 13008358 BIVAUHQYASWDJL-SANMLTNESA-N 429.564 4.026 10 40 IICB CCN(CC)S(=O)(=O)c1ccc(N/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1 100191733 OXPHCRNBOYHDLR-XSFVSMFZSA-N 446.960 4.089 10 40 IICB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C 222810363 ATSDXJDIADKRQI-VXKWHMMOSA-N 434.565 4.268 10 40 IICB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)C1=O 409100385 MZQVSOLXUFSMIB-RVZJCZPVSA-N 435.505 4.240 10 40 IICB N=C1/C(=C/c2ccccc2OCc2ccccc2)C(=O)N=C2SC(C(F)(F)F)=NN12 1828073 YQGBREQHKUSBEC-ZTOJTDSYSA-N 430.411 4.447 10 40 IICB O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccccc1Br 1847390 JREOHDARBSNHKK-JYRVWZFOSA-N 439.381 4.351 10 40 IICB CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(C(C)C)C1=O 2398085 DWFMNVOPWBFCIY-ATVHPVEESA-N 444.626 4.239 10 40 IICB CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2OCCOc2ccccc2)SC1=S 13940571 YRGPCTXCPBZJFZ-QGOAFFKASA-N 430.507 4.274 10 40 IICB CCCN1C(=O)/C(=C/c2c(N(CCC)CCC)nc3c(C)cccn3c2=O)SC1=S 9345283 DXHZYFKQDDWUJN-VKAVYKQESA-N 444.626 4.241 10 40 IICB CC(C)N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)SC1=S 408578302 XIMSCZCIJFXBJA-WQRHYEAKSA-N 430.526 4.453 10 40 IICB COc1ccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(OC)cc2)cc1 408759314 CBQUWSITKLWGTI-PXLXIMEGSA-N 429.432 4.447 10 40 IICB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1Br 408805612 HGXRQWPSNQQBIV-XNTDXEJSSA-N 443.297 4.131 10 40 IICB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3ccccc3F)C2=O)cc1 408881457 MILJTUFNPKOPIU-CJLVFECKSA-N 444.462 4.482 10 40 IICB Cn1cccc1/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O 408947777 DDPGVSSRCUQCON-WSDLNYQXSA-N 429.520 4.159 10 40 IICB COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O 409328446 VMVQEUIAFXGBCX-MFOYZWKCSA-N 432.479 4.026 10 40 IICB Cc1cccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c1 8765582 GLTTWTUXZYAERI-UNOMPAQXSA-N 440.546 4.344 10 40 IICB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C 408819140 ZSDWVLAYJQNGGW-LPYMAVHISA-N 443.459 4.297 10 40 IICB CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(F)c4)o3)C(=O)NC2=S)cc1 409013402 UVLQWHJRKSJONG-CPNJWEJPSA-N 436.464 4.316 10 40 IICB Cn1c(=O)n(C)c2cc(/C=C3\SC(=S)N(c4cccc5ccccc45)C3=O)ccc21 409332335 QFCOQJVZOSIUMY-MOSHPQCFSA-N 431.542 4.436 10 40 IICB CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc1OCC 409343578 HKZFMVLWWLYTCH-LFIBNONCSA-N 434.564 4.092 10 40 IICB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc2c(c1)CCCN2Cc1ccccc1 9009744 YPCXQYSJFAIFCG-HAVVHWLPSA-N 443.547 4.434 10 40 IICB Cc1cc(/C=C2\SC(N3CCOCC3)=NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1 9127166 TTWJFBUJJRJZQI-WQRHYEAKSA-N 435.471 4.415 10 40 IICB CCC(=O)c1cc2c(cc1/N=[N+](\[O-])c1cc3c(cc1C(=O)CC)OCCO3)OCCO2 12418389 ZADIJKHRGUXMKB-VHXPQNKSSA-N 426.425 4.340 10 40 IICB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1cccc(C)c1 59194156 KKAXHKQDYFKNFH-QNGOZBTKSA-N 442.471 4.074 10 40 IICB Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1NS(C)(=O)=O 218587910 OVFRATNFRMPIQV-AEFFLSMTSA-N 429.586 4.094 10 40 IICB Cc1cccnc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C 223315808 TVTGSJXVLPYDJG-AJSBUHFISA-N 447.608 4.344 10 40 IICB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O 408790361 QSCJJLVTCBUUAP-NTCAYCPXSA-N 444.472 4.282 10 40 IICB Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1cccc(I)c1 408810076 IHCHMECKNYQWQG-NVNXTCNLSA-N 438.290 4.365 10 40 IICB COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2C)C1=O 409124158 JIHFKMVTQREITF-XSFVSMFZSA-N 449.576 4.134 10 40 IICB COc1ccc(N2CCN(C(=O)C34C[C@@H]5C[C@@H](CC(Br)(C5)C3)C4)CC2)cc1 18099746 LTXDFTNTWDHMQR-RGMRCXJASA-N 433.390 4.078 10 40 IICB Cc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)cc1 41076715 CWFXMHLRBLISNW-FTNSYOLJSA-N 441.516 4.484 10 40 IICB CC(C)n1[nH]c(=O)c2c(-c3cc4ccccc4[nH]c3=O)c3oc4c(O)c(O)ccc4c3nc21 85878719 LSFDVZYSUDDWHL-UHFFFAOYSA-N 442.431 4.125 10 40 IICB biogenic Nc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)cc1 3104103 KGDFWIVZJYPVKI-UHFFFAOYSA-N 425.901 4.410 10 40 IICB Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)cc2)c1 9260035 XKSYKLLLQQONBR-HYARGMPZSA-N 430.435 4.380 10 40 IICB CC(=O)[C@@H](/N=N/c1cccc2c1C(=O)c1ccccc1C2=O)C(=O)Nc1ccccc1C 104096271 WSEHVOSANAVVGR-RBGJJZJSSA-N 425.444 4.450 10 40 IICB Cc1ccnc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)c1 223233548 REOBKNNGZHIFTL-BJKOFHAPSA-N 448.640 4.117 10 40 IICB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OCc1ccccc1 408901999 DKIAVRGXHNWZGW-DEDYPNTBSA-N 446.434 4.080 10 40 IICB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 408903773 YVFXJQYVFOUXAS-HTMJNSLASA-N 443.297 4.293 10 40 IICB O=C(O)CN1C(=O)/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)SC1=S 409209095 FRJUSCCAZIPOFP-XDHOZWIPSA-N 438.530 4.006 10 40 IICB COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1ccc(OC)cc1OC 409367416 XRUFTSVMFXWRGU-ODLFYWEKSA-N 425.506 4.303 10 40 IICB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)o1 409394238 XLPDWFJFUDZCBW-LFIBNONCSA-N 425.853 4.146 10 40 IICB O=C(O)CCN1C(=O)/C(=C\c2ccc(-c3ccccc3Br)o2)SC1=S 13343442 GNWFYBKIAHJCMZ-NTEUORMPSA-N 438.324 4.385 10 40 IICB COc1ccc(C)cc1Nc1nnc(SCC(=O)NCc2ccc(N(C)C)cc2)s1 18277310 IQUXZOZGSMXTKV-UHFFFAOYSA-N 443.598 4.073 10 40 IICB Cc1cccc(OCCn2cc(/C=C3\C(=O)NN(c4ccccc4)C3=O)c3ccccc32)c1 32109519 UXMRWHLSJAVYFB-JJIBRWJFSA-N 437.499 4.490 10 40 IICB CCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)SC1=S 38203162 LMKUVFXNCIMYHQ-GZTJUZNOSA-N 444.490 4.044 10 40 IICB COc1ccc(N2CCN(C(=O)CSCc3cccc(Br)c3)CC2)cc1 39569448 YFJJWLPGAVABOT-UHFFFAOYSA-N 435.387 4.040 10 40 IICB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(F)c(Cl)c4)o3)C2=O)cc1 408604133 SURDTMBNXOTVGX-LFIBNONCSA-N 440.814 4.414 10 40 IICB O=C1/C(=C\c2cc(Br)c(O)c([N+](=O)[O-])c2)SC(=S)N1c1ccccc1 408903004 UCOMGYQSOKBBPS-MDWZMJQESA-N 437.296 4.469 10 40 IICB O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(Br)cc1 1069877 GGOAEKREPFNFQG-RIYZIHGNSA-N 439.187 4.134 10 40 IICB CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(OC)c4)c3C)C(=O)N=C2S1 34829064 DTBZCKUJXNMTMD-GLNJVZSPSA-N 439.566 4.433 10 40 IICB Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=N)N4N=C(N5CCCC5)SC4=NC3=O)c2C)c1 41085176 UZKANGKYCYACJP-GDJNFKMVSA-N 446.580 4.383 10 40 IICB Cc1c(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cccc1N(C)S(C)(=O)=O 222442465 USWBKDFXRAHPSD-IBGZPJMESA-N 443.613 4.118 10 40 IICB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1Cl 223576675 SSLCJOUKSNSFOC-RTWAWAEBSA-N 426.973 4.107 10 40 IICB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2)c1C 223649789 JVPLAJMZSPQOGR-GOTSBHOMSA-N 434.565 4.025 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(Cl)cc1OC 408900808 VFTKVQZAAZIGFT-CXUHLZMHSA-N 428.872 4.031 10 40 IICB CCOC(=O)COc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1OC 8722499 WJYUWCPIOWPZCW-XDHOZWIPSA-N 443.546 4.039 10 40 IICB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccccc3CC)C2=O)cc1 8819089 YGIVCZAAOBADMP-CPNJWEJPSA-N 426.563 4.488 10 40 IICB O=C(CSc1ncc(-c2ccc(F)cc2)n1Cc1ccccc1)NC[C@H]1CCCO1 9254677 GBVRWAJVOOMQSV-HXUWFJFHSA-N 425.529 4.125 10 40 IICB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)N(C)C(=O)N(c3ccccc3)C2=O)o1 59138868 NLECJNRAPKMNMA-UYRXBGFRSA-N 431.404 4.172 10 40 IICB O=C1/C(=C\c2ccc(O)c(Cl)c2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2 110422728 YULVAAILGGPQRM-REZTVBANSA-N 448.997 4.494 10 40 IICB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1cccc2ccccc12 409229062 JEZYLIJLXBYQIJ-HYARGMPZSA-N 436.471 4.309 10 40 IICB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccccn1 409244483 DGUPMMFDZDAGAT-KGENOOAVSA-N 444.560 4.444 10 40 IICB CCOc1ccc(-n2c(C)cc(/C=C3/SC(=O)N([C@H](C)C(=O)OC)C3=O)c2C)cc1 982540 MGARAMHNXJNNDO-IYSPOMMRSA-N 428.510 4.091 10 40 IICB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccccc1Br 8820259 SBMUCOFLTBUKBU-GXDHUFHOSA-N 437.340 4.272 10 40 IICB CN(C)c1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)N(C)C)cc1 32593802 LKGVKTUQXQMOJD-XMMPIXPASA-N 432.568 4.319 10 40 IICB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(C(=O)O)o1 102548265 TWEXPJSKXDQMNH-UNOMPAQXSA-N 432.432 4.372 10 40 IICB Cc1ccccc1N1O[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]1c1ccc(N(C)C)cc1 102865270 OWNXZFIABYXDMT-SGNDLWITSA-N 445.494 4.251 10 40 IICB COc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)cc1 1197806 OERXBCCROVVZJG-QGOAFFKASA-N 428.535 4.021 10 40 IICB CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1nnc(C)s1 11270461 WVUGJZSFXHPJCB-UHFFFAOYSA-N 438.376 4.223 10 40 IICB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC 408807567 DDLNIKSKMCGOBW-MHWRWJLKSA-N 428.872 4.112 10 40 IICB COCCCN1C(=O)/C(=C\c2cc(C)n(-c3c(C)cccc3C)c2C)C(C(=O)OC)=C1C 2099212 LTOCBFOAYABTNW-JCMHNJIXSA-N 436.552 4.420 10 40 IICB CN(C)c1ccc(/C=C2\SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc1 12654185 JKBBJCCRWAEVGM-ZHZULCJRSA-N 426.973 4.199 10 40 IICB CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)c2c1 408774454 LLGLJHWHJSCWNU-RCCKNPSSSA-N 430.460 4.304 10 40 IICB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCCCC3)cc2C)C1=O 409236209 RZDDEGQIYHTIFZ-XQNSMLJCSA-N 446.551 4.079 10 40 IICB CCOc1cccc(/C=C2\C(=O)N(c3cccc(SC)c3)C(C)=C2C(=O)OC)c1O 409378530 PQYKOLIIGNJXRA-PDGQHHTCSA-N 425.506 4.390 10 40 IICB O=C(O)CN1C(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)SC1=S 2990944 QQLNOBPXLXWNPV-NVMNQCDNSA-N 426.494 4.115 10 40 IICB Cc1cc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c(C)n1-c1ccccc1F 12632639 QHIHVFNXDHSTMX-NRFANRHFSA-N 427.545 4.098 10 40 IICB COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1cccc(F)c1 13897913 XWMZUBFJXUDDHJ-MFOYZWKCSA-N 434.876 4.173 10 40 IICB O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1cccc(C(=O)O)c1 2228704 XOURRFJGUCGWGM-LFIBNONCSA-N 446.937 4.268 10 40 IICB CCN(CC)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)O)C3=O)c2C)cc1 409127256 CTBKDHKNHNJWKO-XDHOZWIPSA-N 427.526 4.061 10 40 IICB CCN1C(=O)/C(=C/c2c(Sc3ccccc3)nc3ccc(C)cn3c2=O)SC1=S 1103610 BYKFWOOVYVIDMJ-WJDWOHSUSA-N 439.587 4.375 10 40 IICB O=C(NN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)c1cccs1 1412527 GUHDVOMISXYDKK-XYOKQWHBSA-N 425.354 4.057 10 40 IICB COc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)c1C 9293470 UYOMLOSTJBWXIH-XYSCVJGBSA-N 445.504 4.363 10 40 IICB COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(OC)c1OC(C)=O 33409109 UDNTWTOSTVIYAP-MFOYZWKCSA-N 433.482 4.174 10 40 IICB N=C1/C(=C/c2ccc3c(c2)OCO3)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN12 33457578 HYENIRSLCSHJEO-XXKNURTGSA-N 434.521 4.251 10 40 IICB CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102707928 XNHDMZWCNVWVKI-YTFSRNRJSA-N 447.922 4.457 10 40 IICB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)C2=O)cc1 208198344 XNPTUJRMXISKMP-OOWUWCJESA-N 433.508 4.084 10 40 IICB COC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1C 260843428 RTCRSNFIYPNGFN-FUHWJXTLSA-N 430.570 4.057 10 40 IICB Cc1ccc2ccccc2c1COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Cl 408871319 ZDMAGCJMFWLUQN-UHFFFAOYSA-N 436.920 4.295 10 40 IICB CCOC(=O)C1CCN(C(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)CC1 58007009 MMUSKTINIBNQRN-UHFFFAOYSA-N 433.346 4.272 10 40 IICB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1ccc(C)cc1 59194154 FYCJYJIIIFMABT-QNGOZBTKSA-N 442.471 4.074 10 40 IICB CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCC(=O)O 210457362 ZLAZUYIZUPNRDN-MFOYZWKCSA-N 433.482 4.094 10 40 IICB COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)c1 223269752 NUAPSWJNEVCAED-BJKOFHAPSA-N 449.624 4.032 10 40 IICB CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Br)c2)C1=O 409103521 ADIQETOVRMMPFW-OQLLNIDSSA-N 449.688 4.168 10 40 IICB CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2C)C1=O 8895159 CYSBTHQHPBSYCG-FOWTUZBSSA-N 443.297 4.213 10 40 IICB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccccc1 223742181 WKHKCXLETIJYSG-XZOQPEGZSA-N 434.565 4.106 10 40 IICB CCCc1nc(S/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C(=O)O)n[nH]1 408632154 OCPQJHPUPUXSKQ-BOPFTXTBSA-N 427.486 4.291 10 40 IICB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 408903774 YVFXJQYVFOUXAS-RNEAKCBISA-N 443.297 4.293 10 40 IICB O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc2nccnc2c1 9051478 YSKQXAFZJRKUPE-MFOYZWKCSA-N 440.937 4.123 10 40 IICB CC[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O 223950461 HEJXFXZXLCDJDC-QFIPXVFZSA-N 445.629 4.011 10 40 IICB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccccc1 409399202 GKZXJKXCAFAIKD-ZHZULCJRSA-N 449.304 4.490 10 40 IICB CCCCN1C(=O)/C(=C/c2c(N(CCC)CCC)nc3ccccn3c2=O)SC1=S 2368410 DKFZRSRQVNWBNZ-ICFOKQHNSA-N 444.626 4.322 10 40 IICB CC[C@@H](C)c1ccc(OCCn2c(C)c(C=C3C(=O)NC(=O)NC3=O)c3ccccc32)cc1 9246776 VWZKGHARBWRKOV-MRXNPFEDSA-N 445.519 4.292 10 40 IICB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 69435918 CMMXOCOVGNSAKH-DQEYMECFSA-N 438.568 4.132 10 40 IICB Oc1ccccc1CN(C[C@H]1CCCO1)c1cc(C(F)(F)F)nc(-c2cccnc2)n1 95446143 ZWWKLMGERZIEPU-QGZVFWFLSA-N 430.430 4.449 10 40 IICB CCC1=Nc2c(nnn2Cc2ccccc2Cl)/C(=C2/C(=O)N(c3ccccc3)N=C2C)N1 100469990 LQHPUAOTBCORLP-VXPUYCOJSA-N 445.914 4.157 10 40 IICB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OC 408800217 NVZABRQLYUWJKZ-GZTJUZNOSA-N 442.899 4.366 10 40 IICB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccccc4)c3)C2=O)cc1 408937830 PFANETNAHKKUFD-KQWNVCNZSA-N 426.472 4.494 10 40 IICB CN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)NC1=S 409143929 WXZDQQFKLPUULS-DHDCSXOGSA-N 444.343 4.253 10 40 IICB CCCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc1 3769640 OQCWSRBXJWOSEO-QGOAFFKASA-N 428.535 4.030 10 40 IICB CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)cc1 9444405 OPWGAXRLWLJCDD-GHRIWEEISA-N 444.534 4.076 10 40 IICB COc1ccc([C@@H](c2ccc3c(ccc4c(C)cc(=O)oc43)c2O)N2CCOCC2)cc1 20650281 XUTKTGHCVGGBNI-DEOSSOPVSA-N 431.488 4.390 10 40 IICB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCCC1 408536756 XTRXQRYPQNHADV-LGMDPLHJSA-N 430.512 4.204 10 40 IICB COc1cccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)c1OCC(=O)O 409331588 OOJKWNDWZPPGOZ-LICLKQGHSA-N 429.519 4.181 10 40 IICB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)ccc1OC(C)=O 409343284 DKDIGKWCWISUJF-XDHOZWIPSA-N 429.519 4.425 10 40 IICB CCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)o2)ccc1Cl 830577 NLGNIMHYCSWSIB-QGOAFFKASA-N 436.851 4.238 10 40 IICB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c(C)n1-c1ccccc1 3347732 FAMGFVVNTLXTDW-AREMUKBSSA-N 427.504 4.060 10 40 IICB Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2)C1=O 9260409 GVESNCJOGOHISN-XDHOZWIPSA-N 425.941 4.080 10 40 IICB O=C(O)CCCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)s2)SC1=S 23042688 DJZZEVTXQIENJY-XNTDXEJSSA-N 434.520 4.389 10 40 IICB COc1ccccc1[C@@H]1CC(=O)Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c21 96115966 DFEUHEKRQHBFFD-AWEZNQCLSA-N 446.411 4.026 10 40 IICB biogenic CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC 113837253 ZBAFFTXDGJPCKP-LDADJPATSA-N 429.519 4.043 10 40 IICB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(Cl)c2)cc1 408817432 VYHHISGUGHIYST-FYJGNVAPSA-N 448.862 4.291 10 40 IICB O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1C(=O)c1cccc([N+](=O)[O-])c1 16399778 FESUJVSJRMGSNQ-RIYZIHGNSA-N 449.307 4.399 10 40 IICB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 408890955 IYLFRMMIYLZCIW-UHFFFAOYSA-N 441.723 4.140 10 40 IICB Cc1ccc(C2=N/C(=C\c3ccc(N(C)C)cc3)C(=O)O2)cc1I 8443288 KLMWEVZGIKFYFH-YVLHZVERSA-N 432.261 4.010 10 40 IICB COC(=O)[C@@H](C)N1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)SC1=S 27563208 OMVRTSWSEVCNQD-RVZJCZPVSA-N 436.558 4.452 10 40 IICB CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)NCc2ccco2)cc1 35827664 FYROFDDOQGUHHL-ARMFNRFLSA-N 439.600 4.110 10 40 IICB COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(OC)cc1 59959296 GZEVEIYDDOOXFH-WQRHYEAKSA-N 428.282 4.335 10 40 IICB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2ccc(C(N)=O)cc2)o1 101651778 VILCYENATODQJO-BOPFTXTBSA-N 449.850 4.203 10 40 IICB CC(=O)N1CCCCCCCN(Cc2cccnc2)Cc2cc(N3CCOCC3)ccc21 643563525 YZWCVBJKUKZLOR-UHFFFAOYSA-N 436.600 4.237 10 40 IICB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)c(C)c1 21755244 GXMRPBMRRJIBMJ-VWLOTQADSA-N 449.620 4.452 10 40 IICB COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S 1238548 XEJQTQIOGVWQCY-YVLHZVERSA-N 433.938 4.293 10 40 IICB COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 14413778 GMCPCNUPZVNZIO-DHDCSXOGSA-N 431.847 4.374 10 40 IICB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NCCCOC(C)C)cc1 17094441 XLFYCSGOEQCPFI-XLNRJJMWSA-N 425.504 4.264 10 40 IICB CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3ON2c2ccccc2)cc1 18155177 PHMDQFHXSRWGJF-VABKMULXSA-N 447.922 4.457 10 40 IICB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1ccccc1 223223392 REQKMLVTPIFLJT-ZEQRLZLVSA-N 433.625 4.413 10 40 IICB CC[C@@H](C)OC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc2c1CCCC2 225775235 ZRTARTCKEOUQGK-ZVPUSRDESA-N 431.554 4.434 10 40 IICB COc1ccc(N2CCN(c3ccc(OC)cc3)C2c2c(O)cc(OC)cc2OC)cc1 1717326 JZYWVRWQEGYUEI-UHFFFAOYSA-N 436.508 4.452 10 40 IICB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cn(Cc2ccccc2F)c2ccccc12 9075808 MHJQONPUSBSNCY-STZFKDTASA-N 439.446 4.495 10 40 IICB O=C1c2ccccc2C(=O)c2c1ccc(C(=O)OCc1nc3ccccc3s1)c2[N+](=O)[O-] 9512821 IRPNDNQCCNJQPX-UHFFFAOYSA-N 444.424 4.337 10 40 IICB CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(F)cc1Br 32927788 PAKREGGYIBEQSG-UHFFFAOYSA-N 441.366 4.399 10 40 IICB COc1ccc2c(/C=C3\SC(=S)N([C@H](Cc4ccccc4)C(=O)O)C3=O)c[nH]c2c1 51330863 BECPYPHDBTVBQG-HSNFWNHWSA-N 438.530 4.074 10 40 IICB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 58865871 FEJUVXBGRNIIRE-UHFFFAOYSA-N 448.225 4.371 10 40 IICB CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(OCC)c1 408985682 XORDDIYCBFLLNQ-YVLHZVERSA-N 428.872 4.112 10 40 IICB O=C(O)c1cc2ccccc2c(/N=N/c2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1O 4972339 ROLANBQXOIOZEH-OCOZRVBESA-N 449.448 4.250 10 40 IICB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4ccccc4C(=O)O)o3)C(=O)NC2=S)c1 9323229 JKFWNYPDDJLBLQ-LDADJPATSA-N 446.484 4.093 10 40 IICB O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1ccccc1Br 13547692 OXIVEDWVKDHTBU-RGEXLXHISA-N 442.382 4.237 10 40 IICB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cccn1Cc1ccc(Cl)cc1Cl 13687465 CUJQUXGKFAFTPQ-YVLHZVERSA-N 444.274 4.098 10 40 IICB COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 14414436 OXOHIBGTJGOCTK-WQRHYEAKSA-N 442.855 4.130 10 40 IICB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 95470938 CKSZNJUSAOXIBT-UYRXBGFRSA-N 446.960 4.135 10 40 IICB Cc1ccc(-n2nc(C)c(/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)cc1C 408757987 TVXHTMKJBSXZRW-MTJSOVHGSA-N 448.910 4.426 10 40 IICB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2)C1=O)Nc1ccccc1F 408961027 PXPMCPWWGGTVRK-ZHZULCJRSA-N 439.512 4.491 10 40 IICB Cc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c1C 9293279 MNZJHZKSMOLEKQ-KHCNQNERSA-N 440.532 4.465 10 40 IICB COC(=O)COc1c(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cccc1OC 408526329 AUXFAJTUFWJPJL-YBEGLDIGSA-N 449.937 4.306 10 40 IICB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(F)c4)C3=O)c2C)cc1 409023189 ULXOEQWBEBQFLT-CIAFOILYSA-N 449.507 4.073 10 40 IICB CC(=O)NC1=NC(=O)/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)S1 409027015 PYHFVZFXLLTGRP-MTJSOVHGSA-N 447.472 4.433 10 40 IICB CCCCCN1C(=O)[C@@H](C(=O)OCC)[C@@H](c2ccc(N(C)C)cc2)n2c1nc1ccccc12 20675722 NTOZGQXVYHFZHR-XZOQPEGZSA-N 448.567 4.408 10 40 IICB COc1ccccc1N1C(=O)/C(=C/c2ccc(SCCO)c([N+](=O)[O-])c2)SC1=S 32124918 VLRIDPZCEORBEY-BOPFTXTBSA-N 448.547 4.094 10 40 IICB COc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1 35349241 HDKLEJAJJFLNGJ-AREMUKBSSA-N 429.564 4.291 10 40 IICB COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1c(O)ccc2ccccc12 409056297 CIVSOZAHYBNZNK-ZHZULCJRSA-N 445.471 4.440 10 40 IICB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)C1=O 409100391 MZQVSOLXUFSMIB-SLDJAQPHSA-N 435.505 4.240 10 40 IICB Cc1ccc2nc(NCC(C)C)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 2256185 NUAJXFAGSVMBAJ-YVLHZVERSA-N 442.610 4.215 10 40 IICB CCN(Cc1ccccc1)C(=O)CCN1C(=O)/C(=C/c2ccccc2OC)SC1=S 8819350 VXVZOCWGBRBFBP-HKWRFOASSA-N 440.590 4.335 10 40 IICB O=C1C[C@@H](c2ccc(C(=O)O)cc2)c2c(c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)O1 96114596 LPCLDRMAASOYKL-HNNXBMFYSA-N 444.395 4.010 10 40 IICB biogenic CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3CCO)cc21 260925519 UYGMVXZOQAFYJN-SFTDATJTSA-N 443.016 4.332 10 40 IICB O=C(/C=C/c1ccc(Cl)cc1)Oc1ccccc1/C=C1\C(=O)NN(c2ccccc2)C1=O 409409947 SBSMNYQGDQJKND-DVKSIGJHSA-N 444.874 4.420 10 40 IICB COc1ccccc1N1C(=O)C(=Cc2cccs2)C(=O)N(c2ccccc2OC)C1=O 2391976 JKHYIOIQNBBAIT-UHFFFAOYSA-N 434.473 4.349 10 40 IICB CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(N(CC)CC)cc1 40484578 JECBTJAMEOBWGI-HSZRJFAPSA-N 446.555 4.451 10 40 IICB Cc1cc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1NS(C)(=O)=O 218597106 HISCTDUFCBZFPD-GOSISDBHSA-N 429.586 4.094 10 40 IICB COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C)c2C)c([N+](=O)[O-])c1 222746136 HQHYHMGGERITLP-NHCUHLMSSA-N 437.525 4.008 10 40 IICB Cc1ccc(-n2nc(C)c(/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)c(C)c1 408756909 KEUAYQNTGJNEQZ-NDENLUEZSA-N 448.910 4.426 10 40 IICB Cc1ccccc1N1C(=O)[C@@H]([C@H]2SC(=S)N(c3ccccc3C)C2=O)SC1=S 8828439 LVLXOARAYDIRQC-HZPDHXFCSA-N 444.628 4.470 10 40 IICB O=C(c1ccccc1)c1cc(Cl)ccc1NCC(=O)N1CCN(c2ccccc2)CC1 9127379 SLPMAYYLLKQEEH-UHFFFAOYSA-N 433.939 4.332 10 40 IICB COc1ccc(N2CCN(c3nc(C)c4c(n3)C[C@H](c3ccc(F)cc3)CC4=O)CC2)cc1 9189993 ZJMYLMLWZOXKKY-IBGZPJMESA-N 446.526 4.172 10 40 IICB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C)C3=O)c(N[C@H](C)c3ccccc3)nc12 16732721 ZMLFJDIBEMEMGQ-MTOJCTJASA-N 436.562 4.007 10 40 IICB CC1=CC2=NC(=O)/C(=C/c3cn(CCOc4ccccc4C)c4ccccc34)C(=N)N2O1 41078267 CHXAUDRYORUSKR-AYACGFHNSA-N 426.476 4.479 10 40 IICB O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1N1C(=O)[C@@H]2CCCC[C@H]2C1=O 96190167 FBHINWQNCQTZNB-LBKJDUGFSA-N 441.361 4.285 10 40 IICB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccccn1 223487915 QLODIKZTZNSTDB-ZEQRLZLVSA-N 440.576 4.452 10 40 IICB CC[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 224991166 AWISELYVFBQZHY-QHCPKHFHSA-N 445.629 4.011 10 40 IICB CCOc1ccc(/C=C2\SC(=S)N(CCC(=O)N(C)Cc3ccccc3)C2=O)cc1 2301100 DPNCGSYSIUCYJG-HKWRFOASSA-N 440.590 4.335 10 40 IICB Cc1cc([C@H]2NC(N)=Nc3nc4ccccc4n32)c(C)n1-c1ccc(Br)cc1 9086764 LBNLQSCGAZIQIH-IBGZPJMESA-N 435.329 4.303 10 40 IICB O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)NC1CCCC1 12032290 DWIAAJSTYNWQTR-RVDMUPIBSA-N 439.400 4.099 10 40 IICB COc1ccc(N2CCN(C(=O)/C=C/c3ccc(Cl)cc3Cl)CC2)c([N+](=O)[O-])c1 33826469 LAXIXJYEXFKEKA-XVNBXDOJSA-N 436.295 4.272 10 40 IICB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccc1F 223266998 VJFBZWXWYVVCBC-XZOQPEGZSA-N 437.588 4.162 10 40 IICB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccccc1 223742236 WKHKCXLETIJYSG-DHIUTWEWSA-N 434.565 4.106 10 40 IICB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc(Cl)c1OCC 408874861 BONFEDXGFGOVJH-WJDWOHSUSA-N 442.899 4.366 10 40 IICB CCc1ccc(N2C(=O)/C(=C/c3cccn3CCOc3ccccc3C)C(=O)N=C2O)cc1 2403671 NOXISTCUAACSDW-OQKWZONESA-N 443.503 4.309 10 40 IICB C/C(NCc1ccc2c(c1)OCO2)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 112289095 DBBREAIAJNSIAJ-KQWNVCNZSA-N 429.451 4.369 10 40 IICB Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1NS(C)(=O)=O 218587743 PMAHJQZKZGLQMI-SFHVURJKSA-N 429.586 4.094 10 40 IICB Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)c2C)c1 223620879 BFVHYNAKOYNGHR-ZEQRLZLVSA-N 434.609 4.461 10 40 IICB CCN(CC)c1ccc(CNC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)cc1 224773747 PBUITOHXRYKBMM-UHFFFAOYSA-N 445.629 4.012 10 40 IICB CCOc1ccc(N2C(=O)/C(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)SC2=S)cc1 409344709 JSRMKZQBISCRHX-IUXPMGMMSA-N 430.463 4.128 10 40 IICB CCN(CC)c1ccc(CN2CCC3(CC[C@@H](CNC(=O)OC(C)C)OC3)CC2)cc1 2056225349 MHMPTBXHUQFJJH-QHCPKHFHSA-N 431.621 4.429 10 40 IICB COc1ccc(-c2csc(N3N=C(C)[C@H](/N=N/c4ccccc4C(=O)O)C3=O)n2)cc1 8396322 FBTXRPYXQOVFMT-FTGFMQHASA-N 435.465 4.392 10 40 IICB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)cc1 9075821 CBXHVXCYMKUYLC-HMAPJEAMSA-N 431.467 4.462 10 40 IICB COc1ccc(N2C(=O)/C(=C\c3cc(OC)c(OC(C)=O)c(OC)c3)SC2=S)cc1 9310709 UTCGHHQGBFYAJV-WOJGMQOQSA-N 445.518 4.044 10 40 IICB O=C(COC(=O)c1cccc2ccccc12)Nc1cccc2c1C(=O)c1ccccc1C2=O 9729216 CINIROGNNNADJA-UHFFFAOYSA-N 435.435 4.411 10 40 IICB O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2 409149488 HQWHXZGCBZOOMW-CAOOACKPSA-N 443.550 4.044 10 40 IICB CN1CC2(CCCCc3ccccc3OCC1=O)CCN(Cc1cccc(F)c1O)CC2 643563676 LCVRXEGLRVYYJP-UHFFFAOYSA-N 440.559 4.377 10 40 IICB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OC(C)C 206885852 QKYFFPZIYJVSOJ-CPNJWEJPSA-N 442.562 4.419 10 40 IICB O=C(COc1ccccc1/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O)N1CCCC1 408572341 GIEJCNYHIZXJHY-UYRXBGFRSA-N 442.537 4.233 10 40 IICB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)c2C)cc1 408855180 DDNLMSUWIWSSDR-OEAKJJBVSA-N 443.503 4.386 10 40 IICB CCOc1ccc(/C=C2\C(=O)N(CC)C(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC 409012190 JMNASDGOUOTJAZ-SFQUDFHCSA-N 444.940 4.311 10 40 IICB CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)c2C)cc1 409187282 OJLDZBWTDOWLTP-PXLXIMEGSA-N 445.544 4.324 10 40 IICB Cc1cc(C(=O)CN(C)Cc2ccc(N3CCOCC3)cc2)c(C)n1Cc1ccc(F)cc1 12533225 SZCPRZGGUGJZTG-UHFFFAOYSA-N 449.570 4.444 10 40 IICB O=C(Nc1cccc(F)c1)c1ccc(N2CC[C@H](NCc3cc(Cl)ccc3O)C2)nc1 49421011 XWDMYFQZOWCCIP-FQEVSTJZSA-N 440.906 4.201 10 40 IICB O=C(NCCc1ccc(O)c(O)c1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 95360833 FGGXXQXRROARCX-UHFFFAOYSA-N 428.828 4.424 10 40 IICB CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4O)[C@H]3C2=O)cc1 102758873 PWGSGXKGZUSYKQ-TZRRMPRUSA-N 444.487 4.232 10 40 IICB C[C@@H](C(=O)N1CCCC[C@@H]1c1cccnc1)N1C(=O)/C(=C/c2ccco2)SC1=S 9348328 JOYYRXNCKHUNDT-QPMKFSPVSA-N 427.551 4.018 10 40 IICB CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CC(C)C)C1=O 9463712 OWLHJLWXVOEZNE-LGMDPLHJSA-N 444.626 4.178 10 40 IICB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc3c(c2)OCO3)c(Cl)c1 34848960 FVARYPZHEYKGMD-ZDLGFXPLSA-N 448.862 4.109 10 40 IICB COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)N(C)C(=O)N(c4ccccc4)C3=O)o2)c1C 59138934 ZSPJTUSDBVPZNT-XSFVSMFZSA-N 444.443 4.050 10 40 IICB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCC)c3ccccc23)C1=O 409242320 QNIBJLLOJPTKIU-XDJHFCHBSA-N 430.460 4.304 10 40 IICB O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc(Br)c1 1858100 FCKCPARTQAHYKN-JYRVWZFOSA-N 439.381 4.351 10 40 IICB O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 8853701 SPQXOQXFQCQUBV-YBEGLDIGSA-N 443.242 4.413 10 40 IICB CCC1=NN2C(=N)/C(=C/c3cccc(OCCOc4ccc(C)cc4)c3)C(=O)N=C2S1 9046107 OZUOXBGREMWXCJ-ANDFITQPSA-N 434.521 4.482 10 40 IICB CCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc([N+](=O)[O-])ccc4C)c3C)C(=O)N=C2S1 9293709 KQRPSGFSNXUDNI-WBXVYAGQSA-N 436.497 4.340 10 40 IICB Cc1ccc(-n2c(C)cc(C(=O)CSc3nc(C)c(CC(N)=O)s3)c2C)cc1C 9470836 CCGVHFKSDJQPGH-UHFFFAOYSA-N 427.595 4.479 10 40 IICB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1cccc2ccccc12 10878307 WBCWWCNJJJAEAK-UHFFFAOYSA-N 435.435 4.411 10 40 IICB Cc1ccc(CN(C)CC(=O)Nc2cc3c(cc2Cl)C(=O)c2ccccc2C3=O)cc1 13056797 WJAOAIUPIWOBCJ-UHFFFAOYSA-N 432.907 4.494 10 40 IICB Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(-c4ccccc4C)c3C)C2=O)cc1 16293037 XYSPQEWXKRYRJV-HMAPJEAMSA-N 442.519 4.242 10 40 IICB CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1nn(-c2ccccc2)nc1C(=O)c1ccccc1 100955120 WFCWUSLUFXPNJC-CWHMERMBSA-N 449.474 4.373 10 40 IICB CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c1C 223583903 HZFATXMHDNYRBG-LADGPHEKSA-N 434.609 4.325 10 40 IICB O=C1/C(=C/c2cccc(F)c2)SC(=S)N1CC(=O)N1CCCC[C@H]1c1cccnc1 9348714 WNZTTXMNTGEIAJ-IZILLXMLSA-N 441.553 4.176 10 40 IICB COc1ccc(C2=NN(C(=O)c3ccccc3)[C@H](c3ccc(OC)c(OC)c3)C2)c(O)c1 13121778 LJZJYUMQIAGXKX-NRFANRHFSA-N 432.476 4.410 10 40 IICB O=C1C(=Cc2ccc(O)c([N+](=O)[O-])c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 59426375 WXSXKVJHRZLYSF-UHFFFAOYSA-N 445.456 4.049 10 40 IICB CCOC(=O)c1c(NC(=O)[C@H]2CC(Cl)=CC[C@@H]2C(=O)O)sc2c1C[C@@H](C)CC2 8861814 WMEVKHIFKJNYTR-DRZSPHRISA-N 425.934 4.222 10 40 IICB Cc1ccc2[nH]c(C)c(/C=C3/C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2c1 13810028 KTWNWMJSVCPBNP-YVLHZVERSA-N 438.281 4.214 10 40 IICB CN(Cc1cc(N(C)C)nc([C@@H]2CCCCN2)n1)Cc1ccc(N2CCCCC2)cc1F 19709859 GRKZBFCDEWGBGI-QHCPKHFHSA-N 440.611 4.119 10 40 IICB Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)nc1 223233989 BBYVONVNJHRIDB-RPWUZVMVSA-N 448.640 4.117 10 40 IICB CCOc1ccc(/C=C2\C(=O)N(c3cccc(C(C)=O)c3)C(C)=C2C(=O)OC)cc1OC 409382932 YIZUBRBGOLMRBM-NDENLUEZSA-N 435.476 4.174 10 40 IICB CCN1C(=O)/C(=C/c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)SC1=S 2201676 KLRLOFSMFMNKOI-PTNGSMBKSA-N 443.937 4.361 10 40 IICB CCn1cc(/C=C2\C(=O)N(CN3CCN(C)CC3)c3cc(Cl)ccc32)c2ccccc21 22785363 RGAXKZNIFZHADQ-HMAPJEAMSA-N 434.971 4.407 10 40 IICB COc1cccc(NC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c1OC 35597175 QRADRYTYPAWHDN-JOCHJYFZSA-N 438.572 4.045 10 40 IICB COc1ccc(OC)c(N/C=C2\C(=O)N=C(S)N(c3cccc4ccccc34)C2=O)c1 102561398 SMJWFWXIGJENIN-GHRIWEEISA-N 433.489 4.012 10 40 IICB CCN1C(=O)C(=Cc2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)C(=O)N(CC)C1=S 113815414 JDFBOEAOGRYKMP-UHFFFAOYSA-N 431.989 4.351 10 40 IICB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccccc1OCc1cccc(Cl)c1 408798018 DKJKETOZNGSUAG-DEDYPNTBSA-N 448.862 4.291 10 40 IICB CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OC(C)=O 409341952 CMKPPDLFQPMQMX-DEDYPNTBSA-N 442.562 4.482 10 40 IICB CC(=O)Nc1cc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)ccc1C 1346230 VRABPMYUSSFRQP-UHFFFAOYSA-N 449.492 4.389 10 40 IICB COc1ccc(NC(=O)CC(=O)n2nc(C)c(/N=N/c3ccccc3C(=O)O)c2C)cc1 5809864 QNWOKZPUFYMYEW-OCOZRVBESA-N 435.440 4.291 10 40 IICB COc1ccc(N2CCN(c3ncc4c(n3)C[C@@H](/C=C/c3ccccc3)CC4=O)CC2)cc1 9264490 KVJGRERCXFIDDO-QQUYBBDPSA-N 440.547 4.270 10 40 IICB Cn1c(-c2ccccc2)cnc1SCC(=O)NCc1cc(Cl)c2cccnc2c1O 12427792 PZOLTFSMEBZRFR-UHFFFAOYSA-N 438.940 4.403 10 40 IICB CCc1cc2c(C)cc(=O)oc2c(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1O 13062037 IJBKDTAUGNOIAR-UHFFFAOYSA-N 447.457 4.105 10 40 IICB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCCC3)cc2F)C1=O 409232040 GSDUWGZEBSPPME-LFIBNONCSA-N 427.863 4.054 10 40 IICB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 2221182 YHQBNCJKHSSODT-CPNJWEJPSA-N 431.404 4.084 10 40 IICB N=C1/C(=C\c2ccccc2OCc2ccccc2)C(=O)N=C2SC(C(F)(F)F)=NN12 9300971 YQGBREQHKUSBEC-ISOLXOJXSA-N 430.411 4.447 10 40 IICB CCOc1ccc(CN(C)Cc2c(O)c(C(=O)N3CCOCC3)cc3ccccc23)cc1 32751330 ZDCMMDMFMPIQEW-UHFFFAOYSA-N 434.536 4.049 10 40 IICB COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OC(C)(C)C 33780008 SBBLRYYBJPQMQS-WJDWOHSUSA-N 445.313 4.096 10 40 IICB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)c(C)c1 97951967 OXOJCPIGDKKQKH-SDHSZQHLSA-N 441.531 4.421 10 40 IICB COc1ccc(CN/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 112291480 UWYBEEDJMPQAOB-QJOMJCCJSA-N 442.475 4.418 10 40 IICB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)c2C)cc1 408789455 KXCVDLMNTULSMM-HYARGMPZSA-N 429.476 4.078 10 40 IICB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cc(C(=O)O)ccc4C)o3)C2=O)cc1 408982304 GKPQMZIXOLTBNW-MOSHPQCFSA-N 444.443 4.182 10 40 IICB Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)c(F)c3)C(=O)NC2=S)c1C 409135267 XWGWEPYIOMOQNY-QGOAFFKASA-N 437.540 4.264 10 40 IICB Cc1cc(C(=O)COC(=O)c2ccc3c(c2)OCO3)c(C)n1-c1ccc(OC(F)F)cc1 3372966 CXWHYZJKSWIAJK-UHFFFAOYSA-N 443.402 4.464 10 40 IICB N=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC(C(F)(F)F)=NN12 6974981 PWJRNYQGCCMJTH-YWSQEIRASA-N 435.343 4.036 10 40 IICB CCc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)cc1 13750126 KRWAHTYTUHKDKY-SDHOMARFSA-N 441.531 4.366 10 40 IICB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1c(C)ccc2ccccc12 408866127 FUVYUIDQYZBMSM-UHFFFAOYSA-N 446.528 4.040 10 40 IICB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1Cl 409056233 LFSWNKDIXZGQSH-OQLLNIDSSA-N 449.290 4.457 10 40 IICB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccc(N4CCCC4)cc3)c2)cc1 10112178 KIXJHMGHEXPULN-UHFFFAOYSA-N 449.576 4.326 10 40 IICB CNC(=O)NC(=O)CCSc1ncc(-c2ccc(Cl)cc2)n1Cc1ccccc1 32754542 XTWLRAQHIRBLNH-UHFFFAOYSA-N 428.945 4.190 10 40 IICB CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ncc(Br)cc1Br 101112471 WQDXMPSRBIRFRH-UKTHLTGXSA-N 436.107 4.325 10 40 IICB COc1ccc(/C=C2/C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)c(OC)c1 9553594 QQXNXVGOLNBUDR-OXMFYWCOSA-N 438.534 4.214 10 40 IICB CC(C)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Br 408601908 MCECTJCRTJKWML-MHWRWJLKSA-N 443.297 4.150 10 40 IICB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(O)cc4)c3C)C2=O)cc1 408982519 HMCMHRRBPLBQPR-HMAPJEAMSA-N 429.476 4.029 10 40 IICB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)c(C)n1-c1ccccc1 12534552 CIUJZUFCUYHXBF-HHHXNRCGSA-N 441.531 4.451 10 40 IICB O=C(O)CN1C(=O)/C(=C\c2ccc(-c3ccccc3Br)s2)SC1=S 23081033 HZUUPPWLCGCSNZ-NTUHNPAUSA-N 440.365 4.463 10 40 IICB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\Nc3cc(C)c(Br)cc3C)C2=O)c1 408533404 SBEOHEQWHDOCSO-XNTDXEJSSA-N 442.313 4.262 10 40 IICB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O 408881932 MOOMDDANTSKLHQ-JWGURIENSA-N 426.472 4.494 10 40 IICB CC1=C[C@@H]2C[C@H](C)CC[C@@H]2[C@](C)(/C(O)=C2\C(=O)NC(CO)=C2O)[C@@H]1/C=C/C=C/C[C@H](C)O 514288279 AJDLKWSYDPWRCH-GPZHIQJDSA-N 443.584 4.208 10 40 IICB biogenic,in-vitro COc1ccc(Cn2c3c(c4ccc(OC)c(OC)c4c2=O)C(=O)c2ccccc2-3)cc1 604406263 ZQSROCTXUDNUEK-UHFFFAOYSA-N 427.456 4.287 10 40 IICB biogenic Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1cccc(I)c1 924730 HHQGVBXGOIPAJW-UHFFFAOYSA-N 449.317 4.423 10 40 IICB COc1ccc(C(=O)c2cc(OC)c(OC)cc2NS(=O)(=O)c2ccc(C)cc2)cc1 2286920 PLLFTSJEHIIEQZ-UHFFFAOYSA-N 441.505 4.053 10 40 IICB Cc1cc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c(C)n1-c1ccccc1 3305749 STLLMKAYNPXGGW-UHFFFAOYSA-N 431.492 4.015 10 40 IICB Cc1nnc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)s1 8911469 CTSGUZGUIVZGOF-UKTHLTGXSA-N 438.987 4.120 10 40 IICB O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1N1C(=O)[C@H]2CCCC[C@@H]2C1=O 12956342 FBHINWQNCQTZNB-GWJSJLEESA-N 441.361 4.285 10 40 IICB O=C1/C(=C\c2cccs2)SC(=S)N1CC(=O)N1CCCC[C@H]1c1cccnc1 33539656 WHDBAOTXDSVWFQ-KTZOAPACSA-N 429.592 4.098 10 40 IICB COc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1C 96234386 ZHUHAZBYCMGSIU-OMCISZLKSA-N 435.332 4.450 10 40 IICB CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)cc21 260921106 OIHZGRZEHUOWAA-XZOQPEGZSA-N 435.641 4.247 10 40 IICB Cc1cc(C)cc(Cc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1 408885118 WTLFGKARGAJGEZ-HZHRSRAPSA-N 426.472 4.266 10 40 IICB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)N(C)Cc3ccccc3)C2=O)c1 8819229 CNVGFBBOWQCARE-HKWRFOASSA-N 440.590 4.335 10 40 IICB COc1ccc(N2CCN(Cc3nc(Cc4ccc(Cl)cc4Cl)no3)CC2)cc1 12843368 KBKSGDINEZQTSG-UHFFFAOYSA-N 433.339 4.298 10 40 IICB CC(C)c1cc(NS(=O)(=O)c2ccccc2)cc(S(=O)(=O)c2ccccc2)c1O 26787029 VAYPNQOMDLHOPB-UHFFFAOYSA-N 431.535 4.149 10 40 IICB Cc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccc(N(C)C)cc3)N(c3ccccc3)O[C@H]2C1=O 102711807 MTHKDCZYNZGXGA-RBZQAINGSA-N 427.504 4.112 10 40 IICB Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 208499084 DFMYCVXJNPTQDD-NDENLUEZSA-N 434.477 4.334 10 40 IICB COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1c(O)ccc2ccccc12 408527404 AKSUPQJHCKLZKJ-STZFKDTASA-N 443.455 4.209 10 40 IICB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3F)C(=O)NC2=S)c1 409227621 QXFIYXKGNFPQCU-CPNJWEJPSA-N 437.540 4.264 10 40 IICB COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)NC4(CCCCCCC4)C3=O)c2C)cc1 2648570 MQBDBTFRRLDUKM-UHFFFAOYSA-N 437.540 4.320 10 40 IICB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 9427567 YHQBNCJKHSSODT-UYRXBGFRSA-N 431.404 4.084 10 40 IICB COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccc(S(C)(=O)=O)cc2)cc1 9672604 WVHSXKLWVAGLFM-UHFFFAOYSA-N 438.549 4.012 10 40 IICB COc1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](CCSC)C(=O)O)C3=O)o2)cc1 13073872 FYNGJVBBJCJCFI-ZCQLHAAUSA-N 449.575 4.363 10 40 IICB C[C@@H]1CCCN(c2cc(Cl)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 225956810 YTCWKBNMVIONNB-MRXNPFEDSA-N 445.036 4.453 10 40 IICB CC(=O)c1cccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)o2)c1 408856294 JVGWOKOEPSQQHF-FYJGNVAPSA-N 428.444 4.432 10 40 IICB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1Cc1cccc(F)c1 408872686 OFUSCPQJJRJYOB-HYARGMPZSA-N 444.462 4.400 10 40 IICB O=C1NC(=S)NC(=O)C1=Cc1c(OCc2cccc3ccccc23)ccc2ccccc12 408884806 ZVSJUWAUAIMBPC-UHFFFAOYSA-N 438.508 4.486 10 40 IICB N=C1/C(=C/c2ccc(OCC(=O)O)cc2)C(=O)N=C2SC(CCC3CCCCC3)=NN12 9158766 VRVXKBAAZPZUQS-ZTPJVXOPSA-N 440.525 4.130 10 40 IICB COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 9851145 AKMNOLURYMQWPH-NOMGLIDZSA-N 437.492 4.146 10 40 IICB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(OC(C)C)c1 408800507 NESKQJVVBQQFFW-MHWRWJLKSA-N 428.872 4.111 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(Cl)cc1OC 408852964 KDNRNCNJLJXJPG-CXUHLZMHSA-N 428.872 4.031 10 40 IICB O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 408883605 VAQOPWKUAJLQSN-UHFFFAOYSA-N 441.723 4.140 10 40 IICB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc(N(C)C)cc2)C1=O 409361020 PPPYFRZHQHCOSA-VCHYOVAHSA-N 429.929 4.389 10 40 IICB O=C1N=C(Nc2ccc3c(c2)OCO3)S/C1=C\c1ccc(-c2ccc3c(c2)COC3=O)o1 778735 WUMORDLJVWRIFT-UKWGHVSLSA-N 446.440 4.428 10 40 IICB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c(C)n1-c1ccc(Cl)cc1 2647294 LZIQWVUWFSFFHW-VWLOTQADSA-N 447.922 4.324 10 40 IICB CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)O)c(OC)c3)SC2=S)cc1 9188794 TYIWOAUGRFIKCA-WQRHYEAKSA-N 429.519 4.127 10 40 IICB COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(OC)c1OC 9232412 XSQBPTXPTDEWFW-LDADJPATSA-N 430.551 4.184 10 40 IICB CCc1cc(C)cc(OCCOc2ccc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2)c1 41078455 JZYNYYLOVMPVNF-MUJYFGONSA-N 431.492 4.466 10 40 IICB CCCC1=NN2C(=N)/C(=C/c3cccn3-c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)N=C2S1 41083344 MDRFWQWIMFHJDS-JBTBNTSXSA-N 442.888 4.458 10 40 IICB Cc1ccc(COc2ccc(/C=C3/C(=N)N4N=C(N5CCCC5)SC4=NC3=O)cc2)cc1 41085038 ZKBSVCMPCKTYRP-OEMPCWLZSA-N 445.548 4.246 10 40 IICB COC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)C1=O 106750844 PRVWWHKEUZGVHC-PXNMLYILSA-N 438.427 4.322 10 40 IICB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cn2)c1C 223061994 IBRBCHRHVDQXPP-XZOQPEGZSA-N 435.597 4.202 10 40 IICB Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)c2C)nc1 260909886 AKZBQRUGYJKXHY-VEXUSMLFSA-N 447.608 4.344 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCC 408803301 NKVJRKNACRGQJT-MHWRWJLKSA-N 442.899 4.421 10 40 IICB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1OC(C)C 408811024 NGDUOYQSVVGSGH-CXUHLZMHSA-N 428.872 4.111 10 40 IICB CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OC(C)=O 409338879 QCPGFPVGYQOXFJ-ZDLGFXPLSA-N 444.490 4.325 10 40 IICB Cc1ccccc1NC(=O)c1cc2ccccc2c(CN2CCC3(CC2)OCCO3)c1O 12914014 FAHKUMRHJNQSRJ-UHFFFAOYSA-N 432.520 4.445 10 40 IICB CCN(CC)c1ccc(/C=c2\sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)cc1 16735148 BKXLPZAXJPWXBT-XLPBZENTSA-N 436.968 4.369 10 40 IICB CCOc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccccc1F 40006430 GBMINMYPBGHZFG-ZDLGFXPLSA-N 447.509 4.089 10 40 IICB O=C1/C(=C\c2ccc(O)c(Br)c2)SC(=S)N1c1ccc2c(c1)OCO2 409338994 CYFYCQDYERTNTC-GIDUJCDVSA-N 436.308 4.289 10 40 IICB COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 6878781 XHZHJESIHUHULP-PXNMLYILSA-N 447.450 4.135 10 40 IICB COc1cccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)c1 8819156 CATWVFDOLPIGPR-QGOAFFKASA-N 428.535 4.021 10 40 IICB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCCOc1ccccc1 13940523 LQNOQCHSZAYZGG-XLNRJJMWSA-N 444.487 4.005 10 40 IICB COC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC 408901375 DTFMALPYPQFJGK-MHWRWJLKSA-N 449.937 4.306 10 40 IICB CCCCC1(C)OC(=O)C(=Cc2cc(Br)cc(Br)c2O)C(=O)O1 3771138 GLSHAYWYCOTCIJ-UHFFFAOYSA-N 448.107 4.307 10 40 IICB COc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(C)n(-c4cccc(O)c4)c3C)C2=O)cc1 9089840 IHHGPDFUVFZGLH-MTJSOVHGSA-N 431.448 4.315 10 40 IICB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCCCC3)cc2F)C1=O 9847000 BDYJMCAZZVILHX-SFQUDFHCSA-N 441.890 4.444 10 40 IICB COc1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c(OC)c1OC 23410557 VMHJTTZDAWNODE-GDNBJRDFSA-N 432.479 4.026 10 40 IICB COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)cc1 223249036 RZBNZIYFFWCMDY-RPWUZVMVSA-N 449.624 4.114 10 40 IICB Cc1ccc(CNC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCCC4)c(C)c3)C2=O)cc1 409217445 VCIVARYEZJGZFX-HMAPJEAMSA-N 449.576 4.256 10 40 IICB O=C(CN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc([N+](=O)[O-])cc1 27530304 XPPAJYDJRLFZIW-OQLLNIDSSA-N 433.898 4.088 10 40 IICB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C2=O)cc1 408739784 FQGWISNOTZZDRS-OEAKJJBVSA-N 443.503 4.386 10 40 IICB COC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Br)c3)c2C)C1=O 1018596 YSYCXBDNUDWPON-LZYBPNLTSA-N 449.326 4.066 10 40 IICB N=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN12 33458136 VGHZHEQHCWDTCO-NIWWFUJCSA-N 435.509 4.430 10 40 IICB Cc1cc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1N1CCCC1=O 225839511 HHQRNBVWCWQQCW-GOSISDBHSA-N 438.597 4.006 10 40 IICB Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2)cc1C 408809603 HNDFXCGLHHZADA-OEAKJJBVSA-N 442.471 4.254 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(C)C 408991324 QDTXRZAATMAKQH-XDHOZWIPSA-N 438.549 4.260 10 40 IICB COCCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)C(C(=O)OC)=C1C 409011873 OSDLTISHOUIKKA-NDENLUEZSA-N 428.916 4.067 10 40 IICB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)c2C)c1 409236492 SGVPMRNCMRJMGB-LPYMAVHISA-N 443.503 4.282 10 40 IICB Cc1cccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)c1 409247521 IAQQBKOIOKFXAT-XKZIYDEJSA-N 430.464 4.404 10 40 IICB Cc1ccc(C(C)C)c(OCCn2c(C)c(C=C3C(=O)NC(=O)NC3=O)c3ccccc32)c1 8916945 NEQRTNSFBPKJDP-UHFFFAOYSA-N 445.519 4.210 10 40 IICB CCc1cc2c(=O)c(-c3nncn3-c3ccccc3)coc2c(CN2CCCCC2)c1O 10037807 ARXCFFLPAFCSFB-UHFFFAOYSA-N 430.508 4.295 10 40 IICB O=C(O)CCCCCN1C(=O)/C(=C\c2ccc(O)c(Br)c2)SC1=S 21193561 VQPKIFNQQYRUJU-UKTHLTGXSA-N 430.345 4.001 10 40 IICB O=C1/C(=C/c2ccccc2)SC(=S)N1CCC(=O)N1CCCC[C@H]1c1cccnc1 33719028 HOLVBYSBRGUJTL-RVPSJEOCSA-N 437.590 4.427 10 40 IICB CSc1cccc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccccc32)c1 44169836 HXKOZWCQFBMKSP-UHFFFAOYSA-N 428.579 4.434 10 40 IICB CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1COCC(C)C 224741154 AAHYROAVUBTYGV-UHFFFAOYSA-N 426.557 4.229 10 40 IICB COC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)ccc1Cl 225127813 XFYRCMGAUALJJU-OAHLLOKOSA-N 436.961 4.156 10 40 IICB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3OCC)C2=O)cc1 409045195 FPGBFGGRODCUJT-MHWRWJLKSA-N 449.290 4.457 10 40 IICB COc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)cc1Br 1766393 LQRCBKVSQCOGDD-GXDHUFHOSA-N 444.372 4.304 10 40 IICB Cc1ccc(NC(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1Cl 10878288 AQMNHEAAYYZRET-UHFFFAOYSA-N 433.847 4.219 10 40 IICB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2)c1C 223686696 KPBKVEOYLSCIFT-PKTZIBPZSA-N 434.565 4.025 10 40 IICB COc1ccc(C(=O)c2c(C(F)(F)F)oc3c2C(=O)c2ccccc2C3=O)cc1OC 721112 OQUKXIHLWYORRF-UHFFFAOYSA-N 430.334 4.322 10 40 IICB C[C@H](NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1)c1ccc(N2CCCCC2)cc1 225664548 ILXLZLUVLWWNKZ-KRWDZBQOSA-N 446.642 4.120 10 40 IICB CCCCCN1C(=O)/C(=C/c2c(NCC(C)C)nc3c(C)cccn3c2=O)SC1=S 2245156 QJVPNVNJVMYJAU-ATVHPVEESA-N 444.626 4.462 10 40 IICB Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4c[nH]nc4-c4ccccc4)S3)CC2)cc1 8682615 BQIRLOXWDIBZAZ-RCCKNPSSSA-N 429.549 4.178 10 40 IICB COc1ccc(N2CCN(c3ncc4c(n3)C[C@@H](c3ccccc3C)CC4=O)CC2)cc1 10156876 YXQSKOOBAXFXEH-LJQANCHMSA-N 428.536 4.033 10 40 IICB COC(=O)c1cc(-c2ccc(/C=C3/C(=O)NN(c4ccc(C)cc4)C3=O)o2)ccc1Cl 13602601 BHVYVPKZWPLXFB-PDGQHHTCSA-N 436.851 4.156 10 40 IICB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC 408812625 MEUIDNLDVATLKZ-RVDMUPIBSA-N 428.872 4.112 10 40 IICB COc1ccccc1/C=C1\SC(=S)N(NC(=O)c2ccc(Br)cc2)C1=O 1254084 BXVXBAPGHUXZKT-GDNBJRDFSA-N 449.351 4.004 10 40 IICB COCCN1C(=O)/C(=C/c2cc(C(C)C)c(OC)cc2C)C(=O)N(c2ccccc2)C1=O 9323785 JBDPEMPCTRPVOJ-QNGOZBTKSA-N 436.508 4.152 10 40 IICB CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(OCC)c(OC)c1 14415122 ZWDXADUPYLEWFE-PGMHBOJBSA-N 435.520 4.399 10 40 IICB CN(C)c1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)N(C)C)cc1 32593801 LKGVKTUQXQMOJD-DEOSSOPVSA-N 432.568 4.319 10 40 IICB COc1cc(OCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1[N+](=O)[O-] 219827314 IQQNLZJCZZDAHV-QGZVFWFLSA-N 427.501 4.096 10 40 IICB COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)cc1 223248977 RZBNZIYFFWCMDY-DNQXCXABSA-N 449.624 4.114 10 40 IICB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccc(O)cc1 260922567 PXIPAMRCSLBGCL-FGCOXFRFSA-N 448.592 4.346 10 40 IICB COc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(O)cc3)C2=O)cc1OC 408845301 VTIJLBCAEUIWTQ-XSFVSMFZSA-N 430.460 4.253 10 40 IICB CN(C)c1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Br 408932063 SPAUUGSYXVYTAO-YBEGLDIGSA-N 434.721 4.261 10 40 IICB COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1OC 409145935 QQQQQCSIWIZCFL-LICLKQGHSA-N 448.953 4.212 10 40 IICB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)C(=O)NC2=S)c1 409231226 IQAQDARCFHJYQP-LDADJPATSA-N 446.484 4.093 10 40 IICB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc(Cl)c1OC 409232825 BRYBAKFSLYXCHP-CXUHLZMHSA-N 444.940 4.312 10 40 IICB O=C(NN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)c1ccc(OC(F)F)cc1 1255245 HTKCQMBJKRPSPK-LHQXNBGVSA-N 432.473 4.390 10 40 IICB CCOC(=O)c1ccc(N2N=C(C)/C(=C\c3cc(Cl)c(O)c(OCC)c3)C2=O)cc1 10059827 NYFQJEQXDRZTKH-LICLKQGHSA-N 428.872 4.427 10 40 IICB Cc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1cccc(F)c1 41076303 OHDHXBBINAYSEH-RRHMFZOISA-N 435.406 4.415 10 40 IICB CC[C@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C(=O)OC(C)C)C1 225774754 OUQDCSTZHCGKIT-ASJPCPMZSA-N 431.554 4.290 10 40 IICB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC 408804616 YXYWNZDHOLHVHI-MDWZMJQESA-N 435.263 4.067 10 40 IICB CCCOc1ccc(Br)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O 408871549 HEKOXXALLZSRBL-VBKFSLOCSA-N 445.338 4.069 10 40 IICB CCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1 408895704 FFTTTZCIBFVMFW-ATVHPVEESA-N 443.297 4.213 10 40 IICB CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccccc1 9553356 YVHOPZIRPXJDOR-OQKWZONESA-N 444.487 4.005 10 40 IICB COCCN1C(=O)/C(=C\c2csc(N(C(C)=O)c3cccc(C)c3C)n2)SC1=S 24778486 AMAXDZWZCSHIBJ-LICLKQGHSA-N 447.607 4.292 10 40 IICB Cc1ccc2[nH]c(C)c(/C=C3\C(=O)N=C(O)N(c4ccc(Br)cc4)C3=O)c2c1 36559493 KTWNWMJSVCPBNP-LICLKQGHSA-N 438.281 4.418 10 40 IICB CC(C)OC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O 106746674 LXHBFXKLDURFKX-PXNMLYILSA-N 449.868 4.286 10 40 IICB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cc2)c1C 223650607 GDQJWDNVAULQBO-RPWUZVMVSA-N 448.592 4.333 10 40 IICB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 408800828 RHSHUMQKFCEJHI-VGOFMYFVSA-N 435.263 4.067 10 40 IICB Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2)c1 408880402 HQJBQQHPGSMEEU-OEAKJJBVSA-N 442.471 4.254 10 40 IICB CCOc1ccc(/C=C2\SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)cc1OC 1805061 ITDPGNMDEFQEJZ-FSEPTYSPSA-N 429.519 4.121 10 40 IICB COc1cc(/C=C2/SC(=S)N(CNc3ccccc3F)C2=O)cc(OC)c1OC 15133758 DNPXIKNSEXGWRZ-LICLKQGHSA-N 434.514 4.122 10 40 IICB Cc1ccccc1COc1ccc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)cc1 41085027 HGKWEXHGXYANAV-OEMPCWLZSA-N 445.548 4.246 10 40 IICB COc1ccc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccccc32)cc1Cl 49003832 RVGIRTFSJJBBSG-UHFFFAOYSA-N 446.956 4.374 10 40 IICB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccccn1 223487873 QLODIKZTZNSTDB-BJKOFHAPSA-N 440.576 4.452 10 40 IICB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OC 408797545 GPGXSOSMDLPDDR-VGOFMYFVSA-N 449.290 4.376 10 40 IICB Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)cc2)c1 408914594 QZXZEIYXNPMCBT-LPYMAVHISA-N 430.435 4.380 10 40 IICB O=C1N=C(N2CCN(c3ccc(F)cc3)CC2)S/C1=C\c1ccc(Br)cc1 9187876 GYUGEFHTFWMLMA-AQTBWJFISA-N 446.345 4.381 10 40 IICB CCN(CC)c1ccc(CN(C(=O)c2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 9281875 MNPRMNCHVZFDOR-OAQYLSRUSA-N 434.989 4.016 10 40 IICB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)CCC2 9593883 VDIQOCOJQYJQPY-HHHXNRCGSA-N 441.531 4.233 10 40 IICB COc1ccc(N2CCCN(CC(=O)N3CC[C@@H](C)Sc4ccccc43)CC2)cc1 84700062 XAAJGWOZEHAFDJ-LJQANCHMSA-N 425.598 4.125 10 40 IICB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 408866192 GKPLCUDPSFRBGC-UYRXBGFRSA-N 434.398 4.210 10 40 IICB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1Cc1ccccc1F 408873020 QUGDALAKUCVJPM-DEDYPNTBSA-N 430.435 4.092 10 40 IICB CCOC(=O)COc1ccccc1/C=C1\SC(=S)N(Cc2ccc(C)cc2)C1=O 409051846 NLTWCLVZPNGXQK-UNOMPAQXSA-N 427.547 4.338 10 40 IICB Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)c2C)cc1F 8726296 QLXBHELFOANFAQ-AREMUKBSSA-N 445.494 4.118 10 40 IICB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3-c3ccc4ccccc4c3)C2=O)cc1 9265350 BDPBBTZPCYMOIS-KQWNVCNZSA-N 437.455 4.306 10 40 IICB Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)c(C)c1C 12999128 YLQQMHNSDZUDHS-UHFFFAOYSA-N 430.979 4.054 10 40 IICB CN1C(=O)C(=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)C(=O)N(C)C1=S 59140013 RZTJLBVNFGNWQM-UHFFFAOYSA-N 435.332 4.171 10 40 IICB COC(=O)C[C@H](c1cccs1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96222693 QOUHRZBJCYOHRS-CYBMUJFWSA-N 438.457 4.333 10 40 IICB biogenic Cc1cc(Br)cc(C)c1N/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O 408536576 WSDQVCAOQKGFAB-UKTHLTGXSA-N 448.704 4.298 10 40 IICB Cc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(Br)c2Br)cc1 6142933 BEEBWHDZVNRBNB-UHFFFAOYSA-N 435.137 4.335 10 40 IICB Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 59139240 GLVPFRQYSKBWBP-UHFFFAOYSA-N 429.545 4.360 10 40 IICB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)cc1 408743054 YYIFZFYCLPDZMV-XQNSMLJCSA-N 442.471 4.331 10 40 IICB COc1cc(/C=C2\SC(=S)N(c3cccc(C(C)=O)c3)C2=O)cc(OC)c1OC 2702125 ZYIOXNXNSTUCKI-ZDLGFXPLSA-N 429.519 4.321 10 40 IICB COc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)cc(Cl)c1OCc1ccc(F)cc1 4407449 DHGAOQMPNWGTLN-RBZUHYNYSA-N 444.875 4.316 10 40 IICB CC(C)Oc1c(Br)cc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33632857 MAPNCGKCKBXNBE-DHDCSXOGSA-N 435.705 4.351 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(F)cc3)C2=O)cc1 408786360 IHIJDEGYAYOMCK-KGENOOAVSA-N 430.435 4.380 10 40 IICB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1Cl 409008758 GBKAUAIAZODNQD-HNEYUBDGSA-N 444.940 4.357 10 40 IICB O=C1/C(=C/NCCc2cccnc2)C(c2ccccc2)=NN1c1nc2ccccc2s1 28632228 OKVPPZFMZAEWDM-KNTRCKAVSA-N 425.517 4.158 10 40 IICB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccccc1C(F)(F)F 33737718 BHHRAACTVRPWCG-WJDWOHSUSA-N 432.354 4.491 10 40 IICB CCN(CC)c1ccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 223169281 KBNDXBKNQRHBIY-UHFFFAOYSA-N 437.565 4.264 10 40 IICB CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)cc21 260921102 OIHZGRZEHUOWAA-PKTZIBPZSA-N 435.641 4.247 10 40 IICB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CSc2nc3ccccc3o2)cc1 7883689 GAVYOHDHAWBVPO-LJQANCHMSA-N 425.554 4.194 10 40 IICB Cc1cc(/C=C2\C(=O)N=C(O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 8914260 HYXPAUWATJGMRN-HYARGMPZSA-N 446.482 4.170 10 40 IICB COc1cccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1OC 9137409 LKEFXMKZFVYNLA-QHCPKHFHSA-N 437.584 4.043 10 40 IICB C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 9955735 QGXMUCGKHCOYPU-CYBMUJFWSA-N 445.496 4.196 10 40 IICB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(Cl)nc12 13403861 IEAZILZEGJBHQJ-VBKFSLOCSA-N 441.965 4.100 10 40 IICB COc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1OC 69456295 XLWATOKMISVREY-UHFFFAOYSA-N 449.510 4.153 10 40 IICB O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223923089 PVWHHORMNZTPIG-UHFFFAOYSA-N 449.576 4.408 10 40 IICB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)ccc1OC(C)C 409102860 FKHYOXCGSNWRKS-UKTHLTGXSA-N 449.290 4.456 10 40 IICB Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)N(CCO)c3ccccc3)C2=O)cc1 8766320 XXPHCFWUPCCCRH-SILNSSARSA-N 440.590 4.002 10 40 IICB O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc([N+](=O)[O-])cc1 9087354 XPPAJYDJRLFZIW-DHDCSXOGSA-N 433.898 4.088 10 40 IICB CC[C@@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C/c2cccc(OC)c2)SC1=S 12284803 URULGDFWBHEZNU-JFPYRBRCSA-N 432.611 4.468 10 40 IICB O=C(Nc1cccc(OC[C@H]2CCCO2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 69592544 ZUOYWVJTGOCIAH-FGZHOGPDSA-N 426.513 4.163 10 40 IICB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)C2=O)cc1 408764082 VYTPCYQHLADIIO-CIAFOILYSA-N 449.894 4.423 10 40 IICB CCN1C(=O)/C(=C\c2ccc(OC)c(C)c2OC)C(=O)N(c2ccc(Cl)cc2)C1=S 409020389 OUBCQAYWZKPPFT-SFQUDFHCSA-N 444.940 4.229 10 40 IICB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3nnc(CC(C)C)s3)C2=O)cc1 2365327 UPPGAFNSAZAINS-RVDMUPIBSA-N 446.623 4.275 10 40 IICB O=C(O)c1cc(N2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)ccc1O 8828405 ONYGLBRCCVXTCQ-AUWJEWJLSA-N 436.308 4.259 10 40 IICB O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/C=C/c2ccc([N+](=O)[O-])cc2)SC1=S 11582398 LAVLUVFDSPKJCP-UCCYEOCQSA-N 440.502 4.048 10 40 IICB CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc(OC(=O)c2cccs2)cc1 16160924 SWTMHFOJGODJSH-UNOMPAQXSA-N 432.457 4.472 10 40 IICB CN1C(=O)C(=Cc2ccc(-c3ccc(Br)c4ccccc34)o2)C(=O)N(C)C1=O 27527782 OQLKEXVYKYFRIR-UHFFFAOYSA-N 439.265 4.296 10 40 IICB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 113830925 BMZGMHVDIUNLSD-UHFFFAOYSA-N 449.290 4.015 10 40 IICB Cc1ccc(-n2nc(C)c(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 408755106 BNOBKRGXCYUOFM-NDENLUEZSA-N 434.883 4.117 10 40 IICB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)o1 409249236 JXJCHPGOVUIZMN-MHWRWJLKSA-N 425.853 4.146 10 40 IICB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1Cl 9295828 KXCKXGRPLFBDQN-NTUHNPAUSA-N 439.295 4.363 10 40 IICB Cc1cc(/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1cccc(F)c1 9309279 CAKKCFXJEYVOAQ-BNHNGMILSA-N 433.468 4.494 10 40 IICB CCOC(=O)C1CCN([C@@H](c2ccccn2)c2cc(Cl)c3cccnc3c2O)CC1 20192768 MDUCLGVZHOAMGA-OAQYLSRUSA-N 425.916 4.353 10 40 IICB COc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)cc1 41077889 XYQKWSYDAVBXGK-IVTJCWFQSA-N 445.479 4.292 10 40 IICB Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(N5CCCC5)SC4=NC3=O)c2C)c(C)c1 41085183 FUQMGVSSAVHVNB-QGUUBAPPSA-N 446.580 4.383 10 40 IICB Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 59138723 CMAIEGPUIKMPDX-XQNSMLJCSA-N 442.519 4.169 10 40 IICB Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3C)[C@@H](c3ccc(N(C)C)cc3)[C@H]2C1=O 169690230 HZKSZEJINJBVJV-DSITVLBTSA-N 441.531 4.421 10 40 IICB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Cl)c(OC(C)C)c(OC)c2)C1=O 408885380 YXMLNODIBSCWHL-YBEGLDIGSA-N 442.899 4.365 10 40 IICB COc1ccc(N(CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)Cc2ccccc2)cc1 8726196 KTSIYHUUEGOGQL-UHFFFAOYSA-N 445.563 4.382 10 40 IICB CCOC(=O)Cn1cc(/C=C2\C(=O)N(c3cc(C)cc(C)c3)C(=O)N=C2O)c2ccccc21 13801163 ABNSLCWDGKISQQ-NDENLUEZSA-N 445.475 4.328 10 40 IICB CCCCCCOc1ccc(/C=C2\SC(=S)N(CC(=O)OCC)C2=O)cc1OC 27563147 YSDHLCDTVJYXHS-AQTBWJFISA-N 437.583 4.419 10 40 IICB CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1C 223615800 BSBIAEAANNTLQB-ZEQRLZLVSA-N 434.609 4.406 10 40 IICB Cc1ccc(-n2nc(C)c(/C=C3\C(=O)NC(=O)N(c4ccccc4C)C3=O)c2C)c(C)c1 408755999 GUZSXVNWFGKQHO-DEDYPNTBSA-N 428.492 4.081 10 40 IICB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 408770607 ZNCBXZZRZOBTOA-UYRXBGFRSA-N 425.868 4.394 10 40 IICB COc1ccc(N2CCN(C(=O)c3ccc(-c4ccc(C)c(C)c4)o3)CC2)c([N+](=O)[O-])c1 33724846 QNZBVDBJDPXQKH-UHFFFAOYSA-N 435.480 4.443 10 40 IICB COc1cccc(C(=O)Oc2ccc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2Cl)c1 41078451 WPHJPIWKQQGFNJ-UTXWOTMXSA-N 437.839 4.018 10 40 IICB Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)c2C)c1 223620793 BFVHYNAKOYNGHR-RPWUZVMVSA-N 434.609 4.461 10 40 IICB COc1ccc2c(/C=C3\SC(=S)N(c4cccc(F)c4)C3=O)c(C(=O)O)[nH]c2c1 256055627 NQJNPAWXDMDZER-SXGWCWSVSA-N 428.466 4.420 10 40 IICB COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCOCCOc1ccccc1 41077621 DGUQLDRATCQVNF-HKWRFOASSA-N 445.562 4.001 10 40 IICB COc1ccc(N2CCN(C(=O)c3ccc(CN4CCc5ccccc54)cc3)CC2)cc1 216422405 QHNHIMXGECHMRI-UHFFFAOYSA-N 427.548 4.220 10 40 IICB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1OC 408809379 NYGNEWAUASIOLF-OQLLNIDSSA-N 428.872 4.031 10 40 IICB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cccc(OCc2ccccc2F)c1 408965345 KLIBXCLLWSTDDP-DEDYPNTBSA-N 434.398 4.210 10 40 IICB CCC(=O)NCCc1c(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N=C2O)[nH]c2ccccc12 1262439 OHCNHCGDBCKVAJ-RGEXLXHISA-N 444.491 4.052 10 40 IICB COc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)ccc1OCc1ccccc1C 27563238 OZVYHFIZDXLQOA-AXLWCPOOSA-N 443.546 4.257 10 40 IICB CC[C@@H](C)Oc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1OC 33383369 QVLRZCHGIOOJNY-VVBXCHJUSA-N 445.313 4.096 10 40 IICB CN1C(=O)C(=Cc2cccc(OCc3ccc(Cl)c(Cl)c3)c2)C(=O)N(C)C1=S 58962456 KICXTQXJDBTZJJ-UHFFFAOYSA-N 435.332 4.171 10 40 IICB O=C(NCc1ccc(N2CCCCC2)cc1)/C(=C/c1ccco1)NC(=O)c1ccccc1 223651931 NYNCJOTUDPKAPT-MOHJPFBDSA-N 429.520 4.357 10 40 IICB Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCCC3)cc2)cc1N1CCCCS1(=O)=O 224400000 XRGRQXFKMIQTCO-LJQANCHMSA-N 441.597 4.016 10 40 IICB COc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1 409241158 JDSKYHFWMPKPGO-QGOAFFKASA-N 435.867 4.114 10 40 IICB COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCCCC(=O)O 9236034 JFPAUCZVNCQLCF-QGOAFFKASA-N 429.519 4.345 10 40 IICB Cc1c(Cl)cccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccccc3O)[C@@H]2C1=O 9462005 OBCHLMTVSZBEEC-BDTNDASRSA-N 434.879 4.405 10 40 IICB CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1[C@@H](C)CC 12418683 GMDAVSHOCNZABT-SFHVURJKSA-N 432.586 4.118 10 40 IICB COc1ccc(N2CCN(C(=O)c3cccc(OCc4ccccc4)c3)CC2)c([N+](=O)[O-])c1 35363522 WVHXZZJLAMYQNE-UHFFFAOYSA-N 447.491 4.145 10 40 IICB CCN1CCN(Cc2cc(C)n(-c3ccc(C)cn3)c2C)CCOc2ccccc2CC1=O 643568336 ZAKGIUXARHRLQN-UHFFFAOYSA-N 446.595 4.083 10 40 IICB CC1=NN2C(=N)/C(=C/c3ccc(OCCOc4cc(C)ccc4C)cc3)C(=O)N=C2S1 13940000 DVYWBTZKBKBNRQ-YNUQAMOLSA-N 434.521 4.400 10 40 IICB CCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OC 21270716 XUSWJQWCQNOJQC-AQTBWJFISA-N 428.535 4.030 10 40 IICB CCOC(=O)N1CCC2(CC1)N=C(c1cccs1)C[C@@H](c1cccc(OCC)c1O)N2 80324902 DZTXFCQPWRLNNE-KRWDZBQOSA-N 443.569 4.325 10 40 IICB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)cc1 100799215 SUZLDVKKXHHIIA-VXNXHJTFSA-N 427.504 4.112 10 40 IICB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 408976884 GYCCORGTYPFAGF-YVLHZVERSA-N 443.883 4.243 10 40 IICB COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1OCC(=O)O 409344204 ICDLAOOOLIYAFU-DHDCSXOGSA-N 435.910 4.218 10 40 IICB CSCC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(N(C)C)cc1 18214918 VSYXRCLBUQTAFB-QFIPXVFZSA-N 441.641 4.218 10 40 IICB O=C(O)/C(=C\c1ccc(N2CCOCC2)cc1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408634959 VUOFOXAPGXHZRV-QGOAFFKASA-N 442.928 4.180 10 40 IICB COC(=O)c1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(OC)cc3)C2=O)cc1 408755825 WJIYUZXKENGDBL-PXLXIMEGSA-N 430.435 4.455 10 40 IICB CCOc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1 408876514 LRPKKZSYEUOSOZ-LZYBPNLTSA-N 449.688 4.168 10 40 IICB CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1O 408893907 GURRRANQGGSQFQ-UHFFFAOYSA-N 428.444 4.374 10 40 IICB Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)cc1C 8853432 LPXDURNSEICMKK-WQRHYEAKSA-N 436.851 4.376 10 40 IICB Nc1ccc(-c2ccc(N)c3c2C(=O)c2ccccc2C3=O)c2c1C(=O)c1ccccc1C2=O 31302834 KNMQFBWXSICVQC-UHFFFAOYSA-N 444.446 4.069 10 40 IICB in-vitro CC1=CC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4[N+](=O)[O-])c(Cl)c3)C(=N)N2O1 41078322 DZZRGWHGTHTCIL-RLOMILPJSA-N 438.827 4.278 10 40 IICB Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)N3CCCC3)SC2=S)cc1 408575919 OUTUWHYDCVEMNW-ZHZULCJRSA-N 438.574 4.402 10 40 IICB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1OC 409122590 ABIMAXRDEHJXHA-BRFSQIRFSA-N 438.549 4.321 10 40 IICB O=C1S/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 409189538 QECLZXZWUPFFDN-LDADJPATSA-N 445.884 4.326 10 40 IICB O=C1/C(=C/c2cccs2)SC(=S)N1CC(=O)N1CCCC[C@@H]1c1cccnc1 9253222 WHDBAOTXDSVWFQ-FEEIMYBTSA-N 429.592 4.098 10 40 IICB CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 12536714 WCXJDHWJYONWGD-UHFFFAOYSA-N 448.894 4.016 10 40 IICB CCCCN1CCc2cc(/C=C3\C(=O)N(c4cc(OC)ccc4OC)C(=O)N=C3O)ccc21 103117497 WXIWZZNONZPGCU-RGEXLXHISA-N 449.507 4.373 10 40 IICB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 408585111 AGSQWMJSYKLFDY-UYRXBGFRSA-N 437.492 4.206 10 40 IICB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(-c2cccc(Br)c2)o1 408692390 LLBUXAKJNRIZRG-LFIBNONCSA-N 429.270 4.114 10 40 IICB CCn1cc([N+](=O)[O-])c(C(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccccc2O)n1 653975 JXQSFMVBCMBABC-QGZVFWFLSA-N 439.859 4.162 10 40 IICB COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 9244771 CPADJCRNSYTUND-YVLHZVERSA-N 448.953 4.197 10 40 IICB CN(C)c1ccc(CN(CCCn2ccnc2)Cc2cc3c(cc2Cl)OCO3)cc1 13991175 OKOHHHDQQHQWRR-UHFFFAOYSA-N 426.948 4.424 10 40 IICB CCc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)C(O)=NC2=S)cc1 38173131 HTHDBPJPVZEJKC-NTEUORMPSA-N 431.311 4.389 10 40 IICB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\Nc3ccc(Br)cc3Cl)C2=O)c1 408536665 XEOKRJAIZNDOSO-UKTHLTGXSA-N 448.704 4.298 10 40 IICB COC(=O)c1ccc(C)c(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)o2)c1 408786000 DNMVMNIQFSXISE-DEDYPNTBSA-N 444.443 4.016 10 40 IICB CCN1C(=O)C(=C/C=C/C2=C3N(CCC2)c2ccccc2C3(C)C)C(=O)N(CC)C1=S 685944317 CVFYDBZPVYXUDQ-PKNBQFBNSA-N 435.593 4.310 10 40 IICB COc1ccc(N2CCN(C(=O)c3sc4nc5cc(C)ccc5cc4c3N)CC2)cc1 1342825 FMPNJZDEBGPYLG-UHFFFAOYSA-N 432.549 4.311 10 40 IICB CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCCOc1cccc(OC)c1 13943893 URZZYGRYUSAMCD-XDHOZWIPSA-N 431.535 4.041 10 40 IICB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C 222810211 QSIDJFJWXFKVIO-FCHUYYIVSA-N 434.565 4.268 10 40 IICB COc1cccc(N2C(=O)/C(=C/c3c(C(=O)O)[nH]c4cc(OC)ccc34)SC2=S)c1 256055485 IGDSIPKHUAWPGX-YVLHZVERSA-N 440.502 4.289 10 40 IICB CC(C)CN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC3)c3ccccc23)SC1=S 409136148 SUNHJXMXDYZDMH-ODLFYWEKSA-N 427.595 4.121 10 40 IICB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2ccc(N(C)C)cc2)C1=O 409234119 ZAUUXJANVUVYPM-XMHGGMMESA-N 448.910 4.172 10 40 IICB COc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 27519526 QBKJABCLAWJBHF-PXNMLYILSA-N 447.450 4.135 10 40 IICB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 95948275 ZRTSFEMZPMDRGH-CXUHLZMHSA-N 448.262 4.083 10 40 IICB O=C(COc1ccc(/C=C2\SC(=S)NC2=O)cc1Cl)Nc1ccc(Cl)cc1 408533399 YLLJQKRUNPGEMV-NVNXTCNLSA-N 439.345 4.500 10 40 IICB CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cccc(OC)c1OC 408788583 LJKGVBSSCBUYAF-HKWRFOASSA-N 437.492 4.370 10 40 IICB CCOc1ccc(C[C@@H]2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(OCC)c1 409149730 OTRODYWQZZLSTA-FQEVSTJZSA-N 431.579 4.464 10 40 IICB CCN(CC)S(=O)(=O)c1ccc(N/C=C2/C(=O)N(c3ccc(C)cc3C)N=C2C)cc1 4179358 RSFZMSLAKLJFGQ-RCCKNPSSSA-N 440.569 4.052 10 40 IICB Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(O)cc4)c3C)C(=O)NC2=S)c1 9805839 FVTNCVJVFFNCGZ-FYJGNVAPSA-N 445.544 4.248 10 40 IICB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)Nc2cccc(C)n2)cc1 103921426 RRNXFFNOHKRJOX-JWGURIENSA-N 443.463 4.444 10 40 IICB Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)c2C)c(C)c1 223581931 QZPZOBKHBQTBKN-ISKFKSNPSA-N 434.609 4.379 10 40 IICB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)COc2ccc(Br)cc2)cc1 8845979 FFWYXICMTLHWKI-NRFANRHFSA-N 447.373 4.102 10 40 IICB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S 40567401 BKNASTUNAFRRDY-FBKCMUNRSA-N 437.539 4.493 10 40 IICB CCN1C(=O)/C(=C\c2ccc(C(=O)OCC(=O)Nc3ccc(C)cc3)cc2)SC1=S 409199507 DVFQUXXGLDLDIR-LDADJPATSA-N 440.546 4.012 10 40 IICB COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc(Cl)c1OCc1ccccc1 409328915 AHKZXFCRDUTYNH-CXUHLZMHSA-N 449.937 4.213 10 40 IICB CCOc1cc(/C=C2/SC(Nc3ccc(F)cc3)=NC2=O)ccc1O[C@H](C)C(=O)O 16917917 YQPVNYZUIOCCLF-MBNTZHJCSA-N 430.457 4.159 10 40 IICB CN(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 32666254 UNWMZQIMVQKCPK-HSZRJFAPSA-N 446.463 4.156 10 40 IICB COc1ccc(N2CCN(C(=O)CSCc3nc(-c4cccs4)oc3C)CC2)cc1 84056830 AUUPYSUDEAWPSV-UHFFFAOYSA-N 443.594 4.302 10 40 IICB CCOc1cc(N2CCOCC2)ccc1[C@@H]1[C@@H](c2ccccn2)N=C2SC[C@H](CC)N21 260774898 OBBXZXBQOCMUKE-JJEOQYAHSA-N 438.597 4.296 10 40 IICB CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1 408770862 ANBWKIDUXRYJPQ-XDHOZWIPSA-N 434.835 4.469 10 40 IICB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(Br)ccc1OC 657307 ZPKRNQWNPNYCFY-BOPFTXTBSA-N 446.272 4.474 10 40 IICB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Br)cc2)cc1 59194090 PXMVALBULSBWKS-STZFKDTASA-N 449.304 4.490 10 40 IICB CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OCC 111507860 MTBCQAYPMOJHSU-WOJGMQOQSA-N 442.899 4.487 10 40 IICB COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1 223327788 PJWQKIBCFCJRNW-OYDLWJJNSA-N 448.592 4.341 10 40 IICB COc1ccc(C2=N/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2c2ccc(OC)cc2)cc1 408763334 MVOPMMTWCOTQDS-PXLXIMEGSA-N 428.444 4.237 10 40 IICB CCOc1cc(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)c1 408866927 IMPJXDUTABWJOW-BOPFTXTBSA-N 443.297 4.077 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCc4ccc(F)cc4)c3)C2=O)cc1 408960935 JSMOKGDBVONQEA-HYARGMPZSA-N 430.435 4.380 10 40 IICB CN1CCc2cc([C@H](CNC(=O)c3ccc(Br)cc3)N3CCCC3)ccc21 8963330 ASDBARDWQZSWRB-NRFANRHFSA-N 428.374 4.008 10 40 IICB Cc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1 9307063 IWJBCAJRZWRQPY-JNMYDYDMSA-N 444.495 4.296 10 40 IICB O=C(COC(=O)CCc1ccccc1)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 9335196 KKOJAVJACDYHEX-UHFFFAOYSA-N 447.874 4.230 10 40 IICB CN(C)c1ccc([C@H](CNC(=O)c2ccccc2F)N2CCN(c3ccccc3)CC2)cc1 16914632 KANDMHWDSVDKMA-SANMLTNESA-N 446.570 4.185 10 40 IICB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cccc(OC(F)(F)F)c1 17098362 RWRRXNDMTCDPTC-UYRXBGFRSA-N 433.386 4.237 10 40 IICB CC(C)c1ccccc1N/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 18209835 JTMIFHFQJDBHDA-WJDWOHSUSA-N 428.286 4.151 10 40 IICB Cc1ccc(C(C)C)cc1-c1nn(-c2ccccc2)cc1C=C1C(=O)N(C)C(=O)N(C)C1=O 27018393 SLWSUGJPXUYTGE-UHFFFAOYSA-N 442.519 4.405 10 40 IICB CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 408527357 AFVKZACEYFIXSU-YBEGLDIGSA-N 448.953 4.245 10 40 IICB CCOc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1 408869390 CRSQHHBYDJQTKL-VCHYOVAHSA-N 443.297 4.131 10 40 IICB CCSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(OC)c4)c3C)C(=O)N=C2S1 9292059 DTBZCKUJXNMTMD-QLAZQOFOSA-N 439.566 4.433 10 40 IICB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 14414544 WSWUHHMFQDLWSN-BOPFTXTBSA-N 428.828 4.134 10 40 IICB CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OCC(=O)OC 409338747 ABNRKBIRPDQIAW-PDGQHHTCSA-N 435.567 4.171 10 40 IICB O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccc(N2CCCC2)o1 9311398 KKRHTXKERKBYCG-BENRWUELSA-N 436.320 4.018 10 40 IICB Cc1cc(C)c(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c(C)c1 12630631 IENUMMSKMAUATO-UHFFFAOYSA-N 448.541 4.353 10 40 IICB COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 408891726 CDVWFOCNCDKVMR-SXGWCWSVSA-N 442.265 4.055 10 40 IICB COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3OC)SC2=S)c(OC)c1 8821588 ZBUYQCBEDYXXIN-YVLHZVERSA-N 447.534 4.135 10 40 IICB COc1ccc([C@@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3O)CCCC5)=NN2)cc1OC 12297134 VNIHIWUSUPKLNZ-KRWDZBQOSA-N 434.492 4.142 10 40 IICB biogenic Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(N5CCCC5)SC4=NC3=O)c2C)cc1 41085168 KPULISZFHKSTMJ-RYEIUNSYSA-N 432.553 4.075 10 40 IICB O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(N2CCCC2)cc1F 409102297 RQEJYNALIMQKHJ-GXDHUFHOSA-N 448.281 4.399 10 40 IICB COc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)ccc1OCc1ccc(Cl)cc1 9553536 BTKVFXZYTLEJMZ-HINGXDCCSA-N 426.885 4.177 10 40 IICB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C1=O 14132717 MXVQDDHOJNRUSG-KGENOOAVSA-N 430.435 4.380 10 40 IICB COc1ccc(CCN2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)cc1OC 35040874 BRHXZBQOQYCLKA-XSFVSMFZSA-N 428.579 4.214 10 40 IICB Cc1cc(/C=C2/C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)c(C)n1Cc1ccccc1 41084865 IELAWQUWLWXPHU-OEMPCWLZSA-N 446.580 4.216 10 40 IICB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)o1 59138898 KUMCXNYXDZIJAR-CPNJWEJPSA-N 431.404 4.172 10 40 IICB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/NC(=O)Nc1cccc(C)c1C 101122872 HMDNLXOXDYFDMN-GZTJUZNOSA-N 427.302 4.494 10 40 IICB CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2ccc(F)cc2)SC1=S 256055754 RYYFESQTQMAGCU-GFWHJHDHSA-N 430.526 4.114 10 40 IICB CCOc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC 408857958 QQSCXKYEBGLGKB-CXUHLZMHSA-N 428.872 4.031 10 40 IICB CCCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O 408870999 WSUSMBNYMZGTBZ-KAMYIIQDSA-N 447.260 4.043 10 40 IICB CCOc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(c2ccc(OC)cc2)C1=O 1406609 QTQOGECNMQICIB-ZHZULCJRSA-N 432.501 4.078 10 40 IICB Cn1cc(/C=C2/SC(NC(=O)c3ccc(Br)cc3)=NC2=O)c2ccccc21 8821939 XAQVQFCDJIQLEK-LICLKQGHSA-N 440.322 4.341 10 40 IICB Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1cccc(Br)c1 33422877 UGPHYSAJZBHTDL-NDENLUEZSA-N 436.309 4.318 10 40 IICB COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)[C@@H](C)N(c4ccc(C)cc4)C3=O)c2C)cc1 35227877 NCDDNYVYFOUNDA-LJQANCHMSA-N 445.519 4.451 10 40 IICB Cc1cc(/C=C2/SC(=S)NC2=O)c(C)n1-c1ccc(I)cc1 108926058 JTGVCUBAEAWCIK-RIYZIHGNSA-N 440.331 4.188 10 40 IICB COc1ccc(/C=C2\Sc3scc(-c4ccc([N+](=O)[O-])cc4)[n+]3C2=O)cc1OC 1637148 FBGPUGOGZRSDBF-ZDLGFXPLSA-N 427.483 4.415 10 40 IICB CCCCCCOc1ccccc1/C=C1\SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O 9361190 BDABQPPRZAPDNE-CQUHBBLWSA-N 439.624 4.034 10 40 IICB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(N(C)C)c([N+](=O)[O-])c1 13603095 YJMFVSSKTWAROM-YBEGLDIGSA-N 429.274 4.229 10 40 IICB CCN(c1ccc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1)S(C)(=O)=O 218781152 QKYMQPJHMSTAGC-LJQANCHMSA-N 443.613 4.200 10 40 IICB COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1OC 408796007 NXISRHHNXSHVSE-ATVHPVEESA-N 428.282 4.335 10 40 IICB Cc1ccc(COc2c(Cl)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc2Cl)cc1 59139449 FJGJNCJBDDPXOH-UHFFFAOYSA-N 449.359 4.480 10 40 IICB Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 408692835 WLRYRAWFEIMBGS-LICLKQGHSA-N 429.879 4.291 10 40 IICB CCOc1cc(C[C@H]2SC(=S)N(CCOC)C2=O)ccc1OCc1ccccc1 409149554 JRLVRTMSFDFQBQ-HXUWFJFHSA-N 431.579 4.082 10 40 IICB O=C1NC(=S)S/C1=C/c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1 2950102 KPUFSNNHTLPDAU-WOJGMQOQSA-N 427.528 4.096 10 40 IICB CCCCCOC(=O)CCCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S 12274875 QVXUTVUQPUHBNV-VKAVYKQESA-N 435.567 4.188 10 40 IICB Cc1ccc(OCCOCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)cc1 13895283 UGIYQFMKGXZVGE-HKWRFOASSA-N 429.563 4.300 10 40 IICB CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2)S1 32111751 OCARPJBRKXSVJT-LICLKQGHSA-N 431.311 4.135 10 40 IICB N#Cc1ccccc1COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl 34713548 MIWYYIVYSRGPDC-NDENLUEZSA-N 429.863 4.252 10 40 IICB CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O 409228357 XUCDWVUEJQPUGO-QNGOZBTKSA-N 443.503 4.468 10 40 IICB CC(C)[C@@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C\c2cccs2)SC1=S 13573761 DJNVJABGFYWXHZ-WQJNHMDYSA-N 446.619 4.038 10 40 IICB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nc(-c2ccc(C)cc2)cs1 28248781 GLNJGSUSJXXUJO-UHFFFAOYSA-N 431.539 4.276 10 40 IICB CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]3ON2c2ccccc2)cc1 169682726 PHMDQFHXSRWGJF-XPWALMASSA-N 447.922 4.457 10 40 IICB COC(=O)COc1ccc(/C=C2\C(=O)N(c3ccc(C(C)C)cc3)C(C)=C2C(=O)OC)cc1 408779197 SCUWPOVXLVTZAZ-HMAPJEAMSA-N 449.503 4.239 10 40 IICB O=C1/C(=C/c2ccc(O)c(Br)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 409342551 FQJRXOXQQDGWSE-AUWJEWJLSA-N 437.296 4.469 10 40 IICB CCOC(=O)c1c(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)sc2c1CC[C@@H](C)C2 16839588 YEGNUNXKEDOQEV-PXAZEXFGSA-N 444.578 4.491 10 40 IICB CCCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C(=O)N=C2S1 41083413 YOLLFRWZEYCNPG-LCJGLDDCSA-N 439.453 4.283 10 40 IICB CCOc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)ccc1OCc1ccccc1 206828192 MWNPMLJWFQNOJV-CPNJWEJPSA-N 443.546 4.340 10 40 IICB O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/C=C/c1ccccc1[N+](=O)[O-] 409101510 UKKGZBSQBBYASZ-FOOJRNJNSA-N 432.219 4.124 10 40 IICB CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC[C@@H]3C)c3ccccc23)SC1=S 409133862 NOEUEPUBLWXGEN-CCRNYGKSSA-N 427.595 4.263 10 40 IICB COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)cc1 223249143 RZBNZIYFFWCMDY-ZEQRLZLVSA-N 449.624 4.114 10 40 IICB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1O 223310420 LJMSHESNMDDLKS-GKVQRAMASA-N 448.592 4.346 10 40 IICB CCCCOC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O 409199532 DJUZKPSNCRPWAK-MOSHPQCFSA-N 442.537 4.482 10 40 IICB CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)NCc3ccc(C)cc3)C2=O)cc1 409210181 FJGKNFOKWQHFSE-STZFKDTASA-N 437.565 4.194 10 40 IICB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1OC 8819372 MBFIFDLSDFMVKX-YVLHZVERSA-N 448.953 4.197 10 40 IICB CCCCCN1C(=O)/C(=C/c2c(NCC(C)C)nc3ccc(C)cn3c2=O)SC1=S 13712854 RJVORJUGJLEWAM-BOPFTXTBSA-N 444.626 4.462 10 40 IICB O=C(O)CN1C(=O)/C(=C\c2ccc(OCc3c(F)cccc3Cl)cc2)SC1=S 23390310 BJQCMYXPNVXTJI-LZYBPNLTSA-N 437.901 4.344 10 40 IICB CN(Cc1ccc(N2CCOCC2)cc1)Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1 23936259 UOELUFKZTJLWMP-UHFFFAOYSA-N 446.576 4.120 10 40 IICB Cc1cc(/C=C2/C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)c(C)n1-c1ccccc1 41084844 IORCZNSHSQHKFO-FBIWUZAXSA-N 432.553 4.157 10 40 IICB Cc1cc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)c(C)n1-c1cccc(F)c1 59137408 GUBJSWHOOBEORD-DJKKODMXSA-N 447.422 4.469 10 40 IICB CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(C)cc2C)C1=O 408535202 XXDPRXINAZYBQL-LFIBNONCSA-N 442.313 4.207 10 40 IICB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccc(C(C)=O)cc2)C1=O 1164821 YKFGVPVMKIOLLM-UYRXBGFRSA-N 440.546 4.128 10 40 IICB CCCOc1cc(N(CC)CC)ccc1/C=C1\C(=O)NN(c2cccc(Cl)c2)C1=O 2771645 AWQSTPNSCBBQMY-DEDYPNTBSA-N 427.932 4.436 10 40 IICB CCC1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4cccs4)c(OC)c3)C(=O)N=C2S1 13899343 AEXNOXCRJFNNPU-HGWLQRDPSA-N 440.506 4.005 10 40 IICB COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1C 110422690 QRFHEKNXFHDTDM-DJKKODMXSA-N 442.606 4.452 10 40 IICB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c1C 222747409 VHCPEATUSKWHSG-SFTDATJTSA-N 437.525 4.008 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(C)nn(-c4ccc(C)cc4C)c3C)C2=O)cc1 408755787 FQHAMOFMQMTAIT-FYJGNVAPSA-N 428.492 4.081 10 40 IICB CCOc1cc(C[C@@H]2SC(=S)N(CCOC)C2=O)ccc1OCc1ccccc1F 409147006 VVYYFBOMQWIKDO-FQEVSTJZSA-N 449.569 4.221 10 40 IICB O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1cccc2nonc12 9252889 TXMBCPTUVNTURE-GDNBJRDFSA-N 444.925 4.106 10 40 IICB Cc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1cccc(F)c1 9293424 OHDHXBBINAYSEH-GPMQGLMRSA-N 435.406 4.415 10 40 IICB Cc1cc(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 9952034 LNJPXGKXMAKWKZ-UHFFFAOYSA-N 431.895 4.324 10 40 IICB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NCCc2ccc(O)cc2)cc1 17095408 BJWRODMJKAJTTB-MOHJPFBDSA-N 427.504 4.258 10 40 IICB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(N4CCCC4)c(F)c3)C2=O)o1 108134970 XWWMQFCHLSIFAU-WOJGMQOQSA-N 430.457 4.042 10 40 IICB CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)cc21 208444797 ALISMEKHKRPMBK-DEDYPNTBSA-N 431.561 4.458 10 40 IICB C[C@@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccc(N2CCCCC2)cc1 224383323 ICXIOWMIMAFQSF-LJQANCHMSA-N 441.597 4.098 10 40 IICB O=C1NC(=O)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1cccn1-c1ccc(O)cc1 409022141 GDBOKOIBZILYNT-LFIBNONCSA-N 442.258 4.156 10 40 IICB COc1ccc2ccc(OC)c(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c2c1 409140219 GNQAFMHBUDGCQL-DEDYPNTBSA-N 446.528 4.305 10 40 IICB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cl)cc3)C2=O)cc1OCC 409211160 NACUWRDCZBWVKP-SFQUDFHCSA-N 428.872 4.194 10 40 IICB C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S 2507809 VNJRMAWKUKKZSC-ZJTXEKFPSA-N 438.324 4.383 10 40 IICB CCC(=O)N1[C@@H](C)CN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(N(CC)CC)cc1 5945924 WOCGICRUBPNGLD-CYFREDJKSA-N 443.613 4.171 10 40 IICB COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)NC2=S)cc1 9471637 AQRHOGCGAPAWFD-HMAPJEAMSA-N 445.544 4.242 10 40 IICB CC(C)C1=NN2C(=N)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3Cl)C(=O)N=C2S1 41083201 JPPBUXWBIOBTRB-XUTOWMMVSA-N 442.888 4.314 10 40 IICB CC1CCN(C2=NN3C(=N)/C(=C/c4cc(Cl)c(O)c(Cl)c4)C(=O)N=C3S2)CC1 41084671 ZWWMTUAEJVUMKG-FYWBKXHBSA-N 438.340 4.008 10 40 IICB COc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NCc3ccco3)cc2c1 879878 NHMZVNGQRBQRSF-UHFFFAOYSA-N 433.533 4.207 10 40 IICB CCN1CCc2cc(/C=C3\C(=O)N(c4ccc(Br)cc4)C(=O)N=C3O)ccc21 17198091 AFMDZDBNWKQAKB-ATVHPVEESA-N 440.297 4.338 10 40 IICB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)N3CCCc4ccccc43)C2=O)cc1 1295450 UYASDLSKAHRBJN-ZHZULCJRSA-N 438.574 4.266 10 40 IICB COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2C)cc1 9193809 JBJVPGLZFCAZKS-GTKUIMRKSA-N 447.442 4.284 10 40 IICB O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccccc1[N+](=O)[O-] 33441454 UMOUXVNUFWRYDM-LFIBNONCSA-N 447.925 4.478 10 40 IICB Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)c2C)c1C 223620207 IPFZXDCSKFOXBH-BJKOFHAPSA-N 434.609 4.461 10 40 IICB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1Cl 408901539 YQNNGXSJJMIZQL-JYRVWZFOSA-N 449.688 4.086 10 40 IICB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc2ncccc2c1 408968490 ZNXDGHOKAUUBAI-PXLXIMEGSA-N 436.471 4.309 10 40 IICB COc1ccc(/C=C2\SC(=S)N(c3cc(C(=O)O)ccc3C)C2=O)c(OC)c1OC 8821589 KNUYISNLGCBQEB-YBEGLDIGSA-N 445.518 4.125 10 40 IICB C[C@H](C(=O)Nc1ccc2oc(=O)ccc2c1)N1C(=O)/C(=C\c2ccccc2)SC1=S 9430263 NZHKEBGQYPZAGL-VBEHJTROSA-N 436.514 4.021 10 40 IICB CC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccccc4Cl)cc3)C(=O)N=C2S1 9434448 UTYDIDVCPOOVQT-ONNBZHDSSA-N 440.912 4.437 10 40 IICB Cc1cccc(OCCOCCOc2cccc(/C=C3\SC(=S)N(C)C3=O)c2)c1 12285463 XZNYOKLJYPUUBT-HKWRFOASSA-N 429.563 4.300 10 40 IICB CCN1C(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)SC1=S 6178480 VMWRTHJXDGDFAF-WOJGMQOQSA-N 430.507 4.404 10 40 IICB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(c4ccccc4)C3=O)c2C)c1 8450532 PEYUYMUUTNCNAG-PXLXIMEGSA-N 429.476 4.368 10 40 IICB CC[C@H](C)c1ccc(OCCn2c(C)c(C=C3C(=O)NC(=O)NC3=O)c3ccccc32)cc1 9246777 VWZKGHARBWRKOV-INIZCTEOSA-N 445.519 4.292 10 40 IICB Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=CSC4=NC3=O)cc2Cl)cc1 33349115 OSINYSXDFMWGJE-HRIUQOHOSA-N 440.912 4.355 10 40 IICB COc1cc(/C=C2/SC(=S)N(c3cc(C(=O)O)ccc3C)C2=O)cc(OC)c1OC 35040716 AYOXCYJUGIPXFV-RQZCQDPDSA-N 445.518 4.125 10 40 IICB N=C1/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SC(c3cccs3)=NN12 41077895 IEKJBZGHYSCTTQ-HUMIGVHUSA-N 448.485 4.374 10 40 IICB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OC 408983588 MNRGIHZWVPEKIX-AUWJEWJLSA-N 449.290 4.376 10 40 IICB Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)NC2=S)c(C)c1 409128895 SUGLGNBMCIYZSN-PDGQHHTCSA-N 447.472 4.303 10 40 IICB Cc1cc(/C=C/C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)n1Cc1ccco1 8965596 DWCOQMRSFUWIMS-DHZHZOJOSA-N 433.552 4.255 10 40 IICB COc1cccc(-n2c(C)cc(C(=O)CSc3nnc(-c4ccncc4)n3C)c2C)c1 9422336 JFYQKMULHRVDRB-UHFFFAOYSA-N 433.537 4.268 10 40 IICB CCc1ccccc1N1C(=O)/C(=C\c2ccc(OCC(=O)O)c(Cl)c2)C(O)=NC1=S 16162433 NVDFNPRDZVKTGY-ZROIWOOFSA-N 444.896 4.037 10 40 IICB COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409347514 MLDALEWICOISCB-ODLFYWEKSA-N 442.562 4.161 10 40 IICB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)c1 9310899 RWQVRHAXALQHIN-PDGQHHTCSA-N 431.404 4.138 10 40 IICB COc1cccc([C@@H](c2ccc3c(ccc4c(C)cc(=O)oc43)c2O)N2CCOCC2)c1 13688623 UZPSXYDGWDBEIS-DEOSSOPVSA-N 431.488 4.390 10 40 IICB C/C(Nc1ccc(Cn2cnnc2)cc1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 17098864 PETRHZXMFGWGAU-CLCOLTQESA-N 434.503 4.463 10 40 IICB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 26593349 JPRWREQIVYNBBZ-YVLHZVERSA-N 444.490 4.044 10 40 IICB CCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OC 408537674 GTQMTXQGOIWLNN-RGEXLXHISA-N 438.480 4.026 10 40 IICB CN(c1ccccc1)N1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S 1769659 QSPYGQCVBGVSNK-PFONDFGASA-N 446.351 4.024 10 40 IICB COc1ccc(N2CCN(c3ncc4c(n3)C[C@H](/C=C/c3ccccc3)CC4=O)CC2)cc1 9264489 KVJGRERCXFIDDO-CQQBXOTJSA-N 440.547 4.270 10 40 IICB CCN(CC)CCCN[C@H](CC(=O)Nc1ccc(/N=N\c2ccccc2)cc1)C(=O)O 101090863 UQAQOSKGRVRIAS-MJAPIOKUSA-N 425.533 4.205 10 40 IICB CCCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 408805052 CTQWEXCDJACNDD-OQLLNIDSSA-N 449.290 4.457 10 40 IICB CCOc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c1 408870972 WJSJYQLQSRUCLU-NTEUORMPSA-N 449.688 4.168 10 40 IICB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1Cl 409012690 LDSKOIUVDXOMHA-VVBXCHJUSA-N 428.872 4.192 10 40 IICB Cc1ccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)C2=O)cc1 409240295 SHIAPVFFRSEUIM-WSDLNYQXSA-N 430.464 4.404 10 40 IICB CCN(CC)c1ccc(CN(C(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 54317471 QAOXONSVQHWZME-XPWALMASSA-N 446.657 4.287 10 40 IICB COc1ccc(N2CCN(C(=O)c3cccc4c(Cl)cccc34)CC2)c([N+](=O)[O-])c1 108022121 CACKGUCIOCTOAL-UHFFFAOYSA-N 425.872 4.372 10 40 IICB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccc(OC)cc1 223076795 GOGQHYQJTFVPHM-GOTSBHOMSA-N 436.581 4.198 10 40 IICB COc1ccc(N2CCN(C(=O)/C=C/c3ccc(-c4ccccc4)o3)CC2)c([N+](=O)[O-])c1 408575435 UXSJNYHVWOOKMP-FMIVXFBMSA-N 433.464 4.225 10 40 IICB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3cccnc3)c2C)C1=O 409244520 DXQDORSEQDCZLZ-WOJGMQOQSA-N 434.883 4.117 10 40 IICB COc1ccc2cc(CN(Cc3ccccc3)C(=S)NCc3ccco3)c(=O)[nH]c2c1 879630 ZJWSHKNAYCBAHX-UHFFFAOYSA-N 433.533 4.207 10 40 IICB Cc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=CSC4=NC3=O)cc2Cl)cc1 8411289 OSINYSXDFMWGJE-ONVPTEKUSA-N 440.912 4.355 10 40 IICB Cc1cc(C(=O)CSc2nnnn2C[C@H]2CCCO2)c(C)n1-c1ccc(F)c(Cl)c1 9548624 RJHYZRNYGZPPDP-OAHLLOKOSA-N 449.939 4.027 10 40 IICB CC1CCN(c2ccc([C@H](C)NC(=O)CCCN3C(=O)c4ccccc4C3=O)cc2)CC1 219138426 NPWVAGLJRNZOMF-IBGZPJMESA-N 433.552 4.177 10 40 IICB O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)cc2o1 223331682 ABZLUQNLESGXPU-UHFFFAOYSA-N 442.305 4.352 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(C)nn(-c4ccc(C)c(C)c4)c3C)C2=O)c(C)c1 408757701 OWVPEIPRYQCSGH-LPYMAVHISA-N 442.519 4.389 10 40 IICB Cc1ccc(OCCCOc2cccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)c2)cc1 2180345 FUIUMQBZUZFYHV-HKOYGPOVSA-N 428.488 4.304 10 40 IICB COc1ccc(Cl)c2ccc(/C=C3/SC(=S)N([C@H](C(=O)O)C(C)C)C3=O)nc12 9422057 RHFBJJRBXZQROT-SBNBMVPLSA-N 436.942 4.207 10 40 IICB N=C1/C(=C/c2cc(Br)ccc2O)C(=O)N=C2SC=C(c3ccccc3)N12 19996071 YGAUHFXFADPETH-PBGDOYKQSA-N 426.295 4.459 10 40 IICB CCN1C(=O)C(=Cc2cc3c(cc2C)N(CC)C(C)(C)C[C@@H]3C)C(=O)N(CC)C1=S 113792257 VPRBVSVJEVMZCH-INIZCTEOSA-N 427.614 4.486 10 40 IICB Cc1cc2c(cc1S(=O)(=O)Nc1nc(-c3ccc(Cl)cc3)cs1)oc(=O)n2C 223340773 DEPVLRGHQXPFGJ-UHFFFAOYSA-N 435.914 4.018 10 40 IICB COc1cc2c(cc1S(=O)(=O)NCc1ccc(N3CCC[C@@H](C)C3)cc1)CCCC2 225667372 RCKRFDGDUFOLBH-GOSISDBHSA-N 428.598 4.289 10 40 IICB Cc1cc(/C=C2\SC(=O)N(CC(=O)N(C(C)C)C(C)C)C2=O)ccc1N1CCCC1 409210409 JPWJFAICDNSCGR-MOSHPQCFSA-N 429.586 4.277 10 40 IICB COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2OC)cc1 1446534 PBBJIENWQFPQNY-UZYLVVNOSA-N 441.530 4.154 10 40 IICB COc1ccc(C(=O)N[C@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C(C)C)cc1 9963017 NKXQWGRPKKMJDG-DEOSSOPVSA-N 437.584 4.099 10 40 IICB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(OC)c2)c1C 223010775 GYSAKVJVZPTNHC-GOTSBHOMSA-N 436.581 4.117 10 40 IICB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(Cl)cc1 223577081 UEGAMSIKVLYMPU-RTWAWAEBSA-N 426.973 4.107 10 40 IICB COc1ccc2c(/C=C3\SC(=S)N(c4ccccc4F)C3=O)c(C(=O)O)[nH]c2c1 256055334 CFLYAXMXIKOPBK-SXGWCWSVSA-N 428.466 4.420 10 40 IICB O=C(Nc1cccc(N2CCOCC2)c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 584908800 NRMKOVBJXURJOH-UHFFFAOYSA-N 435.430 4.048 10 40 IICB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\c1ccc2c(c1)CCCN2Cc1ccccc1 2381492 YPCXQYSJFAIFCG-QJOMJCCJSA-N 443.547 4.434 10 40 IICB O=C1N=C(O)N(c2ccccc2)C(=O)/C1=C\c1cccn1-c1ccc(Br)cc1 8739848 TXBRGDQAWKETAB-AQTBWJFISA-N 436.265 4.111 10 40 IICB CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)N=C2O)cc1 8771974 SVDFVBJFWZLLGQ-QGOAFFKASA-N 447.403 4.124 10 40 IICB COCCn1c(C)cc(/C=C2/C(=O)N(c3ccc(C)c(Cl)c3)C(=S)N=C2O)c1C 9014180 IIWGFECSMLBPMH-LICLKQGHSA-N 431.945 4.385 10 40 IICB COc1cc2ncn(CC(=O)c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)c2cc1OC 13117209 VKWCEWUKOSGLLT-UHFFFAOYSA-N 445.519 4.321 10 40 IICB CN(c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1)S(=O)(=O)c1ccccc1 13632270 JMWHNWABFKHKFT-UHFFFAOYSA-N 449.576 4.042 10 40 IICB COc1cc(CN2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)ccc1N1CCCC1 19021093 WVHWZBYBJJTOFK-UHFFFAOYSA-N 425.548 4.062 10 40 IICB CCN(CC)c1ccc([C@H]2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 19927042 MJSXLZIHHJRQNB-XMMPIXPASA-N 436.581 4.109 10 40 IICB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(OC)c2)c1C 223010826 GYSAKVJVZPTNHC-PKTZIBPZSA-N 436.581 4.117 10 40 IICB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1O 223310379 LJMSHESNMDDLKS-GLYQVZKVSA-N 448.592 4.346 10 40 IICB CC[C@@H](C)OC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1CCCC2 102345781 ZRTARTCKEOUQGK-ZCHQSPEWSA-N 431.554 4.434 10 40 IICB Cc1ccccc1Cn1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 2223022 ZFAKSKBOQOQFJD-XKZIYDEJSA-N 439.471 4.253 10 40 IICB Cn1cc(/C=C2\SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)c2ccccc21 2393095 DFPQXESXYUVJLH-YVLHZVERSA-N 427.938 4.378 10 40 IICB COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(N4CCCC4=O)cc3)c2C)cc1 2663649 JBXXOPDGDWFICD-UHFFFAOYSA-N 446.503 4.269 10 40 IICB CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCCOc1ccccc1OC 6600580 GTAKLDGBVBXXMN-CPNJWEJPSA-N 431.535 4.041 10 40 IICB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cccc(Br)c1 8820260 AIEOBIGUSZIBSN-GXDHUFHOSA-N 437.340 4.272 10 40 IICB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1cccc(Cl)c1C 17095639 SUNBNBFQSLBGPA-STZFKDTASA-N 427.888 4.309 10 40 IICB CC(=O)NC1=NC(=O)/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)S1 32109992 AZOZGAYIOPMQAQ-LICLKQGHSA-N 431.311 4.135 10 40 IICB COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OC(C)(C)C 33780009 SBBLRYYBJPQMQS-LFIBNONCSA-N 445.313 4.096 10 40 IICB O=C1N=C(O)/C(=C/c2cc(Br)cc(Cl)c2O)C(=O)N1c1ccc(F)cc1 59106222 VBCLZQSKAYTVLA-SDQBBNPISA-N 439.624 4.454 10 40 IICB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccc(OC)cc1 223076982 GOGQHYQJTFVPHM-DHIUTWEWSA-N 436.581 4.198 10 40 IICB CCOc1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)cc1 49003910 YCFMKMYLJVUEIT-UHFFFAOYSA-N 430.501 4.004 10 40 IICB Cc1nc2sc(/N=N/c3ccc(Br)cc3)nn2c(=O)c1Br 13940472 IMLCFYDEDJDFDA-WUKNDPDISA-N 429.097 4.400 10 40 IICB O=C(O)Cn1cc(/C=C2\C(=O)N(c3ccccc3Cl)C(=S)N=C2O)c2ccccc21 15013568 GEJFKTJVNCKWAT-ZROIWOOFSA-N 439.880 4.051 10 40 IICB O=C1C[C@H](c2ccc(C(=O)O)cc2)c2c(c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)O1 96114597 LPCLDRMAASOYKL-OAHLLOKOSA-N 444.395 4.010 10 40 IICB biogenic CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)c1C 408968790 ZDODQTMONKHGIM-PXLXIMEGSA-N 443.503 4.332 10 40 IICB O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(Cc2ccccc2)c2ccccc12 713058 PRWQWYNQGGELGS-HZHRSRAPSA-N 435.483 4.352 10 40 IICB biogenic,in-vitro Cc1cc(/C=C2/C(=O)NC(=O)N(CCc3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1 2393333 INFQZPUNNLBNLO-JCMHNJIXSA-N 447.922 4.452 10 40 IICB COCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C(C(=O)OC)=C1C 8872521 UNNSOUOVQGTTRC-MOSHPQCFSA-N 428.916 4.067 10 40 IICB CC(C)Nc1cc(N2CCN(c3ccccc3)CC2)c(N)c2c1C(=O)c1ccccc1C2=O 8973474 YHPKOHMKOIYVQJ-UHFFFAOYSA-N 440.547 4.191 10 40 IICB CN(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)c2ccco2)cc1 13025180 LAXFOUIFRXSQPF-QHCPKHFHSA-N 435.524 4.381 10 40 IICB COc1ccccc1N1CC(=O)N(c2ccc(C)cc2)[C@H](c2ccc(N(C)C)cc2)C1=O 15412462 BDHLQMGPFJFUQI-RUZDIDTESA-N 429.520 4.191 10 40 IICB O=C1N=C(O)/C(=C\c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)C(=O)N1 26965324 RMDLBOCHWUZCFE-UHFFFAOYSA-N 426.837 4.364 10 40 IICB CCCCN1C(=O)NC(=O)/C(=C/c2ccc3c(c2)CCN3Cc2ccccc2Cl)C1=O 33897654 XWKMFOXWIQEBNY-RGEXLXHISA-N 437.927 4.165 10 40 IICB CC1=CC2=NC(=O)/C(=C/c3cn(CCOc4cccc(C)c4)c4ccccc34)C(=N)N2O1 41078271 JUWIWLRUEMPBNV-MALGGUPZSA-N 426.476 4.479 10 40 IICB Cc1c(Cl)cccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3O)[C@H]2C1=O 102722819 OBCHLMTVSZBEEC-YPAWHYETSA-N 434.879 4.405 10 40 IICB CCCCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O 107966534 VJWTZBQGHASDGL-ATVHPVEESA-N 443.843 4.094 10 40 IICB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OC(C)C 408798958 JLQKHENZTGHRKU-XNTDXEJSSA-N 428.872 4.111 10 40 IICB COc1ccccc1OCCCOc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1OC 2882649 SNRBKDBJZXJHBA-ZHZULCJRSA-N 445.562 4.383 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C2=O)cc1 4209134 OJCQEFCIVGVPAC-HYARGMPZSA-N 430.435 4.380 10 40 IICB COc1ccc(Cl)c2ccc(/C=C3/SC(=S)N([C@@H](C(=O)O)C(C)C)C3=O)nc12 9422058 RHFBJJRBXZQROT-FCONWMNKSA-N 436.942 4.207 10 40 IICB Oc1ccccc1CN(C[C@@H]1CCCO1)c1cc(C(F)(F)F)nc(-c2cccnc2)n1 95446142 ZWWKLMGERZIEPU-KRWDZBQOSA-N 430.430 4.449 10 40 IICB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(O)cc2)c1C 223055397 FQQCGNQWTDUBLE-DHIUTWEWSA-N 436.581 4.204 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OC(C)C 408805569 GTZAFAWHRUOMDZ-RVDMUPIBSA-N 428.872 4.192 10 40 IICB Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)NC2=S)c(C)c1 409135604 PUMOBZUHHBITJR-PDGQHHTCSA-N 446.484 4.093 10 40 IICB COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc(C)c3)c2C)C(=O)NC1=S 409166338 DUYIEAOPLAORKB-XSFVSMFZSA-N 445.544 4.242 10 40 IICB COC(=O)c1ccccc1-n1c(C)cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c1C 409242223 VTABEGOKJQVAAL-HYARGMPZSA-N 443.503 4.282 10 40 IICB COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=S 1238454 JTKQTRYMSPMKHN-YVLHZVERSA-N 433.938 4.293 10 40 IICB CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(OC)c(Br)c3)C2=O)cc1 1511669 HLUMNPLHFJLPBU-XNTDXEJSSA-N 445.269 4.363 10 40 IICB Cc1cccc(-c2nnc(S)n2CC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 10963095 HATXUEIYUOUWMN-UHFFFAOYSA-N 435.597 4.191 10 40 IICB CC(C)c1ccc(OCCn2cccc2/C=C2\C(=O)N=C(O)N(Cc3ccco3)C2=O)cc1 17196462 UESCGDMRQAJHMB-PXLXIMEGSA-N 447.491 4.150 10 40 IICB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 34718417 GPEYNNMAKAAPCF-UNOMPAQXSA-N 449.850 4.289 10 40 IICB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\NC(=O)Nc1ccc(C)c(C)c1 100148452 UZKJYAPCAWGOGK-WQRHYEAKSA-N 427.302 4.494 10 40 IICB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccc(Cl)cc1 205871624 ZRXXRCZVQFQOAC-XDHOZWIPSA-N 443.956 4.406 10 40 IICB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c1C 222747292 VHCPEATUSKWHSG-RTWAWAEBSA-N 437.525 4.008 10 40 IICB CN(C)c1ccc(CNC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1 224103436 CSCAUTSDBLHNAP-UHFFFAOYSA-N 443.956 4.137 10 40 IICB Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1F 2253311 RVSQZGFCEIJKOK-PDGQHHTCSA-N 437.471 4.204 10 40 IICB O=C(NN1C(=O)/C(=C/c2ccccn2)SC1=S)C(c1ccccc1)c1ccccc1 6142204 JPLFTWVNNAGOJC-CYVLTUHYSA-N 431.542 4.146 10 40 IICB COc1ccc(N2C(=O)CN(c3c(C)cccc3C)C(=O)[C@H]2c2ccc(N(C)C)cc2)cc1 9129584 VQVGXPILKJTVKX-AREMUKBSSA-N 443.547 4.499 10 40 IICB COc1ccc(N2CCN(C(=O)CCS[C@H]3CCc4ccccc4N=C3O)CC2)cc1 12325138 QIBUKKLDEHDZKQ-QFIPXVFZSA-N 439.581 4.070 10 40 IICB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3OC)C2=O)cc1 409046506 LAEIGRTZORYQBR-OQLLNIDSSA-N 435.263 4.067 10 40 IICB COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccccc3F)c2C)C(=O)NC1=S 409169285 WRWCMNKKWYVYRS-GHRIWEEISA-N 449.507 4.073 10 40 IICB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1Oc1nc(Cl)ncc1F 409329254 CVYJQDWEQHHPAZ-QPEQYQDCSA-N 425.894 4.291 10 40 IICB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O)c1ccc(Cl)cc1 409354695 BGLKMTWAKCYEOB-DEDYPNTBSA-N 442.924 4.096 10 40 IICB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3cc4ccccc4o3)C2=O)c(C)n1-c1ccccc1 9477522 XNGLHBWHZAMEAS-AREMUKBSSA-N 441.487 4.490 10 40 IICB CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])N2CCc3ccccc3C2)cc1 36653783 OGSZHSAKCWMMAG-RUZDIDTESA-N 444.535 4.190 10 40 IICB CCCCN1CCc2cc(/C=C3/C(=O)N=C(S)N(c4ccccc4OC)C3=O)ccc21 103128451 CHSRKJSTUBWURM-SDXDJHTJSA-N 435.549 4.100 10 40 IICB Cc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223265386 LLUBPCOQJKKEAH-DNQXCXABSA-N 433.625 4.332 10 40 IICB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1Cc1ccccc1F 408865046 AURJGUNPYGQRPH-DEDYPNTBSA-N 444.462 4.400 10 40 IICB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)c2C)cc1Cl 409202593 UZZRQKFCYWXNLB-ODLFYWEKSA-N 425.916 4.460 10 40 IICB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C2=O)c1 13570153 BAWHZXAVGAFSAV-XDHOZWIPSA-N 431.404 4.138 10 40 IICB CCc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc1 16837458 WKWBVXIEAAWKQZ-AREMUKBSSA-N 449.620 4.397 10 40 IICB C[C@H](Oc1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3Cl)C(=O)N=C2O)cc1)C(=O)O 33149416 QBNRXLOFIVAIOK-CEITULEQSA-N 449.246 4.352 10 40 IICB COC(=O)Cn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1cccc(Cl)c1 44085964 QIAVUAHAVHZJGE-UHFFFAOYSA-N 429.929 4.416 10 40 IICB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 408807743 FCKBCTDVLDEPFT-UHFFFAOYSA-N 449.290 4.015 10 40 IICB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OC 408814573 RQIWNVCPBMGTDD-MHWRWJLKSA-N 428.872 4.112 10 40 IICB Cc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 409089502 JJBUVQOWOLOLSX-NPBUNYCVSA-N 443.550 4.383 10 40 IICB CCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc1OC 409343092 DJDVYYQPASTWRD-ATVHPVEESA-N 448.591 4.482 10 40 IICB O=C1N=C(S)N(C2CC2)C(=O)/C1=C\c1ccc2c(c1)CCN2Cc1ccccc1Cl 1278625 GLZQZHFWOGIQEB-PDGQHHTCSA-N 437.952 4.103 10 40 IICB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)c1 101004937 VVTKWUUSERNDRC-SMIHKQSGSA-N 427.504 4.112 10 40 IICB CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)cc21 223565562 UYGMVXZOQAFYJN-NHCUHLMSSA-N 443.016 4.332 10 40 IICB CN(C)c1ccc(/C=C/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 409230977 HLBJJMUYSWMIAR-PVMIXHCPSA-N 445.466 4.159 10 40 IICB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3Cc3ccccc3C)C2=O)cc1Cl 2219746 XBVPIUXXYGTZTF-UNOMPAQXSA-N 449.894 4.173 10 40 IICB COc1ccc2nc(/C=C3/SC(=S)N(c4ccc(O)c(C(=O)O)c4)C3=O)ccc2c1 9420475 WNPDXSOOKJCXBN-GIJQJNRQSA-N 438.486 4.053 10 40 IICB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCCN1c1ncnc2ccccc12 12633599 ZVSVDGLXQLQDJD-DEOSSOPVSA-N 429.568 4.248 10 40 IICB COc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c1C 33888686 UYOMLOSTJBWXIH-YXBAXSDQSA-N 445.504 4.363 10 40 IICB CC(/C=C1\SC(=S)N(CC(=O)Nc2ccc(C(=O)O)cc2)C1=O)=C\c1ccccc1 8820631 HCWAVBMGVSAADG-UJUKKVGJSA-N 438.530 4.171 10 40 IICB CCOc1ccc(/C=C2/SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)cc1OC 27530344 CUFBKZRWYROHKT-XDHOZWIPSA-N 428.535 4.458 10 40 IICB Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)c1 223265638 ZGZPSWUFQJZAET-DNQXCXABSA-N 433.625 4.332 10 40 IICB CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\Nc1ccc(O)cc1C 15931903 WTVOQGXWIHTBKS-YBEGLDIGSA-N 433.249 4.024 10 40 IICB COc1ccc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1 16914158 IZURPXBFTJJFPZ-HHHXNRCGSA-N 443.591 4.220 10 40 IICB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)C1=O 408960741 IJDYALMQAHSBKX-CPNJWEJPSA-N 444.443 4.182 10 40 IICB CCCc1cc(=O)oc2c(CN(CCOC)C[C@@H]3CCCN4CCCC[C@H]34)c(O)ccc12 524729124 DVXFOPIDPZWHRF-NZQKXSOJSA-N 442.600 4.164 10 40 IICB biogenic [N-]=[N+]=NCCOCCOCCOCCNC(=O)c1ccc2c3c4c(ccc13)C=CCC4=CC2 1848432492 XVKZTMTWYFYOEO-UHFFFAOYSA-N 448.523 4.286 10 40 IICB Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)C(=O)N(c3ccccc3)C2=S)cc1 1424011 QGMSUAWVVLGHSK-DEDYPNTBSA-N 442.496 4.472 10 40 IICB C[C@@H](C(=O)N1CCCC[C@H]1c1cccnc1)N1C(=O)/C(=C/c2ccco2)SC1=S 9433865 JOYYRXNCKHUNDT-JIUVDOBVSA-N 427.551 4.018 10 40 IICB biogenic CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1 28336391 FILXRLJKKVWGNA-UHFFFAOYSA-N 449.576 4.042 10 40 IICB O=C1/C(=C\c2cc3ccccc3nc2N2CCOCC2)SC(=S)N1Cc1ccco1 102988180 JSMNYRRCLBXUNS-CPNJWEJPSA-N 437.546 4.066 10 40 IICB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 408799820 LPRKHWASPZWPED-OQLLNIDSSA-N 449.290 4.457 10 40 IICB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1O 408903303 XCEHODDUZIOEOT-OQLLNIDSSA-N 448.260 4.202 10 40 IICB O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C\c1cn(Cc2ccccc2)c2ccccc12 9111207 PRWQWYNQGGELGS-HAHDFKILSA-N 435.483 4.352 10 40 IICB CCN(CC)c1ccc(N/C=C2\C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)cc1 18062735 OQYZHPHYUOCPAN-LTGZKZEYSA-N 428.492 4.265 10 40 IICB CCOc1cc(/C=C2\C(=O)N(c3ccc(C)c(Cl)c3)C(=O)N=C2O)cc([N+](=O)[O-])c1O 38185490 ITHKKRRVOGERDQ-MLPAPPSSSA-N 445.815 4.168 10 40 IICB COC(=O)C[C@H](c1ccsc1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96222334 UTWPTPMKMRQBNF-CQSZACIVSA-N 438.457 4.333 10 40 IICB biogenic O=C(NCc1ccc(N2CCCC2)cc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 225120390 MJXAXAVXBHHAPY-QJOMJCCJSA-N 431.561 4.436 10 40 IICB COc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OC 409347400 PWLOFJDLBPGFOW-APSNUPSMSA-N 435.910 4.492 10 40 IICB CN(C)c1ccc(CNC(=O)CSc2nccn2-c2ccc(Br)cc2)cc1 8719869 AIDZVBBMDOSWRX-UHFFFAOYSA-N 445.386 4.109 10 40 IICB CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1cccc(OC(=O)c2cccs2)c1 16156203 ZHQHKCJWMGYQIQ-UYRXBGFRSA-N 432.457 4.472 10 40 IICB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(C(F)(F)F)c1 16398746 QOZPUQBCKRSMMQ-ZROIWOOFSA-N 439.187 4.134 10 40 IICB Cc1cccc(OCCOCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)c1 27531638 AMSYMXZKQHJRNO-HKWRFOASSA-N 429.563 4.300 10 40 IICB O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc2oc(=O)ccc2c1 33542466 RNWJBQAOLDSFIL-LDADJPATSA-N 436.514 4.023 10 40 IICB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OC(C)C 409331811 OCAGNLSIKHAWSU-GZTJUZNOSA-N 448.591 4.480 10 40 IICB COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)SC1=S 1276997 ORPCSXKGDSGQEN-YQNUULROSA-N 443.546 4.037 10 40 IICB Cc1cc(C)c(N2C(=O)N=C(O)/C(=C\NN3CCCC[C@@H]3c3cccnc3)C2=O)c(C)c1 8971942 PYXQLMXUCZHQES-IAERKFLBSA-N 433.512 4.046 10 40 IICB CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(O)c(Br)c3)C2=O)cc1 9427541 QHTIXXPZKASWSP-YUSFRKCESA-N 443.297 4.335 10 40 IICB CCCCC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc2c1CC[C@H](C(C)(C)C)C2 40476950 JMKUTAVSNLTLJD-LBPRGKRZSA-N 447.626 4.099 10 40 IICB COc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(SC)SC3=NC2=O)c1C 41083543 XUUCBDBMKQEFQN-QBILMKHKSA-N 425.539 4.042 10 40 IICB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C 222809885 LEDGJEGNZVBURQ-YADHBBJMSA-N 434.565 4.268 10 40 IICB COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)cc1 223270056 AIOVIJKEGWHLSL-ZEQRLZLVSA-N 449.624 4.032 10 40 IICB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1Cc1cccc(F)c1 408869608 SLSOKQHKEXFNKT-UYRXBGFRSA-N 448.425 4.231 10 40 IICB COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(C3CCCCC3)c2C)C(=O)NC1=S 409172744 HVPJBGNJMXGMPP-XMHGGMMESA-N 437.565 4.450 10 40 IICB COc1ccc(N2CCN(C(=O)c3[nH]c4ccc(Br)cc4c3C)CC2)cc1 9129608 JEVOETHHNQEUSE-UHFFFAOYSA-N 428.330 4.210 10 40 IICB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1cc(C)ccc1C 41078510 YSUFZPDENMSAMP-ATUMBRMBSA-N 447.491 4.220 10 40 IICB CCN1C(=O)/C(=C/c2ccc(OCCOc3cccc(OC)c3)c(OC)c2)SC1=S 2958883 DXHDHBDRNCBFCQ-MOSHPQCFSA-N 445.562 4.383 10 40 IICB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cc(Cl)ccc1O 8820355 SDNOHAYMSDEKLI-GUSDSWBTSA-N 430.938 4.442 10 40 IICB Cc1cc(=O)oc2cc(OCC(=O)c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)ccc12 11482503 VBFGORKTKXLVMI-UHFFFAOYSA-N 431.444 4.499 10 40 IICB CCc1ccc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4ccc(C(=O)OC)o4)C3=O)c2C)cc1 108268168 ZZQRGZPXUHHWBY-BKUYFWCQSA-N 447.491 4.129 10 40 IICB COc1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4ccncc4)n3C)c2C)cc1 9120289 MPMWIQNCSVWNPB-UHFFFAOYSA-N 433.537 4.268 10 40 IICB Cc1cccc(OCCCOc2cccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2)c1 13942586 MTADTLZWHSWHMB-MOHJPFBDSA-N 428.488 4.304 10 40 IICB COc1cc(/C=C2\SC(Nc3cc(Cl)ccc3C)=NC2=O)ccc1OCC(=O)O 33286186 MUTJYUVDDKIJNR-IUXPMGMMSA-N 432.885 4.203 10 40 IICB CC1=CC2=NC(=O)/C(=C/c3ccc(OCc4ccc5c(c4)OCO5)c(Cl)c3)C(=N)N2O1 41078314 YUAZCLROLNSJQA-WCLBCPNKSA-N 437.839 4.098 10 40 IICB Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)c2C)c1C 223620125 IPFZXDCSKFOXBH-DNQXCXABSA-N 434.609 4.461 10 40 IICB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1OC 408819887 YULMLOXGDCSMJP-MHWRWJLKSA-N 442.899 4.421 10 40 IICB CCN(CC)c1ccc(CN(C(=O)c2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 8385343 SNSOHDOIANXFMY-LJQANCHMSA-N 434.989 4.016 10 40 IICB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2ccc(N3CCCCC3)cc2F)C1=O 9264664 BDYJMCAZZVILHX-ATVHPVEESA-N 441.890 4.444 10 40 IICB COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(SC)SC4=NC3=O)c2C)cc1 9293367 SIXYGUMXIVNVHF-YGHDLIBZSA-N 425.539 4.042 10 40 IICB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=O)c1 13570871 NRKGKUGNRANRLD-UDWIEESQSA-N 445.431 4.446 10 40 IICB CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S 40567403 BKNASTUNAFRRDY-KWZJRMENSA-N 437.539 4.493 10 40 IICB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1Cc1cccc(F)c1 408883886 RROUOHHBIQSQAT-KGENOOAVSA-N 430.435 4.092 10 40 IICB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(N4CCCCC4)cc3F)C2=O)o1 33662265 XRKGPDMGFASCHI-YBFXNURJSA-N 444.484 4.432 10 40 IICB O=C1C[C@@H](c2ccc3c(c2)OCO3)c2c(c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)O1 96115719 WFJSPEUJUTTXLH-AWEZNQCLSA-N 444.395 4.041 10 40 IICB biogenic COc1cccc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)c1OC 408736872 AKCRQAOBLSWHPH-HMMYKYKNSA-N 429.432 4.447 10 40 IICB CN(C)CCCNc1cc(NCc2ccccc2)c(N)c2c1C(=O)c1ccccc1C2=O 9410113 SVVPKEYYBXROGB-UHFFFAOYSA-N 428.536 4.020 10 40 IICB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(c3ccccc3)C(=O)N=C2O)o1 16215033 OUYLNXHZDVZGHC-ATVHPVEESA-N 433.376 4.370 10 40 IICB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cc4c(s3)CCCCCC4)cc2)C1 65518077 XPRMMWIHEZNUAP-IBGZPJMESA-N 425.598 4.039 10 40 IICB COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCC(=O)O 409339268 GJXICJVZHFWINX-RQZCQDPDSA-N 447.559 4.286 10 40 IICB CC(C)CN1C(=O)/C(=C/c2c(Oc3ccccc3)nc3ccccn3c2=O)SC1=S 2204251 KQIKEVGDVGWTQJ-ATVHPVEESA-N 437.546 4.344 10 40 IICB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C2\SC(=S)N(C)C2=O)cc1 13895993 QHSOOPQSFKYQGL-YBEGLDIGSA-N 439.967 4.247 10 40 IICB O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 27229499 SUWYURXZBMCSLG-APSNUPSMSA-N 441.450 4.213 10 40 IICB COc1ccc2oc(C)c(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)c2c1 84026952 ANFWYBWWPBZUGZ-HUUCEWRRSA-N 426.488 4.433 10 40 IICB CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)o2)cc1 408858259 RBRSJILNDCJHKM-FYJGNVAPSA-N 428.444 4.432 10 40 IICB COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3OC)SC2=S)c(OC)c1 35040686 ZBUYQCBEDYXXIN-LICLKQGHSA-N 447.534 4.135 10 40 IICB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)Nc2ncccc2C)cc1 103922152 SSGFISQIIDZYIR-PGMHBOJBSA-N 443.463 4.444 10 40 IICB Cc1ccnc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)c1 223233603 REOBKNNGZHIFTL-ZEQRLZLVSA-N 448.640 4.117 10 40 IICB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2)c1C 223687187 OCINIGGKFGVGMO-DNQXCXABSA-N 448.592 4.333 10 40 IICB Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCCC3)cc2)cc1N1CCCCS1(=O)=O 224399944 XRGRQXFKMIQTCO-IBGZPJMESA-N 441.597 4.016 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OC(C)C)C2=O)cc1 408804153 WLSOXCDSIPFHQJ-GZTJUZNOSA-N 443.297 4.211 10 40 IICB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 408893910 OJEPYZDJNPAUPW-NVNXTCNLSA-N 448.313 4.183 10 40 IICB COc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(Cc2ccc(Cl)cc2)C1=O 409236029 FBGPZIPYCNULQL-NDENLUEZSA-N 444.940 4.422 10 40 IICB COc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Cl 1198430 AHJBFKNSUPJHGF-SDQBBNPISA-N 441.723 4.487 10 40 IICB O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)N1CCCCC1 8820009 XKKIVEKFVUZXPQ-RGEXLXHISA-N 446.594 4.189 10 40 IICB CC(/C=C1\SC(=S)N(NC(=O)c2ccccc2[N+](=O)[O-])C1=O)=C\c1ccccc1 8837208 BYMVPSWDCRIMSD-YMGXUNRSSA-N 425.491 4.087 10 40 IICB COc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1NC(=O)COc1ccccc1 36357648 NHPJRMSWOSTFAY-UHFFFAOYSA-N 442.519 4.473 10 40 IICB COc1ccc(Br)cc1/C=C1/C(=O)N(c2ccccc2F)C(=S)N=C1O 59136284 RZUMQCVVNWSAQA-FMIVXFBMSA-N 435.274 4.268 10 40 IICB COc1ccccc1[C@H]1CC(=O)Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c21 96115967 DFEUHEKRQHBFFD-CQSZACIVSA-N 446.411 4.026 10 40 IICB biogenic Cc1cccc(N2C(=O)C[C@@H](N3C(=O)/C(=C/C=C/c4ccccc4)SC3=S)C2=O)c1 100872187 QKENTNWPHIRJDI-ZVIIWEILSA-N 434.542 4.085 10 40 IICB COc1cccc(OCCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2OC)c1 2882372 JYMIVKIBDKEKQX-MOSHPQCFSA-N 445.562 4.383 10 40 IICB Cc1ccc(-c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)o2)c(Br)c1 9130340 LSWBAHHPSLYGGY-AUWJEWJLSA-N 438.324 4.303 10 40 IICB CC[C@@H](C)c1ccccc1OCCn1c(C)c(C=C2C(=O)NC(=O)NC2=O)c2ccccc21 9246766 YWASZOPHXWIVJM-MRXNPFEDSA-N 445.519 4.292 10 40 IICB CCc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C3=O)o2)cc1 9884856 QLZUQKHPLKDSDM-VUVCFOEZSA-N 445.518 4.028 10 40 IICB COc1ccc(N2CCN([C@H](CNC(=O)Nc3cccs3)c3ccco3)CC2)cc1 38619891 JGBADHDQEGKBFT-LJQANCHMSA-N 426.542 4.035 10 40 IICB CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\Nc1cccc2nsnc12 100842721 LYUVNJYEEIVOCT-LCYFTJDESA-N 428.315 4.481 10 40 IICB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(Cc2cccc(F)c2)c2ccccc12 13535484 GCTADRSAJQBNRB-CIAFOILYSA-N 443.434 4.084 10 40 IICB O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 33341648 RQWNRRHPIXDKRB-KGENOOAVSA-N 449.304 4.490 10 40 IICB COc1ccc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc1CN1CCCCC1 100469102 BYXMGZWNQSQQSC-PXLXIMEGSA-N 433.508 4.185 10 40 IICB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2F)o1 408695109 PMXAMUHQKNZDKW-XNTDXEJSSA-N 447.260 4.253 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1OC(C)C 408915500 WLSOWSWRICZSBU-LZYBPNLTSA-N 446.862 4.331 10 40 IICB O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)NN1C(=O)CSC1=S 32594762 AAOFVTLBNJGMET-UHFFFAOYSA-N 426.350 4.171 10 40 IICB CCc1cccc2c(/C=C3\SC(=S)N(C)C3=O)cn(CC(=O)N3CCCC[C@@H]3C)c12 409135335 UMEVUHDRFKAFRJ-CCRNYGKSSA-N 441.622 4.436 10 40 IICB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1 409408474 QUYUICXTGMPPAJ-MOSHPQCFSA-N 434.879 4.389 10 40 IICB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1cccc(C)c1 409408562 RHPLUFBGLKSALQ-JCMHNJIXSA-N 428.488 4.434 10 40 IICB CCc1ccc(S(=O)(=O)Nc2ccc3c4c(cc(=O)n3C)-c3ccccc3C(=O)c24)cc1 3635741 UNICSFNMNHZASF-UHFFFAOYSA-N 444.512 4.113 10 40 IICB O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 13669470 FQBDLNOLFTXJGV-UHFFFAOYSA-N 435.549 4.018 10 40 IICB Cc1cc(C(=O)[C@H](C)Sc2nc(N)cc(N)n2)c(C)n1-c1ccc(OC(F)F)cc1 16049590 KDIBALIMLFPJAH-LBPRGKRZSA-N 433.484 4.013 10 40 IICB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C 35200361 KFTBYJDQZHCXJK-QPHMKDBKSA-N 434.536 4.254 10 40 IICB COc1ccc(N2CCN([C@@H](C)C(=O)NC(c3ccccc3)c3ccccc3)CC2)cc1 57548207 FKHKPNMJLYAPMX-NRFANRHFSA-N 429.564 4.112 10 40 IICB O=C1OC2(CCCC2)OC(=O)C1=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 58866012 AMYRFLPFRQWPEN-UHFFFAOYSA-N 440.364 4.049 10 40 IICB CC1(C)OC(=O)C(=Cc2cc([N+](=O)[O-])ccc2N2CCC(c3ccccc3)CC2)C(=O)O1 59488645 JRTLEGRAIPOWRG-UHFFFAOYSA-N 436.464 4.198 10 40 IICB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)C2=O)o1 108945318 WBNKMUQDYMWOJC-NDENLUEZSA-N 447.491 4.183 10 40 IICB CCOC(=O)COc1ccc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc1OCC 208656479 ZEISXCRVYWTVRG-UYRXBGFRSA-N 426.494 4.110 10 40 IICB Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)c2C)c1 223620479 WFPDZROUEJVTBR-ZEQRLZLVSA-N 434.609 4.461 10 40 IICB CN(C)c1oc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1Br 408974475 ZMEFFGJMOZACOR-WQLSENKSSA-N 428.208 4.457 10 40 IICB COc1ccccc1N1C(=O)/C(=C/c2ccc(I)o2)SC1=S 409348310 SCKGBKISTOLGKW-WQLSENKSSA-N 443.287 4.299 10 40 IICB N=C1/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)C(=O)N=C2SC=NN12 9659469 HYRZFFUPWPPPJE-TVJXHFOGSA-N 441.310 4.277 10 40 IICB COc1ccc(NC(=O)COC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1OC 9665565 APBRPNYZJQPEBD-UHFFFAOYSA-N 426.444 4.046 10 40 IICB CCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c1C 409096491 LFNRDGQCLPHRMU-MHWRWJLKSA-N 446.370 4.027 10 40 IICB CCOC(=O)c1ccc(N/C=C2/SC(=S)N(CCOc3ccccc3)C2=O)cc1 1442629 XDWYSIRWWXNRDX-NBVRZTHBSA-N 428.535 4.056 10 40 IICB O=C(CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ccccc1 2283271 SBNABCSNAPGHAH-GDNBJRDFSA-N 433.352 4.289 10 40 IICB Cc1cc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)n1-c1ccc2c(c1)OCCO2 2639885 LWZODAXDRAWPHT-UHFFFAOYSA-N 437.477 4.483 10 40 IICB Cc1cc(-c2csc(-c3ccc(O)cc3)n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 16940698 AEUNDFUZSKNWHT-UHFFFAOYSA-N 425.535 4.238 10 40 IICB CCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc1 408901371 XMUOIYUMWGXNKT-ATVHPVEESA-N 443.297 4.213 10 40 IICB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NCCc2ccc(O)cc2)cc1 9060284 YZFUTKLBRRKFMK-ULJHMMPZSA-N 445.494 4.397 10 40 IICB CC(C)[C@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C\c2cccs2)SC1=S 9348224 DJNVJABGFYWXHZ-XCMFGDQWSA-N 446.619 4.038 10 40 IICB COc1ccc(N2CCN(C(=O)c3sc4nc5ccc(OC)cc5cc4c3N)CC2)cc1 13503431 NOWNQSKTHBKHQW-UHFFFAOYSA-N 448.548 4.011 10 40 IICB COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1cc(OC)ccc1OC 14413775 OVGIAALZHIPOGG-YBEGLDIGSA-N 431.847 4.374 10 40 IICB CN1CCCc2cc([C@H](CNC(=O)c3ccc(Br)cc3)N3CCCC3)ccc21 16838224 ITLMSURIFCNGNQ-QFIPXVFZSA-N 442.401 4.398 10 40 IICB CCOc1ccc(-c2[nH]ncc2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1Cl 71011366 QYNJBHCCBKJMKS-UHFFFAOYSA-N 440.931 4.100 10 40 IICB O=C1N=C(N2CCN(c3cccc(C(F)(F)F)c3)CC2)S/C1=C/c1ccc(O)cc1 9009500 FAORAXVXIFVYNL-LDADJPATSA-N 433.455 4.204 10 40 IICB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccccc1OCc1ccccc1 9846610 GHEWFEXLRFYMMF-FLVGQNKLSA-N 433.504 4.117 10 40 IICB CCc1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C3=O)o2)cc1 12414298 QLZUQKHPLKDSDM-ZCQLHAAUSA-N 445.518 4.028 10 40 IICB CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(OC(=O)c2cccs2)cc1 13122224 XLEMZFNFVOYJAC-UYRXBGFRSA-N 432.457 4.472 10 40 IICB CCN(CC)c1ccc(CN(C)C(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 31497079 UUHYAPPMYRRRRW-UHFFFAOYSA-N 425.617 4.214 10 40 IICB C[C@H](C(=O)Nc1ccc2oc(=O)ccc2c1)N1C(=O)/C(=C/c2ccccc2)SC1=S 33548578 NZHKEBGQYPZAGL-NCUBORBFSA-N 436.514 4.021 10 40 IICB CC1=CC2=NC(=O)/C(=C/c3ccc(OC(=O)c4ccc(F)cc4)c(Cl)c3)C(=N)N2O1 41078405 RUGLICUPILMACG-BEBMFCDBSA-N 425.803 4.149 10 40 IICB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(Cn2cnnc2)cc1 101152995 NVDIYYXRILVHQP-ZHZULCJRSA-N 429.509 4.045 10 40 IICB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 104848413 QBRGKQUDIIQIBO-FYJGNVAPSA-N 425.444 4.474 10 40 IICB Cc1ccc(/N=N\c2ccc(O)c(/C=C/c3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])c2)cc1Cl 110094605 QLCVRSYQTFJQOK-TZCCRGFNSA-N 427.804 4.225 10 40 IICB CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@H](CC)N32)ccc1N1CCOCC1 260755834 BVMRVIINSYDKQB-CDNPAEQRSA-N 438.597 4.296 10 40 IICB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\Nc3ccc(Br)c(C)c3)C2=O)c(C)c1 408536050 VLOISXIOUQUKDC-MHWRWJLKSA-N 442.313 4.262 10 40 IICB CCOC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)SC1=S 1277117 VDIDVHBLAKDJNZ-UNOMPAQXSA-N 443.546 4.039 10 40 IICB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1cccc(F)c1 108239765 AGSTYLFBBWVTRQ-STZFKDTASA-N 432.451 4.265 10 40 IICB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(C4CCCCC4)c3C)C2=O)cc1 9323602 IOJWFASFEASWMA-HYARGMPZSA-N 434.540 4.450 10 40 IICB C[C@H](C(=O)N1CCCC[C@@H]1c1cccnc1)N1C(=O)/C(=C\c2ccco2)SC1=S 33583356 JOYYRXNCKHUNDT-VCBQPIDTSA-N 427.551 4.018 10 40 IICB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)NC2=S)cc1 408743095 UODVZCVTXDGJKM-XDHOZWIPSA-N 447.472 4.303 10 40 IICB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(Cc2cccc(F)c2)c1 408877689 TUBPIVAWWROVHR-HZHRSRAPSA-N 444.462 4.400 10 40 IICB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cc(C)on3)C2=O)cc1 8819885 LSNYEMLORQFWBB-LGMDPLHJSA-N 445.566 4.392 10 40 IICB COc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)cc(OC)c1OC 100540939 DJJORHKATGMRML-CXUHLZMHSA-N 431.286 4.281 10 40 IICB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1ccc(O)cc1 223227622 ZRPICFQVUYUOHV-RPWUZVMVSA-N 449.624 4.119 10 40 IICB COC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1C 223823984 OZRMVAAGDMAYBA-UHFFFAOYSA-N 443.908 4.467 10 40 IICB CC[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C(=O)OC(C)C)C1 225774796 OUQDCSTZHCGKIT-UKCJKJFHSA-N 431.554 4.290 10 40 IICB NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 409216731 KWYHQCZVJJGQPO-VIZOYTHASA-N 439.345 4.263 10 40 IICB COc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1 409244661 GZHKMRZVEMTGPH-PXLXIMEGSA-N 445.544 4.441 10 40 IICB COc1ccc(N2CCN(c3nc4ccccc4n3CC(=O)c3ccccc3)CC2)cc1 3399115 ZOAFZBYTZLLJRI-UHFFFAOYSA-N 426.520 4.254 10 40 IICB CCC1=NN2C(=N)/C(=C/c3ccc(OCc4ccc(F)cc4)c(OC)c3)C(=O)N=C2S1 8492189 FBRDJHBJVKDINL-MEOLDJOHSA-N 438.484 4.442 10 40 IICB Cc1cc(C)c(NC(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c(C)c1 8691243 PGAQIQGSIYXCOM-UHFFFAOYSA-N 427.456 4.183 10 40 IICB COC(=O)c1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(OC)cc3)C2=O)cc1 408847200 UDZFTQINLVDKKS-CJLVFECKSA-N 442.471 4.325 10 40 IICB O=C1/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1c1cccc(Br)c1 409205069 KTSRWIZODXLXNZ-VGOFMYFVSA-N 437.296 4.469 10 40 IICB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(F)cc2Br)o1 34705783 OQDIOHUODKDIAF-WJDWOHSUSA-N 427.229 4.310 10 40 IICB CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccccc1F 59194095 FICNKQXJZIENIH-XSFVSMFZSA-N 432.451 4.265 10 40 IICB CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=N\N1CCN(c2ccccc2F)CC1 100799750 DFRQZNOBWGIVBH-QPLCGJKRSA-N 425.464 4.313 10 40 IICB COc1ccc(N2CCN(C(=O)CC34C[C@H]5C[C@@H](CC(Br)(C5)C3)C4)CC2)cc1 102583819 TVTXUEOUNIVRJW-YUOVDFJASA-N 447.417 4.468 10 40 IICB COc1cc(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] 219827402 PSDALHOBNNXFIM-SJORKVTESA-N 427.501 4.096 10 40 IICB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(Cl)c1OC(C)C 408819243 YRPNSZLJYRNUSP-CXUHLZMHSA-N 442.899 4.419 10 40 IICB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3ccccc3F)C2=O)cc1 408878032 ZAOJZCRURHXRCF-RCCKNPSSSA-N 430.435 4.092 10 40 IICB COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1c(O)ccc2ccccc12 408894297 PQRCUDDLDQUGLE-HMAPJEAMSA-N 429.472 4.427 10 40 IICB Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)C2=O)c1 409220586 BUEYCRGXTPKONI-WSDLNYQXSA-N 430.464 4.404 10 40 IICB O=C(CSCc1c(Cl)cccc1Cl)NCc1ccc(N2CCOCC2)cc1 13631978 UJZPADOEWSVQEX-UHFFFAOYSA-N 425.381 4.380 10 40 IICB CCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 408800984 QVMPNTUSJJRSBS-SFQUDFHCSA-N 443.297 4.213 10 40 IICB CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 1797772 GODLRAGMYVGEGJ-FBKCMUNRSA-N 432.479 4.309 10 40 IICB CCN(CC)c1ccc(CN(C(=O)c2cccc(Cl)c2)[C@@H]2CCS(=O)(=O)C2)cc1 9282673 RWMXMZLSUGEKME-OAQYLSRUSA-N 434.989 4.016 10 40 IICB CN(C)c1ccc([C@@H](CNC(=O)c2ccc(F)cc2)N2CCN(c3ccccc3)CC2)cc1 16914388 NKOKVIIJLOMZED-AREMUKBSSA-N 446.570 4.185 10 40 IICB Cc1cc(-n2c(C)cc(/C=C3/C(=O)N(C)C(=S)N=C3O)c2C)ccc1Br 59182206 BEJLZDUGQDHOQU-OQLLNIDSSA-N 432.343 4.262 10 40 IICB CN(c1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1)S(=O)(=O)c1ccccc1 224254567 CNRNEVCJJQHMAC-UHFFFAOYSA-N 449.576 4.042 10 40 IICB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c1C 409234094 YXHPWCCGLDRZHV-VXLYETTFSA-N 434.883 4.117 10 40 IICB CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/C(Cl)=C\c2ccc([N+](=O)[O-])cc2)SC1=S 11582518 PRYFAIRNMBRKEO-XFOVREJOSA-N 426.903 4.028 10 40 IICB COc1ccc2nc(/C=C3\SC(=S)N(c4ccc(C(=O)O)c(O)c4)C3=O)ccc2c1 54360796 JITFHGLEDSNJIX-NVMNQCDNSA-N 438.486 4.053 10 40 IICB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 408884137 WYIHJQREXMBLEP-HMAPJEAMSA-N 448.519 4.094 10 40 IICB CCOc1ccccc1NC(=O)CCN1C(=O)/C(=C/c2ccccc2OC)SC1=S 8819293 MIKKZADLUDSSGT-RGEXLXHISA-N 442.562 4.324 10 40 IICB CN(C)c1ccc([C@@H](CNC(=O)COc2ccccc2F)N2CCc3ccccc32)cc1 9569179 MNDHFNAKTSVGJS-XMMPIXPASA-N 433.527 4.191 10 40 IICB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1Br 14414533 KSBUCTQLMKLAMO-ATVHPVEESA-N 428.282 4.335 10 40 IICB N=C1/C(=C/c2cccn2-c2ccccc2F)C(=O)N=C2SC(COc3ccccc3)=NN12 41108054 CBZJJAVBUAXJGE-IHVOSJJMSA-N 445.479 4.315 10 40 IICB Cc1cc(-c2nc3cnccn3c2NC[C@H]2CCCO2)c(C)n1-c1ccc2c(c1)OCO2 72341990 ATMHBWFZUGMNHS-GOSISDBHSA-N 431.496 4.123 10 40 IICB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4O)[C@@H]3C2=O)cc1 101178357 PWGSGXKGZUSYKQ-VXNXHJTFSA-N 444.487 4.232 10 40 IICB CCCN1CCN(Cc2ccccc2O)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O 257275894 NRKMUNHGWBMWAL-XMMPIXPASA-N 429.564 4.367 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCC 408804395 FKUZULBCZGICRD-UKTHLTGXSA-N 449.290 4.457 10 40 IICB CC(C)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O 408875290 ITMCESFNCLBCGV-UVTDQMKNSA-N 447.260 4.042 10 40 IICB CSc1ncccc1C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C 2634509 SHBXKPIFAGGIDQ-UHFFFAOYSA-N 438.505 4.022 10 40 IICB CN(Cc1cc(N(C)C)nc([C@H]2CCCCN2)n1)Cc1ccc(N2CCCCC2)cc1F 19709860 GRKZBFCDEWGBGI-HSZRJFAPSA-N 440.611 4.119 10 40 IICB CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(OC)c1 33558326 MYWLNYCTVWRDGW-YBFXNURJSA-N 444.509 4.158 10 40 IICB Cc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 148218321 CXIROVFEBDUNIP-VIZOYTHASA-N 440.468 4.399 10 40 IICB O=C(COc1ccc(Cl)cc1/C=C1\SC(=S)NC1=O)Nc1ccc(Cl)cc1 15056162 AAJOBICDOIQZIC-NVNXTCNLSA-N 439.345 4.500 10 40 IICB CN(C)c1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1 49003956 XTDGMCGPRLQQET-UHFFFAOYSA-N 445.972 4.185 10 40 IICB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(OC)c2)c1C 223010889 GYSAKVJVZPTNHC-XZOQPEGZSA-N 436.581 4.117 10 40 IICB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC)c(OC)c1 408588264 VJNKFBQZUXFWDG-ZHZULCJRSA-N 437.492 4.370 10 40 IICB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1OC 409251322 PBIITTMDJRWDNB-JMRXEAOASA-N 444.940 4.357 10 40 IICB CCN1C(=O)C(=Cc2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)C(=O)N(CC)C1=S 682037 QCDBZZBIHLNPDO-UHFFFAOYSA-N 449.498 4.492 10 40 IICB CC(=O)[C@H](/N=N/c1cc(C(F)(F)F)ccc1Cl)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 8385596 DZEAVLGCIUOLBY-HIUCBWPRSA-N 439.781 4.208 10 40 IICB CC(C)c1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](CC(=O)O)C(=O)O)C3=O)o2)cc1 9884859 VPIXSUOGJBWOPH-ZUZCKIMGSA-N 445.518 4.199 10 40 IICB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3c[nH]c4ccc(Br)cc34)C2=O)c1 16269087 UVEAZLNGAYXPDI-CAOOACKPSA-N 438.281 4.214 10 40 IICB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O)Nc1ccc(F)cc1 408877836 XGTJVNCOSGDEJC-UYRXBGFRSA-N 425.485 4.101 10 40 IICB CCOc1c(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cccc1OC 409341218 AHTBKXUUIWNGLI-LFIBNONCSA-N 448.953 4.294 10 40 IICB CCc1ccc(S(=O)(=O)Nc2cc(SCCC(=O)O)c(O)c3ccccc23)cc1 8834636 JNYAESHEZPSMSG-UHFFFAOYSA-N 431.535 4.475 10 40 IICB Cc1ccc(C(=O)N2N=C(c3ccccc3NS(C)(=O)=O)C[C@@H]2c2ccccc2O)cc1 9060554 PVJZBIBQTDIGMF-JOCHJYFZSA-N 449.532 4.064 10 40 IICB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccc(Cl)c1 223616959 PVCFKFHMSQZVGH-FCHUYYIVSA-N 441.000 4.497 10 40 IICB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc1Cl 408790865 TZZXIGLABJDFGP-JYRVWZFOSA-N 449.688 4.086 10 40 IICB NC(=O)c1ccc(C(F)(F)F)n(CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)c1=O 10910656 VLMMWWKBGCMNIU-BYYHNAKLSA-N 443.385 4.020 10 40 IICB CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OCC(=O)OC)cc1 408769443 VCFHBNYACDQTSR-HMAPJEAMSA-N 449.503 4.123 10 40 IICB CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C(=O)NC2=S)cc1 408789092 JEDTXTOZTUESJU-PXLXIMEGSA-N 445.544 4.324 10 40 IICB O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(C(=O)O)cc1 1151609 SXEBXUSHYQFNOY-DFBITEFZSA-N 438.530 4.171 10 40 IICB O=C(Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1F)c1ccccc1Cl 8810412 LDUOQRYDXJDKAK-UHFFFAOYSA-N 448.859 4.261 10 40 IICB CC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)C(=O)N=C2S1 9553348 DJTNNQGMSCUNEE-CSCXBHOMSA-N 442.342 4.496 10 40 IICB CCOc1ccc(Cl)cc1/C=C1/SC(=S)N(NC(=O)c2ccc(OC)cc2)C1=O 33401910 BWYMHXFQVHHXOH-GZTJUZNOSA-N 448.953 4.294 10 40 IICB Cc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=S)N=C2O)cc(C)c1O 38182234 DDFHGPBJFIBCNM-OQLLNIDSSA-N 431.311 4.443 10 40 IICB COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)cc1 260921337 PJWQKIBCFCJRNW-FGCOXFRFSA-N 448.592 4.341 10 40 IICB Cc1c(/C=C2/C(=O)NC(=S)N=C2O)c2ccccc2n1CCOc1ccc(Cl)cc1 640877 HYSBYWPEHYHZPV-UHFFFAOYSA-N 439.924 4.437 10 40 IICB CCc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3O[C@@H](C)CC)C(=O)NC2=S)cc1 107682081 VIMYRBPCBWHJDA-FHHIAAGZSA-N 438.549 4.266 10 40 IICB CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)cc2C(C)=CC1(C)C 208503321 UAMDUSNHNSVWPN-KGENOOAVSA-N 445.519 4.383 10 40 IICB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)c2C)cc1 408766282 BJZUQYNBLUHDQE-OEAKJJBVSA-N 443.503 4.386 10 40 IICB CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(Cc4ccco4)C(=O)N=C3O)o2)cc1 1168304 QDBXWSNQISNTCA-LDADJPATSA-N 434.404 4.219 10 40 IICB COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(C)c3)C2=O)cc1OC 8819057 UETHZOFEBNIQFN-UYRXBGFRSA-N 442.562 4.242 10 40 IICB CN1CCc2cc([C@@H](CNC(=O)COc3ccc(Cl)cc3Cl)N3CCCC3)ccc21 8963373 LXIWXWLXDNMSQV-OAQYLSRUSA-N 448.394 4.318 10 40 IICB CCSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4OC)c3C)C(=O)N=C2S1 9309804 NTQUGQBBQHRFBW-AZAZKDLZSA-N 439.566 4.433 10 40 IICB COc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)Cc3ccccc3-4)C(=O)NC2=S)cc1 9327378 WXAAHKFWUKVUFH-XKZIYDEJSA-N 426.497 4.098 10 40 IICB COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc(Cl)c1OC 9671354 JXTXNOWPEBNFQI-LJQANCHMSA-N 432.948 4.245 10 40 IICB COc1ccc(N2CCN(CCC(=O)N[C@@H](c3ccccc3)c3cccs3)CC2)cc1 32870738 GGSNBPDYEGCTGU-VWLOTQADSA-N 435.593 4.175 10 40 IICB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(C[C@H](O)CN2CCCCC2)c2ccccc12 101305079 WAJAAXUKXQAYFT-DZQSVEARSA-N 442.563 4.294 10 40 IICB CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 218441853 SLTBYRIFDQCXEP-IBGZPJMESA-N 443.613 4.200 10 40 IICB C[C@H](C(=O)N1CCCC[C@H]1c1cccnc1)N1C(=O)/C(=C\c2ccco2)SC1=S 62825001 JOYYRXNCKHUNDT-UUFXGUJGSA-N 427.551 4.018 10 40 IICB C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 89921966 VAOZHFOARDPBBC-IPHXSNPTSA-N 441.959 4.035 10 40 IICB CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1cccc(C(=O)O)c1 408526611 BSSFXVRWJSVRCX-YBEGLDIGSA-N 428.286 4.483 10 40 IICB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 408588275 VKMCGKXVQRASHB-UYRXBGFRSA-N 437.492 4.206 10 40 IICB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCCC4)c(F)c3)C2=O)c1 409101128 VRAVSJQAXFMLRI-MOSHPQCFSA-N 439.512 4.409 10 40 IICB Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)c3cc(C)n(-c4ccccc4)c3C)ccc12 2657603 QROZXZNJJVLHPM-UHFFFAOYSA-N 445.471 4.314 10 40 IICB COCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1cccc(C(C)=O)c1 13509976 IQAXWOGIZMMNGH-UHFFFAOYSA-N 439.537 4.139 10 40 IICB COc1ccc(N2CCN(C(=O)Cc3c(C)c4cc5c(C)coc5cc4oc3=O)CC2)cc1 13727582 FDDDRJXAAMBSGT-UHFFFAOYSA-N 446.503 4.056 10 40 IICB CCCOc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccccc3O)C2=O)cc1 102758870 PWGSGXKGZUSYKQ-KMDXXIMOSA-N 444.487 4.232 10 40 IICB C/C(NCCSCc1nc[nH]c1C)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 112294302 KIHIZGBIOGSSQE-XLNRJJMWSA-N 449.555 4.405 10 40 IICB CCN(CC)c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 223348931 ZXQCZQVFCHAJJK-UHFFFAOYSA-N 443.594 4.325 10 40 IICB Cc1ccc(-n2c(C)cc(/C=c3\sc4nc5ccccc5n4c3=O)c2C)cc1[N+](=O)[O-] 408902242 GIMZELJSIGIXLS-NHDPSOOVSA-N 430.489 4.081 10 40 IICB CCN1C(=O)/C(=C/c2cn(CC(=O)NCc3ccccc3)c3ccccc23)SC1=S 409125095 CADITNQNQQOVFW-NDENLUEZSA-N 435.574 4.179 10 40 IICB COc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)ccc1OCc1ccc(C)cc1 1281966 HZWOAPJQURMERP-AXLWCPOOSA-N 443.546 4.257 10 40 IICB COc1ccc(N2CCN([C@H](C)C(=O)NC(c3ccccc3)c3ccccc3)CC2)cc1 57548212 FKHKPNMJLYAPMX-OAQYLSRUSA-N 429.564 4.112 10 40 IICB CCc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1 1217350 IHFNTDQDXPVXQM-AQTBWJFISA-N 440.546 4.177 10 40 IICB Cc1cc(C(=O)COC(=O)c2ccc(Cl)cc2N)c(C)n1-c1ccc2c(c1)OCO2 2635522 GMDWEEUSYBUXKX-UHFFFAOYSA-N 426.856 4.098 10 40 IICB COc1cccc(OCCn2cc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)c3ccccc32)c1 41078269 UFADHPBXNGWCRY-TVWUMHKZSA-N 442.475 4.179 10 40 IICB COc1cc(/C=C2\SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)cc(OC)c1O 9188925 LOHNZPGBIXSVJT-QNGOZBTKSA-N 438.549 4.334 10 40 IICB Cc1ccccc1N1C(=O)/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C(=O)NC1=S 9295829 DMECKYNXOWGIBZ-MOSHPQCFSA-N 433.508 4.373 10 40 IICB CCN(CC)c1ccc(/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1 12654235 RAMAIAWJSLEKAH-NKFKGCMQSA-N 434.609 4.321 10 40 IICB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(Cc2ccccc2F)c2ccccc12 13536918 RBVPEZNRRTYZOL-UDWIEESQSA-N 443.434 4.084 10 40 IICB Cc1cc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c(C)n1-c1ccccc1 16685162 QGYGAAXLIKMTNT-QGZVFWFLSA-N 431.492 4.015 10 40 IICB CN(C)c1ccc([C@@H](CNC(=O)c2cccs2)N2CCN(c3ccccc3)CC2)cc1 16914663 PEYONUOFXJOQTG-HSZRJFAPSA-N 434.609 4.107 10 40 IICB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C2=O)cc1 208230936 GXJSJJIBHNARGA-WMRWHDLOSA-N 447.535 4.392 10 40 IICB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c1C 222745923 DWNVILYLSIBRLN-RTWAWAEBSA-N 437.525 4.008 10 40 IICB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccccc1 408845733 LISUFUNYDLRMRF-DEDYPNTBSA-N 446.434 4.080 10 40 IICB COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OC)cc1 408893351 MNINDGLDBFVGAC-PDGQHHTCSA-N 428.282 4.335 10 40 IICB CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O 409011944 ICOFFEPAAVHVGU-XBTXGSBDSA-N 449.868 4.286 10 40 IICB Cc1cc(C)cc(OCCOc2cccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)c2)c1 13898053 DBRPBDYBKLBTIN-JJIBRWJFSA-N 428.488 4.223 10 40 IICB CCN(CC)c1ccc([C@@H]2C(C(=O)OCCOC)=C(C)Nc3nc4ccccc4n32)cc1 17098978 MLWYDMDVJRQBOQ-HSZRJFAPSA-N 434.540 4.361 10 40 IICB Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc(N(C)C)cc3)[C@@H]2C1=O 18090049 MTHKDCZYNZGXGA-VXNXHJTFSA-N 427.504 4.112 10 40 IICB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)c2)c1 18150657 GQKFGSVHVUGZIS-UHFFFAOYSA-N 437.565 4.134 10 40 IICB CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccc(O)c(CN3CCCCC3)c2)CC1 19021084 VHLXPWOUVDJXBC-UHFFFAOYSA-N 439.575 4.145 10 40 IICB Cc1cc(/C=C2\C(=O)N=C(S)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1 103117323 KFXLQBWFONMQJW-FYJGNVAPSA-N 433.508 4.471 10 40 IICB Cc1ccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)c3ccccc32)cc1 409241953 SXVNCFMIUVWMHW-LPYMAVHISA-N 436.471 4.059 10 40 IICB COc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1OC 409250004 VSWLWXKXWYFBJJ-CXUHLZMHSA-N 444.940 4.312 10 40 IICB COc1ccccc1C(=O)NN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 1301014 JHMPAKQWPKPPJL-GDNBJRDFSA-N 449.351 4.004 10 40 IICB O=C(O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3O)o2)cc1 33332496 IVEMSGHVLIZORC-RVDMUPIBSA-N 436.420 4.456 10 40 IICB CCc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)NC2=S)cc1 110215082 UGDZUWKISFJYMN-UYRXBGFRSA-N 447.472 4.249 10 40 IICB Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)c1 223265748 ZGZPSWUFQJZAET-BJKOFHAPSA-N 433.625 4.332 10 40 IICB COc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C(C)C)C3=O)cc2)c1 408576692 QLNVLORBHHEWRC-ODLFYWEKSA-N 442.562 4.322 10 40 IICB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2Cl)c1 408936496 KNLJRWNONDLTDY-MOSHPQCFSA-N 448.862 4.291 10 40 IICB COC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccc(C)cc4)C3=O)c2C)c1 409252631 SZNRNLCANKJFOI-OEAKJJBVSA-N 443.503 4.282 10 40 IICB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCc1ccc(N2CCCC2)cc1 10113658 WKAUELLXRQCEHG-UHFFFAOYSA-N 449.576 4.045 10 40 IICB Cc1cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)n1-c1ccc(OC(F)F)cc1 10211848 JQHOXJUMSXBRPE-UHFFFAOYSA-N 442.249 4.442 10 40 IICB Cc1cccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2\SC(=S)N(C)C2=O)c1 26743950 NHLAUUSKXKFTNB-PDGQHHTCSA-N 430.507 4.192 10 40 IICB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCOCC3)=NC2=O)cc1 35111681 UULRYSGLSSLMQZ-RCCKNPSSSA-N 430.533 4.150 10 40 IICB COC(=O)c1ccc(F)c(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 63183273 USCUPIULTGWQLL-UHFFFAOYSA-N 426.878 4.190 10 40 IICB Cc1ccnc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)c2C)c1 260922588 QDZQMMTZOUETNQ-VEXUSMLFSA-N 447.608 4.344 10 40 IICB CCOC(=O)COc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1 409051863 HAGLJQXOVDXZNE-UNOMPAQXSA-N 427.547 4.338 10 40 IICB COC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)c2C)c(C)c1 409220720 DWDGSNJIGNPSEH-HYARGMPZSA-N 443.503 4.282 10 40 IICB COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc([N+](=O)[O-])c1O 409334347 XBQRIGSGLLNTCY-OVCLIPMQSA-N 434.520 4.437 10 40 IICB COC(=O)[C@@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 2448787 RFAJRKWQTJNEBK-VXNXHJTFSA-N 435.479 4.293 10 40 IICB COc1cc(C2=NN3[C@H](C2)c2cccc(OC)c2OC32CCN(C(C)C)CC2)ccc1O 10214600 KHAHZXJQBFAQDO-HXUWFJFHSA-N 437.540 4.153 10 40 IICB CC(C)OC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1CCCCC2 102345534 GBXXKKIGBLJUTA-ZZCKCESHSA-N 431.554 4.434 10 40 IICB CCOC(=O)c1sc(N2N=C(C)/C(=C\c3cc(C)n(-c4cccnc4)c3C)C2=O)nc1C 9295993 VDZGSHMXBMUTBH-YBFXNURJSA-N 449.536 4.237 10 40 IICB Cc1ccc(OCc2nc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cs2)cc1 10907838 LYQLGJRUGIBZGE-UHFFFAOYSA-N 437.565 4.139 10 40 IICB COC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CC[C@@H](C(C)(C)C)C2 34772754 AOFOZLCGOQZXJB-PJSWFKRJSA-N 433.570 4.371 10 40 IICB Cc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c2ccc(F)cc2n1 108281985 WEYQJUVBQQZWRU-IYBDPMFKSA-N 425.479 4.365 10 40 IICB CC1=NN(c2cc(Cl)c(S(=O)(=O)O)cc2Cl)C(=O)[C@@H]1/N=N/c1ccccc1 111384966 CTUGJQNYMKNXCM-FZFLATATSA-N 427.269 4.115 10 40 IICB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3Cl)C2=O)cc1 408739723 DXXWELNAXVBAPE-QPEQYQDCSA-N 425.655 4.322 10 40 IICB COc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OC(C)C)ccc4ccccc34)C2=O)cc1 408819475 XHJBHTODNCAQNK-KGENOOAVSA-N 430.460 4.302 10 40 IICB CCOC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S 1239056 YZWSXCZHKCEIFU-JPVKTXQWSA-N 427.547 4.418 10 40 IICB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)c1[nH]c(C)c(C(C)=O)c1C 9672266 UBMWZFRAXNKWFV-UHFFFAOYSA-N 439.537 4.464 10 40 IICB CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O 11859680 BKRRYNQFMLLPRD-JOEZZVDMSA-N 439.518 4.381 10 40 IICB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 12681837 RWKCDFSFHRZMCB-OKILXGFUSA-N 439.895 4.062 10 40 IICB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cc2)c1C 223687332 LTVVRXNQBDTEPS-BJKOFHAPSA-N 448.592 4.333 10 40 IICB COc1ccc2c(/C=C3\SC(=S)N(c4ccccc4OC)C3=O)c(C(=O)O)[nH]c2c1 256055585 MCROBIWWFDHODX-YVLHZVERSA-N 440.502 4.289 10 40 IICB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Br 408782810 JTPNYANGHLLTIK-MHWRWJLKSA-N 443.297 4.131 10 40 IICB COc1ccc([C@H](C[N+](=O)[O-])C2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1OC 727440 ZLUBCJZABUFRFM-FQEVSTJZSA-N 431.444 4.081 10 40 IICB O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(Cl)cc1Cl 9056464 PTXDSYXVGAVMPD-AWNIVKPZSA-N 440.080 4.422 10 40 IICB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)C2=O)cc1 9424192 RLSQUEGSYIDKHH-HAHDFKILSA-N 443.503 4.468 10 40 IICB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(Cl)c(F)c1 112295627 PCXALFMBXQNRIZ-ODLFYWEKSA-N 446.822 4.039 10 40 IICB O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)Nc3nc(-c4ccccc4)cs3)ccc21 6089025 ISZWOXIDLVNYGU-UHFFFAOYSA-N 446.509 4.386 10 40 IICB O=C(NN1C(=O)/C(=C\c2cccnc2)SC1=S)C(c1ccccc1)c1ccccc1 8687948 KNKQXJMGZSYPGW-XMHGGMMESA-N 431.542 4.146 10 40 IICB COc1ccccc1OCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc21 9569181 VOXYWLLYHAWWEO-DEOSSOPVSA-N 445.563 4.060 10 40 IICB COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)O 13899454 BELYFASQOBLJNC-PXNMLYILSA-N 435.910 4.218 10 40 IICB CCCOc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OCC 408872241 BSUAZEZUPFNKCX-WJDWOHSUSA-N 444.940 4.359 10 40 IICB CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Br)c1OC 408938652 LLBGHUQLJXXNFN-MHWRWJLKSA-N 443.297 4.298 10 40 IICB CCN(CC)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1 409228396 YIMKYLCHDMZLMD-PDGQHHTCSA-N 427.957 4.326 10 40 IICB COC(=O)[C@@H](Sc1ccc(Cl)cc1)[C@H]1SC(=S)N(Cc2ccccc2)C1=O 1567380 SCFYJGSMZBGPRO-CVEARBPZSA-N 437.995 4.403 10 40 IICB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1cccc(Br)c1 8821891 JCDGEDXVANTKGO-AQTBWJFISA-N 446.345 4.381 10 40 IICB COc1ccccc1OCCn1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)c2ccccc21 9232884 LTTUMBHRUSZXSD-DEOMXOCUSA-N 442.475 4.179 10 40 IICB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)C2=O)cc1 6387873 BPDWAFWVAOWESE-ZHZULCJRSA-N 435.867 4.196 10 40 IICB O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C/c1ccc(N2CCOCC2)cc1 97992390 YVWSXBUATRYWCD-SSZFMOIBSA-N 427.426 4.196 10 40 IICB CCOC(=O)c1sc(N/C=C2\C(=O)N(c3ccccc3)N=C2C)c(C(=O)OCC)c1C 100207837 DFQCVHUBOKWECB-VBKFSLOCSA-N 441.509 4.128 10 40 IICB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCCCC1 408534897 RPXYQWYFPFPWND-JXAWBTAJSA-N 430.512 4.286 10 40 IICB CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc2c1CCCCC2 35898119 GBXXKKIGBLJUTA-NONVJHHQSA-N 431.554 4.434 10 40 IICB COc1ccc(N2CCN(C[C@@H](O)COCC(c3ccccc3)c3ccccc3)CC2)cc1 54176447 CLYZVPINENZDCN-AREMUKBSSA-N 446.591 4.027 10 40 IICB COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 408892110 GELYWUCRXGFXQB-BOPFTXTBSA-N 443.253 4.235 10 40 IICB COc1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4cccc(F)c4)C3=O)c2C)c1 409018906 YFQYOVJNCYRPDB-NHDPSOOVSA-N 449.507 4.073 10 40 IICB Cc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1[N+](=O)[O-] 3511521 HIOJABGAUNKCBB-UHFFFAOYSA-N 436.420 4.079 10 40 IICB CC(/C=C1\SC(=S)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O)=C\c1ccccc1 8951601 BKRRYNQFMLLPRD-UJUKKVGJSA-N 439.518 4.381 10 40 IICB Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)s3)C(=O)NC2=S)cc1Cl 9262698 FHVWDDOBSWYFQI-YRNVUSSQSA-N 441.759 4.304 10 40 IICB O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/C=C/c2ccc([N+](=O)[O-])cc2)SC1=S 11582397 LAVLUVFDSPKJCP-UAYXSDCWSA-N 440.502 4.048 10 40 IICB CCc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc1 16837460 WKWBVXIEAAWKQZ-SANMLTNESA-N 449.620 4.397 10 40 IICB COc1ccc(N(CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)Cc2ccccc2)cc1 22983852 KBRLSMQPMLEBKD-LJQANCHMSA-N 429.520 4.466 10 40 IICB COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(Cl)c4)co3)CC2)cc1 56949984 CIBVZQJMBKLAJC-UHFFFAOYSA-N 440.927 4.203 10 40 IICB O=C(COc1ccc(/C=C2\SC(=S)NC2=O)cc1)Nc1cc(Cl)ccc1Cl 408761064 HFMMIMNYDYCQQQ-CHHVJCJISA-N 439.345 4.500 10 40 IICB Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)cc2)cc1 408907975 ABCFPEMZVBYSGE-LPYMAVHISA-N 430.435 4.380 10 40 IICB COc1ccc(N2CCN(/C=C/c3ccc4c5c3C(=O)C(=O)N5C(C)(C)C=C4C)CC2)cc1 1740816344 AJOIZMOUDPXJFD-VAWYXSNFSA-N 443.547 4.213 10 40 IICB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 107746530 RAMPQFKLJARWMP-HMAPJEAMSA-N 438.443 4.059 10 40 IICB C[C@H]1CCCN(c2ccc([C@H](C)NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)C1 260577628 GAPJOIUEBODHSU-OALUTQOASA-N 441.597 4.089 10 40 IICB COc1ccc(CN2C(=O)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)N=C2O)cc1 2366681 JAWRNPSQALEAEU-XKZIYDEJSA-N 447.466 4.108 10 40 IICB CN1CCc2cc([C@@H](CNC(=O)c3ccccc3Br)N3CCCC3)ccc21 8963349 QPTPNCHMVMSLND-OAQYLSRUSA-N 428.374 4.008 10 40 IICB COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1cccc(F)c1 32109963 XWMZUBFJXUDDHJ-RQZCQDPDSA-N 434.876 4.173 10 40 IICB COc1ccc(N2CCN(C[C@H](O)COCC(c3ccccc3)c3ccccc3)CC2)cc1 54176444 CLYZVPINENZDCN-SANMLTNESA-N 446.591 4.027 10 40 IICB O=C(O)CN1C(=O)/C(=C/c2cccc(OCc3c(F)cccc3Cl)c2)SC1=S 208647688 CABCWYNPJDFNBN-PXNMLYILSA-N 437.901 4.344 10 40 IICB CCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2)C1=O 408802321 ZAZQQDIOZNSSQG-SFQUDFHCSA-N 443.297 4.213 10 40 IICB O=C(CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1cccc(C(=O)O)c1 975283 JTZGYFSJKDLGJM-SFQUDFHCSA-N 426.519 4.005 10 40 IICB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1cccn1-c1ccc2ccccc2c1 9934897 URHDKPPYRZYNIG-HMMYKYKNSA-N 425.419 4.436 10 40 IICB COc1ccc(CCN2C(=O)c3ccccc3N[C@@H]2c2ccc(N3CCOCC3)cc2)cc1 12534691 JMXQRZVXHKNHJC-SANMLTNESA-N 443.547 4.341 10 40 IICB Cc1ccc2nc(SCC(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)[nH]c2c1 12576422 WPXHCMSNGCHTCQ-FQEVSTJZSA-N 438.597 4.237 10 40 IICB CCN(CC)c1ccc(/C=C2/C(=O)NN(c3cccc4ccccc34)C2=O)cc1[N+](=O)[O-] 16678657 ZORQNUJLWGZPPE-RGEXLXHISA-N 430.464 4.056 10 40 IICB CCOc1ccc(-n2cccc2/C=C2\C(=O)N(c3ccc(OC)cc3)C(=O)N=C2O)cc1 20210165 ISNPFOYWBXQCAP-QNGOZBTKSA-N 431.448 4.391 10 40 IICB Cc1cc(C(=O)COC(=O)c2ccc(CO)cc2)c(C)n1-c1ccc(OC(F)F)cc1 23646523 TZUQWUIKROHDJA-UHFFFAOYSA-N 429.419 4.228 10 40 IICB COc1ccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1OC 8971331 DHPLJAWCRSRBAU-ZHZULCJRSA-N 429.432 4.447 10 40 IICB Cc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccc(N(C)C)cc3)C(=O)N=C2S)cc1C 9111404 KQRYANHTOKMBJF-JCMHNJIXSA-N 444.560 4.403 10 40 IICB CCn1c(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)nnc1C1CC1 9789711 NBRFCKFDSNGTDY-UHFFFAOYSA-N 438.553 4.329 10 40 IICB Cc1cccc(-c2noc(-c3cccnc3N3CCN(c4ccc5c(c4)OCO5)CC3)n2)c1 33004326 FTALDOARBYNEBB-UHFFFAOYSA-N 441.491 4.162 10 40 IICB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1OCC 409245284 QIJJNTRAHHBTDS-CPNJWEJPSA-N 438.549 4.439 10 40 IICB Cc1ccc(C)n1-c1ccsc1-c1cc2ncc(S(=O)(=O)C(C)(C)C)c(N)n2n1 2513373 VWVSCBMKRKCHKX-UHFFFAOYSA-N 429.571 4.020 10 40 IICB CN(CC(=O)Nc1ccccc1Cc1ccccc1)Cc1ccc(N2CCOCC2)cc1 8706765 DWFNXGMWQTWBIU-UHFFFAOYSA-N 429.564 4.185 10 40 IICB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 8872605 NYRSTSRXPPDAQU-WQRHYEAKSA-N 425.868 4.312 10 40 IICB CCN(CC)c1ccc(CN2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 9849462 HUGBRMNFSRJEPT-UHFFFAOYSA-N 448.655 4.089 10 40 IICB CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1[C@H](C)CC 12418680 GMDAVSHOCNZABT-GOSISDBHSA-N 432.586 4.118 10 40 IICB COc1ccc(N2CCN(c3ccc(-c4nc(-c5ccco5)no4)cc3[N+](=O)[O-])CC2)cc1 20898112 XSPNAHMVJMDYQE-UHFFFAOYSA-N 447.451 4.240 10 40 IICB COc1ccc(N2CCN([C@H](CNC(=O)c3ccc(Cl)cc3)c3ccco3)CC2)cc1 56946207 IJNWOJZBCXTBIC-JOCHJYFZSA-N 439.943 4.235 10 40 IICB CCN(CC)c1ccc(CNC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 224562174 ONIZZGDZURZAQR-UHFFFAOYSA-N 445.629 4.012 10 40 IICB COc1ccc(/C=C/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 409230198 CJLLFUQFXNCKOK-VXTNGOHYSA-N 432.423 4.102 10 40 IICB COc1ccc(-n2c(C)cc(C(=O)CN(C)S(=O)(=O)c3cccc(Cl)c3)c2C)cc1 3338618 AQMCMAJCBORWLX-UHFFFAOYSA-N 446.956 4.260 10 40 IICB Cc1ccc2c(ccc(/C=C3/Sc4ccccc4N3CCCS(=O)(=O)O)[n+]2C)c1 6281956 FGBHNEHVPOBKDU-UHFFFAOYSA-O 427.571 4.161 10 40 IICB CCc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccc3[N+](=O)[O-])C2=O)cc1 8871660 WGJPMUMDXMSQQA-AQTBWJFISA-N 441.534 4.387 10 40 IICB Cc1c(C=C2C(=O)NC(=O)NC2=O)c2ccccc2n1CCOc1ccc(C(C)(C)C)cc1 8916930 UQYFBUCJMGPEON-UHFFFAOYSA-N 445.519 4.076 10 40 IICB O=C(O)CN1C(=O)/C(=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)SC1=S 9310522 PIYNXRMYJQDPTC-CNHKJKLMSA-N 429.563 4.146 10 40 IICB CCOC(=O)c1c(NC(=O)C[C@H]2Sc3ccccc3NC2=O)sc2c1CC[C@H](C)C2 16839586 YEGNUNXKEDOQEV-YVEFUNNKSA-N 444.578 4.491 10 40 IICB Cc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(c3ccccc3)CC2)cc1 17040925 LPXIAEXRLUQDSZ-HHHXNRCGSA-N 442.607 4.354 10 40 IICB CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 18169480 PQYFAIATJQQAJU-VJBWXMMDSA-N 447.922 4.457 10 40 IICB O=C(CSCc1ccc(Cl)cc1Cl)NCc1ccc(N2CCOCC2)cc1 222724367 UHNXUKOMXOVHCM-UHFFFAOYSA-N 425.381 4.380 10 40 IICB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCC3)c3ccccc23)C1=O)N1CCCC1 408552394 SSXAPWCEISXIBU-RCCKNPSSSA-N 435.549 4.099 10 40 IICB Cc1ccc(-n2nc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)c2C)c(C)c1 408756612 IFSMEOPQTCJNSU-LPYMAVHISA-N 442.519 4.389 10 40 IICB CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)ccc1OCc1ccc(Cl)cc1 408974001 UDMPQVZQEHURJJ-ODLFYWEKSA-N 430.913 4.424 10 40 IICB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC 409136942 UCDFFRGZAFDWBC-OQLLNIDSSA-N 444.940 4.195 10 40 IICB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)SC1=S 409138756 HQALMWNXODMCAV-ZHZULCJRSA-N 427.595 4.152 10 40 IICB CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)N2CCCCC2)cc1 4301894 QMTLNFNTCKJVJE-ARMFNRFLSA-N 427.633 4.213 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c[nH]c4ccc(Br)cc34)C2=O)cc1C 9805541 BCQVDFWLIVLGLG-CAOOACKPSA-N 438.281 4.214 10 40 IICB CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)S1 13943013 AZOZGAYIOPMQAQ-YVLHZVERSA-N 431.311 4.135 10 40 IICB Cc1cccc(CN2CCN(CC(=O)c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)CC2)c1 22921104 XBLOFAZGBRIZHN-UHFFFAOYSA-N 445.563 4.132 10 40 IICB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(SC)cc3)C(C(=O)OC)=C2C)cc1 409021755 XHFOZUGCZXRMOT-ZHZULCJRSA-N 437.517 4.462 10 40 IICB COc1ccc(N2CCN(c3nc(C)c4c(n3)C[C@@H](c3cccs3)CC4=O)CC2)cc1 9264495 HHXIEAYWPFHVJC-QGZVFWFLSA-N 434.565 4.094 10 40 IICB CCOc1cc(CN2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)ccc1N1CCCC1 19531827 PTPCBDZNYMGBAF-UHFFFAOYSA-N 439.575 4.452 10 40 IICB CC(=O)N1[C@H](C(=O)NCCc2ccc(Cl)cc2Cl)CS[C@@H]1c1ccccc1O 27118084 FJSDNEAOAGLFTO-FXAWDEMLSA-N 439.364 4.020 10 40 IICB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 69435941 CMMXOCOVGNSAKH-JWQCQUIFSA-N 438.568 4.132 10 40 IICB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(Cl)cc1 223577206 UEGAMSIKVLYMPU-SFTDATJTSA-N 426.973 4.107 10 40 IICB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(N)cc3)n2-c2ccccc2)cc1 930539 MHUIOXOOHQUKQP-UHFFFAOYSA-N 431.521 4.256 10 40 IICB CCc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cc(Cl)ccc3O)C2=O)cc1 1186727 ALQVMBWQMJOFCS-MFOYZWKCSA-N 432.954 4.448 10 40 IICB COc1ccc(N2CCN(C(=O)CSc3nc(C)c(C)n3C3CCCC3)CC2)cc1 5090333 GEOAVBFRWDXDFG-UHFFFAOYSA-N 428.602 4.065 10 40 IICB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)c1 18068271 VVTKWUUSERNDRC-VXNXHJTFSA-N 427.504 4.112 10 40 IICB O=C1N=C(O)/C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)C(=O)N1 8766664 MMZDZIREUGDDTJ-UHFFFAOYSA-N 435.661 4.271 10 40 IICB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 35199549 SIEMGFBBEUISQM-MOSHPQCFSA-N 449.850 4.289 10 40 IICB N=C1/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N=C2SC(N3CCCC3)=NN12 41085062 PBWQRBIKVFZALG-IVTJCWFQSA-N 449.511 4.077 10 40 IICB CCOc1cccc2ccc(/C=C3\SC(=S)N([C@@H](CCSC)C(=O)O)C3=O)nc12 54361113 HUNRZRPKVKMEOW-HNDQUVLASA-N 448.591 4.041 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1cccc(C)c1 408692338 KDPZBHXONCYVLM-KGENOOAVSA-N 448.519 4.377 10 40 IICB O=C1NC(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)ccc1O 408885513 BFVQJFDJHLQPCN-DEDYPNTBSA-N 448.862 4.291 10 40 IICB Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)c3ccccc32)c1 409239111 BYJDITSKJIMAMQ-LPYMAVHISA-N 436.471 4.059 10 40 IICB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1 100799210 SUZLDVKKXHHIIA-SGNDLWITSA-N 427.504 4.112 10 40 IICB CCN(CC)CCOC(=O)c1ccc(/N=N\[C@H]2Sc3nc4ccccc4n3C2=O)cc1 104241673 FDOCEPSCTAMALS-LYEHZDMLSA-N 437.525 4.391 10 40 IICB Cc1ccc(-n2nc(C)c(/C=C3/C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)c2C)c(C)c1 408755321 DMSUXJROCTVFKZ-BKUYFWCQSA-N 442.519 4.389 10 40 IICB Cn1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)c2ccccc21 8682610 KLRBDTKKXWMEAU-YVLHZVERSA-N 427.938 4.378 10 40 IICB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccc(Br)cc1 8821892 OCVBJHBMXSBFFH-JXAWBTAJSA-N 428.355 4.242 10 40 IICB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Br)cc(OC)c2O)N3)C1 8928034 FJLBHLCQHAHPEW-MRXNPFEDSA-N 438.347 4.032 10 40 IICB COc1ccc(CCN2C(=O)/C(=C\N3CCc4ccccc4C3)SC2=S)cc1OC 13551573 RQHZQLVNXRTDSC-RCCKNPSSSA-N 440.590 4.006 10 40 IICB COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1cccc(OC)c1 58884088 WAKBWNVQDLCVQW-WQRHYEAKSA-N 428.282 4.335 10 40 IICB CCOc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OCC 408895285 DPXBZRBQTWOGAG-MHWRWJLKSA-N 428.872 4.112 10 40 IICB CCc1cccc2c(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)cn(CC(N)=O)c12 409143133 ZFGUFQRYMDSGBE-UNOMPAQXSA-N 441.622 4.471 10 40 IICB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C(=O)N=C2O)cc1 2233906 YFOXVHQLTYTMEC-RGVLZGJSSA-N 443.459 4.002 10 40 IICB O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc2c(c1)OCO2 8820441 LEAPUQCKGLQKRG-LLLGHMJXSA-N 438.530 4.202 10 40 IICB O=C(CCN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)Nc1cccc2nonc12 13574721 DHOFMBOZCNBJBN-GDNBJRDFSA-N 444.925 4.106 10 40 IICB CN(C)c1ccc([C@H](CNC(=O)c2ccccc2)N2CCN(c3ccc(F)cc3)CC2)cc1 16914578 VGIYBODFFUQMBJ-SANMLTNESA-N 446.570 4.185 10 40 IICB CC1=NN(c2ccc(Br)cc2Br)C(=O)/C1=C(/C)NCC(C)C 100043254 YXWZYFCOKJMTNJ-GDNBJRDFSA-N 429.156 4.454 10 40 IICB CCOc1cc(N2CCOCC2)ccc1[C@@H]1[C@H](c2ccccn2)N=C2SC[C@H](CC)N21 260774903 OBBXZXBQOCMUKE-PDIWNELESA-N 438.597 4.296 10 40 IICB CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N(C)C 408534854 RMLCURIVEFCSLB-LGMDPLHJSA-N 426.480 4.206 10 40 IICB COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O 408765633 MUCDZXLSFYEOCJ-NTEUORMPSA-N 449.688 4.086 10 40 IICB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1OCc1ccccc1 408913556 LUPNSARUWZNSOS-UDWIEESQSA-N 446.434 4.080 10 40 IICB O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 8820437 RDRXNCNHJZQSTQ-DFBITEFZSA-N 439.518 4.381 10 40 IICB CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2ccccc2[N+](=O)[O-])C1=O 11859679 WSGKQVVMELCKIC-JOEZZVDMSA-N 439.518 4.381 10 40 IICB CCOc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)ccc1O 16688762 WITFYJQILONNKI-ZROIWOOFSA-N 431.242 4.060 10 40 IICB O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc(Br)c(O)c(Br)c1 58865821 PFCATVXPGZTENI-UHFFFAOYSA-N 446.091 4.061 10 40 IICB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(Br)ccc1O 408588376 VUCWPQHZPBDMDN-YBEGLDIGSA-N 432.245 4.171 10 40 IICB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2cccc(F)c2)cc1 408880418 JSRHVKFYAQKPES-UYRXBGFRSA-N 434.398 4.210 10 40 IICB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(Cc2cccc(F)c2)c2ccccc12 409207644 ZHOWUFWVGMAATD-BKUYFWCQSA-N 431.467 4.233 10 40 IICB COc1cc(C)c(C(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1OC 1691758 LEPVZKAIWIMYCI-UHFFFAOYSA-N 425.506 4.352 10 40 IICB Cc1ccc(OCCn2cc(/C=C3\C(=N)N4N=CSC4=NC3=O)c3ccccc32)cc1 9434680 HUWQEEHJMLEYIK-DGIAZZNKSA-N 429.505 4.278 10 40 IICB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCc2ccccc2Cl)cc1 13550790 SWHCTEKROVNPMI-KQWNVCNZSA-N 433.939 4.493 10 40 IICB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3cccc(F)c3)cc2)C1=O 14132746 PBWAKCNABAAHLM-KGENOOAVSA-N 430.435 4.380 10 40 IICB Cc1cc(C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1N(C)S(C)(=O)=O 260503983 AWRIGEXSHKAUHL-PKOBYXMFSA-N 443.613 4.118 10 40 IICB O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1cccn1-c1ccccc1 2980802 DUANMVYRDTXZJA-QINSGFPZSA-N 426.259 4.451 10 40 IICB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(OCc2ccccc2)c1 408804241 DPZRROSDVYTFOG-HYARGMPZSA-N 442.471 4.249 10 40 IICB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1OC 409010323 CBRQYJFZCRFIRS-CXUHLZMHSA-N 444.940 4.195 10 40 IICB CCN(CC)c1ccc2c(c1)Oc1cc(O)ccc1[C@]21c2ccccc2C(=O)N1CCO 2362804650 FJOJXHZDLYRGIT-SANMLTNESA-N 430.504 4.084 10 40 IICB COc1cc(/C=C2/N=C(c3ccccc3)N(c3ccc(N(C)C(C)=O)cc3)C2=O)ccc1O 8955751 DJQXMDJJOTUQEY-PXLXIMEGSA-N 441.487 4.218 10 40 IICB CN(c1ccccc1C(=O)NCc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccccc1 10113600 RXZVWZKDBKFEOS-UHFFFAOYSA-N 449.576 4.042 10 40 IICB C/C(NCCSCc1nc[nH]c1C)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 13182255 IGZPPYRJOGIPII-PYCFMQQDSA-N 431.565 4.266 10 40 IICB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccccc1C 41082460 HOGVJIHUYLOYBN-CLYJROEGSA-N 447.491 4.302 10 40 IICB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/NC1=CC=C[C@@H]2C(=O)c3ccccc3C(=O)[C@H]12 101128751 AAUDKFJWTSXTGY-JBZIOCGGSA-N 437.499 4.265 10 40 IICB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OC(C)C 408799100 JTBQEJOMPDOUQU-CXUHLZMHSA-N 442.899 4.419 10 40 IICB Cc1cc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)N=C2O)c(C)n1-c1ccc(C(=O)O)cc1 20064287 RCKISWKGKWTZRE-FYJGNVAPSA-N 443.459 4.295 10 40 IICB Cc1ccc(Cn2cc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)cc1 41076799 RNWXCIQTMCGKKR-LPYMAVHISA-N 439.471 4.253 10 40 IICB CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCc1cccc(C)c1 59167697 GUYZQJOJNIRUJG-YBFXNURJSA-N 443.546 4.259 10 40 IICB COc1ccc(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c(OC)c1 1450824 ZCOMHGGFCGFOJS-NDENLUEZSA-N 445.562 4.165 10 40 IICB COc1ccc(NC(=O)c2ccc(CN3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 12558074 AMCXGIFRHIANTJ-UHFFFAOYSA-N 431.536 4.278 10 40 IICB O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 69592530 ZUOYWVJTGOCIAH-YADHBBJMSA-N 426.513 4.163 10 40 IICB O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 106158422 PJFIVFZCJGSHRC-UHFFFAOYSA-N 441.578 4.079 10 40 IICB Cc1cccc(N2CCN(C3=NC(=O)/C(=C\c4c[nH]nc4-c4ccccc4)S3)CC2)c1 8682614 NIODHFWLUWHXCB-RCCKNPSSSA-N 429.549 4.178 10 40 IICB aggregator CC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3F)SC2=S)cc1 8819240 GQPNCJBZMSJBPG-PDGQHHTCSA-N 428.510 4.258 10 40 IICB Cc1c(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc2n1C 9311447 NYLJWPNINXLXOG-UVTDQMKNSA-N 428.275 4.460 10 40 IICB Cc1cc(C(=O)CN(C)Cc2ccc(N3CCOCC3)cc2)c(C)n1Cc1ccccc1 14095906 KWYZOAKWYVLOAD-UHFFFAOYSA-N 431.580 4.305 10 40 IICB CN(C)c1ccc([C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)N2CCOCC2)cc1 22664851 HTDXFNDEPHFQOJ-SANMLTNESA-N 429.564 4.223 10 40 IICB CC(C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 35152528 RICZWJHSBMUHSA-ZSOIEALJSA-N 435.705 4.351 10 40 IICB Cc1cccc(N2C(=O)[C@H]3[C@@H](c4ccc(N(C)C)cc4)N(c4ccccc4)O[C@H]3C2=O)c1 102715625 VVTKWUUSERNDRC-RBZQAINGSA-N 427.504 4.112 10 40 IICB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)c3ccc(N4CCCCC4)cc3)ccc21 223330232 VCRUWKXGLCSCTE-GOSISDBHSA-N 441.597 4.016 10 40 IICB CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1C 223615668 BSBIAEAANNTLQB-DNQXCXABSA-N 434.609 4.406 10 40 IICB COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 408588341 VPUQHONHVXQFCZ-QINSGFPZSA-N 443.883 4.243 10 40 IICB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1Cl 408809373 HLKIPFCEZKZUMV-SFQUDFHCSA-N 428.872 4.194 10 40 IICB CC(C)Oc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1Br 408865291 CWJYQANCPSYFLO-LCYFTJDESA-N 447.260 4.042 10 40 IICB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2ccc(C)cc2C)C1=O 409239400 MKTRKVBSJSYLSZ-XDJHFCHBSA-N 429.476 4.159 10 40 IICB COc1ccc2ccccc2c1/C=C1/SC(=S)N(NC(=O)c2cccs2)C1=O 409332955 TVZOMISVHBXVKW-GZTJUZNOSA-N 426.544 4.456 10 40 IICB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1c(C)cccc1C 41078516 XALNJWUSGFEFJS-ATUMBRMBSA-N 447.491 4.220 10 40 IICB COC(=O)C[C@@H](c1ccc(C)o1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96222741 YDODPLRRKQIYJX-AWEZNQCLSA-N 436.416 4.173 10 40 IICB biogenic COC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1 1104345 MJFAILXRFZNXAG-DHDCSXOGSA-N 434.882 4.441 10 40 IICB COc1ccc(N2CCN(c3ncccc3-c3nc(-c4ccccc4C)no3)CC2)cc1 8586943 DZVDAFZZWSOUGG-UHFFFAOYSA-N 427.508 4.442 10 40 IICB COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccc(C)cc1 32111773 JNZLFENXLMGLTP-VCHYOVAHSA-N 430.913 4.342 10 40 IICB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCc1cccc2ccccc12 59139500 CKYAPVADVNFGOB-UHFFFAOYSA-N 446.528 4.026 10 40 IICB COc1ccc(N/C=C2\C(=O)N=C(S)N(c3cccc4ccccc34)C2=O)c(OC)c1 102554373 XJJOHXUPRLKFRK-GHRIWEEISA-N 433.489 4.012 10 40 IICB COc1cc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)ccc1O[C@@H](C)C(=O)O 210936336 NTUNPEYIKWDFLG-MTUBTWAWSA-N 432.885 4.283 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OC 409009702 BMMNOFWEZPZPCG-CXUHLZMHSA-N 444.940 4.195 10 40 IICB Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)c2C)cc1F 8726293 QLXBHELFOANFAQ-SANMLTNESA-N 445.494 4.118 10 40 IICB CCC1=NN2C(=N)/C(=C/c3cccc(OCCOc4ccccc4C)c3)C(=O)N=C2S1 9066510 ZZMZWDWLZCHRFV-ZUGBYVCQSA-N 434.521 4.482 10 40 IICB CC[C@H](C)Oc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Cl 15013143 YQCSSUPYTOHHFL-GVIGZQTCSA-N 432.904 4.488 10 40 IICB CCOC(=O)c1c(NC(=O)[C@H]2CC(Cl)=CC[C@H]2C(=O)O)sc2c1C[C@@H](C)CC2 36054513 WMEVKHIFKJNYTR-UHTWSYAYSA-N 425.934 4.222 10 40 IICB O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1nc(Cl)ccc1Cl 58356400 IHGFWQSFDXKVDC-UHFFFAOYSA-N 434.245 4.174 10 40 IICB Cc1cc(-c2ccc(/C=C3\C(=O)N(C)C(=O)N(c4ccccc4)C3=O)o2)cc([N+](=O)[O-])c1C 59138958 ULICKNWEWVYFIT-CPNJWEJPSA-N 445.431 4.480 10 40 IICB CN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)N(C)C1=S 59139172 CTTMZOFOVOUBQY-UHFFFAOYSA-N 435.332 4.171 10 40 IICB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C\c1ccc(N2CCCCCC2)cc1 96904515 KCWOWXOFCLPHFT-SSZFMOIBSA-N 430.552 4.365 10 40 IICB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1O 409146026 PSRNKZSIMYHJNC-LICLKQGHSA-N 448.953 4.299 10 40 IICB Cc1cccc(OCC2=NN3C(=N)/C(=C/c4c(C)[nH]c5ccccc45)C(=O)N=C3S2)c1 41108399 LLXGXCKBBYWBIY-JERZPRFUSA-N 429.505 4.483 10 40 IICB CN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C(=O)N(C)C1=S 59139279 LLJDCLMKKAGDRZ-UHFFFAOYSA-N 435.332 4.171 10 40 IICB CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 1750302 MSBTWFQRYNHNGS-JXAWBTAJSA-N 440.546 4.093 10 40 IICB CC(C)C1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccccc4)cc3)C(=O)N=C2S1 8867679 MUOBWSMMRJNQET-FBIWUZAXSA-N 434.521 4.420 10 40 IICB O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)NCCc1c[nH]c2ccccc12 9046072 PBPOPDALLMVAMT-ZHZULCJRSA-N 435.574 4.118 10 40 IICB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C2=C(c3ccccc3)SCCO2)cc1 12324371 TYRIYABKLQBPBX-JOCHJYFZSA-N 438.593 4.392 10 40 IICB CC(C)[C@@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C/c2cccs2)SC1=S 33582642 DJNVJABGFYWXHZ-FSEPTYSPSA-N 446.619 4.038 10 40 IICB COc1cccc(-n2c(C)cc(/C=c3/sc4nc5cc(C)c(C)cc5n4c3=O)c2C)c1 409394053 UYMJLGWXZKNTQQ-FSJBWODESA-N 429.545 4.490 10 40 IICB O=C1/C(=C\c2ccccc2)SC(=S)N1CCC(=O)N1CCCC[C@H]1c1cccnc1 8740447 HOLVBYSBRGUJTL-AZGFIHASSA-N 437.590 4.427 10 40 IICB biogenic CC(C)(C)c1ccc(/C=C2\SC(=S)N(CCC(=O)NCc3cccnc3)C2=O)cc1 19927813 BXCALKMSDBJJML-UYRXBGFRSA-N 439.606 4.287 10 40 IICB CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(OC)cc4OC)c3C)C(=O)N=C2S1 34262322 JNTLGLFVOBDRKY-BHBBQXGTSA-N 437.525 4.141 10 40 IICB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccn1 223299770 COTREUNHWKPNTF-CDNPAEQRSA-N 433.581 4.036 10 40 IICB CCc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccc(N(C)C)cc3)C2=O)cc1 102721929 KRWAHTYTUHKDKY-CCDWMCETSA-N 441.531 4.366 10 40 IICB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCCC3)C2=O)cc1OC 8819946 VRSQDDVTOHMEMU-CYVLTUHYSA-N 448.610 4.088 10 40 IICB CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C(=O)OC(C)C)C1 102345564 OUQDCSTZHCGKIT-ZCHQSPEWSA-N 431.554 4.290 10 40 IICB COc1cc(NS(=O)(=O)c2ccc(C)cc2)c(C(=O)c2ccc(C)cc2)cc1OC 2312248 LFJIGOPQJAQMJO-UHFFFAOYSA-N 425.506 4.352 10 40 IICB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1 408809672 IGLGXSKJOYEFHA-DEDYPNTBSA-N 448.862 4.291 10 40 IICB CCn1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)c2ccccc21 409335740 ZDOHUPCZUGPWRP-UNOMPAQXSA-N 437.546 4.216 10 40 IICB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2F)cc1 408887810 RDWVFAQUIWHAGI-ZHZULCJRSA-N 432.476 4.236 10 40 IICB Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C2=O)c1 409237311 HXJFUMHSGVCOEU-SRZZPIQSSA-N 429.476 4.224 10 40 IICB COc1cc(/C=C2/C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OC 12418450 ATYPXBXHSKMKIC-WZUFQYTHSA-N 427.671 4.125 10 40 IICB CCN1c2ccccc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C 4044199 NKWFQGWPVQWBMI-UHFFFAOYSA-N 435.592 4.381 10 40 IICB COc1cc(Br)cc([C@@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)c1O 12537557 USFVQVOESFJXTL-OAHLLOKOSA-N 431.208 4.292 10 40 IICB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 59194163 IYRQNQJDJIMPNB-UYRXBGFRSA-N 448.862 4.029 10 40 IICB COc1ccc([C@@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc1O 96116151 IPFIBQOGDMTRHP-AWEZNQCLSA-N 446.411 4.026 10 40 IICB biogenic CC(C)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 408741961 SZAPURIJYYHXGN-WOJGMQOQSA-N 443.297 4.150 10 40 IICB CC[C@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cccc1OC 409148587 QQOBENCZSNPFKF-HZGBGQKMSA-N 438.549 4.321 10 40 IICB COc1ccc(N2CCN(C(=O)NC[C@H](C)c3nc4ccccc4n3C(F)F)CC2)cc1 32863357 WSNQOYBTXVGBHF-INIZCTEOSA-N 443.498 4.075 10 40 IICB Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1NC(=O)c1ccccc1 409215510 AEJGAYUSIGMEAR-BKUYFWCQSA-N 448.910 4.235 10 40 IICB COc1ccc(N2C(=O)/C(=C\c3ccccc3OCC(=O)O)SC2=S)cc1Cl 409335678 YKTDSYRJOUCVFL-LZYBPNLTSA-N 435.910 4.218 10 40 IICB CC1=NN2C(=N)/C(=C\c3ccc(OCCOc4cc(C)ccc4C)cc3)C(=O)N=C2S1 8983669 DVYWBTZKBKBNRQ-YCWTWADVSA-N 434.521 4.400 10 40 IICB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)c(C)c1 97951966 OXOJCPIGDKKQKH-SDHOMARFSA-N 441.531 4.421 10 40 IICB CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)NC2=S)cc1 409235993 DVECICBCMDDGCZ-CPNJWEJPSA-N 437.540 4.381 10 40 IICB O=C(c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 223266139 MDTWVJQQEBXIBQ-UHFFFAOYSA-N 446.528 4.018 10 40 IICB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)c2C)cc1 409233932 IQCIWDKAFZPDJY-HZHRSRAPSA-N 443.503 4.364 10 40 IICB Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc2c(c1)OCO2 661802 WMMNNKNNLIODNG-KEBDBYFISA-N 433.439 4.055 10 40 IICB COc1ccc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)c(OC)c1 894244 KDFVGQWRIHKAFS-UHFFFAOYSA-N 438.465 4.140 10 40 IICB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)NC12CC3CC(CC(C3)C1)C2 8820312 BNARYTXZHQIGRA-VCHYOVAHSA-N 430.595 4.346 10 40 IICB O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1cccn1-c1ccc(O)cc1 15013505 GLXLATPCGNXTGM-PTNGSMBKSA-N 442.258 4.156 10 40 IICB O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCN(Cc3ccccc3)CC1)c2Cl 25355335 SCPSSPWYOKOHCP-UHFFFAOYSA-N 444.918 4.073 10 40 IICB CN(C)c1ccc([C@@H](CC(=O)c2c(O)c3ccccc3n(C)c2=O)Nc2cccnc2)cc1 100361857 DKPPEIFUNZVUKC-OAQYLSRUSA-N 442.519 4.131 10 40 IICB O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Br)cc1 409211242 NDDYILGOMLLDDM-KPKJPENVSA-N 440.080 4.422 10 40 IICB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1 33417702 FXNAPFCKFHRYII-XDHOZWIPSA-N 436.851 4.174 10 40 IICB CN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(O)cc3)=NN12 10214215 MRMUVQJMZHDEMM-IBGZPJMESA-N 428.330 4.120 10 40 IICB O=C(O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4F)C(=S)N=C3O)o2)cc1 16955888 IVEMSGHVLIZORC-PTNGSMBKSA-N 436.420 4.456 10 40 IICB COc1cc(Br)c(/C=C2\C(=O)N(c3ccccc3)C(=S)N=C2O)cc1OC 33402801 JXOOOWUEHUERNI-JYRVWZFOSA-N 447.310 4.138 10 40 IICB COc1ccc(N2CCN(C(=O)CCc3nc(-c4ccc(C(C)C)cc4)no3)CC2)cc1 225836572 BTIRJSXWGJYHOC-UHFFFAOYSA-N 434.540 4.150 10 40 IICB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 408797309 CIEZNWMRIKLUBB-FYJGNVAPSA-N 448.862 4.291 10 40 IICB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)c1 409094505 FPJAHKPNQASQRO-LPYMAVHISA-N 446.482 4.073 10 40 IICB CN(C)c1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 15674150 XBZOHASLKVUNOC-MOPGFXCFSA-N 432.446 4.129 10 40 IICB biogenic,in-vitro CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(Cl)c3)C2=O)cc1 408900365 SEEUQUHKKNLOJH-ATVHPVEESA-N 428.872 4.194 10 40 IICB COc1ccc(CCN2C(=O)c3ccccc3N[C@H]2c2ccc(N3CCOCC3)cc2)cc1 12534692 JMXQRZVXHKNHJC-AREMUKBSSA-N 443.547 4.341 10 40 IICB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccn1 223452213 CLDQOJUHCVSIMR-ZEQRLZLVSA-N 440.576 4.452 10 40 IICB CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1C 223615718 BSBIAEAANNTLQB-RPWUZVMVSA-N 434.609 4.406 10 40 IICB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(Br)ccc1OC 408892793 JODQJCDRZRPOAS-ATVHPVEESA-N 434.330 4.463 10 40 IICB COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)o1 408963201 XVTHATOXVKPWHI-DEDYPNTBSA-N 444.443 4.016 10 40 IICB CCCCNC(=O)CCCCCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S 8820114 NMEJBLYCHQJCPN-SDXDJHTJSA-N 448.610 4.151 10 40 IICB O=S(=O)(Nc1ccc2c(c1)OCO2)c1c(Cl)cc(Br)cc1Cl 9632742 UUFBXMSDTLWNRU-UHFFFAOYSA-N 425.087 4.285 10 40 IICB COCCn1c(-c2ccc(F)cc2)cnc1SCC(=O)N1c2ccccc2C[C@H]1C 13509921 CYFZVWIHOBSJJG-MRXNPFEDSA-N 425.529 4.406 10 40 IICB CCN(CC)c1ccc(CN(C(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 28251049 QAOXONSVQHWZME-DNVJHFABSA-N 446.657 4.287 10 40 IICB COc1ccc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)c(OC)c1 33387392 AWXNYLOIODYDGG-KGENOOAVSA-N 429.432 4.447 10 40 IICB CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)c(OCC)c1 33452571 BOJJLOVEJJCFMF-LDADJPATSA-N 428.535 4.030 10 40 IICB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OC(=O)c1ccc(C)cc1 41078442 KFRWRYLXQDDRKK-JKGLIZDUSA-N 431.448 4.063 10 40 IICB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1Cc1ccccc1F 408869318 QWXYJMKCIYPPAV-PDGQHHTCSA-N 448.425 4.231 10 40 IICB COC(=O)c1ccc(/C=C2/N=C(c3ccc(OC)cc3)N(c3ccc(OC)cc3)C2=O)cc1 408999736 XNLYRADBTDDTGQ-XQNSMLJCSA-N 442.471 4.325 10 40 IICB COC(=O)C1=C(C)N(c2ccc(C(F)(F)F)cc2)C(=O)/C1=C\c1ccc(C(=O)O)cc1 409383092 RGZMYOWXRVSHMD-BOPFTXTBSA-N 431.366 4.281 10 40 IICB Cc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c(C)n1-c1cccc([N+](=O)[O-])c1 83309648 XGRLODCBISDRBZ-VXLYETTFSA-N 434.408 4.098 10 40 IICB CN(C)c1ccc([C@H](CNC(=O)c2cccc(F)c2)N2CCN(c3ccccc3)CC2)cc1 16914531 NAUMKODRWOXYRW-SANMLTNESA-N 446.570 4.185 10 40 IICB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1Br 408800162 NHZHAWLHCKKFJF-RVDMUPIBSA-N 443.297 4.213 10 40 IICB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1Cl 409046735 LNJZUQGRTSJCRQ-RIYZIHGNSA-N 435.263 4.067 10 40 IICB O=C1N=C(N2CCN(c3ccc(F)cc3)CC2)S/C1=C\c1ccccc1Br 9187960 IWJLZOURTYWRSJ-AQTBWJFISA-N 446.345 4.381 10 40 IICB CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)SC1=S 13940765 LMKUVFXNCIMYHQ-BOPFTXTBSA-N 444.490 4.044 10 40 IICB Cc1ccc(-c2ccc(/C=C3/SC(=S)N(CC(=O)O)C3=O)o2)c(Br)c1 15012173 LSWBAHHPSLYGGY-VGOFMYFVSA-N 438.324 4.303 10 40 IICB O=C(COc1ccc(/C=C2\SC(=S)NC2=O)cc1)Nc1ccc(Cl)c(Cl)c1 15056000 DNTACUVDXKKRRO-CHHVJCJISA-N 439.345 4.500 10 40 IICB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OC(=O)c1ccccc1 41078450 DJXQZCQXYUXKAZ-FWDDTQSRSA-N 437.839 4.018 10 40 IICB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)cc21 208454821 HYZYECXLWWSWEH-RGVLZGJSSA-N 433.483 4.432 10 40 IICB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C)c1C 223650195 VQEFGDIMXJTOEU-DNQXCXABSA-N 448.592 4.333 10 40 IICB CCOC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1C 225839036 YTDYTJZCOVZDAN-QGZVFWFLSA-N 427.570 4.056 10 40 IICB CCOc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c1 408878386 AGBQRPIVFOSUHG-LICLKQGHSA-N 443.297 4.131 10 40 IICB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 409231282 JNWAYUGCGSAZMY-ZROIWOOFSA-N 428.231 4.315 10 40 IICB COc1ccccc1OCCCOc1c(/C=C2\SC(=S)N(C)C2=O)cccc1OC 9659789 RHALNUIEDVAXCN-RGEXLXHISA-N 445.562 4.383 10 40 IICB O=C(O)CCN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S 12374709 YQGDLHYELOLTHU-NTEUORMPSA-N 438.324 4.385 10 40 IICB COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1OC(C)C 409243465 WOLLZXYFMMFMDZ-RVDMUPIBSA-N 428.872 4.111 10 40 IICB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 409391410 ICIHLOZOLBWJNB-UVTDQMKNSA-N 428.231 4.315 10 40 IICB C=C1c2ccccc2C(=O)N1CC(=O)OCC(=O)c1cc(C)n(-c2ccccc2F)c1C 9470837 DAVCBAMFHDAVLP-UHFFFAOYSA-N 432.451 4.086 10 40 IICB COc1ccc(N2CCN([C@H](c3ccc(Cl)cc3)c3nnnn3C(C)(C)C)CC2)cc1 13503973 CUZJXIODKXJZJY-OAQYLSRUSA-N 440.979 4.002 10 40 IICB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 33784649 SNBMTSQHNRTPBP-UNOMPAQXSA-N 449.850 4.289 10 40 IICB O=S(=O)(c1ccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)cc1)N1CCOCC1 253490387 IMVKAGZGDRSPDF-LQWHRVPQSA-N 430.957 4.187 10 40 IICB NC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 409001762 KDIPRCAMJLUSLV-GHFCYRQVSA-N 445.479 4.211 10 40 IICB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2)C1=O)Nc1cccc(F)c1 409243323 XOTRYQGJMCWGKQ-DEDYPNTBSA-N 439.512 4.491 10 40 IICB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NC1CC(C)(C)NC(C)(C)C1 103918176 YZYMADJNTXVVDQ-HKWRFOASSA-N 427.549 4.270 10 40 IICB COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C)c2C)c([N+](=O)[O-])c1 222746204 HQHYHMGGERITLP-RTWAWAEBSA-N 437.525 4.008 10 40 IICB Cc1cc(/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1ccccc1F 4650197 NMJWOQXCLFCTRZ-XCOJNYNVSA-N 433.468 4.494 10 40 IICB Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(O)c(Sc3ncn[nH]3)c2)c1C 8859972 HFCBRGGGUDOHCQ-UHFFFAOYSA-N 432.571 4.377 10 40 IICB COC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CC[C@H](C(C)(C)C)C2 17098566 AOFOZLCGOQZXJB-BCBCSNLJSA-N 433.570 4.371 10 40 IICB COc1ccc(C2=C/C(=C/c3cc(Br)cc(OC)c3OC(C)=O)C(=O)O2)cc1 408744626 YZIWLMPJODRUOZ-NVNXTCNLSA-N 445.265 4.373 10 40 IICB COc1cccc(/C=C2\SC(=S)N(C)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409347683 NBJNAJSUPUHVAC-NVNXTCNLSA-N 447.450 4.135 10 40 IICB Cc1cc(/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1Cc1ccccc1 9347757 MZZYHZSXZOWOGU-ODJOWLHGSA-N 429.505 4.414 10 40 IICB CN1CCc2cc([C@H](CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)N3CCCCC3)ccc21 11613048 NSTONDIXAZDZHI-QFIPXVFZSA-N 442.947 4.198 10 40 IICB CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1ccc(C(=O)O)cc1 20036771 BQDMOQIYLYNIMB-YBEGLDIGSA-N 428.286 4.483 10 40 IICB COc1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 35349263 FNINROSEHUYVGR-RUZDIDTESA-N 429.564 4.291 10 40 IICB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 100931035 MZNNTWODNNLXLW-CPNJWEJPSA-N 446.960 4.135 10 40 IICB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cccc(F)c4)cc3)C2=O)cc1 408867454 KVZFZCSHIIQUHP-PXLXIMEGSA-N 430.435 4.092 10 40 IICB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(N3CCCC3)cc2F)C(=O)NC1=S 409102245 YAJQUKGLNKEACX-LFIBNONCSA-N 443.931 4.219 10 40 IICB Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)c(Cl)c1 409144600 KYYHRRMULPHMQG-OQLLNIDSSA-N 433.898 4.103 10 40 IICB Cc1ccc(Cn2cc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)cc1 2231235 RNWXCIQTMCGKKR-XKZIYDEJSA-N 439.471 4.253 10 40 IICB CC(=O)N1C(=O)/C(=C2\SC(Nc3ccc(Cl)cc3Cl)=NC2=O)c2ccccc21 2295558 QVZBFBXUKRTWES-NXVVXOECSA-N 432.288 4.339 10 40 IICB CCC(=O)N1[C@H](C)CN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(N(CC)CC)cc1 5945922 WOCGICRUBPNGLD-DVECYGJZSA-N 443.613 4.171 10 40 IICB CC(C)C1=NN2C(=N)/C(=C/c3ccccc3OCCOc3ccccc3)C(=O)N=C2S1 27533868 KATIHWFLTCUOAE-CQNRAENFSA-N 434.521 4.420 10 40 IICB CC[C@@H](C)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 33367306 LYMZFIVRDACKRQ-YDRQLGOLSA-N 445.313 4.096 10 40 IICB CCN1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2Cc2cc(C)c(C)cc2O)CC1 72240539 GMAGUZRDLMCUCP-OYDLWJJNSA-N 427.633 4.085 10 40 IICB Cc1cc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCO)c2C)c(C)c1 223582089 QZPZOBKHBQTBKN-UPVQGACJSA-N 434.609 4.379 10 40 IICB O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)NCCc1c[nH]c2ccccc12 33588827 PBPOPDALLMVAMT-XSFVSMFZSA-N 435.574 4.118 10 40 IICB CCOc1ccc(OCC)c(N2C(=O)N=C(O)/C(=C\c3ccc(OC)c(OC)c3)C2=O)c1 59104474 ACUHOCWLTMAJAY-LFIBNONCSA-N 440.452 4.008 10 40 IICB CC(=C\c1ccccc1)/C=C1/SC(=S)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 16890246 IHPZFENKKAZOAP-QKIOLIMFSA-N 425.491 4.087 10 40 IICB COCCCN1C(=O)/C(=C/c2cc3ccccc3nc2N2CCCCC2)SC1=S 20310847 ANSYNLBNAFBQRX-CYVLTUHYSA-N 427.595 4.463 10 40 IICB CC[C@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cccc1OC 409231046 HWFLBQZUXDUMOM-HZGBGQKMSA-N 438.549 4.321 10 40 IICB CCc1cc(=O)oc2c(CNC3CCN(Cc4ccccc4)CC3)c(O)c(Cl)cc12 6764241 ZEUVWHYTAZCREM-UHFFFAOYSA-N 426.944 4.469 10 40 IICB COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C(=O)O)c3)C2=O)cc(OC)c1OC 8828395 LMHHWVXICAVRNZ-MFOYZWKCSA-N 445.518 4.125 10 40 IICB Cc1cc(NC(=O)COc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)ccc1Cl 9235577 VWYKUTYUUZSVNA-LICLKQGHSA-N 432.954 4.497 10 40 IICB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)C3CCN(C(=O)C(C)(C)C)CC3)c2C)cc1 21511118 FKDMOFDZZYPMIU-UHFFFAOYSA-N 438.568 4.413 10 40 IICB CN1CCN([C@H](CNC(=O)c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)CCCN3C)CC1 22734851 XXDFXQKXBVZIFB-AREMUKBSSA-N 448.655 4.085 10 40 IICB CCN(CC)c1ccc(CN(C(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 54317469 QAOXONSVQHWZME-VJBWXMMDSA-N 446.657 4.287 10 40 IICB COc1ccc(Cl)c2ccc(/C=C3\SC(=S)N([C@@H](C(=O)O)C(C)C)C3=O)nc12 54360932 RHFBJJRBXZQROT-WPMUKRGUSA-N 436.942 4.207 10 40 IICB COc1cc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C(C)(C)C)cc(OC)c1OC 100302660 YRGMJAJXLWWQGE-BOPFTXTBSA-N 439.468 4.453 10 40 IICB COc1ccc(N2CCN(C(=O)CC34C[C@@H]5C[C@H](CC(Br)(C5)C3)C4)CC2)cc1 102583811 TVTXUEOUNIVRJW-FFACFXHASA-N 447.417 4.468 10 40 IICB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(Cc2cccc(F)c2)c1 408875755 HJZAKKLJNODKCE-JCMHNJIXSA-N 446.503 4.256 10 40 IICB CCOc1cc(Cl)c(Cl)c([C@@H]2NC(=O)c3c(sc4c3CCN(C)C4)N2)c1O 9333884 NYAOIZJXJZAAAS-MRXNPFEDSA-N 428.341 4.001 10 40 IICB COc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)ccc1OCc1ccc(C)cc1 33378302 FOKDBSIPVQNVEY-XDHOZWIPSA-N 443.546 4.259 10 40 IICB O=C1/C(=C/NCCc2ccccn2)C(c2ccccc2)=NN1c1nc2ccccc2s1 100698749 LJKYOFFTERVUPE-KNTRCKAVSA-N 425.517 4.158 10 40 IICB COc1ccc2cc(/C=C3\SC(=S)N([C@H](C(=O)O)C(C)C)C3=O)c(Cl)nc2c1 256055679 PKTBUNATOUCKBJ-GSHXUFRSSA-N 436.942 4.207 10 40 IICB CC[C@H](C)Oc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC 408902599 KVTQSRSJKSBSNS-RGZVIEDOSA-N 446.862 4.331 10 40 IICB CC(C)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl 409044123 AYIFVWMZDVJCHP-VIZOYTHASA-N 449.290 4.400 10 40 IICB CC(C)N1C(=O)/C(=C\c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)SC1=S 9613024 RTJGAAKITVPVHN-WOJGMQOQSA-N 430.526 4.453 10 40 IICB CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)O 210456723 KKMWPSVPRNFSQW-WQRHYEAKSA-N 429.519 4.263 10 40 IICB Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)c1 223265807 ZGZPSWUFQJZAET-ZEQRLZLVSA-N 433.625 4.332 10 40 IICB COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)c1 223269796 NUAPSWJNEVCAED-ZEQRLZLVSA-N 449.624 4.032 10 40 IICB COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1C 260843431 RTCRSNFIYPNGFN-WMZOPIPTSA-N 430.570 4.057 10 40 IICB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2C)nc1 409131841 PBJHFDCSJGBIDZ-UDWIEESQSA-N 444.560 4.246 10 40 IICB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3c(Cl)cccc3Cl)C2=O)cc1OC 409216239 GLXMKKNAKSLDSN-SDNWHVSQSA-N 449.290 4.457 10 40 IICB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccccc3F)c2C)C1=O 409238586 FAIFEHGHIHNFTD-NBVRZTHBSA-N 447.466 4.298 10 40 IICB COC(=O)[C@@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 2448786 RFAJRKWQTJNEBK-SMIHKQSGSA-N 435.479 4.293 10 40 IICB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccncc1 8451353 RBXVTBRREZJBBJ-HYARGMPZSA-N 444.560 4.444 10 40 IICB CC(=C\c1ccccc1)/C=C1/SC(=S)N(NC(=O)c2ccccc2[N+](=O)[O-])C1=O 17373699 BYMVPSWDCRIMSD-QKIOLIMFSA-N 425.491 4.087 10 40 IICB CCN1CCN(Cn2cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c3ccccc32)CC1 20566343 VRZILHFLMAUKTG-JJIBRWJFSA-N 427.552 4.042 10 40 IICB COc1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=S)N=C2O)cc1OC 59198483 PRULBDMTMKSLCQ-NTEUORMPSA-N 447.310 4.138 10 40 IICB CN(C)c1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)cc1 409227077 XIJUASRKAMPXPY-WOJGMQOQSA-N 445.338 4.434 10 40 IICB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(NCC(C)C)nc12 2251680 DSBIQHBFNAOKTR-BOPFTXTBSA-N 442.610 4.215 10 40 IICB O=C1N=C(O)/C(=C\c2cccn2CCOc2ccccc2Cl)C(=O)N1Cc1ccco1 2389915 HJQSWDZQPUOCLG-GHRIWEEISA-N 439.855 4.316 10 40 IICB aggregator CCOC(=O)COc1ccc(/C=C2/C(=O)N(c3ccccc3Cl)N=C2C)cc1OC 15930292 HMSCXSRHWXXISJ-LFIBNONCSA-N 428.872 4.097 10 40 IICB CN(C)c1ccc(/C=C2/C(=O)NN(c3ccc(Br)c4ccccc34)C2=O)cc1 16157497 MKYSFDVPZLYKMZ-AQTBWJFISA-N 436.309 4.130 10 40 IICB Cc1ccc(C2=NN3C(=N)/C(=C\c4cc(Br)ccc4O)C(=O)N=C3S2)cc1 27839430 HNYUUPHVMMZQHE-ICZFKYGZSA-N 441.310 4.131 10 40 IICB COc1cc(OC)c(OC)cc1/C=C1/SC(=S)N(c2ccc(N(C)C)cc2)C1=O 33351640 PRAQVYYURKAEQV-YBFXNURJSA-N 430.551 4.184 10 40 IICB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)c1 101004931 VVTKWUUSERNDRC-SGNDLWITSA-N 427.504 4.112 10 40 IICB O=C(COC(=O)CC1CCCC1)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 8829673 VPJKPQFPNJWADZ-UHFFFAOYSA-N 425.868 4.177 10 40 IICB aggregator Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCc3ccc(N(C)C)cc3)c2)cc1 18215362 HCKIWBBHBWGCGO-UHFFFAOYSA-N 437.565 4.100 10 40 IICB Cc1cc(C(=O)COC(=O)c2ccc(C(N)=O)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 23045435 ILGASSNEZIHNHK-UHFFFAOYSA-N 444.409 4.252 10 40 IICB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3Cl)C(C(=O)OC)=C2C)cc1 409017707 GTAQRVWZEBWBIB-AQTBWJFISA-N 425.868 4.394 10 40 IICB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)C2=O)cc1 409018515 WJYQCVDKOAGXLJ-OEAKJJBVSA-N 442.519 4.242 10 40 IICB CCCNC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O 409200160 HGLKILGSVLSTET-WQRHYEAKSA-N 431.945 4.310 10 40 IICB CCSc1nnc2c(n1)O[C@@H](c1cc(O)c(O)c(Br)c1)Nc1ccccc1-2 1084866 KYCYSBQFDBFWTJ-INIZCTEOSA-N 447.314 4.327 10 40 IICB CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(C)C(=S)N3C)c2C)cc1 2061649 NRGSCJVECVJMDO-ZHZULCJRSA-N 425.554 4.081 10 40 IICB CC/C(NCCCn1ccnc1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 8694833 BBPBHEXIFQRXET-DTQAZKPQSA-N 448.474 4.102 10 40 IICB COc1ccc(CCN2C(=O)/C(=C\c3nc4ccccc4n3C)SC2=S)cc1OC 8869977 FCMQYSMYBZSXCY-CPNJWEJPSA-N 439.562 4.034 10 40 IICB Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)c(C)n1-c1ccc(OC(F)F)cc1 20833544 CQNNLMKYCHWQPQ-UHFFFAOYSA-N 434.351 4.236 10 40 IICB COc1ccc(CCN2C(=O)/C(=C/N3CCc4ccccc4C3)SC2=S)cc1OC 30819317 RQHZQLVNXRTDSC-QNGOZBTKSA-N 440.590 4.006 10 40 IICB CCOc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)ccc1OC 83292683 FFQPDHVRJYIKKB-XNTDXEJSSA-N 445.269 4.363 10 40 IICB CCCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2)NC1=S 409081793 QPSQTOYCNRZWPX-ATVHPVEESA-N 431.355 4.496 10 40 IICB C[C@@H](NC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 9703751 FYXWOPXHTAPNMW-CQSZACIVSA-N 447.874 4.150 10 40 IICB CC(=O)N1CCC[C@@H](NCc2ccc(N3CCOCC3)cc2C)[C@@H]1c1ccc(C)s1 19217332 VZCNSXBPBDJMAA-ISKFKSNPSA-N 427.614 4.043 10 40 IICB Cc1cc(N2CCCC2)ccc1/C=C1/C(=O)NC(=S)N(c2cccc(Cl)c2)C1=O 19877786 GVESNCJOGOHISN-UNOMPAQXSA-N 425.941 4.080 10 40 IICB O=C1N=C(O)/C(=C/c2coc3ccccc3c2=O)C(=O)N1c1ccc(Br)cc1 20332203 WPVBMFIOCJPZSR-DHDCSXOGSA-N 439.221 4.062 10 40 IICB CC(=O)NC1=NC(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)S1 32109982 KODFSBJCSWBVOF-RQZCQDPDSA-N 449.301 4.274 10 40 IICB Cc1cc(/C=C2/C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 59138712 XUFWSCVRCNPAJI-STZFKDTASA-N 444.447 4.011 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)cc1 408777014 UPUKJFRIDZQYOE-XDHOZWIPSA-N 445.431 4.446 10 40 IICB O=C1NC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1ccc(O)cc1 408939357 RWGKHPLUYLZQOG-DEDYPNTBSA-N 448.862 4.291 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc(Cl)c1OCC 409251418 QFCYOTOGMZOJOW-XNTDXEJSSA-N 444.940 4.277 10 40 IICB CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc1OC 1298593 PITCWEHHMPLGKJ-YVLHZVERSA-N 448.953 4.294 10 40 IICB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O 2657725 AZKPZOAHTOAKCK-AREMUKBSSA-N 429.520 4.443 10 40 IICB CN1CCc2cc([C@H](CNC(=O)c3cccc(Br)c3)N3CCCCC3)ccc21 13007759 JYGNJJALEWHINN-QFIPXVFZSA-N 442.401 4.398 10 40 IICB CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1ccc(N(C)C)cc1 20802760 KOHXXMVTZUMICC-GOTSBHOMSA-N 448.567 4.264 10 40 IICB CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\Nc1ccc([N+](=O)[O-])cc1O 408536279 VSRNUXMJTNBOAU-ZROIWOOFSA-N 431.246 4.090 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(C)nn(-c4ccc(C)cc4C)c3C)C2=O)c(C)c1 408756996 LGJRINYFGZVBDL-FYJGNVAPSA-N 442.519 4.389 10 40 IICB COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl 409056903 NJJBMLLIQXKXAH-LFYBBSHMSA-N 425.655 4.322 10 40 IICB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1OC 409251324 PBIITTMDJRWDNB-WDGDVPDHSA-N 444.940 4.357 10 40 IICB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)c(C)n1-c1ccccc1 12534553 CIUJZUFCUYHXBF-MHZLTWQESA-N 441.531 4.451 10 40 IICB COc1ccc2oc(C)c(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)c2c1 84026955 ANFWYBWWPBZUGZ-GJZGRUSLSA-N 426.488 4.433 10 40 IICB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cc(OC)c(OC)cc1C(=O)OC 103919276 UXURQRSMQVZPEU-JCMHNJIXSA-N 437.496 4.379 10 40 IICB NC(=O)C[C@H](NC(=O)Oc1ccccc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 408999719 ROULXGJNMSDGHN-IJOGZLALSA-N 431.452 4.073 10 40 IICB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccccn4)c3C)C2=O)cc1 409232853 BWCBNQKVFZPWAT-MOSHPQCFSA-N 446.532 4.473 10 40 IICB CN(C)c1ccc(CN(C[C@@H]2CCCO2)S(=O)(=O)C2=Cc3ccccc3CC2)cc1 8026666 CFORLPRMCZHYCA-QHCPKHFHSA-N 426.582 4.051 10 40 IICB C[C@H](C(=O)N1CCCC[C@@H]1c1cccnc1)N1C(=O)/C(=C/c2cccs2)SC1=S 9253459 MZIJFTQMUGABSG-SSPMVUGISA-N 443.619 4.487 10 40 IICB biogenic O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1CC(=O)N1CCCC[C@@H]1c1cccnc1 33542904 BPOLYMDTYKKTPM-LSCADSNKSA-N 441.553 4.176 10 40 IICB COc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccccc2OC)cc1 408842159 MZCUCXSDTPLZJV-DEDYPNTBSA-N 428.444 4.267 10 40 IICB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3Cc3cccc(C)c3)C2=O)cc1Cl 2211798 PAFTYPIXJGJYCI-UNOMPAQXSA-N 449.894 4.173 10 40 IICB COc1ccc(N2CCN(c3nc(C)c4c(n3)C[C@H](c3ccccc3F)CC4=O)CC2)cc1 10156593 CNRAGDRLHXFYIO-SFHVURJKSA-N 446.526 4.172 10 40 IICB CC(C)C1=NN2C(=N)/C(=C/c3cccn3-c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)N=C2S1 41083197 GKYPNKLDWOHAGF-XUTOWMMVSA-N 442.888 4.314 10 40 IICB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C/c2ccc([N+](=O)[O-])cc2)cc1 100424585 QOOTZLYGDYDHFK-KGENOOAVSA-N 444.403 4.346 10 40 IICB CCN(CC)c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1Br 139417989 HMCJUPSRYBIZMZ-PDGQHHTCSA-N 428.355 4.066 10 40 IICB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2O)c1C 223055108 RXTFZIRPGTZPCY-DHIUTWEWSA-N 436.581 4.204 10 40 IICB Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c1C 223582310 XGFFNYDFMYLVRY-VXKWHMMOSA-N 441.000 4.416 10 40 IICB COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 408873659 VWKNUMCPIZJBRW-VIZOYTHASA-N 449.688 4.086 10 40 IICB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3C)C2=O)o1 409242856 PJCZMIBTKGUVFN-PDGQHHTCSA-N 447.472 4.303 10 40 IICB CCOC(=O)c1c(NC(=O)C[C@H](NCCC2=CCCCC2)C(=O)O)sc2c1CCCC2 10186430 JMLPUGIHRJOHED-KRWDZBQOSA-N 448.585 4.066 10 40 IICB Cc1ccc(-n2c(C)cc(CC(=O)Nc3cc(C(N)=O)ccc3N3CCCC3)c2C)cc1 12595968 YODZXEKMUGPKSY-UHFFFAOYSA-N 430.552 4.283 10 40 IICB COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1Br 34377673 YLKJPRORTPTUGR-XNTDXEJSSA-N 449.351 4.004 10 40 IICB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)c3ccc(N4CCCCC4)cc3)ccc21 223330170 VCRUWKXGLCSCTE-SFHVURJKSA-N 441.597 4.016 10 40 IICB O=C1NC(=S)N=C(O)/C1=C\c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 3073047 LGLVFYQHJBBAGB-UHFFFAOYSA-N 442.503 4.110 10 40 IICB O=C(NN1C(=O)/C(=C\c2cccs2)SC1=S)c1ccccc1Br 8440017 BFNFEKPMJDRHPD-XYOKQWHBSA-N 425.354 4.057 10 40 IICB COc1ccc(/C=C2/SC(=S)N(NC(=O)c3csc4c3CCCC4)C2=O)cc1 16692930 HUBOXCPFYXWBJS-LICLKQGHSA-N 430.576 4.182 10 40 IICB CN1C(=O)/C(=C/c2ccc(C(=O)NCCc3c[nH]c4ccc(F)cc34)cc2)SC1=S 33589561 LRTHIVCTBPKWNQ-GRSHGNNSSA-N 439.537 4.111 10 40 IICB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C2=O)cc1 843371 RPMZZHATNUBMQA-UCQKPKSFSA-N 443.503 4.386 10 40 IICB COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C)SC4=NC3=O)c2C)cc1Cl 9309774 ZHGDIISPDQOUMR-HINGXDCCSA-N 427.917 4.395 10 40 IICB COc1ccc(N2C(=O)CN(c3ccc(C)cc3)C(=O)[C@H]2c2ccc(N(C)C)cc2)cc1 15413398 BQQJBIVZGXYLGI-RUZDIDTESA-N 429.520 4.191 10 40 IICB O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(O)c(Cl)c1 408776950 TUGYXPBIFVLSON-BJMVGYQFSA-N 427.696 4.184 10 40 IICB CC(=O)NC1=NC(=O)/C(=C/Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)S1 618254494 DHLNNJAJUFDXMX-QPEQYQDCSA-N 427.338 4.060 10 40 IICB O=C(NN1C(=O)/C(=C\c2cccc(F)c2)SC1=S)c1ccc(Br)cc1 1261239 JJTHCCFVEHZALY-NTEUORMPSA-N 437.315 4.134 10 40 IICB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCCOc1ccccc1 8453157 LQNOQCHSZAYZGG-OQKWZONESA-N 444.487 4.005 10 40 IICB Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@]4(CCCc5ccccc54)C3=O)c2C)cc1 8624027 ALQIPXPTAVNCNG-HHHXNRCGSA-N 441.531 4.369 10 40 IICB O=C(NN1C(=O)/C(=C\C=C\c2ccco2)SC1=S)c1ccccc1Br 8870234 UEPZMBBJZKZQCH-HNBAAQFOSA-N 435.324 4.145 10 40 IICB COc1ccccc1N1CC(=O)N(c2ccccc2F)[C@@H](c2ccc(N(C)C)cc2)C1=O 9129949 DXVURLXTNOVNSS-DEOSSOPVSA-N 433.483 4.021 10 40 IICB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc2oc(=O)ccc2c1 9348259 MFYIMPWLTJAABX-LLLGHMJXSA-N 448.525 4.189 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(C)nn(-c4ccc(C)c(C)c4)c3C)C2=O)cc1C 408758121 VOVWATXNGJDGCT-YDZHTSKRSA-N 442.519 4.389 10 40 IICB CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(O)c(OCC)c1 408767650 FXXIHGHOIALZCA-ZHZULCJRSA-N 437.492 4.457 10 40 IICB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(Cc2ccccc2F)c1 408866779 IWEBZTLJOGZYRY-PXLXIMEGSA-N 444.462 4.400 10 40 IICB CCOc1cccc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)c1OCC(=O)O 409213155 SUYZRSXZNGHSLI-GZTJUZNOSA-N 429.519 4.263 10 40 IICB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(Sc3ccccc3)o2)C1=O 409225828 LTOXHBQUBGXTAO-SAPNQHFASA-N 434.473 4.496 10 40 IICB Cc1cc(C2=NN=C(NC[C@H]3CCCO3)SC2)c(C)n1-c1ccc(OC(F)F)cc1 12546809 BBOCPJANZJLSBQ-QGZVFWFLSA-N 434.512 4.271 10 40 IICB Cc1cccc(N2CCN([C@H](c3ccc(N(C)C)cc3)c3nnnn3C(C)(C)C)CC2)c1C 20139408 COQSIURXWDMGHC-XMMPIXPASA-N 447.631 4.023 10 40 IICB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CSc2ncnc3sccc23)cc1 24746785 KMHMGQAPOJXCCM-SFHVURJKSA-N 442.610 4.057 10 40 IICB CC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc(C)cc4C)cc3)C(=O)N=C2S1 27840616 CDDFLMOPYXZBEJ-YCWTWADVSA-N 434.521 4.400 10 40 IICB CC(C)c1ccc(OCC(=O)NCc2ccc(N3CCOCC3)cc2)c(Br)c1 218875365 SCYJJLRZROVMFF-UHFFFAOYSA-N 447.373 4.104 10 40 IICB Cc1cc(N2C(=O)NC(=O)/C(=C\c3c(F)cccc3Cl)C2=O)ccc1Br 408767292 ZADRGYMHSRCLQV-XYOKQWHBSA-N 437.652 4.216 10 40 IICB CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OCC(=O)O 409093353 YZPPSFXEBDUHHA-QNGOZBTKSA-N 442.471 4.383 10 40 IICB CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 842986 TZOPYLFGTGECQN-QNGOZBTKSA-N 435.476 4.139 10 40 IICB COc1cccc([C@]2(C)NC(=O)N(CC(=O)c3cc(C)n(-c4ccc(C)cc4)c3C)C2=O)c1 13095407 LILMEYPYNGRKSS-SANMLTNESA-N 445.519 4.061 10 40 IICB CCCc1nc(S/C(=C\c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)C(=O)O)n[nH]1 408631391 IIVCFZBOHTUVOY-BOPFTXTBSA-N 426.498 4.081 10 40 IICB CCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(CC)cc2)C1=O 408987577 FUBRXRAMHSFNDB-ATVHPVEESA-N 443.297 4.077 10 40 IICB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccccn3)c2C)C1=O 409221273 NUPAVRINQIMRKW-MOSHPQCFSA-N 446.532 4.473 10 40 IICB CC[C@H](C)N1C(=O)/C(=C/c2c(NCC(C)C)nc3ccc(C)cn3c2=O)SC1=S 2252864 DOVJPOZRRSIXKI-CIKBWMHTSA-N 430.599 4.071 10 40 IICB CCSc1nnc(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)s1 9544905 SOMGGDJDZCGTKX-UHFFFAOYSA-N 441.559 4.156 10 40 IICB CC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccccc4Cl)cc3)C(=O)N=C2S1 13943275 UTYDIDVCPOOVQT-OMLAYDHKSA-N 440.912 4.437 10 40 IICB O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1cc2ccccc2nc1N1CCOCC1 96759030 ZDARPNJLKCRLAV-VKAVYKQESA-N 444.922 4.379 10 40 IICB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OC(C)C)C1=O 408895277 DMQUNQLQUYJSGH-WJDWOHSUSA-N 443.297 4.211 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCCOc3ccccc3)C2=O)cc1 8984380 LMIQSQRUPIIPNJ-XLNRJJMWSA-N 442.471 4.119 10 40 IICB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(-c2ccncc2)nc2ccccc12 10907083 SXALOHCGTCZKGP-UHFFFAOYSA-N 438.531 4.406 10 40 IICB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C 14010594 YGEKZOILJUTKIO-JCMHNJIXSA-N 436.552 4.420 10 40 IICB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)N=C2O)cc1 17112495 PEFLKYREMZELIF-XDHOZWIPSA-N 431.404 4.342 10 40 IICB Cc1c(NS(C)(=O)=O)cccc1C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 218579502 OAIXIIBBWNODLC-GOSISDBHSA-N 429.586 4.094 10 40 IICB Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1NS(C)(=O)=O 218597226 ACGXJFGUJJOFMO-AEFFLSMTSA-N 429.586 4.094 10 40 IICB Cc1cccc(OCCCn2cccc2/C=C2/C(=O)N=C(O)N(c3ccc(F)cc3)C2=O)c1 13685909 CFLLXQSZSXGKGU-JWGURIENSA-N 447.466 4.276 10 40 IICB COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(O)c(OC)c1 408895666 VJURRMKAUAUEJD-YBEGLDIGSA-N 444.281 4.041 10 40 IICB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1cccc(OCc2cccc(F)c2)c1 408937000 LYAXFZMQTQIUMC-CPNJWEJPSA-N 434.398 4.210 10 40 IICB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc1OC 8819366 FIZZMDVCXNZYRR-ODLFYWEKSA-N 442.562 4.161 10 40 IICB CC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)o2)cc1 9262473 UREMIIIOMCEJKU-ATVHPVEESA-N 434.448 4.120 10 40 IICB CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccccc4C)C3=O)c2C)cc1 14132955 NEDHXGNFDYHISH-PXLXIMEGSA-N 443.503 4.468 10 40 IICB Cc1cccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)c1 17135495 UQIOKDNLAIATCS-VWLOTQADSA-N 435.593 4.143 10 40 IICB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1cccc(Br)c1 19644228 PUVQWXNYELPHKF-UNOMPAQXSA-N 446.276 4.240 10 40 IICB O=C1/C(=C/N2CCN(C/C=C/c3ccccc3)CC2)SC(=S)N1CCc1ccccc1 30819330 DDCSDFUIZUSMAW-STZIKMNUSA-N 449.645 4.262 10 40 IICB CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(C)C(=O)N(c4ccccc4)C3=O)o2)cc1 59138901 BJAAHMSVNAUBSI-HMMYKYKNSA-N 444.443 4.132 10 40 IICB CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 408816812 ZGIQSABUZGQVGE-OQLLNIDSSA-N 449.688 4.168 10 40 IICB COc1cc2c(cc1C=C1C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C1=O)OCO2 409066295 BMYRSZQZYYNFHW-UHFFFAOYSA-N 442.427 4.007 10 40 IICB COc1ccc(N2C(=O)/C(=C/c3cn(C(C)C)c4ccccc34)C(=O)NC2=S)c(OC)c1 409094224 CFOOYJWDDNGMOY-WOJGMQOQSA-N 449.532 4.071 10 40 IICB Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)NC2=S)c1C 409137930 ZUHBHRHXMIMXJK-ATVHPVEESA-N 447.472 4.303 10 40 IICB CCCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C(=O)N(C)C1=O 575443085 ZVOYWVZQZCHJRF-PDGQHHTCSA-N 442.899 4.142 10 40 IICB COCCN(Cc1c(C)cc2oc(=O)c(C)c(C)c2c1O)C[C@@H]1CCCN2CCCC[C@@H]12 1565519637 FZNBYZGQXNKAJR-UNMCSNQZSA-N 442.600 4.137 10 40 IICB biogenic COc1ccc(OC)c(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1 728515 PTVSJABTGSCVJW-UHFFFAOYSA-N 444.512 4.452 10 40 IICB Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1NS(=O)(=O)c1ccccc1 13675400 ZOHJIHSTNFRZEW-UHFFFAOYSA-N 449.576 4.326 10 40 IICB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3F)C2=O)o1 33627576 KOMRNZQLHBLVOQ-VCHYOVAHSA-N 430.457 4.042 10 40 IICB CCOc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc([N+](=O)[O-])c1O 37369924 MDAVEUHNNXDADN-OQLLNIDSSA-N 447.450 4.013 10 40 IICB COc1ccc(N2CCN(C(=O)c3ccc(OC)c(COCc4ccccc4)c3)CC2)cc1 224355353 RZXRBEPGFXUAPH-UHFFFAOYSA-N 446.547 4.383 10 40 IICB CSc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1NC(C)=O 260764619 KVASLBQAJBMALE-INIZCTEOSA-N 447.626 4.082 10 40 IICB O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/Nc1cccc(Br)c1 408536514 WQJXLEAIOMCJAX-SFQUDFHCSA-N 436.265 4.181 10 40 IICB COc1ccc(N2C[C@H](C(=O)Nc3ccc(OC)cc3-n3c(C)ccc3C)CC2=O)cc1 408707948 MUKBBOOALHFAFA-GOSISDBHSA-N 433.508 4.103 10 40 IICB O=C(O)CN1C(=O)/C(=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)SC1=S 409243595 TWUDJGOPKSRETK-ZDLGFXPLSA-N 426.494 4.115 10 40 IICB CCOc1cc(/C=C2\C(=O)N(c3cccc(SC)c3)C(C)=C2C(=O)OC)ccc1O 409367353 UMHVULDUVVEMKZ-WQRHYEAKSA-N 425.506 4.390 10 40 IICB CN1CCCc2cc([C@H](CNC(=O)c3cc4ccccc4oc3=O)N3CCCCC3)ccc21 9137701 FTLAQEARRVZMGR-DEOSSOPVSA-N 445.563 4.132 10 40 IICB COc1cc(/C=C2/C(=O)N(c3ccccc3C)C(=O)N=C2O)cc(Br)c1OC 59861142 HXWNSYGHGLLJQG-MDWZMJQESA-N 445.269 4.281 10 40 IICB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1Cl 223616823 ILOJPUKLDVVXIQ-VXKWHMMOSA-N 441.000 4.497 10 40 IICB Cc1cccc(COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4F)C3=O)cc2)c1 408868789 BIXFDOKBKIRATO-ZHZULCJRSA-N 430.435 4.380 10 40 IICB CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC 408903137 UWVWYJQRWGOKTH-LICLKQGHSA-N 428.872 4.097 10 40 IICB Cc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 409016092 SGPBWSZPDSMFOL-OEAKJJBVSA-N 432.499 4.392 10 40 IICB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 409216909 MFVWIFCFMMXSGZ-YXHQGMJNSA-N 429.450 4.023 10 40 IICB O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/C=C/c1ccccc1[N+](=O)[O-] 409238023 JXQRSPABZWROIN-AYRRQIOMSA-N 447.394 4.001 10 40 IICB CC(C)(C)NC(=O)CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 8820045 AZYJXKKRGNYKJN-ATVHPVEESA-N 434.583 4.092 10 40 IICB O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc([N+](=O)[O-])cc1 12032426 UMCJCWDCMOSYKD-LFIBNONCSA-N 447.925 4.478 10 40 IICB O=C(C(=O)c1ccc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1)c1ccccc1 22065582 TUKMJZRJDWDVNZ-UHFFFAOYSA-N 439.515 4.232 10 40 IICB in-vitro COc1cc(Br)c(/C=C2/SC(NC3CCCCC3)=NC2=O)cc1OC 97990780 BBXHCUQKGFHKGL-CXUHLZMHSA-N 425.348 4.359 10 40 IICB CCOC(=O)c1cc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1Cl 225839216 OHENWKHDTRRWNC-HNNXBMFYSA-N 447.988 4.401 10 40 IICB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C1=O 981160 LCFYVNGMIUSPIA-FPXKJXHESA-N 441.553 4.148 10 40 IICB COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccccc1Br 14414323 IIBTYXZFGCBDQE-JXAWBTAJSA-N 426.310 4.364 10 40 IICB COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cccc(Br)c1 59435782 DRQRPUBBWZUCLZ-UNOMPAQXSA-N 442.309 4.331 10 40 IICB Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1NS(C)(=O)=O 260455420 OVFRATNFRMPIQV-WMZOPIPTSA-N 429.586 4.094 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OC 408782575 IRAZJHIQKANJPN-RIYZIHGNSA-N 435.263 4.067 10 40 IICB CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)C1=O 409221478 QUUBMCZQDMPWJV-HKWRFOASSA-N 429.476 4.159 10 40 IICB Cc1cc(CCNC(=O)C2CCN(C(=O)c3cccs3)CC2)c(C)n1-c1ccccc1 11085504 LRGKFPIIGHJCNR-UHFFFAOYSA-N 435.593 4.367 10 40 IICB O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1C(=O)c1cccc([N+](=O)[O-])c1 33907949 NZQHZFZUEIIWMO-RIYZIHGNSA-N 449.307 4.399 10 40 IICB COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C(=O)O)c3)C2=O)cc(OC)c1OC 35648481 LMHHWVXICAVRNZ-RQZCQDPDSA-N 445.518 4.125 10 40 IICB N=C1/C(=C/c2ccc([N+](=O)[O-])o2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN12 41076323 ZFMCLGHQFBCEPS-BWQWBDRKSA-N 425.470 4.023 10 40 IICB COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c1OC(C)C 409105949 KFDFVLBRNJCDLL-RVDMUPIBSA-N 444.940 4.276 10 40 IICB CCN1C(=O)/C(=C/C=C2/Sc3ccc(OC)c(NC(C)=O)c3N2CC)SC1=S 2074851 NSQGJURHILHUKX-RRFADNKVSA-N 435.596 4.191 10 40 IICB COc1ccc(N2CCN(c3nc(C)c4c(n3)C[C@H](c3ccccc3)CC4=O)CC2)cc1 10156602 INDHRZZGOXOPLN-FQEVSTJZSA-N 428.536 4.033 10 40 IICB O=C(NN1C(=O)/C(=C\c2cccc(F)c2)SC1=S)c1ccccc1Br 12032496 XZFWNQDHYHKFMF-NTEUORMPSA-N 437.315 4.134 10 40 IICB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC)c(OC)c3)C(C(=O)OC)=C2C)cc1 14414554 LMANDEHJTYWAEQ-ZHZULCJRSA-N 437.492 4.370 10 40 IICB Cc1ccccc1OCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 17136050 IZWMJCNNOZTCDP-SANMLTNESA-N 443.591 4.356 10 40 IICB CCCCC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc2c1CC[C@@H](C(C)(C)C)C2 40476949 JMKUTAVSNLTLJD-GFCCVEGCSA-N 447.626 4.099 10 40 IICB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4C)o3)C(=O)NC2=S)cc1 408962526 YWSVJUVTVCGRAP-XDHOZWIPSA-N 446.484 4.093 10 40 IICB COc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 409039987 DYVKOHZUCXYWRY-AWNIVKPZSA-N 425.655 4.322 10 40 IICB CC[C@@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cccc1OC 409245928 AYZLPRVSYRRFGF-MLJWKTOOSA-N 444.940 4.357 10 40 IICB COc1cccc(OCCCOc2c(/C=C3\SC(=S)N(C)C3=O)cccc2OC)c1 2878502 PPWBAAXCUOHCAJ-UYRXBGFRSA-N 445.562 4.383 10 40 IICB COc1ccc(N2CCN(c3ncc4c(n3)C[C@@H](c3ccc(C)cc3)CC4=O)CC2)cc1 10156606 MJAREKVBSRUOAI-HXUWFJFHSA-N 428.536 4.033 10 40 IICB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C(=O)O)ccc3C)o2)C1=O 409210290 JVJQTXBWGXHDKH-CCOVPTLTSA-N 443.477 4.331 10 40 IICB CN1CCCc2cc([C@@H](CNC(=O)c3cc4ccccc4oc3=O)N3CCCCC3)ccc21 9137697 FTLAQEARRVZMGR-XMMPIXPASA-N 445.563 4.132 10 40 IICB CCOc1ccc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccccc32)cc1 49003804 KQDJCQZZQVJVAT-UHFFFAOYSA-N 426.538 4.111 10 40 IICB COc1ccccc1N1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C(=O)N=C1O 2265516 QZEZLPRTRNUMPL-ZHZULCJRSA-N 429.476 4.282 10 40 IICB Cn1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c2ccccc21 2426322 ZEDQTTUFTKCJJC-YVLHZVERSA-N 427.938 4.378 10 40 IICB COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)cc1 16216949 ODEHBDZZRAQFJU-PDGQHHTCSA-N 432.388 4.160 10 40 IICB O=C1/C(=C/c2ccc(N3CCCC3)o2)C(O)=NC(=S)N1c1cccc(Br)c1 59138547 APQSVHGANWSSPB-RVDMUPIBSA-N 446.326 4.314 10 40 IICB CCOC(=O)c1ccccc1NC(=O)CSc1ncc(-c2ccc(OC)cc2)n1C 9572315 UIPMCQBEORJTDU-UHFFFAOYSA-N 425.510 4.003 10 40 IICB COc1ccc(N2C(=O)CN(c3ccc(C)cc3)C(=O)[C@@H]2c2ccc(N(C)C)cc2)cc1 15413397 BQQJBIVZGXYLGI-VWLOTQADSA-N 429.520 4.191 10 40 IICB Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(CC(=O)O)C3=O)cc2[N+](=O)[O-])cc1 32124728 IBLDFTFJAAFHKJ-CXUHLZMHSA-N 446.531 4.340 10 40 IICB O=C1/C(=C\c2ccccc2F)SC(=S)N1CC(=O)N1CCCC[C@@H]1c1cccnc1 33548485 XPOSSRIPTPYRCF-LSCADSNKSA-N 441.553 4.176 10 40 IICB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1Cc1cccc(F)c1 408877766 YKBSMMWWGQIZKZ-HYARGMPZSA-N 444.462 4.400 10 40 IICB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(C(F)(F)F)cc1 408902309 HHFPVQHVNQWLAW-NTEUORMPSA-N 439.187 4.134 10 40 IICB CCn1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc21 15013075 MGPKIZIOCYHJDC-BOPFTXTBSA-N 438.281 4.090 10 40 IICB COC(=O)c1ccc(N2N=C(C)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)cc1 27534275 APGHUSHARVDNKF-MOSHPQCFSA-N 430.416 4.238 10 40 IICB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 224612050 LTDNPEVTXXEEMB-ULJHMMPZSA-N 429.520 4.276 10 40 IICB Cc1ccc(CNC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCCC4)cc3C)C2=O)cc1 409207959 DIXGSUZLZDVDQP-HMAPJEAMSA-N 449.576 4.256 10 40 IICB O=C1S/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1 409214239 RSBBMYWNKUITSG-WOJGMQOQSA-N 445.884 4.326 10 40 IICB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/C(=N)N3C(C)=CSC3=NC2=O)c1C 4410495 NKHWFBNVGMHCNT-HYEKDMSNSA-N 437.481 4.178 10 40 IICB Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 9338875 ZQLIMPYVOVQGPV-UHFFFAOYSA-N 445.519 4.314 10 40 IICB O=C(CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1 27530500 BSHZYJGYBGYUJJ-LDADJPATSA-N 426.519 4.035 10 40 IICB O=C1N=C(O)/C(=C\c2cccn2-c2ccc(Br)cc2)C(=O)N1c1cccnc1 96504871 JLCKJEUBZHJWQO-GZTJUZNOSA-N 437.253 4.142 10 40 IICB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1Cl 223616680 ILOJPUKLDVVXIQ-FGZHOGPDSA-N 441.000 4.497 10 40 IICB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)ccc3OCC)C2=O)cc1 408901774 ZYCMOIXMCNVFBN-AQTBWJFISA-N 428.872 4.194 10 40 IICB CN1C(=O)/C(=C/c2cn(CCOc3ccc4c(c3)OCO4)c3ccccc23)SC1=S 409137276 WKIVFBHUZFYOEO-JMIUGGIZSA-N 438.530 4.280 10 40 IICB COc1ccc(N2CCN([C@H](c3cccs3)c3nnnn3C3CCCCC3)CC2)cc1 1337523 OMGFGENGDMKVQO-JOCHJYFZSA-N 438.601 4.160 10 40 IICB COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(Br)cc1 9845879 WACCQTDADAICJE-WQRHYEAKSA-N 428.282 4.335 10 40 IICB Cc1ccc(OCCOCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)cc1 26593261 JOGTZLCBQVBMQX-HKWRFOASSA-N 429.563 4.300 10 40 IICB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C(=O)O)ccc3C)o2)C1=O 409210292 JVJQTXBWGXHDKH-VQIMKDEXSA-N 443.477 4.331 10 40 IICB COc1ccccc1OCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc21 9569180 VOXYWLLYHAWWEO-XMMPIXPASA-N 445.563 4.060 10 40 IICB COc1cccc(OCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)c1 9569182 IISMJTCUTFAGEW-AREMUKBSSA-N 445.563 4.060 10 40 IICB CCN1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3cc(Cl)ccc3O)=NN12 10214538 HPLYTEAPOQZMLB-LJQANCHMSA-N 427.932 4.410 10 40 IICB CN(C)c1ccc([C@H]2NC[C@H](CSc3nnc(Nc4ccccc4F)s3)O2)cc1 58982946 XQBTUJHSMBRAFY-QAPCUYQASA-N 431.562 4.266 10 40 IICB CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)ccc1N1CCOCC1 222691814 BVMRVIINSYDKQB-SXSPYAJSSA-N 438.597 4.296 10 40 IICB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccccc4)o3)C2=O)c1 408846877 KLTWMFBDXZIDCA-XMHGGMMESA-N 446.459 4.410 10 40 IICB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1C(C)C 408962131 GVQDMSKPEAIPQK-LICLKQGHSA-N 430.302 4.115 10 40 IICB COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 408984180 IEPIRNDQWOXPRL-YBEGLDIGSA-N 443.253 4.235 10 40 IICB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccc(N3CCCC3)cc2)cc1 10112163 WMTWDPOIABAADI-UHFFFAOYSA-N 449.576 4.326 10 40 IICB COc1cc(/C=C2/SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc(OC)c1OC 35040711 HDFRDLUWJWIGSH-WOJGMQOQSA-N 429.519 4.321 10 40 IICB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1ccc2c3c(cccc13)C(=O)N(C)C2=O 103619589 SQDAYCNFTJDVSU-MOSHPQCFSA-N 438.487 4.401 10 40 IICB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)cc1 224083318 IJLSIVIMOKRNBJ-UHFFFAOYSA-N 437.565 4.134 10 40 IICB COC(=O)c1ccccc1-n1c(C)cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c1C 409245061 MWCKWBDUNXGNTB-HYARGMPZSA-N 443.503 4.282 10 40 IICB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)cc(Br)c1O 16688228 FMBBWTNLVMUDTR-MDWZMJQESA-N 431.242 4.060 10 40 IICB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1Cl 223576759 SSLCJOUKSNSFOC-SFTDATJTSA-N 426.973 4.107 10 40 IICB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(O)c(CN5CCCCC5)c4)OCC[C@@]31C2 257245313 IOXZNTUEOZWGFW-IRAZMCGKSA-N 426.601 4.397 10 40 IICB CCN(CC)c1cc2[nH]c(O)nc2cc1N/C=C1\C(=O)N(c2ccc(Cl)cc2)N=C1C 408535627 ZEBQIWYRGIAVQU-VBKFSLOCSA-N 438.919 4.487 10 40 IICB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(OCc2cccc(F)c2)c1 408881019 LSUBLKRAWANTSD-FYJGNVAPSA-N 446.434 4.080 10 40 IICB COc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc(Cl)c1OC(C)C 16134798 QTKAMWCOJRADJA-UHFFFAOYSA-N 432.948 4.245 10 40 IICB CCOC(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(O)c(OCC)c3)C2=O)cc1 27570084 PZNWIEQNQDKLSE-WJDWOHSUSA-N 448.397 4.316 10 40 IICB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(Cc2ccccc2Cl)cc1 408869168 RLZCJBQTTZUIGB-XSFVSMFZSA-N 432.863 4.303 10 40 IICB COCCN1C(=O)[C@@H](Cc2ccc(OCc3ccc(F)cc3)c(Cl)c2)SC1=S 409145328 NSYBPVVTDNPPFZ-GOSISDBHSA-N 439.961 4.476 10 40 IICB Cc1ccc(C)c(S(=O)(=O)Nc2cc(Sc3ncn[nH]3)c(O)c3ccccc23)c1 2685375 JBMGUIKTRXIFRQ-UHFFFAOYSA-N 426.523 4.232 10 40 IICB Cc1cc(C(=O)Cn2ncc3ccccc3c2=O)c(C)n1-c1ccc(Br)cc1 9412353 ADJKSXMTRHSJFZ-UHFFFAOYSA-N 436.309 4.449 10 40 IICB COc1ccc(N2CCN(C(=O)c3csc4nc(-c5ccc(C)cc5)cn34)CC2)cc1 11902443 BFCAHULXRWFOET-UHFFFAOYSA-N 432.549 4.342 10 40 IICB CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)ccc2OCc2cccc(F)c2)S1 32111821 RBSQBOICCBDZBV-RQZCQDPDSA-N 449.301 4.274 10 40 IICB CCc1cccc2c(/C=C3\SC(=S)N(CC)C3=O)cn(CC(=O)N(CC)CC)c12 409136404 YVCWTRWYUFFRTK-PDGQHHTCSA-N 429.611 4.293 10 40 IICB COc1ccc(CN2C(=O)/C(=C/c3ccc(OCC(=O)O)c(Cl)c3)SC2=S)cc1 16216660 MLIOTTCODCWAGJ-MFOYZWKCSA-N 449.937 4.213 10 40 IICB Cc1cc(C(F)(F)F)nn1CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1O 17095751 AYJIVUABGFDHFX-GOSISDBHSA-N 428.414 4.294 10 40 IICB CN(C)c1ccc([C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)N2CCOCC2)cc1 22664847 HTDXFNDEPHFQOJ-AREMUKBSSA-N 429.564 4.223 10 40 IICB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2)c1C 223720896 JPTAZNQOGQBOSS-DNQXCXABSA-N 448.592 4.415 10 40 IICB CCN(CC)c1ccc(CNC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 225789818 DJIAYZQETRXYIF-UHFFFAOYSA-N 445.629 4.012 10 40 IICB CCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 408538293 KKXVPHIBCHYBIN-HKWRFOASSA-N 437.452 4.220 10 40 IICB Cc1ccccc1NC(=O)Cc1csc2[n+]1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)S2 1636058 PWVWKSOOKWSEDN-ZDLGFXPLSA-O 438.510 4.220 10 40 IICB O=C1NC(=S)N=C(O)/C1=C/c1ccc(Sc2cccc3cccnc23)c([N+](=O)[O-])c1 3073040 BWDHGGKSGYFGSI-UHFFFAOYSA-N 436.474 4.049 10 40 IICB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 9140434 RWKCDFSFHRZMCB-ZIAGYGMSSA-N 439.895 4.062 10 40 IICB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=O)c1 9234258 IOUQYPYBMGKZJJ-WOJGMQOQSA-N 427.551 4.150 10 40 IICB CC(C)c1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCCC[C@@H]3CCO)C2=O)cc1 13573848 QEUNXIXALCYEBK-GCFJHJGGSA-N 446.638 4.165 10 40 IICB Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\CCn2c1nc1cc(C(=O)O)ccc1c2=O 23103964 GVTJKKPVGZVFEN-SDNWHVSQSA-N 432.867 4.187 10 40 IICB COc1cc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)ccc1O[C@H](C)C(=O)O 210936367 NTUNPEYIKWDFLG-VBYYMIJXSA-N 432.885 4.283 10 40 IICB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2)c1C 223650332 HHZSYJSKERJTBV-RPWUZVMVSA-N 448.592 4.333 10 40 IICB CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(OC)c(Cl)c3)c2C)C(C(=O)OC)=C1C 1104154 DHDCBYNHJABLLN-WQRHYEAKSA-N 428.916 4.449 10 40 IICB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3CCOc3cccc(C)c3)C2=O)cc1 9075892 WUWYGDIQZHKYMH-QJOMJCCJSA-N 443.503 4.104 10 40 IICB O=C(CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1Cl 11565480 PLRPMSASYKDRMR-YVLHZVERSA-N 446.937 4.299 10 40 IICB COc1ccc(CCN2C(=O)/C(=C\c3cnc4ccccc4n3)SC2=S)cc1OC 13692313 JJOWZSVSSHIYEV-UDWIEESQSA-N 437.546 4.091 10 40 IICB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cn(Cc2ccccc2)c2ccccc12 2864111 BWCQTMLPZQOPFK-LPYMAVHISA-N 439.446 4.495 10 40 IICB Cc1ccc(N2C(=O)/C(=C/c3cc(F)c(N4CCCC4)cc3C)C(=O)NC2=S)cc1C 107543372 QSUOUJGSOSKYPM-XDHOZWIPSA-N 437.540 4.182 10 40 IICB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OCC 408808961 GXGDWYFFXCGNMC-MHWRWJLKSA-N 428.872 4.112 10 40 IICB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c2C)cc1 409243845 VEAXPYLFSCRXQR-KGENOOAVSA-N 445.544 4.242 10 40 IICB Cc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC1=S 409343046 DGCNCHJFFMXVCW-UYRXBGFRSA-N 441.534 4.146 10 40 IICB CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3C)C(=O)NC2=S)cc1 409369936 HWSPHQZGOXXZAA-CJLVFECKSA-N 433.577 4.379 10 40 IICB N=C1/C(=C/c2ccc(Sc3ccccc3)o2)C(=O)N=C2SC(c3cccnc3)=NN12 2399681 LLFOPMOZVLBQPE-HLLBZCHMSA-N 431.502 4.493 10 40 IICB COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc(Cl)c1OC 9671353 JXTXNOWPEBNFQI-IBGZPJMESA-N 432.948 4.245 10 40 IICB CCOc1cccc2ccc(/C=C3/SC(=S)N([C@H](CCSC)C(=O)O)C3=O)nc12 13693595 HUNRZRPKVKMEOW-DSQDWWTGSA-N 448.591 4.041 10 40 IICB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cccn1-c1ccc(F)cc1 409231900 LRYKMLAOFWGZLZ-FOWTUZBSSA-N 425.872 4.101 10 40 IICB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCCCC3)C2=O)cc1 8819869 HQXCKXLTWJKOEF-MNDPQUGUSA-N 432.611 4.469 10 40 IICB CCN1CCc2c(sc3c2C(O)=N[C@H](c2cc(Br)cc(OC)c2O)N3)C1 8928032 FJLBHLCQHAHPEW-INIZCTEOSA-N 438.347 4.032 10 40 IICB COc1ccc(/C=C2\SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)c(OC)c1 9187972 ZRGZOMHOOLWDJB-NDENLUEZSA-N 443.956 4.150 10 40 IICB CCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OCC)cc2)C1=O 408818907 YSDUZBSDSDNAOL-QGOAFFKASA-N 428.872 4.194 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4C)o3)C2=O)cc1C 408847768 RLXLSVPMHAAUNI-UDWIEESQSA-N 444.443 4.236 10 40 IICB COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccc(F)c4)c3C)C(=O)NC2=S)cc1 660737 VXWCLHAHSSSGDM-MTJSOVHGSA-N 449.507 4.073 10 40 IICB COC(=O)c1ccccc1-c1ccc(/C=C2/C(=O)N(c3ccc(OC)cc3)C(=O)N=C2O)o1 2263244 VURTZWPXHSRRHG-CPNJWEJPSA-N 446.415 4.249 10 40 IICB COc1cccc([C@@]2(C)NC(=O)N(CC(=O)c3cc(C)n(-c4ccc(C)cc4)c3C)C2=O)c1 13095406 LILMEYPYNGRKSS-AREMUKBSSA-N 445.519 4.061 10 40 IICB COc1ccc(/C=C2/SC(=S)N(C(=O)c3ccccc3Br)C2=O)cc1 16215818 HDKJAPLBARAZDU-XNTDXEJSSA-N 434.336 4.499 10 40 IICB Cc1ccc(-c2noc(-c3ccc(OCC(=O)NCc4ccc(N(C)C)cc4)cc3)n2)cc1 32578896 JYRNBPFVWRXMBK-UHFFFAOYSA-N 442.519 4.473 10 40 IICB CC(C)SC1=NSC2=NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)C(=N)N21 32957610 XGABSGFYKLEURL-AJUKGGFZSA-N 440.506 4.363 10 40 IICB Cc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c1C 41084179 MNZJHZKSMOLEKQ-OSZNWEDFSA-N 440.532 4.465 10 40 IICB O=C(Nc1cccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1)c1ccncc1 58210966 GDHZXEYELNZFFB-QFIPXVFZSA-N 446.507 4.253 10 40 IICB CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1OC 1028572 POLLVMZFQDHLQU-GZTJUZNOSA-N 448.953 4.294 10 40 IICB COc1cc(/C=C2/SC(N3CCOCC3)=NC2=O)ccc1OCc1ccc(Cl)cc1 8820721 LMGOPQLHLAFIHO-DEDYPNTBSA-N 444.940 4.230 10 40 IICB COc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)ccc1OCc1ccccc1 13343532 IRRPTVUNLIFVDA-UYRXBGFRSA-N 443.546 4.340 10 40 IICB CC(C)n1[nH]c(=O)c2c(-c3ccc4c(c3)OCCO4)c3oc4c(O)c(O)ccc4c3nc21 85879137 CHOFXPOQYAMUPD-UHFFFAOYSA-N 433.420 4.054 10 40 IICB biogenic Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)N4CCCC4)cc3)SC2=S)cc1 408575517 MDSGGTHHZXUERJ-ZHZULCJRSA-N 438.574 4.402 10 40 IICB CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 408779903 NFOXMXQMLFYCIJ-XNTDXEJSSA-N 449.688 4.168 10 40 IICB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 409359846 NTBADUMYUBDTBI-DEDYPNTBSA-N 439.493 4.360 10 40 IICB COc1ccc(N2CCN([C@H](C)C(=O)N(Cc3ccccc3)Cc3ccccc3)CC2)cc1 12630806 AKDHCFUHLPSKAA-HSZRJFAPSA-N 443.591 4.435 10 40 IICB COc1ccc(/C=C2/SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)c(OC)c1OC 35040680 IMAHJILLKGUTND-GZTJUZNOSA-N 429.519 4.321 10 40 IICB COc1cc(N2CCCCC2)ccc1/C=C1\NC(=O)N(Cc2ccccc2Cl)C1=O 409239619 ZQHJVTMMOYOLTG-MOSHPQCFSA-N 425.916 4.432 10 40 IICB CN1CCCc2cc([C@H](CNC(=O)c3ccc(Br)o3)N3CCCCC3)ccc21 9137748 JPIGETMOTYWLAR-IBGZPJMESA-N 446.389 4.382 10 40 IICB COc1ccc(OCCn2cc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)c3ccccc32)cc1 41078270 YEMARCRLLMFTOX-MALGGUPZSA-N 442.475 4.179 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)cc3)C2=O)cc1 408785376 WTXYJDBPAYOTPH-HYARGMPZSA-N 430.435 4.380 10 40 IICB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OC)c(Cl)c3)C2=O)cc1 409056356 LQRYFJRGAFGIID-RIYZIHGNSA-N 435.263 4.067 10 40 IICB Cc1c(Cl)cccc1N1C(=O)/C(=C/C=C/c2ccc(N(C)C)cc2)C(=O)NC1=S 409098558 PGJYJLWXOBVVDQ-BHAVQNJHSA-N 425.941 4.102 10 40 IICB COc1ccccc1-c1nnc(SCC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)n1N 3347687 HGHQBJGYTXKQFI-UHFFFAOYSA-N 447.564 4.358 10 40 IICB CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)SC1=S 8818963 LQGYHWGWEKPFSS-DWKHYPNZSA-N 437.539 4.493 10 40 IICB COc1ccc(CCC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1 9137453 KPDZAKRATYVKFN-AREMUKBSSA-N 435.612 4.354 10 40 IICB C[C@H](C(=O)N1CCCC[C@H]1c1cccnc1)N1C(=O)/C(=C/c2ccco2)SC1=S 9348334 JOYYRXNCKHUNDT-UIAIXCAPSA-N 427.551 4.018 10 40 IICB biogenic COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)c1OC 9908158 XPVOFAOSVHCNEU-MHWRWJLKSA-N 448.953 4.212 10 40 IICB O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)c1ccc(N2CCCC2=O)cc1 13566441 BIIKWMMVVXGYLV-UHFFFAOYSA-N 446.488 4.493 10 40 IICB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)c1C 13811068 NKHWFBNVGMHCNT-FYVIMBDTSA-N 437.481 4.178 10 40 IICB Cc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc2n1Cc1ccccc1C#N 33492478 BADOFFRJGHZYLY-IWIPYMOSSA-N 432.483 4.331 10 40 IICB COc1cccc(-c2nc3c(s2)CN(Cc2ccc(N4CCOCC4)c(F)c2)CC3)c1 72392029 UBPSSTKBNPITKH-UHFFFAOYSA-N 439.556 4.353 10 40 IICB Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)NC2=S)c1 409018544 XELRXBQXPNSIGM-UNOMPAQXSA-N 446.484 4.093 10 40 IICB COCCN(Cc1c(C)cc2oc(=O)c(C)c(C)c2c1O)C[C@H]1CCCN2CCCC[C@@H]12 1565519636 FZNBYZGQXNKAJR-IRLDBZIGSA-N 442.600 4.137 10 40 IICB biogenic COc1ccc(CCN2C(=O)/C(=C\c3ccc(OC)c(OC)c3OC)SC2=S)cc1 35040668 XCKKXACWIHUQEM-QGOAFFKASA-N 445.562 4.165 10 40 IICB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OC(=O)c1ccccc1Cl 41078429 WNWZJVHVSOMMKL-WAPYETIASA-N 437.839 4.018 10 40 IICB CC[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 225847148 KQTSQWPTRVMTJQ-QHCPKHFHSA-N 445.629 4.011 10 40 IICB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)o2)c(C)c1 408782895 LAOQLLAMBQFIAP-DEDYPNTBSA-N 444.443 4.016 10 40 IICB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCCC4)c(F)c3)C2=O)cc1 409068072 SQPKBOMTWQPGMH-MOSHPQCFSA-N 439.512 4.409 10 40 IICB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1OC 409102805 UFMORDJTWKWIKB-FMIVXFBMSA-N 435.263 4.067 10 40 IICB Cn1c(/C=C2/SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc2ccccc21 8821933 CNYHALKHFBNJDX-GZTJUZNOSA-N 427.938 4.378 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3CCOc3ccccc3)C2=O)cc1Cl 9122378 WSTKILZJXWILGY-ZHZULCJRSA-N 449.894 4.195 10 40 IICB Cc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1cccc(F)c1 9309036 IBFSWFBZCCZHBA-VHQQXNKGSA-N 444.495 4.296 10 40 IICB CC(C)(C)OC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 13119446 REZMHTGZGSOWNA-YBEGLDIGSA-N 429.450 4.023 10 40 IICB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C\c2ccc([N+](=O)[O-])cc2)cc1 13645616 QOOTZLYGDYDHFK-STZFKDTASA-N 444.403 4.346 10 40 IICB COC(=O)c1cc(Cl)c(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1OC 48324014 OTEYOHHOEHEOLQ-HNNXBMFYSA-N 448.903 4.054 10 40 IICB CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 100799200 XNHDMZWCNVWVKI-ZLNRFVROSA-N 447.922 4.457 10 40 IICB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)Nc2cccnc2)cc1 103921454 YNPVIYRJBFWYJV-QNGOZBTKSA-N 429.436 4.135 10 40 IICB COC(=O)[C@H](Sc1ccc(Cl)cc1)[C@@H]1SC(=S)N(Cc2ccccc2)C1=O 1567377 SCFYJGSMZBGPRO-JKSUJKDBSA-N 437.995 4.403 10 40 IICB Cc1cccc(OCCCOc2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2)c1 26608094 QWAXIBAWCORMOX-HKOYGPOVSA-N 428.488 4.304 10 40 IICB Cc1cc(N2C(=O)NC(=O)/C(=C\c3c(C)[nH]c4ccccc34)C2=O)ccc1Br 408763600 IZNMLMLGXDEJLH-MHWRWJLKSA-N 438.281 4.214 10 40 IICB COCCN1C(=O)[C@H](Cc2ccc(OCc3ccc(F)cc3)c(Cl)c2)SC1=S 409145330 NSYBPVVTDNPPFZ-SFHVURJKSA-N 439.961 4.476 10 40 IICB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccccc3C)c2C)C1=O 409222458 XGCPESOSKZNOGF-HMMYKYKNSA-N 443.503 4.468 10 40 IICB COc1ccc(CCN2C(=O)/C(=C/c3ccc4c(c3)C[C@H](C)O4)SC2=S)cc1OC 2325423 ONHGQNYKHDSLIU-DTHVTWRFSA-N 441.574 4.471 10 40 IICB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCS(=O)(=O)c1ccc(Cl)cc1 12554478 ZJXQGSKAJVTYDD-UHFFFAOYSA-N 434.989 4.153 10 40 IICB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)N=C2O)cc1C 17058200 RIJNKDOQMXZDEB-LDADJPATSA-N 431.404 4.342 10 40 IICB CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCC)cc3)c2C)C1=O 205778022 GXTMYQIJJCCDBI-XDHOZWIPSA-N 428.510 4.092 10 40 IICB O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 216423049 LXEHGMPDZQDHIB-UHFFFAOYSA-N 430.869 4.421 10 40 IICB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 408582165 BTGFMGAFPGBQPF-YBEGLDIGSA-N 443.799 4.034 10 40 IICB CCCCCN1C(=O)[C@H](C(=O)OCC)[C@@H](c2ccc(N(C)C)cc2)n2c1nc1ccccc12 20675725 NTOZGQXVYHFZHR-DHIUTWEWSA-N 448.567 4.408 10 40 IICB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)cc3)C2=O)cc1 408897129 VYHFTBBOIZWRCV-HYARGMPZSA-N 446.434 4.080 10 40 IICB COc1ccc(CC2=NN3C(=N)/C(=C/c4c[nH]c5ccccc45)C(=O)N=C3S2)cc1OC 9165476 XITAQKVOGXOSPD-FQGCVJAESA-N 445.504 4.047 10 40 IICB N=C1/C(=C/c2ccc(O)c(Br)c2)C(=O)N=C2SC=C(c3ccccc3)N12 20025214 KMBXPKAPHWMXQS-DBXDWNGZSA-N 426.295 4.459 10 40 IICB CN1C(=O)C(=Cc2cn(Cc3cccc4ccccc34)c3ccccc23)C(=O)N(C)C1=S 59139736 VSHAQMCJUJZDIK-UHFFFAOYSA-N 439.540 4.442 10 40 IICB CN1CCN(c2ccc(CNC(=O)CSCc3ccc(Cl)c(Cl)c3)cc2)CC1 222734688 HCMYCQPSFKOKFP-UHFFFAOYSA-N 438.424 4.295 10 40 IICB CC(C)c1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1 16838388 GIMOYGNTFCDNAL-RUZDIDTESA-N 448.611 4.084 10 40 IICB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OC(C)C 33825027 LRSLMYKAFNQGQF-YBEGLDIGSA-N 445.313 4.096 10 40 IICB CCc1cccc2c(/C=C3\SC(=S)N(C)C3=O)cn(CC(=O)NC3CCCCC3)c12 409133961 VDANWPNAKAIPHB-UNOMPAQXSA-N 441.622 4.484 10 40 IICB COc1ccc2c3c(n(Cc4nc5ccccc5[nH]4)c(=O)c2c1OC)-c1ccccc1C3=O 604404210 LKIIZTSBRIZGKT-UHFFFAOYSA-N 437.455 4.155 10 40 IICB biogenic Cc1oc2c(CN[C@H](Cc3ccccc3)C(=O)O)c(O)ccc2c(=O)c1Oc1ccccc1 2105755 YNFWNDBWALDABO-OAQYLSRUSA-N 445.471 4.385 10 40 IICB biogenic COc1ccc(CCN2C(=O)/C(=C\c3ccc4c(c3)C[C@@H](C)O4)SC2=S)cc1OC 2325425 ONHGQNYKHDSLIU-CNRHGSOZSA-N 441.574 4.471 10 40 IICB CCC(/C=C1\Sc2ccc(OC)cc2N1CC)=C1\SC(=S)N(CC(=O)O)C1=O 4048107 ZIJWUKZCGLJFHC-SYPDMRTPSA-N 436.580 4.078 10 40 IICB CCN(CC(=O)N[C@H](C)c1ccc(F)cc1)Cc1ccc(N2CCC(OC)CC2)cc1 58440541 VGKOQFZMLMBBTR-LJQANCHMSA-N 427.564 4.140 10 40 IICB CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102196365 PQYFAIATJQQAJU-XPWALMASSA-N 447.922 4.457 10 40 IICB CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl 225839253 ZLSLPVFBMXRIQL-HNNXBMFYSA-N 447.988 4.401 10 40 IICB CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/N(CC)c2ccccc2)SC1=S 256055911 YWPYMVSFPFPELD-WDULPBOOSA-N 440.590 4.389 10 40 IICB O=C1NC(=S)NC(=O)C1=Cc1cn(CCSc2ccc(Cl)cc2)c2ccccc12 408780559 DQKMFBQQBCOVAN-UHFFFAOYSA-N 441.965 4.001 10 40 IICB Cc1ccnc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)c2C)c1 409235702 DAKCYIATKGDPCC-LDADJPATSA-N 448.910 4.426 10 40 IICB O=C1C[C@@H](N2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)C(=O)N1c1ccc(Cl)cc1 1804907 JTXFAFAIAQZWRA-AVIKPIRVSA-N 446.912 4.012 10 40 IICB Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(Br)c(N(C)C)o3)C(O)=NC2=S)c1 59104369 SJPVXWVBKLDWLK-RIYZIHGNSA-N 448.342 4.397 10 40 IICB CCOc1cc(C[C@H]2SC(=S)N(CCOC)C2=O)ccc1OCc1ccccc1F 409147010 VVYYFBOMQWIKDO-HXUWFJFHSA-N 449.569 4.221 10 40 IICB CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)N2CCCCC2)cc1 4301893 QMTLNFNTCKJVJE-DMDYGQEQSA-N 427.633 4.213 10 40 IICB Cc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1ccccc1F 9159546 UFMVVKSPJMITBV-BVDVPRQSSA-N 444.495 4.296 10 40 IICB Cc1cc(C(=O)COC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c(C)n1-c1ccccc1F 102255468 QBXGWNZALSYHKI-LYBIEXDWSA-N 425.500 4.290 10 40 IICB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2)c1C 223687131 OCINIGGKFGVGMO-BJKOFHAPSA-N 448.592 4.333 10 40 IICB CCN(CC)c1ccc(CN(C(=O)c2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 8385345 SNSOHDOIANXFMY-IBGZPJMESA-N 434.989 4.016 10 40 IICB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1 408819868 YLABNGFUBXLXLZ-HZHRSRAPSA-N 442.471 4.249 10 40 IICB CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)SC1=S 409005593 GDAMPQDZPNGFBU-WQRHYEAKSA-N 429.519 4.194 10 40 IICB Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)NC2=S)c(C)c1 409131167 NLIJFJKEUNMBHX-ATVHPVEESA-N 447.472 4.303 10 40 IICB COc1ccc(OC)c(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)c1 409143397 DZBUSHQLCBCIGN-LICLKQGHSA-N 448.953 4.212 10 40 IICB O=C(CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(F)cc1 8820688 LFIBVJVUFJRAJB-WOJGMQOQSA-N 444.509 4.175 10 40 IICB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OC(C)C 408870174 VJGVSKPSTLWCOH-ZROIWOOFSA-N 446.862 4.331 10 40 IICB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1ccccc1Cc1ccccc1 9697911 GBTJYNJWABWBFS-UHFFFAOYSA-N 430.548 4.151 10 40 IICB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 14406718 JBMJLNPKWCBNMN-BOPFTXTBSA-N 443.883 4.243 10 40 IICB Cc1cc(C)n2nc(C(=O)OCC(=O)c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)nc2n1 23523808 LIMJMBRFSZFGMO-UHFFFAOYSA-N 445.523 4.312 10 40 IICB C=CCOc1c(Br)cc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33745137 GYMJKGOATSQABZ-GDNBJRDFSA-N 433.689 4.129 10 40 IICB CN1c2ccccc2C(=O)N(Cc2ccco2)[C@@H]1c1cc(O)cc(Br)c1O 70020135 PLUAULKHCSKRLY-LJQANCHMSA-N 429.270 4.244 10 40 IICB CCOC(=O)COc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)ccc1OC 409199428 CPIHOIAWQSIQNS-WOJGMQOQSA-N 447.509 4.182 10 40 IICB CSc1cccc(N2C(=O)/C(=C\c3ccc4c(c3)n(C)c(=O)n4C)SC2=S)c1 409335159 ZAZAPKOGVLQFQI-LICLKQGHSA-N 427.576 4.005 10 40 IICB O=C1Nc2ccc(Br)cc2/C1=C1/SC(=S)N(c2ccc(F)cc2)C1=O 2284686 QMGSECOVWREYHQ-YPKPFQOOSA-N 435.299 4.316 10 40 IICB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OC(C)C 14133164 DKDVHZKUTJGCCW-OQLLNIDSSA-N 428.872 4.111 10 40 IICB Cc1cc(C)c(N2C(=O)N=C(O)/C(=C\NN3CCCC[C@H]3c3cccnc3)C2=O)c(C)c1 8971944 PYXQLMXUCZHQES-SSUIOBEFSA-N 433.512 4.046 10 40 IICB COc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(SC)SC4=NC3=O)c2C)c1 9309692 GNZSBPKENQRYMA-BGQXKEBWSA-N 425.539 4.042 10 40 IICB Cc1ccc(C)c(OCCOc2cccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)c2)c1 9679355 UHYMHJQQALIRLR-HAVVHWLPSA-N 428.488 4.223 10 40 IICB CCC(=O)N1[C@H](c2ccc(N(CC)CC)cc2)N(S(=O)(=O)c2ccc(C)cc2)C[C@H]1C 12867491 WOCGICRUBPNGLD-NTKDMRAZSA-N 443.613 4.171 10 40 IICB COc1cc(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1[N+](=O)[O-] 260592151 PSDALHOBNNXFIM-IRXDYDNUSA-N 427.501 4.096 10 40 IICB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)o1 408959919 ALNXTQPGQYYDJH-LDADJPATSA-N 446.484 4.093 10 40 IICB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(OCC)cc3)C(C(=O)OC)=C2C)cc1 409021957 AXHGDQQYMJSWAI-QNGOZBTKSA-N 435.476 4.139 10 40 IICB CC(C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 409229860 AQCPRDJNCXFBOV-LICLKQGHSA-N 434.439 4.324 10 40 IICB CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc(Cl)c1O 409343304 GIJRUSVRHWXZOL-JYRVWZFOSA-N 440.955 4.052 10 40 IICB O=C1/C(=C/c2ccccc2F)SC(=S)N1CC(=O)N1CCCC[C@H]1c1cccnc1 8995687 XPOSSRIPTPYRCF-IZILLXMLSA-N 441.553 4.176 10 40 IICB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cc(OC)c(Cl)cc1OC 19639339 ZDCGOCYIGRQOEL-BKUYFWCQSA-N 443.887 4.009 10 40 IICB COc1ccc(N2C(=O)/C(=C\c3ccc(SCCO)c([N+](=O)[O-])c3)SC2=S)cc1 32124808 XBXDJZFGYNVLLP-GZTJUZNOSA-N 448.547 4.094 10 40 IICB Cc1nc(S[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)nc(C)c1C 9544292 MYOXCNCRBGVGKE-HNNXBMFYSA-N 431.517 4.297 10 40 IICB COc1ccc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 110422766 UPXXQGLAYLSNBC-GIJQJNRQSA-N 428.579 4.144 10 40 IICB CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 225839076 CTEQCDKGADGYGX-QGZVFWFLSA-N 427.570 4.056 10 40 IICB Cc1cc2oc(=O)cc(-c3ccccc3)c2c(O)c1CN[C@H](Cc1ccccc1)C(=O)O 11866775 LYUMDHXUSNYPJK-OAQYLSRUSA-N 429.472 4.260 10 40 IICB Cc1cc2nc3s/c(=C/c4cc(C)n(-c5ccc([N+](=O)[O-])cc5)c4C)c(=O)n3c2cc1C 408739250 AJAUPFZPRXKMEE-WSDLNYQXSA-N 444.516 4.389 10 40 IICB Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1 408913833 OAMQFSYTOPAFGK-FYJGNVAPSA-N 430.435 4.380 10 40 IICB Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)c(C)n1-c1ccc(Br)cc1 3290533 RVLQNDYPSSXFNG-UHFFFAOYSA-N 447.241 4.398 10 40 IICB O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1cccc(C(=O)O)c1 1186609 JZFIUVXJNCAABO-YBEGLDIGSA-N 446.937 4.268 10 40 IICB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3O)C2=O)c1 8819158 JDXTWRUONYLZEP-AQTBWJFISA-N 428.535 4.021 10 40 IICB COc1ccc(-n2c(C)cc(/C=C3\C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)cc1 59138751 ACBKTMJHLFFZLM-PXLXIMEGSA-N 429.476 4.111 10 40 IICB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccn1 223526437 WLCYIHROZKCFJM-RPWUZVMVSA-N 440.576 4.452 10 40 IICB COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(N(C)C)cc1 9845882 IEWSDWCUNVHXPE-UNOMPAQXSA-N 441.325 4.392 10 40 IICB CCOc1cc(/C=C2\SC(=S)N([C@@H](CC(=O)O)c3ccccc3)C2=O)ccc1O 11565457 FUYUHFVXJGBQGB-GZQZNAIASA-N 429.519 4.208 10 40 IICB CCN1C(=O)/C(=C\c2ccc3c(c2)CCN3Cc2ccccc2Cl)C(O)=NC1=S 33330081 UXUOQJMUOQWQAA-ATVHPVEESA-N 425.941 4.390 10 40 IICB COc1ccc(N2CCN(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)CC2)cc1 57548509 DLBATNRWBDPVHY-UHFFFAOYSA-N 428.747 4.416 10 40 IICB Cc1ccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 408537463 VPQVEGNFKMVANG-QNGOZBTKSA-N 440.455 4.189 10 40 IICB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)nc1 408961828 OHULIFNKJUPHOE-YBFXNURJSA-N 434.883 4.117 10 40 IICB COC(=O)Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21 409127894 QXKIASPKYUAVJF-MOSHPQCFSA-N 436.558 4.258 10 40 IICB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2 110422836 VPXBISXHJALXHZ-CAOOACKPSA-N 443.550 4.044 10 40 IICB Cc1c(NS(C)(=O)=O)cccc1C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 218579446 OAIXIIBBWNODLC-SFHVURJKSA-N 429.586 4.094 10 40 IICB COCCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3)c2C)C(=O)N(c2ccccc2)C1=O 409016909 UFDAVJJAXMZNCT-HAVVHWLPSA-N 443.503 4.119 10 40 IICB CCN1C(=O)/C(=C\c2ccc(Br)o2)C(=O)N(c2ccc(Cl)cc2)C1=S 409019717 KHKBDUARIQRAID-UKTHLTGXSA-N 439.718 4.259 10 40 IICB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(C4CCCCC4)c3C)C(=O)NC2=S)cc1 8395981 HINZGEOOKYVPGI-KGENOOAVSA-N 437.565 4.450 10 40 IICB CCOc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCCCC4)cc3)C(=O)NC2=S)cc1 9232786 RLPCPIWVDCKLKI-XLNRJJMWSA-N 449.576 4.297 10 40 IICB COc1ccc(N2CCN(C(=O)CC34C[C@@H]5C[C@@H](CC(Br)(C5)C3)C4)CC2)cc1 12660834 TVTXUEOUNIVRJW-WVKNIADZSA-N 447.417 4.468 10 40 IICB O=C(C1=CN(c2cccc(Br)c2)c2ccccc2S1(=O)=O)N1CCCCC1 48988495 OBPKTLDCODDCMZ-UHFFFAOYSA-N 447.354 4.228 10 40 IICB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCC3)c(F)c2)C1=O)Nc1ccccc1 409065086 GAWVEHNXKIAHEA-UYRXBGFRSA-N 425.485 4.101 10 40 IICB CCN1CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C(F)(F)F)oc23)CC1 20461299 FBWBQJANAXNANC-UHFFFAOYSA-N 432.442 4.322 10 40 IICB biogenic CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC 408803047 KRGZBTOODFPXHF-MDWZMJQESA-N 449.290 4.376 10 40 IICB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(OCC)c1 409229567 RDUHDPGSDZIWRM-LFIBNONCSA-N 428.872 4.112 10 40 IICB COc1ccc(N2C(=O)CN(c3ccccc3C)C(=O)[C@H]2c2ccc(N(C)C)cc2)cc1 9130274 BFJWJHUZENUEOJ-RUZDIDTESA-N 429.520 4.191 10 40 IICB CCc1cc(C)cc(OCCOc2cccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2)c1 13800806 TVLJVOKCUGGUFO-BWAHOGKJSA-N 442.515 4.477 10 40 IICB COC(=O)c1ccccc1-c1ccc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)o1 33715950 BSXIYDPZDVFFQL-LDADJPATSA-N 434.379 4.379 10 40 IICB CCc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1 101025073 KRWAHTYTUHKDKY-SDHSZQHLSA-N 441.531 4.366 10 40 IICB CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCCCCC2 102258571 XCVAABAQVYBWMI-ZZCKCESHSA-N 431.554 4.435 10 40 IICB Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCO)c2C)c(C)c1 223582037 QZPZOBKHBQTBKN-LADGPHEKSA-N 434.609 4.379 10 40 IICB O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1 408744031 YGCSJYRAFFLDTJ-WUXMJOGZSA-N 440.080 4.422 10 40 IICB Cc1cc(N2CCOCC2)ccc1/C=C1\NC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O 409070630 DBEHLUMJLRRULF-JAIQZWGSSA-N 446.334 4.231 10 40 IICB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1cccc2ccccc12 409394084 VJPQIICNEWZOCT-PXLXIMEGSA-N 436.471 4.309 10 40 IICB O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cccc(C(=O)O)c1 975284 JTZGYFSJKDLGJM-ATVHPVEESA-N 426.519 4.005 10 40 IICB O=C1/C(=C\c2ccc(I)o2)SC(=S)N1c1cccc(F)c1 9233852 JBPMGHWANSIARB-YRNVUSSQSA-N 431.251 4.429 10 40 IICB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1ccc(F)c(Cl)c1 13149058 ZUBKZZUIXYKOOT-UHFFFAOYSA-N 437.810 4.050 10 40 IICB COc1ccc(N2CCN(c3c(C(=O)N4CCCCC4)cnc4ccc(F)cc34)CC2)cc1 67288159 RSTKWJBEZOGQFD-UHFFFAOYSA-N 448.542 4.335 10 40 IICB O=C1N=C(NC2CCCC2)S/C1=C/c1cn(Cc2ccccc2)nc1-c1cccnc1 97990766 URKRCGOJAXQYCV-FYJGNVAPSA-N 429.549 4.496 10 40 IICB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4C(=O)O)o3)C(=O)NC2=S)c(C)c1 211032689 LNGIFCUMZIQKFN-LDADJPATSA-N 446.484 4.093 10 40 IICB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Cl)c1 408805703 CBYOSUZROYVZPG-XDHOZWIPSA-N 448.862 4.291 10 40 IICB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1Br 408806361 IWPRQFRNFZSADM-LFIBNONCSA-N 443.297 4.213 10 40 IICB COc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 408865154 BIWMXJHMGSRZNX-AWNIVKPZSA-N 425.655 4.322 10 40 IICB Cc1ccc(Cl)c2c1N[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)[C@@H]1CC=C[C@H]21 886925 SUCJNZHZRLXGME-YCRNBWNJSA-N 444.984 4.496 10 40 IICB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c1C 1168390 SDXBQBUJDGVMFG-YBFXNURJSA-N 448.435 4.406 10 40 IICB CCCCOc1ccc(-c2[nH]ncc2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 71011183 LXUDQSPJKFVJOW-UHFFFAOYSA-N 434.540 4.227 10 40 IICB COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)c([N+](=O)[O-])c1 222746258 HQHYHMGGERITLP-LEWJYISDSA-N 437.525 4.008 10 40 IICB COc1ccc(N2CCN(C(=O)CCc3nc(-c4cccc5ccccc45)no3)CC2)cc1 225829654 XFOBZZCFIRSSHA-UHFFFAOYSA-N 442.519 4.180 10 40 IICB C[C@@H](C(=O)N1CCCC[C@@H]1c1cccnc1)N1C(=O)/C(=C/c2cccs2)SC1=S 9253454 MZIJFTQMUGABSG-QPMKFSPVSA-N 443.619 4.487 10 40 IICB biogenic COc1ccc2ccc(O)c(CN3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)c2c1 12681629 ZQZCUKYCPOKHOU-UHFFFAOYSA-N 434.492 4.133 10 40 IICB Cc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1 17050916 KTNXBBSIRWNUCU-AREMUKBSSA-N 449.620 4.139 10 40 IICB O=C(O)c1cc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)ccc1O 34139141 HPBQRBYTAQDKKI-SFQUDFHCSA-N 428.400 4.470 10 40 IICB CC(C)CN(CC(C)C)c1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1[N+](=O)[O-] 59489896 IZBBVQJTODQLRM-UHFFFAOYSA-N 430.501 4.467 10 40 IICB NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cc4c(s3)CCCCCC4)cc2)C1 65518081 XPRMMWIHEZNUAP-LJQANCHMSA-N 425.598 4.039 10 40 IICB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OC(C)C 111507823 MLLQCEBKSAVFOG-RQZCQDPDSA-N 442.899 4.419 10 40 IICB COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 408999325 USTXXXDLRIDDDZ-BOPFTXTBSA-N 443.253 4.235 10 40 IICB CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2ccccc2F)SC1=S 618254502 DHXUBEPMABWFON-XIDKLXSXSA-N 430.526 4.114 10 40 IICB Cc1ccc2c(c1)sc(/C=C1/Sc3ccccc3N1CCCS(=O)(=O)O)[n+]2C 6281961 BNVOIYZNYDXEGF-UHFFFAOYSA-O 433.600 4.223 10 40 IICB COc1cccc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1OC 9137404 LKEFXMKZFVYNLA-HSZRJFAPSA-N 437.584 4.043 10 40 IICB COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(OC)c1OC(C)=O 59418171 LLMSYQWWSQYPQM-WOJGMQOQSA-N 429.519 4.031 10 40 IICB C[C@H]1CN(c2ccc(CNC(=O)/C=C/c3c(Cl)nc4sccn34)cc2F)C[C@@H](C)O1 69421192 KAVYDEKLLYAIHM-DLPZHFSESA-N 448.951 4.132 10 40 IICB Cc1cccnc1Nc1cccc([C@@H]2CCCN(Cc3ccc(N(C)CCO)cc3)C2)n1 72376059 RFXWSLSPTAFBQY-JOCHJYFZSA-N 431.584 4.337 10 40 IICB CCOc1cc(/C=C2/SC(NC3CCCC3)=NC2=O)cc(Br)c1OC 96121203 AVOJCUXNYZRQPU-XNTDXEJSSA-N 425.348 4.359 10 40 IICB COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1 223327641 PJWQKIBCFCJRNW-TUACAJSNSA-N 448.592 4.341 10 40 IICB COc1ccc(C2=C/C(=C\c3cc(Br)c(OC(C)=O)c(OC)c3)C(=O)O2)cc1 408741006 GJECWGDFRAXSNH-OVCLIPMQSA-N 445.265 4.373 10 40 IICB CCOc1cccc2ccc(/C=C3/SC(=S)N([C@@H](CCSC)C(=O)O)C3=O)nc12 13693593 HUNRZRPKVKMEOW-LUYJPIOASA-N 448.591 4.041 10 40 IICB Cc1cccc(COc2ccc(/C=C3/C(=N)N4N=C(N5CCCC5)SC4=NC3=O)cc2)c1 41085031 KBDYBBHKGNERQU-OEMPCWLZSA-N 445.548 4.246 10 40 IICB Cc1cccnc1Nc1cccc([C@H]2CCCN(Cc3ccc(N(C)CCO)cc3)C2)n1 72376060 RFXWSLSPTAFBQY-QFIPXVFZSA-N 431.584 4.337 10 40 IICB CCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc1OC 408875743 HHFNHSAZCLRHLD-WJDWOHSUSA-N 442.899 4.366 10 40 IICB COc1ccc2c3c(n(CCc4nc(C)cs4)c(=O)c2c1OC)-c1ccccc1C3=O 604405216 NIYGHGMOAFDRQQ-UHFFFAOYSA-N 432.501 4.238 10 40 IICB biogenic COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@H](c4nnc5ccccn45)C3)c2C)cc1 12324618 LMUCHQDXRIBGSG-IBGZPJMESA-N 429.524 4.165 10 40 IICB COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)O 16312084 MKVMUPCDDYTMOM-ZDLGFXPLSA-N 429.519 4.181 10 40 IICB CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 218441945 SLTBYRIFDQCXEP-LJQANCHMSA-N 443.613 4.200 10 40 IICB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1Cl 409180203 PYGSDDHRRLHYRD-VCHYOVAHSA-N 429.929 4.389 10 40 IICB O=C1/C(=C\c2ccccc2)SC(=S)N1CCC(=O)N1CCCC[C@@H]1c1cccnc1 8740446 HOLVBYSBRGUJTL-NGYXKBBWSA-N 437.590 4.427 10 40 IICB biogenic CN(C)c1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)c2ccco2)cc1 13025179 LAXFOUIFRXSQPF-HSZRJFAPSA-N 435.524 4.381 10 40 IICB Cc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1Cc1ccccc1 41076765 MZZYHZSXZOWOGU-FZAWDKCWSA-N 429.505 4.414 10 40 IICB O=C(CCC1CCCCC1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 96021651 RQBSFVJUHLOGDI-UYRXBGFRSA-N 446.594 4.093 10 40 IICB CCN(CC)c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 224204603 PADSBYGUVCMHRI-UHFFFAOYSA-N 437.565 4.264 10 40 IICB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(N3CCCCC3)o2)C(=O)NC1=S 409067369 CRBICXJJCXNEDV-NTCAYCPXSA-N 429.929 4.063 10 40 IICB O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cccc2nonc12 9429891 QTBQKYNWNGMOCZ-BJXWFGTRSA-N 436.518 4.009 10 40 IICB CC(=O)NC1=NC(=O)/C(=C\c2ccc(OCc3ccc(Br)cc3)cc2)S1 32111763 JCVBCEDIEHEPCW-LICLKQGHSA-N 431.311 4.135 10 40 IICB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C 35200355 KFTBYJDQZHCXJK-MQXJPVLKSA-N 434.536 4.254 10 40 IICB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 100208076 YPNITJORWMBNQH-UNOMPAQXSA-N 437.492 4.288 10 40 IICB Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccccc1Br 107828463 FRBDGVCBGCHWIM-AQTBWJFISA-N 436.309 4.318 10 40 IICB Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(Br)c([N+](=O)[O-])c2)SC1=S 409203452 YAZCGYTUHIDSFD-ZSOIEALJSA-N 438.328 4.313 10 40 IICB O=C1N=C(N2CCN(c3cccc(C(F)(F)F)c3)CC2)S/C1=C\c1ccccc1O 2420885 JQZOSHRFWALBRH-PDGQHHTCSA-N 433.455 4.204 10 40 IICB COc1ccc(N2CCN([C@@H](c3ccc(C)cc3)c3nnnn3C3CCCC3)CC2)cc1 13503848 DSAOKNSGEAPMRN-DEOSSOPVSA-N 432.572 4.017 10 40 IICB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccccc3F)cc2)C1=O 14132749 IJYLNDSAKUHPRE-XSFVSMFZSA-N 430.435 4.380 10 40 IICB CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 18102930 XNHDMZWCNVWVKI-VABKMULXSA-N 447.922 4.457 10 40 IICB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2)c1C 223650456 HHZSYJSKERJTBV-DNQXCXABSA-N 448.592 4.333 10 40 IICB CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCC(C)CC3)c3ccccc23)SC1=S 409127219 QJDWXCNTGVGBON-UNOMPAQXSA-N 427.595 4.121 10 40 IICB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccccc1Cl 409404579 DUNBDAKMMHYZPQ-UYRXBGFRSA-N 434.879 4.389 10 40 IICB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Br)c(O)c2ccccc12 8974216 LKMVHTQXCGTFFI-UHFFFAOYSA-N 437.271 4.325 10 40 IICB O=C(O)C/C(=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc2ccccc2s1 32642087 WOSFOHYGCRWXMT-PTNGSMBKSA-N 425.466 4.056 10 40 IICB O=C1/C(=C\c2cc(I)ccc2O)SC(=S)N1c1ccccc1 38198209 TWWGILMUEHFREU-NTEUORMPSA-N 439.299 4.403 10 40 IICB COc1cc(/C=C2/SC(Nc3cccc(C(F)(F)F)c3)=NC2=O)cc([N+](=O)[O-])c1O 105415364 KGRHEKJBVOUDLD-VGOFMYFVSA-N 439.371 4.410 10 40 IICB COc1ccc2c3c(n(C[C@@H]4Cc5ccccc5O4)c(=O)c2c1OC)-c1ccccc1C3=O 604404454 NVWALUSUBKDEGR-INIZCTEOSA-N 439.467 4.234 10 40 IICB biogenic O=C(COC(=O)CNC(=O)c1cccc(F)c1)Nc1ccc(/N=N/c2ccccc2)cc1 9425400 GFMYJOXZGPNASF-BYYHNAKLSA-N 434.427 4.153 10 40 IICB CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)S1 13893963 KODFSBJCSWBVOF-MFOYZWKCSA-N 449.301 4.274 10 40 IICB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(C)c2)c1C 13895115 LXIVKPPZHDKFDR-HAHDFKILSA-N 436.552 4.420 10 40 IICB CC(C)c1ccc(/C=C2\SC(=S)N(CCC(=O)NCc3cccnc3)C2=O)cc1 19927810 PPLSYFMIXZYFOH-UNOMPAQXSA-N 425.579 4.113 10 40 IICB O=C1/C(=C\c2ccc(N3CCCCC3)o2)SC(=S)N1Cc1ccc2c(c1)OCO2 27345129 MVWFJRXUZLUBOW-WOJGMQOQSA-N 428.535 4.400 10 40 IICB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1cccc(C(=O)O)c1 33745109 QVZIDRFUQOGJRD-MOSHPQCFSA-N 448.862 4.079 10 40 IICB Cc1cc(C)c2[nH]c(=O)c(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2c1 41074293 VEXYHNJQLSHCFS-RQUXIJKASA-N 426.501 4.449 10 40 IICB COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2C)cc1 41076287 JBJVPGLZFCAZKS-DTXXBIOTSA-N 447.442 4.284 10 40 IICB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc([N+](=O)[O-])c1OCc1ccccc1 107900484 ILKLZFVFYMLMBR-UNOMPAQXSA-N 449.850 4.289 10 40 IICB O=C(O)CCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 2700518 VTLCJQQFCODNFA-ZSOIEALJSA-N 438.870 4.184 10 40 IICB CCN1C(=O)/C(=C\c2ccc(N(CC)CC)o2)C(=O)N(c2ccc(Cl)cc2)C1=S 8395987 QVTDDTQJDFABOJ-GHRIWEEISA-N 431.945 4.343 10 40 IICB Cc1cc(/C=C2/C(=O)N=C(O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(O)c1 13811706 FMKPCZOSWZUVEA-JAIQZWGSSA-N 435.867 4.324 10 40 IICB C[C@@H](NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1)c1ccc(N2CCCCC2)cc1 225664520 ILXLZLUVLWWNKZ-QGZVFWFLSA-N 446.642 4.120 10 40 IICB CCCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O 408813823 VFLLMRBKXOFZCL-LICLKQGHSA-N 428.872 4.112 10 40 IICB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 408816495 UVZCWTVADOSSJL-XQNSMLJCSA-N 442.471 4.331 10 40 IICB COc1ccc(N(CCC(N)=O)CC(=O)Nc2ccccc2Sc2ccccc2)cc1 9717093 SKHDBKGEIKKNNN-UHFFFAOYSA-N 435.549 4.167 10 40 IICB CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O 408797540 GOWGFCKQLSXZRU-JLHYYAGUSA-N 449.688 4.168 10 40 IICB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c1C 409205079 LBVFQMZUSUFNOG-PDGQHHTCSA-N 425.916 4.460 10 40 IICB CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)C(=O)NC2=S)cc1 409376671 CKRBQYPDBGKNAO-CPNJWEJPSA-N 446.484 4.039 10 40 IICB O=C1Nc2ccc(Br)cc2/C1=C1/SC(=S)N(CCc2ccccc2)C1=O 9188652 KILAHOIKMKLBDG-NXVVXOECSA-N 445.363 4.215 10 40 IICB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)o2)cc1 33331155 CKWWCAAABKDMNQ-PDGQHHTCSA-N 434.379 4.379 10 40 IICB C[C@@H]1CCCN(c2ccc([C@@H](C)NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)C1 219219370 GAPJOIUEBODHSU-RTBURBONSA-N 441.597 4.089 10 40 IICB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OC(C)C 408816938 SQAWGAACWBNWBW-CXUHLZMHSA-N 428.872 4.111 10 40 IICB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccccc3F)C2=O)c1 408886339 KAYCAJGUBTXNLA-XSFVSMFZSA-N 430.435 4.380 10 40 IICB CCN(CC)c1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3ncnn32)cc1 21089794 UEQIRNYHFNBHKD-QFIPXVFZSA-N 432.528 4.061 10 40 IICB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@@H](NC(N)=O)c1ccc(Cl)cc1 24750934 UVUBYZKDTCHQEX-OAQYLSRUSA-N 428.964 4.088 10 40 IICB COc1cccc(C(=O)Oc2ccc(Cl)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 35127314 KSXHIPIZXPJCPX-ZHZULCJRSA-N 448.862 4.029 10 40 IICB Cc1c(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1 59139338 QCFGYWPXIPEBCR-UHFFFAOYSA-N 437.952 4.250 10 40 IICB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cccn2-c2ccc(F)cc2)C(=O)NC1=S 409074596 UAAADOZDVLPPMM-SFQUDFHCSA-N 439.899 4.410 10 40 IICB CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=N/N1CCN(c2ccccc2F)CC1 2309354 DFRQZNOBWGIVBH-OCEACIFDSA-N 425.464 4.313 10 40 IICB CN1CCc2cc([C@@H](CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)N3CCCCC3)ccc21 11613047 NSTONDIXAZDZHI-JOCHJYFZSA-N 442.947 4.198 10 40 IICB C[C@@H](NS(=O)(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C1C2CC3CC(C2)CC1C3 12284756 BZGZVTBXLWFZNF-DJKGJOKGSA-N 449.572 4.201 10 40 IICB CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(OC)c1 408986923 NTNOXBZORSCBAK-WQRHYEAKSA-N 441.915 4.170 10 40 IICB O=C(CSc1nnc(-c2cccs2)o1)Nc1cccc2c1C(=O)c1ccccc1C2=O 9509072 MRMWEXSZOWLOLZ-UHFFFAOYSA-N 447.497 4.304 10 40 IICB COc1ccc(N2CCN(C(=O)COc3cc(Cl)c(Cl)cc3Cl)CC2)cc1 9612606 RUIOUGMXNRKTOQ-UHFFFAOYSA-N 429.731 4.383 10 40 IICB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)c(C)c1 13660822 OXOJCPIGDKKQKH-DSITVLBTSA-N 441.531 4.421 10 40 IICB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C 14009572 VTXUGKVHJBBVRP-MQXJPVLKSA-N 434.536 4.254 10 40 IICB CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccc(Cl)cc2)cc1 17995818 UPKRAJVVJLFKFB-VABKMULXSA-N 447.922 4.457 10 40 IICB COc1ccc(N/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)c([N+](=O)[O-])c1 101129411 IYXJUEVSNLRCKA-XNTDXEJSSA-N 431.246 4.084 10 40 IICB CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 225839059 CTEQCDKGADGYGX-KRWDZBQOSA-N 427.570 4.056 10 40 IICB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccccc1O 260918223 LJMSHESNMDDLKS-PUZWTLIVSA-N 448.592 4.346 10 40 IICB Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 1134419 OYRQTKBPXDYMEK-CIAFOILYSA-N 434.427 4.234 10 40 IICB O=C1/C(=C/c2ccccc2F)SC(=S)N1CC(=O)N1CCCC[C@@H]1c1cccnc1 8997184 XPOSSRIPTPYRCF-GEBKJHSDSA-N 441.553 4.176 10 40 IICB COc1ccc(N2C(=O)CN(c3c(C)cccc3C)C(=O)[C@@H]2c2ccc(N(C)C)cc2)cc1 13591643 VQVGXPILKJTVKX-SANMLTNESA-N 443.547 4.499 10 40 IICB CC1=CC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(Br)c3)C(=N)N2O1 41078328 QPPQGVVRQHYRIS-RCOXNWNUSA-N 438.281 4.478 10 40 IICB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccn2)c1C 223061493 YXBLLECJDRXFCU-XZOQPEGZSA-N 435.597 4.202 10 40 IICB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1cc2[nH]c(O)nc2cc1Br 408532942 RPZLRCSHFQPKKA-LCYFTJDESA-N 426.274 4.058 10 40 IICB CCOc1cccc(N2C(=O)/C(=C\c3c(OCC)ccc4ccccc34)C(=O)NC2=S)c1 408740829 IIUPJROFJAVOQH-QNGOZBTKSA-N 446.528 4.469 10 40 IICB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(C)C)c(Br)c3)C2=O)c1 408803962 VFIVTGIJRQZOEM-MHWRWJLKSA-N 443.297 4.211 10 40 IICB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1OC 408805804 HRLJFDJPIXTWKD-MHWRWJLKSA-N 442.899 4.421 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OC 408811623 VYQSFRTWSQNNAJ-XYOKQWHBSA-N 435.263 4.067 10 40 IICB CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2F)NC1=S 409008235 WXFKYFHMCLEDII-YBEGLDIGSA-N 435.318 4.245 10 40 IICB CCCN1C(=O)/C(=C\c2cc(Cl)c(OC)c(OC)c2)C(=O)N(c2ccccc2)C1=S 409017641 GGYSYCKETBOHCE-LFIBNONCSA-N 444.940 4.311 10 40 IICB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)C2=O)c1 409100693 WCEZCSLMJYWDRK-WSDLNYQXSA-N 446.482 4.073 10 40 IICB Cc1cc(N2Cc3ccccc3C2)ccc1/C=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O 4087207 MDGANJBJWVBNMS-UCQKPKSFSA-N 429.520 4.310 10 40 IICB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3cc4ccccc4o3)C2=O)c(C)n1-c1ccccc1 9477525 XNGLHBWHZAMEAS-SANMLTNESA-N 441.487 4.490 10 40 IICB O=C(CN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1nc2ccccc2s1 16672839 RIKBFBCCSLJUHN-DHDCSXOGSA-N 429.523 4.275 10 40 IICB CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 59462526 WABFJNSEFIDWTL-LICLKQGHSA-N 444.490 4.010 10 40 IICB COc1ccc(N2CCN(C(=O)C34C[C@H]5C[C@@H](CC(Br)(C5)C3)C4)CC2)cc1 102588332 LTXDFTNTWDHMQR-WZGNDQMWSA-N 433.390 4.078 10 40 IICB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cn2)c1C 223061877 IBRBCHRHVDQXPP-GOTSBHOMSA-N 435.597 4.202 10 40 IICB O=C1NC(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C\c1cccc(O)c1 408936536 KWSOYRMABQWUJO-BKUYFWCQSA-N 448.862 4.291 10 40 IICB CCN1C(=O)/C(=C/c2cccn2-c2ccc(I)cc2)SC1=S 409375890 QMRZQUQZCOOUJW-UVTDQMKNSA-N 440.331 4.303 10 40 IICB CCC1=NN2C(=N)/C(=C/c3ccccc3OCCOc3ccccc3C)C(=O)N=C2S1 8407464 SQGRARVLDXSCPQ-FIAPBCBLSA-N 434.521 4.482 10 40 IICB COC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccc(C)cc4)C3=O)c2C)cc1 9264566 SOBMVVXNTCPYJK-OEAKJJBVSA-N 443.503 4.282 10 40 IICB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1cccc(C)c1 41082487 DHDWHGLADFKKNM-AYACGFHNSA-N 447.491 4.302 10 40 IICB CCOc1ccc(Br)cc1/C=C1/C(=O)N(c2ccc(F)cc2)C(=O)N=C1O 59135662 AMVMCEBZPASHLE-XNTDXEJSSA-N 433.233 4.494 10 40 IICB O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)NCc1ccc(N2CCCCC2)cc1 62580495 QSYMYFWOMBGKLS-UHFFFAOYSA-N 427.548 4.390 10 40 IICB CCCN1C(=O)/C(=C\c2ccc(Oc3ncccc3[N+](=O)[O-])c(OC)c2)SC1=S 409342962 CCBBBMWDYGOYNT-LFIBNONCSA-N 431.495 4.402 10 40 IICB CC(=C\c1ccccc1)/C=C1/SC(=S)N(NC(=O)c2cccc([N+](=O)[O-])c2)C1=O 32701806 BBFSIEPNQMJCNX-YAXRHUFXSA-N 425.491 4.087 10 40 IICB O=C1/C(=C\c2ccccc2F)SC(=S)N1CC(=O)N1CCCC[C@H]1c1cccnc1 33548486 XPOSSRIPTPYRCF-LPGQDOADSA-N 441.553 4.176 10 40 IICB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C2=O)c1 408809674 HRQQRRSNACWBMW-HYARGMPZSA-N 430.435 4.380 10 40 IICB Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1N1CCCC1 408858796 SNPWKBYNXIDEOA-AQTBWJFISA-N 425.941 4.080 10 40 IICB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O 409216289 JUYDQUKFBRQQBE-DKNZLLBESA-N 442.537 4.481 10 40 IICB Cc1ccc(N2C(=O)/C(=C/C=C/c3ccc(N(C)C)cc3)C(=O)NC2=S)cc1Cl 409246037 CYGJNDBXOACQAY-AHEGLGOKSA-N 425.941 4.102 10 40 IICB Cc1ccnc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)c2C)c1 409248333 PVAMSJPQTTWKMQ-DEDYPNTBSA-N 444.560 4.246 10 40 IICB CCN(CC)c1ccc(CN2CCC3(CC[C@H](CNC(=O)OC(C)C)OC3)CC2)cc1 2056225348 MHMPTBXHUQFJJH-HSZRJFAPSA-N 431.621 4.429 10 40 IICB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cccn1Cc1c(Cl)cccc1Cl 2232356 ZKSOPMZQCYNJIB-GDNBJRDFSA-N 444.274 4.098 10 40 IICB COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(OC)c1OC 28942336 XSQBPTXPTDEWFW-PDGQHHTCSA-N 430.551 4.184 10 40 IICB COc1cccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)c1OC 85877333 XWIIVTWUTZOHRL-UHFFFAOYSA-N 435.436 4.300 10 40 IICB biogenic Cc1cc(N2C[C@@H](C)C[C@@H](C)C2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 225956097 ZQXRVIFMKLKDKC-HDICACEKSA-N 438.645 4.354 10 40 IICB CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2ccccc2F)SC1=S 618254501 DHXUBEPMABWFON-GFWHJHDHSA-N 430.526 4.114 10 40 IICB CC[C@H](C)Oc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1Cl 19877607 JPEMFESXJMJHJY-KPENOIPVSA-N 432.904 4.488 10 40 IICB COc1ccc(C(=O)Oc2ccc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2Cl)cc1 41078404 UMLJWKJCDKMDAE-HCNNPVLLSA-N 437.839 4.018 10 40 IICB CN1CCCc2cc([C@@H](CNC(=O)c3ccc(Br)o3)N3CCCCC3)ccc21 9137743 JPIGETMOTYWLAR-LJQANCHMSA-N 446.389 4.382 10 40 IICB Cc1cc(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1NS(C)(=O)=O 218597307 ACGXJFGUJJOFMO-SJLPKXTDSA-N 429.586 4.094 10 40 IICB COc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(O)cc3)C2=O)c(OC)c1 408845721 RFVPNNXCVSVWBU-KGENOOAVSA-N 430.460 4.253 10 40 IICB CC(C)c1ccc(N2C(=O)/C(=C\c3cc4c5c(c3)CCCN5CCC4)C(=O)NC2=S)cc1 9293345 YPXJMQPHNDETAU-JCMHNJIXSA-N 445.588 4.340 10 40 IICB CCCCOc1ccccc1-c1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)[nH]n1 71009430 KGTJTRUWTPIVGL-UHFFFAOYSA-N 434.540 4.227 10 40 IICB COc1ccccc1N/C=C1/SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 101489190 SCBLZGGJIKJHTI-CPNJWEJPSA-N 430.551 4.069 10 40 IICB COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O 408807797 HRHPGNLWYSXHQL-RIYZIHGNSA-N 449.688 4.086 10 40 IICB CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)NC1=S 409005941 HKDNNAQEMRASGX-YBEGLDIGSA-N 447.354 4.114 10 40 IICB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2ccc(C)c(C)c2)C1=O 409239125 CAELYWMTVYSNNU-HMMYKYKNSA-N 429.476 4.159 10 40 IICB CN(C)c1ccc([C@H]2c3ccccc3C=CN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 9360447 AFTHQUFUDXGHKU-QHCPKHFHSA-N 435.505 4.425 10 40 IICB Cc1nc2sc(C(=O)OCC(=O)c3cc(C)n(-c4ccccc4)c3C)c(C)c2c(=O)[nH]1 16097242 MGRGAALWOXDHFQ-UHFFFAOYSA-N 435.505 4.049 10 40 IICB COc1cc(/C=C2/SC(=S)N(c3cccc(C(C)=O)c3)C2=O)cc(OC)c1OC 27530332 ZYIOXNXNSTUCKI-VCHYOVAHSA-N 429.519 4.321 10 40 IICB CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)o2)cc1 32109404 HSVIIIYTRUTVIV-UHHWSGGGSA-N 436.493 4.398 10 40 IICB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OC(C)(C)C 34805687 MHRIKWNDUJGKLM-GDNBJRDFSA-N 445.313 4.096 10 40 IICB O=C1/C(=C\c2cc3ccccc3nc2N2CCOCC2)SC(=S)N1C1CCCC1 102988185 REQYYYMLFQTBLZ-XMHGGMMESA-N 425.579 4.215 10 40 IICB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1OC 408799961 MBXZDQMWUJTHKW-XYOKQWHBSA-N 435.263 4.067 10 40 IICB Cc1ccnc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2C)c1 409145148 PLIXKXQYJQQURA-DEDYPNTBSA-N 444.560 4.246 10 40 IICB COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3C)c2C)C1=O 409239047 FTMZVDKAGRMHME-DEDYPNTBSA-N 442.537 4.262 10 40 IICB COc1ccc(CCN2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)SC2=S)cc1 1441101 SKFGWEZSIAOAEX-UYRXBGFRSA-N 445.562 4.165 10 40 IICB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)CCC2 9593889 VDIQOCOJQYJQPY-MHZLTWQESA-N 441.531 4.233 10 40 IICB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1 408990241 WKJBUVBQCGXEMU-QGOAFFKASA-N 431.404 4.084 10 40 IICB NC(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 409001763 KDIPRCAMJLUSLV-PNCZSKEESA-N 445.479 4.211 10 40 IICB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C1=O 8396016 LCFYVNGMIUSPIA-UOEVCUDDSA-N 441.553 4.148 10 40 IICB Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(N(C)C)c([N+](=O)[O-])c3)C2=O)cc1Cl 8835934 MKTWERAVPJAUIV-RIYZIHGNSA-N 428.832 4.129 10 40 IICB Cc1cc(S(=O)(=O)Nc2cc(SCCC(=O)O)c(O)c3ccccc23)ccc1F 8870886 GOGXWCBUBCIWFG-UHFFFAOYSA-N 435.498 4.361 10 40 IICB Cc1cc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)c(C)n1-c1ccc2c(c1)OCCO2 30479040 XZVYJQKJLOIRDA-UHFFFAOYSA-N 445.519 4.354 10 40 IICB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cccc(C(C)=O)c4)o3)C2=O)cc1 408985436 WVMAHIOMEZFBGE-STZFKDTASA-N 428.444 4.378 10 40 IICB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1OC 409238610 FBPJLELWLAABTP-IQFISFIMSA-N 438.549 4.321 10 40 IICB CCn1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc21 13514507 LKQPOOQJXKIRHG-LICLKQGHSA-N 427.382 4.346 10 40 IICB COC(=O)c1[nH]c2ccc(F)cc2c1/C=C1/SC(=S)N(c2ccc(O)cc2)C1=O 13728623 USVDPVHBQGESLF-CXUHLZMHSA-N 428.466 4.205 10 40 IICB Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c1C 223582889 KJHFJXQQAJIQBK-FGZHOGPDSA-N 441.000 4.416 10 40 IICB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cc2)c1C 223687295 LTVVRXNQBDTEPS-RPWUZVMVSA-N 448.592 4.333 10 40 IICB O=C1/C(=C/c2ccc(O)c(Br)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 409330175 JZZQLAQMOWHBAX-ZSOIEALJSA-N 437.296 4.469 10 40 IICB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C2=O)cc1 2374906 NZHBUYHJVBOUPZ-HYARGMPZSA-N 429.476 4.078 10 40 IICB O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1cccnc1 6456845 DNWWHNKBBQHULR-XNTDXEJSSA-N 448.367 4.074 10 40 IICB COc1ccc(N2CCN(C(=O)CSc3nc(C)c(C)n3C3CCCCC3)CC2)cc1 9349401 CFYHICQEJGLDSL-UHFFFAOYSA-N 442.629 4.455 10 40 IICB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C 222810485 ATSDXJDIADKRQI-FCHUYYIVSA-N 434.565 4.268 10 40 IICB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(OC)cc2)c1C 223011081 KDDRWLDJCZLQPS-PKTZIBPZSA-N 436.581 4.117 10 40 IICB CN1C(=O)/C(=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)SC1=S 1188843 DFQQVJWJBLPDNG-DHDCSXOGSA-N 434.336 4.499 10 40 IICB CCCN1C(=O)/C(=C/c2c(Oc3ccc(C)cc3)nc3ccccn3c2=O)SC1=S 2202143 GEYPIJDZUNJKKO-LGMDPLHJSA-N 437.546 4.406 10 40 IICB O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccccc1[N+](=O)[O-] 8820436 OHDQYMIJRLSINV-YKYHQJSKSA-N 439.518 4.381 10 40 IICB O=C1N=C(O)/C(=C\c2cc(Br)c(Br)o2)C(=O)N1c1ccccc1 59104892 QMFSXYYVUOEWCT-UXBLZVDNSA-N 440.047 4.311 10 40 IICB CC1=NN2C(=N)/C(=C/c3ccc(OCCOc4c(C)cccc4C)cc3)C(=O)N=C2S1 13941794 NJNCHZDYTLXWBG-YNUQAMOLSA-N 434.521 4.400 10 40 IICB CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)NCc2ccco2)cc1 16009688 FYROFDDOQGUHHL-DMTNHVFBSA-N 439.600 4.110 10 40 IICB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccc(Cl)c1 223616876 PVCFKFHMSQZVGH-FGZHOGPDSA-N 441.000 4.497 10 40 IICB CC(=O)Oc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1 682033 RWYLGOIAXRHVEH-UHFFFAOYSA-N 442.496 4.360 10 40 IICB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1 3263792 PKTRRWIIVXWOKF-DEOSSOPVSA-N 435.911 4.397 10 40 IICB CCc1cc2c(C)cc(=O)oc2c(CN2CCN(Cc3ccc(Cl)cc3)CC2)c1O 22918392 LTWWAZDOXVDRPW-UHFFFAOYSA-N 426.944 4.341 10 40 IICB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3cccc(F)c3)C2=O)cc1 408867213 JKVJLJIBGUKRSQ-PXLXIMEGSA-N 430.435 4.092 10 40 IICB CCOc1cccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)c1OCC(=O)O 409209182 HOBUXKZCIIHSHJ-CXUHLZMHSA-N 433.482 4.094 10 40 IICB CC(=O)N1CCCCCCCN(Cc2ccccn2)Cc2cc(N3CCOCC3)ccc21 643563484 XHUHJHXRLXLVAR-UHFFFAOYSA-N 436.600 4.237 10 40 IICB COc1cc(Br)cc(CNc2ccc(I)cc2)c1O 2383668 ONTCNLBNRWVIAZ-UHFFFAOYSA-N 434.071 4.380 10 40 IICB O=C(NCc1ccc(N2CCCCC2)cc1)c1ccccc1NS(=O)(=O)c1ccccc1 13647151 WQHVDOMOOYNBRV-UHFFFAOYSA-N 449.576 4.408 10 40 IICB COc1cc(N2CCCCC2)ccc1CN1CCC(NC(C)=O)(c2ccc(F)cc2)CC1 19021117 ZIYBNOZWYWRVRX-UHFFFAOYSA-N 439.575 4.452 10 40 IICB CCCCCCOc1ccccc1/C=C1/SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O 26458781 BDABQPPRZAPDNE-HZGBGQKMSA-N 439.624 4.034 10 40 IICB CN(C)c1ccc([C@H](CNC(=O)COc2ccccc2)N2CCc3ccccc3C2)cc1 35349248 MEGGCIOIZISROW-SANMLTNESA-N 429.564 4.047 10 40 IICB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(O)c(Br)c3)C2=O)cc1 408986023 ZDAJANSZELHJTH-QPEQYQDCSA-N 449.688 4.037 10 40 IICB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O)Nc1cccc(F)c1 409246497 BZUSCDZDCXTUPV-XDHOZWIPSA-N 425.485 4.101 10 40 IICB Cc1cc(C(=O)COC(=O)C[C@H]2Sc3ccccc3NC2=O)c(C)n1-c1ccccc1 2627635 WZRPUCDOBQVKPZ-JOCHJYFZSA-N 434.517 4.323 10 40 IICB aggregator CCN(Cc1ccccc1)C(=O)CCN1C(=O)/C(=C\c2ccccc2F)SC1=S 8819274 CNYHLCQBYBBHFF-XMHGGMMESA-N 428.554 4.466 10 40 IICB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O)Nc1ccccc1F 33293754 VKOFLALXIRCLDY-UYRXBGFRSA-N 425.485 4.101 10 40 IICB COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(Cl)cc4)co3)CC2)cc1 56949964 JEANBLYHDIZLAG-UHFFFAOYSA-N 440.927 4.203 10 40 IICB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1 24334678 RTEMBCFAEUGXDC-UHFFFAOYSA-N 439.581 4.055 10 40 IICB CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 218641103 WQXJBMLTOBLQCJ-SFHVURJKSA-N 429.586 4.176 10 40 IICB Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1N(C)S(C)(=O)=O 260512328 VYWPFJXGNADCHF-PKOBYXMFSA-N 443.613 4.118 10 40 IICB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Br 408785342 YOXQIZMRNAWLLW-MHWRWJLKSA-N 443.297 4.131 10 40 IICB COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)N(CC(=O)O)C1=O 409326882 FWMHQYJZZKQBAP-UWVJOHFNSA-N 443.590 4.449 10 40 IICB CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3)SC2=S)cc1 9446099 MSBTWFQRYNHNGS-NBVRZTHBSA-N 440.546 4.093 10 40 IICB CC(C)c1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](CC(=O)O)C(=O)O)C3=O)o2)cc1 12414303 VPIXSUOGJBWOPH-GESOSKEOSA-N 445.518 4.199 10 40 IICB CCOc1cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc(Br)c1O 15930366 SYSVZFJWBHFZLC-OVCLIPMQSA-N 445.269 4.058 10 40 IICB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)C1 101226583 VWAWTUKVRVMZBS-RKOGDMNLSA-N 445.515 4.046 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)c(Cl)cc1OC 107907659 JXEKHJDMQJHUTA-MHWRWJLKSA-N 444.940 4.141 10 40 IICB CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)C1=O 409044341 BLKYXMDVQSZQOV-UDWIEESQSA-N 435.505 4.242 10 40 IICB COc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(SC)SC4=NC3=O)c2C)c1 41083541 GNZSBPKENQRYMA-CSCXBHOMSA-N 425.539 4.042 10 40 IICB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1 409193471 DJNQHTORVBINHP-WJDWOHSUSA-N 429.270 4.114 10 40 IICB COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1OC(C)C 409230633 DPXWCFADSCMDIF-MHWRWJLKSA-N 444.940 4.276 10 40 IICB O=S(=O)(Nc1cc(Sc2ncn[nH]2)c(O)c2ccccc12)c1ccc(Cl)cc1 2685352 CLTMZTQXUGUMOX-UHFFFAOYSA-N 432.914 4.269 10 40 IICB Cn1c(-c2ccc(Br)cc2)cnc1SCC(=O)NCc1ccc(F)cc1 12544423 DUSFLIFXLODDTJ-UHFFFAOYSA-N 434.334 4.397 10 40 IICB CC(C)NS(=O)(=O)c1cc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)n(C)c1 12890710 ZXTMLJYOAZFNOM-WCWDXBQESA-N 425.514 4.380 10 40 IICB Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1NS(C)(=O)=O 218587815 PMAHJQZKZGLQMI-GOSISDBHSA-N 429.586 4.094 10 40 IICB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3c(C)nn(-c4ccc(C)c(C)c4)c3C)C2=O)c1 408758156 WDHXXFVFICSTAO-LPYMAVHISA-N 428.492 4.081 10 40 IICB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(O)cc3)c2C)C1=O 409243298 RONUJNOMQPKERI-XDHOZWIPSA-N 449.894 4.428 10 40 IICB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)c(C)n1-c1ccccc1 409364868 NMGRSVBXBBBGIH-KGENOOAVSA-N 437.565 4.389 10 40 IICB CN(C)c1ccc([C@H](CNC(=O)C2CCCC2)N2CCN(c3ccc(F)cc3)CC2)cc1 22665642 CMXFRVFVSAXGJW-VWLOTQADSA-N 438.591 4.061 10 40 IICB COc1ccc(NC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1OC 35597228 AUOJSKGOSDZAPM-QFIPXVFZSA-N 438.572 4.045 10 40 IICB Cc1cccnc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1C 260924280 TVTGSJXVLPYDJG-WTIAFYNJSA-N 447.608 4.344 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(O)cc4)c3C)C2=O)cc1C 408848129 PJBCMERFYBYIPZ-LPYMAVHISA-N 429.476 4.083 10 40 IICB Cc1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)cc1 409243826 UURTWNFPGWBEBA-XKZIYDEJSA-N 430.464 4.404 10 40 IICB COc1ccc(N2CCOCC2)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 9526230 ZJHXOANLOIWLAR-ZDUSSCGKSA-N 425.312 4.245 10 40 IICB Cc1cccnc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C 223233794 KKTWTYZQAFVIAK-XZOQPEGZSA-N 448.640 4.117 10 40 IICB Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1NS(C)(=O)=O 260452863 ACGXJFGUJJOFMO-WMZOPIPTSA-N 429.586 4.094 10 40 IICB COc1ccc(N2C(=O)C(=Cc3cccs3)C(=O)N(c3ccc(OC)cc3)C2=O)cc1 2532790 RLYURVDTFANBKB-UHFFFAOYSA-N 434.473 4.349 10 40 IICB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc2C)cc1 224089942 NYYDUVISSMXWLQ-UHFFFAOYSA-N 437.565 4.100 10 40 IICB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1O 408723665 ZIDOLAGLXVRUNJ-LFYBBSHMSA-N 427.696 4.184 10 40 IICB Cc1cc(/C=C2/C(=O)Nc3ccccc32)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 409207385 VWLWGSMBJOMGFK-KGENOOAVSA-N 444.491 4.332 10 40 IICB CCOc1ccc(-n2c(C)cc(/C=C3/SC(=O)N([C@@H](C)C(=O)OC)C3=O)c2C)cc1 982538 MGARAMHNXJNNDO-UZUMKDMXSA-N 428.510 4.091 10 40 IICB CC1=NN2C(=N)/C(=C/c3cn(Cc4ccccc4[N+](=O)[O-])c4ccccc34)C(=O)N=C2S1 8916717 OUROVMKBKAEFLO-HJTUMBPSSA-N 444.476 4.237 10 40 IICB CCOc1cc(C)c(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1C(C)C 13897061 GDUUANADNAVPBH-UNOMPAQXSA-N 426.513 4.488 10 40 IICB CCOc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 408895909 GBOAAPWYJVTZJQ-RIYZIHGNSA-N 435.263 4.067 10 40 IICB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H](C)NC(=O)c3cccc(C)c3)c2C)cc1 13062747 NBPWXSJEKJHVAU-IBGZPJMESA-N 432.520 4.255 10 40 IICB COC(=O)[C@@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 15996446 RFAJRKWQTJNEBK-HJOGWXRNSA-N 435.479 4.293 10 40 IICB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c(C)n1-c1ccc(Cl)cc1 35200229 DSZTUYKUUNOKKL-PSLXWICFSA-N 427.932 4.431 10 40 IICB O=C(NN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S)c1ccc([N+](=O)[O-])cc1 1230926 ZHIPEZJQQIQPKO-PDGQHHTCSA-N 435.486 4.294 10 40 IICB CC(/C=C1\SC(=S)N(CC(=O)Nc2ccccc2C(=O)O)C1=O)=C\c1ccccc1 8820629 DQOXLBOPWREITP-UJUKKVGJSA-N 438.530 4.171 10 40 IICB O=C(CCN1C(=O)/C(=C2/OC(=O)c3ccccc32)SC1=S)Nc1ccc(Cl)cc1 16739610 GMGDDFCWDBIDBZ-MSUUIHNZSA-N 444.921 4.068 10 40 IICB C[C@@H](C(=O)Nc1ccc2oc(=O)ccc2c1)N1C(=O)/C(=C/c2ccccc2)SC1=S 33548577 NZHKEBGQYPZAGL-FHNWIRHTSA-N 436.514 4.021 10 40 IICB COc1ccc(CCN2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)cc1OC 35040965 XXHKGBUWHTYPHD-LDADJPATSA-N 430.507 4.056 10 40 IICB C[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 219219442 GAPJOIUEBODHSU-MOPGFXCFSA-N 441.597 4.089 10 40 IICB CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1NC(C)=O 224487615 BEXUKOQCTCHWAF-INIZCTEOSA-N 447.626 4.397 10 40 IICB CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 409045764 HMEUJTFTCRFIBP-OQLLNIDSSA-N 435.263 4.067 10 40 IICB CCc1cccc2c(/C=C3\SC(=S)N(C)C3=O)cn(CC(=O)N3CCCC[C@H]3C)c12 409135337 UMEVUHDRFKAFRJ-VUFYJBQKSA-N 441.622 4.436 10 40 IICB COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1NC(C)=O 11615550 JTEOVJPAQHHZST-UHFFFAOYSA-N 437.930 4.231 10 40 IICB COc1ccccc1N1CCN(c2cc(Cc3ccccc3)c([N+](=O)[O-])cc2[N+](=O)[O-])CC1 16248092 ZOCCHVZCINJFIT-UHFFFAOYSA-N 448.479 4.429 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCC 408779710 IOIKNQMOAPYGGM-LICLKQGHSA-N 442.899 4.421 10 40 IICB O=C1NC(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2cccc3ccccc23)C(=O)N1 409058712 SPNNHAYGYIJUBU-UHFFFAOYSA-N 441.270 4.475 10 40 IICB CC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(C)cc4C)cc3)C(=O)N=C2S1 13898983 CDDFLMOPYXZBEJ-YNUQAMOLSA-N 434.521 4.400 10 40 IICB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 15011501 XHZHJESIHUHULP-LZYBPNLTSA-N 447.450 4.135 10 40 IICB CCN1c2ccccc2C(c2ccccc2)=C(C(=O)N2CCc3ccccc32)S1(=O)=O 219185938 KZZFBRZCYHZASX-UHFFFAOYSA-N 430.529 4.205 10 40 IICB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1ccc(O)cc1 223227677 ZRPICFQVUYUOHV-BJKOFHAPSA-N 449.624 4.119 10 40 IICB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccc1F 223266933 VJFBZWXWYVVCBC-PKTZIBPZSA-N 437.588 4.162 10 40 IICB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(OCc2ccccc2)c1 408878271 ZHTJTDUHUIRRSF-STZFKDTASA-N 444.512 4.106 10 40 IICB CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc([N+](=O)[O-])c1O 409329650 GQSBTLZZJPIDQT-BOPFTXTBSA-N 445.522 4.171 10 40 IICB Cc1ccnc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)c1 223233434 REOBKNNGZHIFTL-DNQXCXABSA-N 448.640 4.117 10 40 IICB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccc(Br)cc1 409401791 ZZHANCJVMQRIAL-ZHZULCJRSA-N 449.304 4.490 10 40 IICB CCCN1C(=O)/C(=C/c2cc(Br)cs2)C(=O)N(c2ccccc2)C1=S 981470 NMOBJGXSJKYLPD-GDNBJRDFSA-N 435.368 4.464 10 40 IICB Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc(N(C)C)cc1 1006048 KLTIEFBWOBEBKF-UDWIEESQSA-N 441.553 4.148 10 40 IICB O=C(c1ccccc1)N1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1 12937064 LLHOJUQVLPIJAS-UHFFFAOYSA-N 425.326 4.266 10 40 IICB Cc1cc(CN(CCCN2CCOCC2)Cc2cccnc2)c(C)n1-c1ccccc1F 19567574 JRPKXAQGBUTLSV-UHFFFAOYSA-N 436.575 4.353 10 40 IICB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc21 208197008 IEVOADZTUMGJSD-RFRKOGIWSA-N 437.540 4.379 10 40 IICB COc1ccc2cc(/C=C3\SC(=S)N([C@@H](C(=O)O)C(C)C)C3=O)c(Cl)nc2c1 256055680 PKTBUNATOUCKBJ-XIEDVDOYSA-N 436.942 4.207 10 40 IICB CCN1C(=O)/C(=C/c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)SC1=S 3205455 KKAQFDMENGTPQN-XASRFGTQSA-N 439.518 4.468 10 40 IICB Cc1ccccc1NC(=O)CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 8765580 PJNFNFARMQAOLX-UNOMPAQXSA-N 440.546 4.344 10 40 IICB COc1ccc([C@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3O)CCCC5)=NN2)cc1OC 12297135 VNIHIWUSUPKLNZ-QGZVFWFLSA-N 434.492 4.142 10 40 IICB biogenic COc1ccc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1 16914162 IZURPXBFTJJFPZ-MHZLTWQESA-N 443.591 4.220 10 40 IICB COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(C(F)(F)F)cc3)SC2=S)cc1 109016382 PGFPWIUDDZBOCP-GDNBJRDFSA-N 438.452 4.260 10 40 IICB Cc1ccc(-n2c(C)cc(/C=C3\NC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)c2C)cc1 409086771 GYGDWTTYGHCYAA-UCQKPKSFSA-N 442.519 4.242 10 40 IICB Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)c3ccccc32)c1 409390448 FLJUSSSRXAPGDY-HYARGMPZSA-N 436.471 4.059 10 40 IICB O=C1/C(=C/c2cc3ccccc3nc2N2CCOCC2)SC(=S)N1Cc1ccco1 10233266 JSMNYRRCLBXUNS-UYRXBGFRSA-N 437.546 4.066 10 40 IICB O=C1N=C(O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 17147480 UJWBISMYNHUKSX-BOPFTXTBSA-N 437.795 4.379 10 40 IICB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(N4CCCCC4)c(F)c3)C2=O)o1 34890537 USFBCHJYUJEGMC-XDHOZWIPSA-N 444.484 4.432 10 40 IICB Cc1ccc(-c2ccc(/C=C3\C(=O)N(C)C(=O)N(c4ccccc4)C3=O)o2)cc1[N+](=O)[O-] 59138959 RVAGNIPPGWWFPC-QGOAFFKASA-N 431.404 4.172 10 40 IICB CCN(CC)c1ccc(N/C=C2/C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)cc1 102641296 OQYZHPHYUOCPAN-PGMHBOJBSA-N 428.492 4.265 10 40 IICB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC 211087814 CGMZEPSZCJKZID-GZTJUZNOSA-N 428.872 4.194 10 40 IICB O=C(O)c1cc(Cl)ccc1OCC(=O)N(Cc1ccccc1)Cc1ccccc1O 257240567 HUDBLLNJHUCVDU-UHFFFAOYSA-N 425.868 4.352 10 40 IICB CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1ccc2nc(O)[nH]c2c1 408536769 XYMRLQGIONLEOH-ZROIWOOFSA-N 440.301 4.366 10 40 IICB O=C1NC(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1ccccc1O 408935035 GBVLJVMHGYGMII-DEDYPNTBSA-N 448.862 4.291 10 40 IICB O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Br)o1 409208040 FCGZJMRZUUJUHN-RMKNXTFCSA-N 430.041 4.015 10 40 IICB CCOC(=O)C1=NN(c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]1c1ccc(C)cc1 624386 RAQPCOTUDZPFNQ-QFIPXVFZSA-N 438.483 4.336 10 40 IICB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C 14009588 INQNZARQXDIEEM-NBOCOGBRSA-N 434.536 4.254 10 40 IICB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CSc2ncnc3sccc23)cc1 24746792 KMHMGQAPOJXCCM-GOSISDBHSA-N 442.610 4.057 10 40 IICB COc1cc(/C=C2/C(=O)NC(=S)N=C2O)cc(Cl)c1OCc1ccc(Cl)cc1 27532431 XNYVXYDLRJJISX-UHFFFAOYSA-N 437.304 4.336 10 40 IICB CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccccc1 32110009 QQYOVEDPKONJCI-WOJGMQOQSA-N 430.913 4.424 10 40 IICB N#Cc1ccccc1COc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33645348 HAFFASPAACACQP-BKUYFWCQSA-N 429.863 4.252 10 40 IICB COc1cc(N/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)c(OC)cc1Cl 112293573 IDOVZWUOENJPTB-ODLFYWEKSA-N 430.848 4.374 10 40 IICB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccccn1 260910243 COTREUNHWKPNTF-SXSPYAJSSA-N 433.581 4.036 10 40 IICB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\Sc3nnc(CC)o3)C(=O)O)c2C)cc1 408632831 TZIWFHZPIPIUAK-PDGQHHTCSA-N 441.509 4.434 10 40 IICB CCOc1c(Br)cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1OC 408940386 NWUUSBWXDYULHO-MHWRWJLKSA-N 443.297 4.298 10 40 IICB COc1ccc2nc(/C=C3/SC(=S)N([C@H](C(=O)O)c4ccccc4)C3=O)ccc2c1 8993089 NCLSXSRWTVUNMO-GQEMFKIVSA-N 436.514 4.271 10 40 IICB Cc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C 223265442 LLUBPCOQJKKEAH-RPWUZVMVSA-N 433.625 4.332 10 40 IICB CCOC(=O)Cn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2ccccc21 409125215 DMOSHEJKBNPTCW-GRSHGNNSSA-N 437.546 4.001 10 40 IICB COc1ccccc1[C@H]1CC(=O)Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c21 96115697 KYROTJCFQFLAOV-OAHLLOKOSA-N 430.412 4.321 10 40 IICB biogenic CC[C@H](C)OC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc2c1CCCC2 225775257 ZRTARTCKEOUQGK-UKCJKJFHSA-N 431.554 4.434 10 40 IICB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccc(C)c4)c3C)C2=O)c1 408752402 AKJZVKULVBATKH-OEAKJJBVSA-N 443.503 4.468 10 40 IICB Cc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c(C)n1-c1ccccc1C(=O)O 59135307 XBESWGUXWNHHJV-XDHOZWIPSA-N 447.422 4.438 10 40 IICB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3OCC(C)C)SC2=S)cc1 408600467 ZFHVXODTNYZVDM-XDHOZWIPSA-N 442.562 4.276 10 40 IICB COc1ccc(CCN2C(=O)/C(=C\c3cccc(OC)c3OC)SC2=S)cc1OC 1045065 JQQSBESBXCQRQF-CPNJWEJPSA-N 445.562 4.165 10 40 IICB COc1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1S(=O)(=O)O 4523058 GAAUIFWXJUPEPQ-UHFFFAOYSA-N 440.565 4.254 10 40 IICB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4O)[C@H]3C2=O)cc1 9232878 PWGSGXKGZUSYKQ-SMIHKQSGSA-N 444.487 4.232 10 40 IICB CCOc1cc(/C=C2/SC(Nc3cccc(Cl)c3)=NC2=O)ccc1OCC(=O)O 16916248 AKFSUYAIYWQTMR-RQZCQDPDSA-N 432.885 4.285 10 40 IICB Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 34746360 CRGGBZWTMSAGHS-MOSHPQCFSA-N 442.544 4.368 10 40 IICB CCN(CC)c1ccc(CN(C(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)[C@H]2CCS(=O)(=O)C2)cc1 54317470 QAOXONSVQHWZME-VABKMULXSA-N 446.657 4.287 10 40 IICB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nc1ccc(Br)cn1 101077965 BNDGMTIUPZKOJR-NTEUORMPSA-N 436.107 4.325 10 40 IICB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccc1F 223267058 VJFBZWXWYVVCBC-GOTSBHOMSA-N 437.588 4.162 10 40 IICB CCOC(=O)[C@@H]1[C@@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 9425276 QFWYLEYRXUFTBP-ZLNRFVROSA-N 439.467 4.276 10 40 IICB O=C(O)CCCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1O 9909684 DLMYXTHCMWFPJR-KRWDZBQOSA-N 431.286 4.087 10 40 IICB O=C1NC(=O)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C\c1ccc(N2CCCC2)c(F)c1 15013508 GUFTZESLDUFUEB-ZROIWOOFSA-N 448.281 4.399 10 40 IICB CN1CCCc2cc([C@H](CNC(=O)COc3ccc(Cl)cc3)N3CCCC3)ccc21 16838199 AXHJCXZEFQMSCR-QHCPKHFHSA-N 427.976 4.055 10 40 IICB COc1ccc(-c2csc(N3N=C(C)[C@@H](/N=N/c4cccc(C(=O)O)c4)C3=O)n2)cc1 100510852 IMWHIQLZTOQPKD-IUBFCHALSA-N 435.465 4.392 10 40 IICB COc1ccc(N2CCN(C(=O)C3CCN(Cc4ccc(Cl)cc4F)CC3)CC2)cc1 225578134 MZKGVQPIKUAAMX-UHFFFAOYSA-N 445.966 4.049 10 40 IICB CC(C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 409238906 OILAKSOGHYWSOU-MHWRWJLKSA-N 434.439 4.324 10 40 IICB NS(=O)(=O)c1cccc2cc(/N=N/c3cccc4c(S(=O)(=O)O)cccc34)ccc12 4748426 PJYDTRSKIYLDEE-GHVJWSGMSA-N 441.490 4.303 10 40 IICB in-vivo Cc1cnc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)c(Cl)c3)c2C)cn1 9284814 PGWZVTCFKIXIMN-UHFFFAOYSA-N 449.841 4.487 10 40 IICB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc(N4CCCC4)cc3)c2)cc1 223956341 TTWZYUKLVWCOHZ-UHFFFAOYSA-N 449.576 4.326 10 40 IICB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)o1 409243165 ZJTSCXCXIWZRCK-LDADJPATSA-N 447.472 4.303 10 40 IICB COc1ccccc1N1C(=O)/C(=C/c2ccc(Sc3ccccc3)o2)C(=O)NC1=S 9323776 OMJRMKHPZDDQJF-DTQAZKPQSA-N 436.514 4.271 10 40 IICB Cc1cc(C(=O)CSc2nnc([C@@H]3COc4ccccc4O3)o2)c(C)n1-c1ccccn1 9515987 OXCNJQLBZWIEAR-FQEVSTJZSA-N 448.504 4.360 10 40 IICB COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 14414293 UKNMTIDGMHXJBV-WQRHYEAKSA-N 426.856 4.429 10 40 IICB COC(=O)[C@H](C)N1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)SC1=S 27563210 OMVRTSWSEVCNQD-SLDJAQPHSA-N 436.558 4.452 10 40 IICB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc(Cl)c1 223576880 PFNPLJPMDYPBCJ-RTWAWAEBSA-N 426.973 4.107 10 40 IICB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccc(Cl)c1 223616926 PVCFKFHMSQZVGH-YADHBBJMSA-N 441.000 4.497 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc(Cl)c1OC 409136113 SGHKGCDIYITDTH-OQLLNIDSSA-N 444.940 4.195 10 40 IICB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C2=O)c1 9309876 AKDYDVBHSLOTJB-NDENLUEZSA-N 445.431 4.446 10 40 IICB COc1cc2c(cc1NCc1nnc3n(C)c(=O)c4ccccc4n13)oc1ccccc12 11619485 UMNWILUUMAQNOD-UHFFFAOYSA-N 425.448 4.101 10 40 IICB Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 59138730 XESUFSJOWMGICT-FYJGNVAPSA-N 444.447 4.011 10 40 IICB CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C(=O)OC(C)C)C1 102345571 OUQDCSTZHCGKIT-AVKRCAIGSA-N 431.554 4.290 10 40 IICB CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1OCC(=O)O 210457417 NQXWGYPMAVKYRE-YVLHZVERSA-N 433.482 4.094 10 40 IICB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(N(C)C)cc3)C(=O)O)o2)c1 408634321 UJBOOIKBOYPRHF-NVMNQCDNSA-N 427.482 4.038 10 40 IICB CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 408902809 LNUJZROMTNGITR-LVLBFHFTSA-N 443.297 4.293 10 40 IICB COc1ccc(N2CCN(C(=O)c3oc4ccc(Br)cc4c3C)CC2)cc1 634115 NDMJRACVCJHQBS-UHFFFAOYSA-N 429.314 4.475 10 40 IICB O=C(O)CCCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1O 9909688 DLMYXTHCMWFPJR-QGZVFWFLSA-N 431.286 4.087 10 40 IICB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccn1 223299941 COTREUNHWKPNTF-TZYHBYERSA-N 433.581 4.036 10 40 IICB COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1cc(OC)ccc1OC 409367038 BIAFJPHSIXOKDV-UNOMPAQXSA-N 425.506 4.303 10 40 IICB O=C1/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)SC(=S)N1Cc1ccccc1 32124980 BAAMXKSVOOCZBA-GZTJUZNOSA-N 432.548 4.081 10 40 IICB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2)c1C 223650275 HHZSYJSKERJTBV-ZEQRLZLVSA-N 448.592 4.333 10 40 IICB O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(Br)cc1 1312110 BKLUYGWAZHEARK-JYRVWZFOSA-N 439.381 4.351 10 40 IICB COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(c2ccc(N(C)C)cc2)C1=O 2252339 PRAQVYYURKAEQV-ODLFYWEKSA-N 430.551 4.184 10 40 IICB COc1cccc(OC)c1C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 9137477 WXSJZBALBWQGGV-QFIPXVFZSA-N 437.584 4.043 10 40 IICB COc1ccc(C2=NN(C(=O)c3ccccc3)[C@@H](c3ccc(OC)c(OC)c3)C2)c(O)c1 13121779 LJZJYUMQIAGXKX-OAQYLSRUSA-N 432.476 4.410 10 40 IICB CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2F)N2CCN(c3ccccc3)CC2)cc1 16914627 KANDMHWDSVDKMA-AREMUKBSSA-N 446.570 4.185 10 40 IICB Cc1ccc(COc2cc(N(C)C)ccc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 33741757 VLHGYFWTXMIEEQ-HAHDFKILSA-N 427.504 4.101 10 40 IICB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 89921961 VAOZHFOARDPBBC-LPTQZCDUSA-N 441.959 4.035 10 40 IICB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cc2)c1C 223650660 GDQJWDNVAULQBO-BJKOFHAPSA-N 448.592 4.333 10 40 IICB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)c2C)nc1 408959982 BKXXEOYOAKVOPA-CIAFOILYSA-N 428.492 4.081 10 40 IICB CCC(=O)Oc1ccc(/C=C2/C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc1OC 8430305 DUDXCIOGDHKNNR-OQLLNIDSSA-N 442.855 4.168 10 40 IICB Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(O)cc1 13540139 ZPSIRJQUNGELAK-NDENLUEZSA-N 435.867 4.120 10 40 IICB COc1ccc(NC(=O)CC2(c3ccc(N(C)C)cc3)C(=O)c3ccccc3C2=O)cc1 39929820 VZCVKLXKHWZPIR-UHFFFAOYSA-N 428.488 4.107 10 40 IICB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1 409045741 HKLUKFLEFXGGKT-UHFFFAOYSA-N 441.723 4.140 10 40 IICB CCc1cccc2c(/C=C3\SC(=S)N(C)C3=O)cn(CC(=O)N3CCC(C)CC3)c12 409128622 SNCUKGCXZHICHV-UNOMPAQXSA-N 441.622 4.293 10 40 IICB CC[C@@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cccc1OC 409231044 HWFLBQZUXDUMOM-APVMCDBPSA-N 438.549 4.321 10 40 IICB CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)c2C)cc1 409394088 VMFGRHIWVHXAQN-XQNSMLJCSA-N 442.519 4.498 10 40 IICB CN1CCCc2cc([C@@H](CNC(=O)c3ccc4ccccc4c3)N3CCOCC3)ccc21 13008356 BIVAUHQYASWDJL-AREMUKBSSA-N 429.564 4.026 10 40 IICB CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc3cccc(Cl)c3n2)SC1=S 54360919 LDNSTQMFGXNENZ-CKXDQPNJSA-N 438.983 4.296 10 40 IICB Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c1C 223582995 KJHFJXQQAJIQBK-FCHUYYIVSA-N 441.000 4.416 10 40 IICB CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1C 223615753 BSBIAEAANNTLQB-BJKOFHAPSA-N 434.609 4.406 10 40 IICB CCCOC(=O)CN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 1809392 CQEXFBAMLFDPRG-UYRXBGFRSA-N 427.547 4.420 10 40 IICB NC(=O)[C@H]1CC(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)=NN1c1ccc(F)cc1 12915263 JOBTZUQGYCQXTG-ILOQVAKNSA-N 430.443 4.300 10 40 IICB Cc1cc(C(F)(F)F)nn1CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1O 17095752 AYJIVUABGFDHFX-SFHVURJKSA-N 428.414 4.294 10 40 IICB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)c1cc(C)n(-c2ccc(C)c(F)c2)c1C 21282941 LBPXZPPRJQYEPF-ZMOGYAJESA-N 448.494 4.445 10 40 IICB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2cc(C)n(-c3ccccc3)c2C)C1=O 409242325 QPYYYBXOOOCNPX-HAHDFKILSA-N 442.519 4.188 10 40 IICB CN1C(=O)C(=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)N(C)C1=O 1009499 WHFGLPSPMGLYKX-UHFFFAOYSA-N 442.302 4.430 10 40 IICB CN(C)CCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 8820212 XVYJZYHQGFBHQB-VKAVYKQESA-N 441.018 4.206 10 40 IICB CCOc1cc(/C=C2/C(=N)N3N=C(Cc4ccc(Cl)cc4)SC3=NC2=O)ccc1O 9359415 ZJQMVGPTTUBDLL-POCCGPMPSA-N 440.912 4.306 10 40 IICB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)C(O)=NC1=S 59182267 RLWUDHDDQLMOIU-MHWRWJLKSA-N 432.343 4.344 10 40 IICB CCOC(=O)N1CCC2(CC1)N=C(c1cccs1)C[C@H](c1cccc(OCC)c1O)N2 80324907 DZTXFCQPWRLNNE-QGZVFWFLSA-N 443.569 4.325 10 40 IICB CCOc1cc(N2CCOCC2)ccc1[C@H]1[C@@H](c2ccccn2)N=C2SC[C@@H](CC)N21 222681251 OBBXZXBQOCMUKE-ZQMYSKGWSA-N 438.597 4.296 10 40 IICB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C2=O)cc1 408989646 UUGMLUJTUOLTFR-DEDYPNTBSA-N 445.431 4.392 10 40 IICB COc1ccc(NC(=O)c2ccc(NC(=O)CN(C)Cc3ccc(N(C)C)cc3)cc2)cc1 9220747 YVXSXIAEWAVCAX-UHFFFAOYSA-N 446.551 4.084 10 40 IICB COc1cc(/C=C2/SC(=S)N(CNc3cccc(F)c3)C2=O)cc(OC)c1OC 15133780 ITGJIAQANMFIDY-RQZCQDPDSA-N 434.514 4.122 10 40 IICB CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCCCC2 35861223 XCVAABAQVYBWMI-NONVJHHQSA-N 431.554 4.435 10 40 IICB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c1C 222746046 DWNVILYLSIBRLN-SFTDATJTSA-N 437.525 4.008 10 40 IICB O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 27533913 AFRNHDVVLHZGOZ-KFXIKWRMSA-N 448.363 4.346 10 40 IICB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccn2)c1C 223061546 YXBLLECJDRXFCU-DHIUTWEWSA-N 435.597 4.202 10 40 IICB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC)c(Cl)c3)C2=O)cc1 409056405 MAOGIVKDOZUDDH-OQLLNIDSSA-N 449.290 4.457 10 40 IICB CCOc1cc(C[C@@H]2SC(=S)N(CCOC)C2=O)ccc1OCc1ccccc1 409149553 JRLVRTMSFDFQBQ-FQEVSTJZSA-N 431.579 4.082 10 40 IICB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(O)cc4)c3C)C(O)=NC2=S)cc1 2361896 KZOLAHDQMRJHQG-FYJGNVAPSA-N 447.516 4.480 10 40 IICB COC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CC[C@@H](c1ccccc1)C2 8932022 FQCQJMWJRHSLFF-IXDOHACOSA-N 439.533 4.413 10 40 IICB COc1ccc(N2C(=O)CN(c3ccccc3F)C(=O)[C@@H]2c2ccc(N(C)C)cc2)cc1 15412900 NYAIDNDYSOIDGX-DEOSSOPVSA-N 433.483 4.021 10 40 IICB CN1CCc2cc([C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)N3CCOCC3)ccc21 22733500 ZMRWNHWTYSXNOR-HHHXNRCGSA-N 441.575 4.149 10 40 IICB O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 58246132 YJLKMHQXGMSVDY-FGZHOGPDSA-N 426.513 4.163 10 40 IICB O=C1c2ccccc2C(=O)C1C(c1ccc([N+](=O)[O-])cc1)C1C(=O)c2ccccc2C1=O 102947348 IMSFIAWRQCLBNS-UHFFFAOYSA-N 425.396 4.069 10 40 IICB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(F)cc1 223267546 DVSCXFJIWVJNMC-GOTSBHOMSA-N 437.588 4.162 10 40 IICB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3c(O)ccc4ccccc34)C2=O)cc1 408895171 CSQYDUASCVWCLZ-QNGOZBTKSA-N 430.460 4.391 10 40 IICB CC(C)c1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(O)cc3)C(=O)NC2=S)cc1 409237563 XLIPPXRDEMBCMJ-KGENOOAVSA-N 431.517 4.138 10 40 IICB CCOc1ccc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)cc1OC 8821743 MEQUTMWCGHUUBE-QNGOZBTKSA-N 441.528 4.026 10 40 IICB CC(=O)NC1=NC(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2)S1 9434527 OCARPJBRKXSVJT-YVLHZVERSA-N 431.311 4.135 10 40 IICB Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1N(C)S(C)(=O)=O 222463934 GKMCWXILQXVVEQ-IBGZPJMESA-N 443.613 4.118 10 40 IICB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C 222809948 LEDGJEGNZVBURQ-FCHUYYIVSA-N 434.565 4.268 10 40 IICB COc1cc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1[N+](=O)[O-] 260592145 PSDALHOBNNXFIM-DLBZAZTESA-N 427.501 4.096 10 40 IICB CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)ccc1OCc1ccccc1Cl 2812444 IUCMXVFUULMCKB-YBFXNURJSA-N 430.913 4.424 10 40 IICB CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)o2)cc1 8818952 CIPFZQHCOCTWKK-ATVHPVEESA-N 445.518 4.189 10 40 IICB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC(=O)c4ccccc4)cc3)C2=O)cc1 9720763 PNELRSVGGWITJH-JWGURIENSA-N 440.455 4.135 10 40 IICB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)C1=O 409074784 RNCVAKVNJXKPNO-VVSAQIQQSA-N 448.928 4.354 10 40 IICB CN(C)c1ccc(/C=C/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1 409105437 JJYRCDWYNWWINS-PVZSTHCMSA-N 430.291 4.282 10 40 IICB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCC3)c3ccccc23)C1=O)N1CCCCC1 409376377 XTAQKGODRKTPRA-JWGURIENSA-N 449.576 4.489 10 40 IICB COc1ccc2c3c(n(Cc4ccc(N(C)C)cc4)c(=O)c2c1OC)-c1ccccc1C3=O 604405698 UPNLYBDXXBTRIU-UHFFFAOYSA-N 440.499 4.344 10 40 IICB biogenic O=C1/C(=C\N2CCN(C/C=C/c3ccccc3)CC2)SC(=S)N1CCc1ccccc1 20649251 DDCSDFUIZUSMAW-WIBRGDPGSA-N 449.645 4.262 10 40 IICB N=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N=C2SC(N3CCCC3)=NN12 41084923 HJDUXLSNUVNGGK-BEYSICKZSA-N 425.901 4.272 10 40 IICB CCN1C(=O)/C(=C/c2cn(CCOc3ccccc3F)c3ccccc23)C(O)=NC1=S 59182285 UZKFAYHTMOJQKU-GHRIWEEISA-N 437.496 4.346 10 40 IICB COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(O)c1 408882214 QLFVVTYYHAVNMV-UHFFFAOYSA-N 430.485 4.149 10 40 IICB O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cccn1-c1ccccc1 409228766 DTQTVLCYQBGYBU-QGOAFFKASA-N 441.434 4.327 10 40 IICB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c1C 409242990 UARQBEHTAOSPDU-UDWIEESQSA-N 446.463 4.104 10 40 IICB O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(C(=O)O)cc1 1298824 PZEAOHTUVQYNJE-LGMDPLHJSA-N 426.519 4.005 10 40 IICB Cc1c(CC(=O)NCCC(c2ccccc2)c2ccccc2)c(=O)oc2c(O)c(O)ccc12 13574955 CGVLSUQWSGZJNJ-UHFFFAOYSA-N 443.499 4.394 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc(F)c3)C2=O)cc1 408779316 VAQCROPUMRVZOZ-KGENOOAVSA-N 430.435 4.380 10 40 IICB COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 408891856 CYHYZKANSHVOOH-UYRXBGFRSA-N 441.325 4.392 10 40 IICB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(CC(=O)N2CCCCCC2)C1=O 409209903 IBUHTUSROHTDBE-HKWRFOASSA-N 427.570 4.034 10 40 IICB COc1cccc(N2C(=O)C(=Cc3cccs3)C(=O)N(c3cccc(OC)c3)C2=O)c1 2532789 FGTVNNJUDPMRHR-UHFFFAOYSA-N 434.473 4.349 10 40 IICB COc1ccc2nc(/C=C3\SC(=S)N([C@H](C(=O)O)c4ccccc4)C3=O)ccc2c1 54360849 NCLSXSRWTVUNMO-OVCORXIESA-N 436.514 4.271 10 40 IICB C[C@@H]1CN(c2ccc(CNC(=O)/C=C/c3c(Cl)nc4sccn34)cc2F)C[C@@H](C)O1 69421197 KAVYDEKLLYAIHM-QAMKJQMISA-N 448.951 4.132 10 40 IICB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1C(C)(C)C 408960184 DEBHGZGTQWBFCJ-GZTJUZNOSA-N 444.329 4.289 10 40 IICB Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1cccc(I)c1 409001468 WCHUJQCQDFYXDS-AUWJEWJLSA-N 440.331 4.188 10 40 IICB CCN1C(=O)C(=Cc2ccc(-c3ccc(C)cc3Br)o2)C(=O)N(CC)C1=S 409240152 ROZKAIDRKGYXCJ-UHFFFAOYSA-N 447.354 4.396 10 40 IICB CC(=O)N1N=C(c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)C[C@@H]1c1ccccc1O 9489509 GQYVOZHODFWNDC-HSZRJFAPSA-N 449.532 4.199 10 40 IICB COCCN1C(=O)/C(=C/c2cc3cc(C)ccc3nc2N2CCCCC2)SC1=S 10233260 KFBJPUHVRFCJEW-RGEXLXHISA-N 427.595 4.381 10 40 IICB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 12631910 RUJJQPDBRMOXPX-QFIPXVFZSA-N 437.559 4.327 10 40 IICB CCc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 14253339 YFXJNUAHFPDGGA-UHFFFAOYSA-N 430.551 4.159 10 40 IICB COc1ccc(Br)cc1S(=O)(=O)Nc1nc(-c2ccccc2)cs1 27757070 YAVJNESPPTUIKN-UHFFFAOYSA-N 425.329 4.382 10 40 IICB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O 409011942 ICOFFEPAAVHVGU-MQHRVFIMSA-N 449.868 4.286 10 40 IICB COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c([N+](=O)[O-])cc1OC 409053080 XBWSZBFKIGOLFL-NVMNQCDNSA-N 430.507 4.322 10 40 IICB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1C(=O)c1ccccc1Br 1027462 OSIGQENHRJRPPB-ZROIWOOFSA-N 449.307 4.399 10 40 IICB Cc1cc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(C)n1-c1ccccc1 3304262 RBCGQGRQFYYUBI-UHFFFAOYSA-N 427.844 4.451 10 40 IICB COc1ccc(/C=C2\SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc1OC 13547855 KLMUZHPZYMNQHX-MOSHPQCFSA-N 443.956 4.150 10 40 IICB COc1cccc([C@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)c1 96116355 LSVHCDFGQZKXOA-MRXNPFEDSA-N 430.412 4.321 10 40 IICB biogenic O=C(NN1C(=O)/C(=C\C=C\c2ccco2)SC1=S)c1ccc(Br)cc1 2443371 OKMQCLWZXYOPCX-GSPDUGTFSA-N 435.324 4.145 10 40 IICB COc1ccc(NC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1OC 35597227 AUOJSKGOSDZAPM-JOCHJYFZSA-N 438.572 4.045 10 40 IICB Cc1c(NS(C)(=O)=O)cccc1C(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260455503 YMLFCBRNRCRAGK-WMZOPIPTSA-N 429.586 4.094 10 40 IICB Cc1ccc(N/C=C2\C(=O)NC(=O)N(c3cc(C)c(Br)cc3C)C2=O)cc1C 408526851 CNYVWORSKNENET-MHWRWJLKSA-N 442.313 4.262 10 40 IICB Cc1ccc(Nc2ccc3c4c(cc(=O)n3C)-c3ccccc3C(=O)c24)c(S(=O)(=O)O)c1 1679421 UBBCSDOKROBQLR-UHFFFAOYSA-N 446.484 4.049 10 40 IICB biogenic Cc1ccc(C)c(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(O)cc4)c3C)C(=O)NC2=S)c1 9264707 FVTNCVJVFFNCGZ-BKUYFWCQSA-N 445.544 4.248 10 40 IICB COc1ccccc1OCCCOc1c(/C=C2\SC(=S)NC2=O)cccc1OC 9553956 ZIZHCVWSEXYVGB-AQTBWJFISA-N 431.535 4.041 10 40 IICB CCN1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccc(O)c(OC)c3)=NN12 10214246 PJBUCHFCRLAKOC-IBGZPJMESA-N 427.932 4.410 10 40 IICB CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccc(Cl)cc2)cc1 100722270 UPKRAJVVJLFKFB-XPWALMASSA-N 447.922 4.457 10 40 IICB Cc1ccc(-n2nc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)c2C)cc1 408758004 UEAUWENEVIVZOC-LPYMAVHISA-N 428.492 4.081 10 40 IICB Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4C)o3)C(=O)NC2=S)c1 408960795 OCGSPUPHPWOXPV-XDHOZWIPSA-N 446.484 4.093 10 40 IICB O=C1OC(c2ccccc2)OC(=O)C1=Cc1ccc(OCc2ccc3c(c2)OCO3)cc1 693680 IMWXSXVSSIYEJV-UHFFFAOYSA-N 430.412 4.177 10 40 IICB N=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N=C2SC(C(F)(F)F)=NN12 8867839 LXHNPGGIZRPTPA-YWSQEIRASA-N 435.343 4.036 10 40 IICB CC[C@@H](C)OC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1CCCC2 102345790 ZRTARTCKEOUQGK-AVKRCAIGSA-N 431.554 4.434 10 40 IICB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 107841084 DGIQSZBBBSITMA-UNOMPAQXSA-N 449.850 4.289 10 40 IICB O=C(c1ccccc1)c1coc2ccc(O)c(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c12 257199116 TUYDETQIFLBEGM-PKOBYXMFSA-N 440.499 4.150 10 40 IICB COc1ccc(N2CCN(c3nc4ccccc4c(=O)n3-c3cccc(C)c3C)CC2)cc1 9127247 NVJREYRMCHJORK-UHFFFAOYSA-N 440.547 4.338 10 40 IICB O=c1oc2c(CNC3CCN(Cc4ccccc4)CC3)c(O)c(Cl)cc2c2c1CCC2 13623768 AFLWCAAJDLXCGZ-UHFFFAOYSA-N 438.955 4.395 10 40 IICB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N1CCc2sccc2C1 22082727 OCAITSIUQSPAEC-UHFFFAOYSA-N 441.578 4.080 10 40 IICB Cc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1ccccc1F 33735100 UFMVVKSPJMITBV-MPZQNCSBSA-N 444.495 4.296 10 40 IICB Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)c1 102715628 VVTKWUUSERNDRC-WXFUMESZSA-N 427.504 4.112 10 40 IICB CCCOc1ccc(-c2nc3s/c(=C/c4ccc(N(CC)CC)cc4)c(=O)n3n2)cc1 102824147 IRGVFBXSFGOXPN-LTGZKZEYSA-N 434.565 4.001 10 40 IICB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(OC)cc2)c1C 223011189 KDDRWLDJCZLQPS-DHIUTWEWSA-N 436.581 4.117 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OC(C)C 408800325 LZKNREADDCKFMI-LICLKQGHSA-N 428.872 4.192 10 40 IICB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccccn3)c2C)C1=O 409239509 NWLLNRHFMSFKBJ-SFQUDFHCSA-N 434.883 4.117 10 40 IICB CC(=C/c1ccccc1)/C=C1\SC(=S)N(NC(=O)c2ccccc2[N+](=O)[O-])C1=O 1452157 BYMVPSWDCRIMSD-RQGFIEOQSA-N 425.491 4.087 10 40 IICB Cc1c(Cl)cccc1N1C(=O)/C(=C\c2cccn2-c2ccccc2F)C(=O)NC1=S 9262608 JKAJJFDGWDGPGN-QINSGFPZSA-N 439.899 4.410 10 40 IICB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c(C)n1-c1ccc(Cl)cc1 35200243 DSZTUYKUUNOKKL-FATZIPQQSA-N 427.932 4.431 10 40 IICB Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1NS(C)(=O)=O 218597016 HISCTDUFCBZFPD-SFHVURJKSA-N 429.586 4.094 10 40 IICB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl 408780348 BCLMTGZFLIPMSC-WDZFZDKYSA-N 441.723 4.487 10 40 IICB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccncc3)c2C)C1=O 409242705 XTLZLELGAUYDFH-LDADJPATSA-N 434.883 4.117 10 40 IICB Cc1ccccc1N1C(=O)[C@H]([C@@H]2SC(=S)N(c3ccccc3C)C2=O)SC1=S 8828440 LVLXOARAYDIRQC-HOTGVXAUSA-N 444.628 4.470 10 40 IICB Cc1nc(COc2ccc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2)cs1 9953688 MFKSHIMBIFJSQR-UHFFFAOYSA-N 437.565 4.139 10 40 IICB O=C(COc1ccccc1/C=C1/SC(=S)NC1=O)Nc1ccc(Cl)c(Cl)c1 106884408 HEHWTDAVOFCQIL-VIZOYTHASA-N 439.345 4.500 10 40 IICB COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)C(=O)NC2=S)cc1 408755888 PVDXQYFVACRNNQ-JCMHNJIXSA-N 444.512 4.106 10 40 IICB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3cccc(F)c3)c2C)C1=O 409235288 ZKLGUJYEONQHGK-DEDYPNTBSA-N 447.466 4.298 10 40 IICB Cc1cc(C(=O)Cn2nnc(-c3ccccc3Br)n2)c(C)n1-c1ccccc1 13148324 VELYVGCDNNVJPI-UHFFFAOYSA-N 436.313 4.393 10 40 IICB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1ccc(C)cc1 41082604 CSBRSVSXGRKZRO-AYACGFHNSA-N 447.491 4.302 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1C 59336725 SODUMINUODOQPL-UNOMPAQXSA-N 431.404 4.138 10 40 IICB Cc1ccc(N2C(=O)/C(=C/c3cc(Br)cs3)C(=O)NC2=S)cc1Cl 409231185 IFYQRDZJMALAOL-WUXMJOGZSA-N 441.759 4.304 10 40 IICB CCOc1ccc(/C=C2\SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)cc1OC 2702098 CUFBKZRWYROHKT-UNOMPAQXSA-N 428.535 4.458 10 40 IICB Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N(C)C 8963050 SNAJZQQOHZXOIA-OAQYLSRUSA-N 438.959 4.328 10 40 IICB COc1ccc(N2CCN(c3nc4c(c(Nc5ccccc5)n3)C(=O)CCC4)CC2)cc1 9061062 BUOISPCEZVVUCK-UHFFFAOYSA-N 429.524 4.074 10 40 IICB CCN1C(=O)/C(=C/c2cccc(OC)c2OCc2cccc(C(=O)O)c2)SC1=S 108173273 YUYAIJHKYCEZJI-BOPFTXTBSA-N 429.519 4.194 10 40 IICB CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)ccc1N1CCOCC1 222691913 BVMRVIINSYDKQB-YFXJRYMSSA-N 438.597 4.296 10 40 IICB O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)N1CCCC1 408575392 OCRQMYHDAGYUIY-ZHZULCJRSA-N 438.574 4.089 10 40 IICB COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c1OC(C)C 409241156 JCVKXMFLHBARKI-CPNJWEJPSA-N 438.549 4.437 10 40 IICB COc1ccc(/C=C2/C(=O)N(c3ccccc3Cl)C(=S)N=C2O)c(OC)c1OC 1301416 YOIZTXKZYREOPY-ZRDIBKRKSA-N 432.885 4.037 10 40 IICB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c(C)n1-c1ccc(F)cc1 3270132 AEFNKWSSZZWSMF-AREMUKBSSA-N 445.494 4.200 10 40 IICB COCCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)SC1=S 9189379 JDNUKLGTHSWDLL-MOSHPQCFSA-N 429.563 4.430 10 40 IICB CC[C@@H](C)Oc1cc(Br)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 34868882 DTSSUFUTMSIJND-YDRQLGOLSA-N 445.313 4.096 10 40 IICB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(-c2ccco2)nn1-c1ccccc1 40024660 ADVFXEIPKWKQGV-UHFFFAOYSA-N 442.519 4.241 10 40 IICB Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)o2)c(Br)c1 408692043 CBEITSBWJWKWFW-WJDWOHSUSA-N 443.297 4.422 10 40 IICB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2F)C1=O)Nc1cccc(F)c1 409244389 BVNNQUVCRFWOCJ-VXLYETTFSA-N 443.475 4.240 10 40 IICB Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1cccc(F)c1 409370021 JMQITRBVQXTEMX-NDENLUEZSA-N 441.528 4.282 10 40 IICB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1 35199542 HDRUTHVIRCXNPP-MOSHPQCFSA-N 449.850 4.289 10 40 IICB CC/C(NCCc1c[nH]cn1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 100432862 VUXVRWYWLUCPJO-UZYVYHOESA-N 442.548 4.267 10 40 IICB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 408869129 QWORKNAKHUYAAO-STZFKDTASA-N 432.476 4.236 10 40 IICB Cc1ccc(COc2ccccc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 408872773 INKFRXBUJGUFDT-QNGOZBTKSA-N 428.513 4.405 10 40 IICB COc1ccc(/C=C2/SC(=O)N(CCC(=O)Nc3cccc(C(=O)O)c3)C2=S)cc1 1800007 CSDPVALUPNPXER-GZTJUZNOSA-N 442.518 4.259 10 40 IICB CCN(CC)c1ccc(/C=C2\N=C(c3ccc(I)cc3)OC2=O)cc1 3024561 DBBGTBBVXSHYJG-AQTBWJFISA-N 446.288 4.482 10 40 IICB COCCn1c(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)nc2ccccc2c1=O 3446792 AXFDXAMRHNLZDL-UHFFFAOYSA-N 447.560 4.425 10 40 IICB Cc1cc(C(=O)CSc2nnc([C@H]3COc4ccccc4O3)o2)c(C)n1-c1ccccn1 10037678 OXCNJQLBZWIEAR-HXUWFJFHSA-N 448.504 4.360 10 40 IICB O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C\c1ccc(N2CCOCC2)cc1 12596196 YVWSXBUATRYWCD-DTQAZKPQSA-N 427.426 4.196 10 40 IICB COc1ccc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccc(Cl)cc32)cc1 49003974 NHLFPUPQYPTZRZ-UHFFFAOYSA-N 446.956 4.374 10 40 IICB CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102196362 PQYFAIATJQQAJU-RJGXRXQPSA-N 447.922 4.457 10 40 IICB CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 137825893 XNHDMZWCNVWVKI-RJGXRXQPSA-N 447.922 4.457 10 40 IICB COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(Cl)cc1 409409509 VWHBAOSMCKUHIN-XSFVSMFZSA-N 434.879 4.389 10 40 IICB CC[C@@H](C)N1C(=O)/C(=C/c2c(NCC(C)C)nc3c(C)cccn3c2=O)SC1=S 2258041 LRCPGRFVERWDAJ-KWZJRMENSA-N 430.599 4.071 10 40 IICB Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccccc1F 12363112 AWBAHRDHMLSJKP-VBKFSLOCSA-N 437.471 4.204 10 40 IICB CCOc1ccc(C2=NC3(CCN(C(C)=O)CC3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 65298018 MUXHXDRZGNEOFO-JOCHJYFZSA-N 441.959 4.307 10 40 IICB biogenic CCOc1ccc(-c2cnc(CCC(=O)N3CCN(c4ccc(OC)cc4)CC3)o2)cc1 224861325 QWOXDPXHUCBJOU-UHFFFAOYSA-N 435.524 4.030 10 40 IICB Cc1cc(C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1NS(C)(=O)=O 260452838 ACGXJFGUJJOFMO-FUHWJXTLSA-N 429.586 4.094 10 40 IICB CCOC(=O)COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OC 409202756 UOUZFBNJTLYELZ-LDADJPATSA-N 435.567 4.171 10 40 IICB COC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)C2=O)cc1 666829 RIBMFHVFWMGODT-PDGQHHTCSA-N 436.851 4.156 10 40 IICB CN(C)c1ccc([C@@H]2c3ccccc3C=CN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 9397356 AFTHQUFUDXGHKU-HSZRJFAPSA-N 435.505 4.425 10 40 IICB CCOc1cc(/C=C2\SC(NC3CCCC3)=NC2=O)cc(Br)c1OC 20987500 AVOJCUXNYZRQPU-GDNBJRDFSA-N 425.348 4.359 10 40 IICB COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccccc1F 32111785 QBKVGEIORPJMJK-RQZCQDPDSA-N 434.876 4.173 10 40 IICB COc1ccc(N2CCCN(CC(=O)N3CC[C@H](C)Sc4ccccc43)CC2)cc1 84700063 XAAJGWOZEHAFDJ-IBGZPJMESA-N 425.598 4.125 10 40 IICB Cc1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c2ccc(F)cc2n1 108281988 WEYQJUVBQQZWRU-HZPDHXFCSA-N 425.479 4.365 10 40 IICB Cc1ccc(-n2nc(C)c(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1C 408756052 HFLNXHLHHQDZMC-MTJSOVHGSA-N 448.910 4.426 10 40 IICB Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(N4CCOCC4)cc3C)C2=O)cc1 409075048 XFIVQSAAAZWVAP-JWGURIENSA-N 438.549 4.255 10 40 IICB Cc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 1098774 ZUVDSLWWQFEICG-KEBDBYFISA-N 433.439 4.055 10 40 IICB Cn1c(=O)n(CC(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)c2ccccc21 14348755 KLKHOXGTIVZVMQ-SANMLTNESA-N 437.499 4.105 10 40 IICB CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3nnc(CC)s3)C2=O)cc1 16872849 GAJQILBWPKIPTQ-NTCAYCPXSA-N 446.623 4.283 10 40 IICB CN(C)c1ccc([C@@H](CNC(=O)COc2ccccc2)N2CCc3ccccc3C2)cc1 35349247 MEGGCIOIZISROW-AREMUKBSSA-N 429.564 4.047 10 40 IICB Cc1cc(N2C(=O)N=C(O)/C(=C/c3ccc(C)c([N+](=O)[O-])c3)C2=O)ccc1Br 1211219 HJFDGOHQASQCGU-ZSOIEALJSA-N 444.241 4.481 10 40 IICB CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4OC)c3C)C(=O)N=C2S1 2372760 NTQUGQBBQHRFBW-AXPJIBDUSA-N 439.566 4.433 10 40 IICB CCOc1ccc(Nc2nc(Cl)nc(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 8444745 UOAKYFGDTSZLLF-UHFFFAOYSA-N 440.935 4.003 10 40 IICB aggregator CCOC(=O)c1[nH]c2ccccc2c1/C=C1/C(=O)N(CCc2ccc(F)cc2)C(=O)N=C1O 17042999 JGAFHXAQMLJZKB-QGOAFFKASA-N 449.438 4.029 10 40 IICB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ncccc2C)c1C 223061738 DUMFQMFCDCDSSU-FCHUYYIVSA-N 435.597 4.202 10 40 IICB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\Nc1cccc(C(F)(F)F)c1 408552420 TZPDKTVMQIGWKK-WQLSENKSSA-N 443.809 4.242 10 40 IICB CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(Cl)cc4)C3=O)o2)cc1 841382 IIOQAGZRAJGCPI-UYRXBGFRSA-N 436.851 4.238 10 40 IICB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1 8765581 BSHZYJGYBGYUJJ-PDGQHHTCSA-N 426.519 4.035 10 40 IICB COCCN1C(=O)/C(=C\c2nc(-c3ccc(C)cc3)nn2-c2ccccc2)SC1=S 27562518 CXGQNAWWPZLBJJ-NBVRZTHBSA-N 436.562 4.090 10 40 IICB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 408802029 YCYRJOCUTIIPEB-OVCLIPMQSA-N 449.290 4.457 10 40 IICB O=c1oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@H]43)c(O)ccc2c2c1CCC2 1614472210 PIRSVPJCSIYDMW-MFSGBWHHSA-N 446.591 4.382 10 40 IICB biogenic CCCCCOC(=O)CCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S 8819514 LMYCSQUYGWRTSI-JXAWBTAJSA-N 437.583 4.419 10 40 IICB COc1ccc(OC)c([C@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3O)CCCC5)=NN2)c1 12389118 QFJOZUNOFCTXGN-GOSISDBHSA-N 434.492 4.142 10 40 IICB CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)cc21 223256306 OIHZGRZEHUOWAA-DHIUTWEWSA-N 435.641 4.247 10 40 IICB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(Cc2ccccc2F)c1 408869896 SNXCSTZCZVWHPT-RCCKNPSSSA-N 430.435 4.092 10 40 IICB COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C(=O)NC2=S)cc1 6645256 UJGLZKOHYJQTRS-PDGQHHTCSA-N 438.892 4.440 10 40 IICB COc1ccc(C(=O)N2CCC[C@H](C(=O)NCc3ccc(N(C)C)cc3)C2)c2ccccc12 12563161 LRUAYHRAVYMNLY-FQEVSTJZSA-N 445.563 4.083 10 40 IICB CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]3ON2c2ccccc2)cc1 137901321 PHMDQFHXSRWGJF-RJGXRXQPSA-N 447.922 4.457 10 40 IICB CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)N2CCCCC2)cc1 6576857 QMTLNFNTCKJVJE-SKBVVQJISA-N 427.633 4.213 10 40 IICB CN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC1=S 9186718 BOGNQOVOBYHYNF-NTUHNPAUSA-N 425.285 4.448 10 40 IICB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccn1 223299886 COTREUNHWKPNTF-OFAXGOBFSA-N 433.581 4.036 10 40 IICB CCOc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)c1 408872084 KDXSYTRXRIAFAJ-WOJGMQOQSA-N 443.297 4.077 10 40 IICB CCN1C(=O)/C(=C\c2ccc(N3CCCCC3)o2)C(=O)N(c2ccc(Cl)cc2)C1=S 409013095 SPTSCIGSMCNFIZ-NBVRZTHBSA-N 443.956 4.487 10 40 IICB Cc1cc(C(=O)COC(=O)Cc2ccc(Cl)cc2)c(C)n1-c1ccc2c(c1)OCO2 13062631 LAFUERYCSUNHAK-UHFFFAOYSA-N 425.868 4.445 10 40 IICB COc1ccc(-n2nnnc2S[C@H](C)C(=O)c2cc(C)n(-c3ccccc3)c2C)cc1 13137212 HYHIXRAXEVNVSX-QGZVFWFLSA-N 433.537 4.442 10 40 IICB CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cccc(OCC)c1O 14406703 FJCZHFAGPJKMLS-HKWRFOASSA-N 437.492 4.457 10 40 IICB COc1ccccc1N1C(=O)CN(c2cccc(C)c2C)C(=O)[C@H]1c1ccc(N(C)C)cc1 15412213 LGDOGIUVEKTDQW-AREMUKBSSA-N 443.547 4.499 10 40 IICB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)c1 18084155 VVTKWUUSERNDRC-HJOGWXRNSA-N 427.504 4.112 10 40 IICB COc1ccc(-n2cccc2/C=C2\C(=O)N(Cc3ccco3)C(=O)N=C2O)cc1Cl 32964026 HYGZENVSUFMBSO-YBEGLDIGSA-N 425.828 4.235 10 40 IICB COc1cc2c(cc1S(=O)(=O)NCc1ccc(N3CCC[C@H](C)C3)cc1)CCCC2 260769774 RCKRFDGDUFOLBH-SFHVURJKSA-N 428.598 4.289 10 40 IICB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3c(OC)ccc4ccccc34)C2=O)cc1 408894210 BQYPOLTZGGTPIJ-QNGOZBTKSA-N 430.460 4.304 10 40 IICB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](c2cc(Cl)cc(OC)c2O)N3)C1 8921389 QEEPNMMTEFPSTA-INIZCTEOSA-N 437.905 4.059 10 40 IICB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N1CCc2ccccc2C1 9633678 GAOVQHMQNFMHKR-UHFFFAOYSA-N 435.549 4.018 10 40 IICB CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)Nc3ncnn32)cc1 35507556 YIIAAECUVYNKQA-JOCHJYFZSA-N 432.528 4.061 10 40 IICB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 41078366 QVWFWGUEWLLGRZ-YMAFSPHPSA-N 448.435 4.023 10 40 IICB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccccc1Cl 59435768 MAADCEFXAYFTNV-JXAWBTAJSA-N 441.911 4.273 10 40 IICB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccccn1 223487780 QLODIKZTZNSTDB-DNQXCXABSA-N 440.576 4.452 10 40 IICB O=C(c1ccc(NC(=S)NCCCN2CCCc3ccccc32)cc1)N1CCCCC1 225746980 SMHGOOXEIKFIPU-UHFFFAOYSA-N 436.625 4.442 10 40 IICB CSc1nnc2c(n1)O[C@@H](c1ccc(N(C)C)cc1)N(C(C)=O)c1ccc(Cl)cc1-2 684874 SMFIKXKDNWZDFL-FQEVSTJZSA-N 441.944 4.424 10 40 IICB Cc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(C)C1=O 8861542 DUFPWCBFRMPZFG-LDADJPATSA-N 430.507 4.192 10 40 IICB Cc1cc(C(=O)COC(=O)Cc2coc3cc(O)ccc23)c(C)n1-c1ccc2c(c1)OCO2 9285575 HPQAHDDZEVOOCU-UHFFFAOYSA-N 447.443 4.243 10 40 IICB Cc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1ccccc1 9465992 IWHJBHIJLRIJHU-IEHORWCKSA-N 426.505 4.157 10 40 IICB Cc1ccccc1OCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 17136049 IZWMJCNNOZTCDP-AREMUKBSSA-N 443.591 4.356 10 40 IICB COc1ccc(-c2ccc(/C=C3\C(=O)N(c4cccc(C(=O)O)c4)N=C3C)o2)c([N+](=O)[O-])c1 59639164 YIZVJJCNRKYIRZ-ODLFYWEKSA-N 447.403 4.368 10 40 IICB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC 9262704 UGYAXVWQMBJZHI-VVBXCHJUSA-N 444.940 4.357 10 40 IICB COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NC[C@@H]2CCCO2)cc1 19647716 YWYVEMBZYCRXLA-IGCAKMCNSA-N 448.548 4.098 10 40 IICB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1 108253657 BGUMKZVPJWHYND-XDHOZWIPSA-N 436.851 4.174 10 40 IICB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccccn1 260910248 COTREUNHWKPNTF-YFXJRYMSSA-N 433.581 4.036 10 40 IICB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OCC 408808543 QCDFDJNHMAWSTN-LFIBNONCSA-N 428.872 4.194 10 40 IICB CCOC(=O)COc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OC 409216616 JZDKWJPTWRYQIM-VCHYOVAHSA-N 447.509 4.182 10 40 IICB CCCOc1ccc(-c2nc3s/c(=C\c4ccc(N(CC)CC)cc4)c(=O)n3n2)cc1 1806319 IRGVFBXSFGOXPN-PGMHBOJBSA-N 434.565 4.001 10 40 IICB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c(C)n1-c1ccc(Cl)cc1 2647293 LZIQWVUWFSFFHW-RUZDIDTESA-N 447.922 4.324 10 40 IICB CC[C@H](C)Oc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1OC 33383371 QVLRZCHGIOOJNY-HNEYUBDGSA-N 445.313 4.096 10 40 IICB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OC(=O)c1ccc(Cl)cc1 41078430 RPQRHHXPDZRNHJ-HCNNPVLLSA-N 437.839 4.018 10 40 IICB CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCO)cc21 260925517 UYGMVXZOQAFYJN-LEWJYISDSA-N 443.016 4.332 10 40 IICB CC[C@H](C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 408902811 LNUJZROMTNGITR-VLURKWGBSA-N 443.297 4.293 10 40 IICB O=C1NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1cc(Cl)ccc1O 408938235 PMQVGQUWMWMVNX-WDZFZDKYSA-N 445.180 4.384 10 40 IICB CC(/C=C1\SC(=S)N(NC(=O)c2cccc([N+](=O)[O-])c2)C1=O)=C\c1ccccc1 8763547 BBFSIEPNQMJCNX-NEOBQEPSSA-N 425.491 4.087 10 40 IICB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3OCC)C2=O)cc1 8819082 YPSPBDYBWDKXBR-UYRXBGFRSA-N 442.562 4.324 10 40 IICB CN(C)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1 10386562 FPYXVYPEPKROMH-BOPFTXTBSA-N 449.454 4.446 10 40 IICB CCN(c1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1)S(C)(=O)=O 218781274 IMVWUBYTAREEIN-MOPGFXCFSA-N 443.613 4.200 10 40 IICB Cc1cc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccc1-c1ccncc1 1625286880 APWVNSBXPAJZBL-NRFANRHFSA-N 443.551 4.080 10 40 IICB COc1cc(/C=C2\SC(Nc3ccc(C)c(Cl)c3)=NC2=O)ccc1OCC(=O)O 4018905 NINWTAVUODJDPO-IUXPMGMMSA-N 432.885 4.203 10 40 IICB COc1ccc(OC)c(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c1 8821242 VXXQMRZUICEEEW-MOSHPQCFSA-N 445.562 4.165 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1OCc1cccc2ccccc12 408912811 SDAANMNIDBANNZ-DEDYPNTBSA-N 446.528 4.074 10 40 IICB COc1cccc(NC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1OC 35597226 SXYRNPNPVMKYAQ-QFIPXVFZSA-N 438.572 4.045 10 40 IICB Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)c2C)c1 223620831 BFVHYNAKOYNGHR-BJKOFHAPSA-N 434.609 4.461 10 40 IICB CCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCCC4)C3=O)c2C)cc1 408550545 HSPPYMMARFYLLJ-KGENOOAVSA-N 437.565 4.315 10 40 IICB CCc1cccc2c(/C=C3\SC(=S)N(CC)C3=O)cn(CC(=O)NC3CCCC3)c12 409127826 RRHANSSHPMXVSN-UNOMPAQXSA-N 441.622 4.484 10 40 IICB Cc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(c3ccccc3)CC2)cc1 17040928 LPXIAEXRLUQDSZ-MHZLTWQESA-N 442.607 4.354 10 40 IICB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C 222810142 QSIDJFJWXFKVIO-YADHBBJMSA-N 434.565 4.268 10 40 IICB Cc1cccnc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C 223315727 TVTGSJXVLPYDJG-WWPVKYPJSA-N 447.608 4.344 10 40 IICB CSc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1NC(C)=O 225628605 NHMNKOZRQIHTEN-UHFFFAOYSA-N 440.546 4.399 10 40 IICB CCCN1CCN(Cc2ccccc2O)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O 585183658 ZWSUKDPLAYFJBY-XMMPIXPASA-N 429.564 4.367 10 40 IICB COCCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)cc3C)c2C)C(C(=O)OC)=C1C 2053967 CIVVLXOLYOVAAF-JCMHNJIXSA-N 436.552 4.420 10 40 IICB COc1cc(/C=C2/SC(N3CCOCC3)=NC2=O)ccc1OCc1ccccc1Cl 8820720 RYJYYBQKUGCVKL-DEDYPNTBSA-N 444.940 4.230 10 40 IICB COc1ccc(-c2ccc(CCC(=O)O)n2CC(=O)Nc2ccc(OC)c(Cl)c2)cc1 9094827 XKFWIBNAIVQYPI-UHFFFAOYSA-N 442.899 4.482 10 40 IICB COc1ccc(N2CCN(c3ncc4c(n3)C[C@@H](c3ccc(Cl)cc3)CC4=O)CC2)cc1 10156615 YTNLPYYRSGVNQO-GOSISDBHSA-N 448.954 4.378 10 40 IICB COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1cccc(OC)c1OC 14413768 HEEXDQYRQPROAZ-GDNBJRDFSA-N 431.847 4.374 10 40 IICB COc1ccc([C@@H](c2ccc3c(ccc4c(C)cc(=O)oc43)c2O)N2CCN(C)CC2)cc1 22936641 BVVQKWQUXFVHKM-VWLOTQADSA-N 444.531 4.306 10 40 IICB CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(=O)c3ccccc3)ccc21 225698234 IFDZOHKRTQUCHQ-UHFFFAOYSA-N 438.530 4.115 10 40 IICB COc1cc(N2C(=O)NC(=O)/C(=C\c3cccc4ccccc34)C2=O)c(OC)cc1Cl 408783806 NCSSSZOEPYADHF-MHWRWJLKSA-N 436.851 4.177 10 40 IICB COc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 409045202 FVXWQIQUUYOZGX-NTUHNPAUSA-N 425.655 4.322 10 40 IICB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)c2ccccc12 409172179 CQADATVRNBRTJL-NBVRZTHBSA-N 432.501 4.078 10 40 IICB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 409338666 NZKLUDPHSJIKKD-UNOMPAQXSA-N 442.562 4.242 10 40 IICB CCN1C(=O)/C(=C/c2cc(Br)c(OC)c(Br)c2)SC1=S 1065289 FBJBHCOQZQLEDN-POHAHGRESA-N 437.178 4.441 10 40 IICB COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)SC2=S)c(OC)c1 8821593 QTZHZBMDGHMJLB-ZDLGFXPLSA-N 447.534 4.135 10 40 IICB Cc1cc(C(=O)COc2cccnc2[N+](=O)[O-])c(C)n1-c1ccc(Br)cc1 9714497 ALBKPPSPMZFIGJ-UHFFFAOYSA-N 430.258 4.422 10 40 IICB Cc1cccc(COc2cc(N(C)C)ccc2/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 107604107 CELRWFZVWZOBKG-HAHDFKILSA-N 427.504 4.101 10 40 IICB Cn1c(=O)n(C)c2cc(/C=C3/SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)ccc21 409177110 ATTLCVCKHKDLMA-LZYBPNLTSA-N 433.917 4.075 10 40 IICB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/NC1=CC=C[C@@H]2C(=O)c3ccccc3C(=O)[C@@H]12 101128759 AAUDKFJWTSXTGY-KLLAKBQWSA-N 437.499 4.265 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Cl)c3O)C2=O)cc1C 408846578 OFTPHSJLISOWIX-AUWJEWJLSA-N 449.688 4.091 10 40 IICB CC[C@@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cccc1OC 409137708 YLNFUBQVFQGADO-COYFKBPASA-N 438.549 4.321 10 40 IICB O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)NCCc1c[nH]c2ccccc12 13572687 GJRJBCRHEGXBFX-UYRXBGFRSA-N 439.562 4.101 10 40 IICB COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1O 14414336 TXBUDJUGKXPGHT-AQTBWJFISA-N 442.309 4.070 10 40 IICB COc1ccc(/C=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c(OC)c1 102828037 ZCOMHGGFCGFOJS-UDWIEESQSA-N 445.562 4.165 10 40 IICB CC[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 225847170 KQTSQWPTRVMTJQ-HSZRJFAPSA-N 445.629 4.011 10 40 IICB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1cccc(OCc2ccc(Cl)cc2)c1 408935883 IOCYOCLBLAANFN-BKUYFWCQSA-N 448.862 4.291 10 40 IICB CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3F)C(=O)NC2=S)cc1 409369540 CPEWTGCQYSJCPL-XSFVSMFZSA-N 437.540 4.210 10 40 IICB COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 8872603 URRGNTSZOLHAEN-BOPFTXTBSA-N 441.867 4.012 10 40 IICB Cc1ccc(OCCCOc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2)cc1 13943964 LFNOYHLDMLLSKM-MOHJPFBDSA-N 428.488 4.304 10 40 IICB CCOc1ccc2ccccc2c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCOCC1 22664759 MWXIZNVJLIHFSW-XMMPIXPASA-N 447.579 4.108 10 40 IICB COC(=O)C1=CN(c2ccc(OCc3ccccc3)cc2)c2cc(F)ccc2S1(=O)=O 64979196 FMDDSCFIMKFKJD-UHFFFAOYSA-N 439.464 4.345 10 40 IICB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc(N4CCCC4)cc3)c2)c1 106159291 SBPOAVUYJHTWSB-UHFFFAOYSA-N 449.576 4.326 10 40 IICB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 654615 NLDUHQJCATUCEO-HMAPJEAMSA-N 448.519 4.033 10 40 IICB O=S(=O)(Nc1cc(Br)c(O)c(Br)c1)c1ccc(Cl)cc1 851476 SIKVJHPMHRHRAD-UHFFFAOYSA-N 441.528 4.371 10 40 IICB COc1cc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)ccc1OCc1ccccc1 13577240 FUVXINPWYXHASM-NDENLUEZSA-N 434.879 4.389 10 40 IICB COc1ccc(-c2ccc(/C=C3/C(=O)N(c4ccccc4)C(=O)N=C3O)o2)c([N+](=O)[O-])c1 14010779 ZUGPTMVXWQXDAH-GZTJUZNOSA-N 433.376 4.370 10 40 IICB COc1cc(Oc2ccccc2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 225951416 UKAFTYSGIFUQCD-UHFFFAOYSA-N 435.553 4.364 10 40 IICB O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1 409103161 BEYWWNXWTOABGH-JLHYYAGUSA-N 448.281 4.399 10 40 IICB CCOc1ccc(Br)cc1C[C@@H]1SC(=S)N(Cc2ccco2)C1=O 409143390 DXADSVKVZUYVLF-HNNXBMFYSA-N 426.357 4.412 10 40 IICB CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(N)=O 409209151 GJOIMSLBXGUSMT-LICLKQGHSA-N 448.953 4.009 10 40 IICB CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccccc1F 1082556 GBMINMYPBGHZFG-VCHYOVAHSA-N 447.509 4.089 10 40 IICB C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S 2375113 VNJRMAWKUKKZSC-JNNKLVPLSA-N 438.324 4.383 10 40 IICB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1OC 8819374 YXUXFMRKSPOJFJ-YVLHZVERSA-N 448.953 4.197 10 40 IICB COc1ccc(Cl)cc1-n1cccc1/C=C1/C(=N)N2N=C(C(C)C)SC2=NC1=O 41083188 ARLJTUYZUTXUGK-HUMIGVHUSA-N 427.917 4.414 10 40 IICB CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)c2C)cc1 223615864 OGODRHLPVZHSEC-DNQXCXABSA-N 434.609 4.406 10 40 IICB CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O 408813602 YANWPJCHQPZPEP-LFIBNONCSA-N 443.297 4.131 10 40 IICB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccc(F)cc1 408865411 AQYKDYNDJNAZAI-ZHZULCJRSA-N 432.476 4.236 10 40 IICB COC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4cccc(C)c4)C3=O)c2C)c1 409220736 FCIRKMWGLMVLDG-OEAKJJBVSA-N 443.503 4.282 10 40 IICB COC(=O)c1ccc(-n2c(C)cc(-c3csc(NC(=O)c4cnc(C)cn4)n3)c2C)cc1 9130814 WVSKDVXGNGMEBP-UHFFFAOYSA-N 447.520 4.355 10 40 IICB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 35169031 XDRMSYZXVSIBLZ-PZLPMSIKSA-N 433.504 4.117 10 40 IICB COc1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)cc1OC 85878916 LRMFIODSCMFBRN-UHFFFAOYSA-N 435.436 4.300 10 40 IICB biogenic Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 408996061 NWQXKKAUPACSDP-UHFFFAOYSA-N 443.547 4.311 10 40 IICB C[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N1c2cccc3cccc(c23)S1(=O)=O 10113198 DKMBGCPMMXLIGI-GOSISDBHSA-N 449.576 4.044 10 40 IICB COC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CC[C@@H](C(C)(C)C)C2 34772753 AOFOZLCGOQZXJB-IJNPPISZSA-N 433.570 4.371 10 40 IICB C[C@@H](NC(=O)N1CCC(CCc2ccc(O)cc2)CC1)c1ccc(N2CCOCC2)cc1 58232124 NFKKLKBZVQORHE-HXUWFJFHSA-N 437.584 4.344 10 40 IICB COc1cc(/C=C2\SC(Nc3cccc(C)c3C)=NC2=O)ccc1O[C@@H](C)C(=O)O 210934585 JCOAAAXGCNJHMG-KVMVOAJRSA-N 426.494 4.246 10 40 IICB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1O 223310462 LJMSHESNMDDLKS-NWVWQQAFSA-N 448.592 4.346 10 40 IICB C[C@H]1CCCN(c2ccc([C@@H](C)NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)C1 260577635 GAPJOIUEBODHSU-RBUKOAKNSA-N 441.597 4.089 10 40 IICB CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\Nc1ccc2nc(O)[nH]c2c1 408532877 RKLQDRCWZCSVFV-ZROIWOOFSA-N 426.274 4.058 10 40 IICB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccccc4)c3)C2=O)cc1 408934222 CZYORGQRCZYPPZ-KQWNVCNZSA-N 442.471 4.331 10 40 IICB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)c2C)cc1Cl 409062917 CXKYYOZEXCKETH-XDHOZWIPSA-N 449.894 4.423 10 40 IICB CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)c2C)cc1 409186770 HQPRJKBAYQBWTJ-LPYMAVHISA-N 447.466 4.298 10 40 IICB COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cc(OC)ccc1OC 13940096 WTJWZOJBNPGHHG-BOPFTXTBSA-N 443.883 4.243 10 40 IICB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)C2=O)cc1 208198388 XNPTUJRMXISKMP-NPRIEWAGSA-N 433.508 4.084 10 40 IICB C[C@H](NC(=S)Nc1ccc(Br)cc1F)c1ccc(N2CCOCC2)cc1 225838807 DLAUBQPOZQIEJZ-ZDUSSCGKSA-N 438.366 4.472 10 40 IICB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cc(Br)ccc1O 408586746 PDIYXUDIMUMDEV-BOPFTXTBSA-N 428.282 4.340 10 40 IICB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4C)o3)C2=O)c1 408780582 FLSHTDFCHCJLAC-UDWIEESQSA-N 444.443 4.236 10 40 IICB CCCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 408814749 SCQLYDNUHNCZCU-XSFVSMFZSA-N 445.431 4.203 10 40 IICB CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)OC 409348464 SUJWYKQHQACIAE-UNOMPAQXSA-N 443.546 4.351 10 40 IICB CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)SC1=S 409383119 RRUGJWNJVIMFEY-WQRHYEAKSA-N 446.525 4.073 10 40 IICB COc1cccc(N2C(=O)C(=Cc3ccsc3)C(=O)N(c3cccc(OC)c3)C2=O)c1 2532788 NHMIYCLYRPKCAZ-UHFFFAOYSA-N 434.473 4.349 10 40 IICB COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)O 9188667 INJLIPSNLTZWDJ-NCUBORBFSA-N 429.519 4.121 10 40 IICB Cc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(c3ccccc3)CC2)c1 22665471 AKCCATAOUSHGRP-MHZLTWQESA-N 442.607 4.354 10 40 IICB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)cc1 33659280 YWWDVOCBCGBXCZ-XNTDXEJSSA-N 449.351 4.004 10 40 IICB COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccccc1Cl 33704016 VSGYYQSNNHGHGR-XMHGGMMESA-N 434.879 4.389 10 40 IICB O=C(O)c1c(O)c(/N=N\c2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc2ccccc12 104123592 LLOHGIZSOJHHLC-IZHYLOQSSA-N 449.448 4.250 10 40 IICB CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2ccccc2C)SC1=S 256055367 DNBUDZANCZEBJK-GXYBQNOFSA-N 426.563 4.283 10 40 IICB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4F)cc3)C2=O)cc1 408885366 ZZDRNELPXAVXPM-CJLVFECKSA-N 444.462 4.482 10 40 IICB COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OC(C)=O 409030659 DYDGFLBIYAVNDZ-IZZDOVSWSA-N 440.324 4.122 10 40 IICB CCc1cc(=O)oc2c(CN(CCCOC)C[C@@H]3CCCN4CCCC[C@H]34)c(O)ccc12 524730058 TYHDYQQWUXVKAV-NZQKXSOJSA-N 442.600 4.164 10 40 IICB biogenic CCOc1cc(/C=C2\C(=O)N(CC)C(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OC 409019623 ZYYPVWHCJDADBB-SFQUDFHCSA-N 444.940 4.311 10 40 IICB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)cc1 9425295 CELZECPHYQQABU-HMAPJEAMSA-N 447.466 4.298 10 40 IICB Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1O 13554255 NPULGNPAIZDACZ-PDGQHHTCSA-N 435.867 4.120 10 40 IICB CC(C)c1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCCC[C@H]3CCO)C2=O)cc1 13573853 QEUNXIXALCYEBK-RVPSJEOCSA-N 446.638 4.165 10 40 IICB O=C(Nc1cccc(OC[C@H]2CCCO2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 69592539 ZUOYWVJTGOCIAH-FCHUYYIVSA-N 426.513 4.163 10 40 IICB CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1 408771606 JROSGQDAQDYCBG-NTEUORMPSA-N 437.805 4.091 10 40 IICB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1Br 408819900 YYBLPHUPBBHILE-XNTDXEJSSA-N 443.297 4.131 10 40 IICB COc1ccccc1N1C(=O)/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C(=O)N=C1O 2195793 YWPPFFYWZFCOID-UYRXBGFRSA-N 433.439 4.113 10 40 IICB CCc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1 8871661 DFYQWNZJFAJQAF-AQTBWJFISA-N 441.534 4.387 10 40 IICB COc1ccccc1N1CC(=O)N(c2ccccc2F)[C@H](c2ccc(N(C)C)cc2)C1=O 9129948 DXVURLXTNOVNSS-XMMPIXPASA-N 433.483 4.021 10 40 IICB O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc2oc(=O)ccc2c1 9215966 KGJOOUWJDGVCQD-WJDWOHSUSA-N 442.543 4.085 10 40 IICB CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)c2C)cc1 223616009 OGODRHLPVZHSEC-ZEQRLZLVSA-N 434.609 4.406 10 40 IICB COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 408998807 SGFKMJYEHBCPRP-VUFYJBQKSA-N 437.492 4.146 10 40 IICB C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2ccccc2)SC1=S 9215793 RTIAZHYTOJDMRG-CTFRJJSNSA-N 435.574 4.117 10 40 IICB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 59959163 XGWQVIHKJVZQJZ-SXGWCWSVSA-N 428.828 4.134 10 40 IICB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccccn1 223487832 QLODIKZTZNSTDB-RPWUZVMVSA-N 440.576 4.452 10 40 IICB CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)c(OCC)c1 409338271 GXUPGKCMOYIUFG-MHWRWJLKSA-N 434.564 4.092 10 40 IICB Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(N5CCCC5)SC4=NC3=O)c2C)c1 41085141 MTMVBGOIJKQNEK-RYEIUNSYSA-N 432.553 4.075 10 40 IICB CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C(=O)OC(C)C)C1 225774778 OUQDCSTZHCGKIT-ZVPUSRDESA-N 431.554 4.290 10 40 IICB O=c1oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@H]43)c(O)ccc2c2c1CCC2 1614472209 PIRSVPJCSIYDMW-LATDSGLCSA-N 446.591 4.382 10 40 IICB biogenic Cc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)NC2=S)c1 9424367 MHPNWXCWIYCGBB-BKUYFWCQSA-N 433.508 4.373 10 40 IICB COc1ccc(CN(Cc2ccncc2)Cc2ccc(N3CCOCC3)cc2OC)cc1 13570273 LWECKJYBGOTYAC-UHFFFAOYSA-N 433.552 4.138 10 40 IICB COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccc(F)cc1 32111772 VLZOSASOKZOFAT-RQZCQDPDSA-N 434.876 4.173 10 40 IICB CN(Cc1ccc(Cl)s1)Cc1c(O)c(C(=O)N2CCOCC2)cc2ccccc12 58157563 JHHNURIXPMCARP-UHFFFAOYSA-N 430.957 4.365 10 40 IICB COc1ccc(N2CCN(Cn3nc(-c4ccco4)n(-c4ccccc4)c3=S)CC2)cc1 58161300 JPKUKMWQXHCWKJ-UHFFFAOYSA-N 447.564 4.452 10 40 IICB COc1c(Cl)cc(Br)cc1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O 409079887 CBIUYGCEGWHBQZ-PZHUPROXSA-N 448.791 4.491 10 40 IICB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OC(C)C 409407632 NCEJXTYAZCTIAT-YBEGLDIGSA-N 445.313 4.096 10 40 IICB O=C(NN1C(=O)/C(=C/c2cccs2)SC1=S)c1ccccc1Br 970088 BFNFEKPMJDRHPD-WQLSENKSSA-N 425.354 4.057 10 40 IICB CCc1nnc(NC(=O)CCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)s1 8820517 LYHOGNPFXIRROQ-RCTBWUFCSA-N 444.607 4.277 10 40 IICB COc1ccc(/C=C2\SC(=S)N(c3cccc(C(C)=O)c3)C2=O)c(OC)c1OC 8821587 WYWFQZCEOGODHC-BOPFTXTBSA-N 429.519 4.321 10 40 IICB O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1cccc2nonc12 9348452 UFJQBGIBSIEBLS-GDNBJRDFSA-N 444.925 4.106 10 40 IICB Cc1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2)CC1 17135850 LPIVCMYCLCIORP-MHZLTWQESA-N 442.607 4.354 10 40 IICB O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1ccc(N2CCOCC2)cc1 216356807 ABBNKNMDUPENNZ-UHFFFAOYSA-N 425.381 4.380 10 40 IICB COc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O 2265515 QZEZLPRTRNUMPL-XSFVSMFZSA-N 429.476 4.078 10 40 IICB CCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4cccc(C)c4)cc3)C(=O)N=C2S1 9309955 WXOPVHVPRGMKMX-ANDFITQPSA-N 434.521 4.482 10 40 IICB C[C@@H](C(=O)Nc1ccc2oc(=O)ccc2c1)N1C(=O)/C(=C\c2ccccc2)SC1=S 9430261 NZHKEBGQYPZAGL-FHXOWUIVSA-N 436.514 4.021 10 40 IICB CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCOc1cccc(OC)c1 13892754 JCVHOZVJHOVZRV-DEDYPNTBSA-N 445.562 4.383 10 40 IICB CNC(=O)CCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(Cl)cc32)CC1 608277 WXFFTUKVTRHPLQ-SWNXQHNESA-N 442.028 4.380 10 40 IICB in-man CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)C(C(=O)OC)=C2C)cc1 638436 WVDAGLQRGDBZAU-UYRXBGFRSA-N 425.868 4.394 10 40 IICB CCOC(=O)c1[nH]c2ccccc2c1/C=C1/C(=O)N(c2ccc(F)cc2)C(=S)N=C1O 2283724 FPYRWCFSAJVQGG-LFIBNONCSA-N 437.452 4.155 10 40 IICB CC(/C=C1\SC(=S)N(CCCC(=O)Nc2nnc(C)s2)C1=O)=C\c1ccccc1 8820585 OJSNTJVBRKJYFC-DXHZZVMKSA-N 444.607 4.413 10 40 IICB COc1ccc(/C=C2/SC(=S)N(c3cccc(C(C)=O)c3)C2=O)c(OC)c1OC 35040683 WYWFQZCEOGODHC-GZTJUZNOSA-N 429.519 4.321 10 40 IICB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccc(F)c1 223267244 CZFPLGOBVOGGPS-XZOQPEGZSA-N 437.588 4.162 10 40 IICB CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c1C 408968643 YDOCWSKPPUPURN-RCCKNPSSSA-N 429.545 4.488 10 40 IICB CCN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)NC1=S 409008024 URPMYPAUUORCIX-YBEGLDIGSA-N 435.318 4.245 10 40 IICB CCOC(=O)COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OC 409211276 LJVHRYPCLYPYCZ-UNOMPAQXSA-N 443.546 4.351 10 40 IICB CCc1ccccc1NC1=NC(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)S1 8821927 AHBMTQAHCUQQTC-NXVVXOECSA-N 428.311 4.416 10 40 IICB O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 10112162 YRAMOUHAMVKKAI-UHFFFAOYSA-N 435.549 4.018 10 40 IICB CC(C)(C)c1ccc(/C=C2\SC(=S)N(CCC(=O)NCc3ccco3)C2=O)cc1 27020272 MCYBODDICQUAPJ-AQTBWJFISA-N 428.579 4.485 10 40 IICB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 58866019 WYXNVADNWXDTSA-UHFFFAOYSA-N 440.364 4.049 10 40 IICB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl 408781166 AOCRHNOXWUFYOF-WDZFZDKYSA-N 425.655 4.322 10 40 IICB COCCN1C(=O)/C(=C/c2cccn2-c2ccc(C)c(C)c2)C(=O)N(c2ccccc2)C1=O 409021171 YOLBHZIHDZEPIK-QJOMJCCJSA-N 443.503 4.119 10 40 IICB COC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc1 409329360 FAGDVBBOQNDPJM-YVLHZVERSA-N 431.560 4.366 10 40 IICB O=C(NN1C(=O)/C(=C/c2cc(Cl)c(O)c(Cl)c2)SC1=S)c1cccs1 409350860 YXBABFCFFSFJKZ-WDZFZDKYSA-N 431.347 4.307 10 40 IICB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2Cl)c([N+](=O)[O-])c1 33746561 JQSGFJIOQZMBFR-PDGQHHTCSA-N 449.850 4.289 10 40 IICB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccccc1Br 107867361 UEBGOMLDIWKDIJ-WJDWOHSUSA-N 443.253 4.235 10 40 IICB COc1cccc(CN/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)c1 112291498 QIBQDDIJKYFKCG-QJOMJCCJSA-N 442.475 4.418 10 40 IICB CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc1OC 409347448 QAPARZDCYWOQBH-ZSAINHDTSA-N 448.591 4.480 10 40 IICB Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(N(C)C)cc1 3659394 UARIJRRZOBTIAI-UCQKPKSFSA-N 432.499 4.392 10 40 IICB Cc1nnc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)s1 8432981 XMWHCCDUURLXPW-UKTHLTGXSA-N 438.987 4.120 10 40 IICB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3nc(C)cs3)C2=O)c1 8819200 HVZIRDAKUXULTC-GDNBJRDFSA-N 433.580 4.080 10 40 IICB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCCOc3ccccc3)C2=O)c1 8842990 LFURPYXEGPXQPH-XLNRJJMWSA-N 442.471 4.119 10 40 IICB Cc1ccc(-n2c(C)cc(C(=O)CSc3nc(O)cc(=O)n3CC(C)C)c2C)cc1 13063439 WWZJVQZTBFWCFP-UHFFFAOYSA-N 425.554 4.296 10 40 IICB CC[C@@H](C)Oc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC 408902597 KVTQSRSJKSBSNS-GFQQVXNGSA-N 446.862 4.331 10 40 IICB COc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 409232231 PFKDNPPXYQELBU-RIYZIHGNSA-N 440.830 4.199 10 40 IICB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc(Br)cc1 8820261 LQKUEPCTPIUZMP-GXDHUFHOSA-N 437.340 4.272 10 40 IICB Cc1ccc(N2C(=O)C[C@H](N3C(=O)/C(=C\c4ccc(Cl)cc4)SC3=S)C2=O)cc1 20502249 LQYKGZNJNUAIKR-KFXAOSDLSA-N 442.949 4.182 10 40 IICB CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1OCC(=O)O 16688957 MSOKJHDGKOVRKE-ODLFYWEKSA-N 443.546 4.259 10 40 IICB Cc1ccccc1N1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)SC1=S 409346940 OVQGIDOPVPJVPX-UYRXBGFRSA-N 441.534 4.146 10 40 IICB Cc1cc(-n2c(C)cc(/C=C3\SC(=O)NC3=O)c2C)ccc1I 1176109 HTOASFOEDCGLHJ-NVNXTCNLSA-N 438.290 4.331 10 40 IICB COc1ccc(/C=C2/SC(=O)N(CCC(=O)Nc3ccc(C(=O)O)cc3)C2=S)cc1 1800010 LHRHGXUZCIVCHT-SFQUDFHCSA-N 442.518 4.259 10 40 IICB CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(O)c(O)c3)c3ccccc3C2=O)cc1 34771538 FBTLHEBDSRNSID-DEDYPNTBSA-N 429.428 4.002 10 40 IICB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(Cl)cc1 223577147 UEGAMSIKVLYMPU-LEWJYISDSA-N 426.973 4.107 10 40 IICB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OC(C)C 408811722 KPTFYDPIDPVHOQ-MDWZMJQESA-N 449.290 4.456 10 40 IICB COc1cccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c1OCC(=O)O 409338239 GKHSSZGINMKPBV-NVNXTCNLSA-N 435.910 4.218 10 40 IICB CCc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)NC2=S)cc1 409369711 FDJYQCOYMPURKP-UYRXBGFRSA-N 446.484 4.039 10 40 IICB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 409392429 MNLQLKXXYFXRPJ-HYARGMPZSA-N 428.492 4.279 10 40 IICB COC(=O)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21 9282712 RFAJRKWQTJNEBK-KMDXXIMOSA-N 435.479 4.293 10 40 IICB COc1ccc(C(=O)N2CCC[C@@H](C(=O)NCc3ccc(N(C)C)cc3)C2)c2ccccc12 12563159 LRUAYHRAVYMNLY-HXUWFJFHSA-N 445.563 4.083 10 40 IICB COc1ccc(N2CCN([C@@H](C)C(=O)N(Cc3ccccc3)Cc3ccccc3)CC2)cc1 12630802 AKDHCFUHLPSKAA-QHCPKHFHSA-N 443.591 4.435 10 40 IICB Cc1cc(C(=O)OCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)c(C)n1-c1ccc(F)cc1 13098233 NAQUIQGBILNAOV-UHFFFAOYSA-N 446.381 4.350 10 40 IICB O=S(=O)(c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1)N1CCOCC1 18173166 PZYXUOKZHZFZJV-DXIQSLLYSA-N 430.957 4.187 10 40 IICB Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccc(N(C)C)cc3)[C@H]2C1=O 102711809 MTHKDCZYNZGXGA-WXFUMESZSA-N 427.504 4.112 10 40 IICB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1 223940592 JOFCVVVUXRAGGD-UHFFFAOYSA-N 449.576 4.326 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(Br)c(Cl)c3)C2=O)cc1C 408533732 OWNKXKWQMHYRRK-NTEUORMPSA-N 448.704 4.298 10 40 IICB COc1ccccc1/C=C1/SC(=S)N(C(=O)c2ccccc2Br)C1=O 408718960 CQFHNISZIXOPIU-XNTDXEJSSA-N 434.336 4.499 10 40 IICB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cccn1-c1cccc(C(F)(F)F)c1 408931488 MGQOMNFARFGLNT-QGOAFFKASA-N 441.434 4.327 10 40 IICB COc1ccc(N2CCOCC2)c(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 20528774 DETTWCZBOTXQNN-DHZHZOJOSA-N 449.463 4.352 10 40 IICB Cc1ccnc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)c1 223315667 QDZQMMTZOUETNQ-IGKWTDBASA-N 447.608 4.344 10 40 IICB CC[C@@H](C)Oc1c(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cccc1OC 408897908 JOESTPAUZSUQBC-LVLBFHFTSA-N 428.872 4.192 10 40 IICB CCCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O 409046450 KSBFNQUSLWVKSZ-OQLLNIDSSA-N 435.263 4.154 10 40 IICB COc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)c2ccccc12 409343409 GPUUUBSUORTVLD-GZTJUZNOSA-N 426.544 4.456 10 40 IICB COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccccc1Cl 14671570 YQJKLHKSEXGWOT-MFOYZWKCSA-N 449.937 4.213 10 40 IICB CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)NCc2ccco2)cc1 16009686 FYROFDDOQGUHHL-AYRHNUGRSA-N 439.600 4.110 10 40 IICB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C)C3=O)c(N[C@@H](C)c3ccccc3)nc12 16732724 ZMLFJDIBEMEMGQ-VMOJBDSFSA-N 436.562 4.007 10 40 IICB COC(=O)c1[nH]c2ccc(F)cc2c1/C=C1\SC(=S)N(Cc2ccccc2)C1=O 54361159 HIJVAZTUPPBCSN-YVLHZVERSA-N 426.494 4.495 10 40 IICB Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc(N(C)C)cc3)[C@H]2C1=O 100799190 MTHKDCZYNZGXGA-SGNDLWITSA-N 427.504 4.112 10 40 IICB CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\Nc1cc([N+](=O)[O-])ccc1O 408526499 CGAGHLUYGFPFQY-ZROIWOOFSA-N 431.246 4.090 10 40 IICB Cc1cc2nc(N/C=C3\C(=O)NC(=O)N(c4cccc5ccccc45)C3=O)sc2cc1C 408529039 GUKBDRZSRNSJNB-SFQUDFHCSA-N 442.500 4.645 10 40 IICB O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(O)c(Cl)c1 408772831 RREDYDIQDYGDNC-RMKNXTFCSA-N 427.696 4.184 10 40 IICB COc1ccc2c3c(n(C[C@@H](c4ccco4)N(C)C)c(=O)c2c1OC)-c1ccccc1C3=O 604405651 UBWOFBQXAFQWIM-SFHVURJKSA-N 444.487 4.126 10 40 IICB biogenic COc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(SC)SC3=NC2=O)c1C 9309646 XUUCBDBMKQEFQN-VRENQZFPSA-N 425.539 4.042 10 40 IICB O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(F)cc1 9670134 DMROXKJYJAOOGW-UHFFFAOYSA-N 440.905 4.081 10 40 IICB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(C(=O)O)o1 9667888 TWEXPJSKXDQMNH-XDHOZWIPSA-N 432.432 4.372 10 40 IICB O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)N1CCCCC1 12223362 CJQMHFFULFPDNZ-NTCAYCPXSA-N 439.400 4.053 10 40 IICB CC[C@@H](Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1[N+](=O)[O-])c1ccccc1O 72277408 HPRJBFAPIXBQHH-MAUKXSAKSA-N 433.530 4.284 10 40 IICB CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c1C 223583950 HZFATXMHDNYRBG-UPVQGACJSA-N 434.609 4.325 10 40 IICB Cc1cc(C)c(S(=O)(=O)O)cc1N=Nc1cc(S(=O)(=O)O)c2ccccc2c1O 299847785 DZCOAQKTFAIFRV-UHFFFAOYSA-N 436.467 4.071 10 40 IICB Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)N4CCCC4)c3)SC2=S)cc1 408576575 XBVXWIGPNQMHRE-ZHZULCJRSA-N 438.574 4.402 10 40 IICB CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1ccccc1C 409341973 DCKYCMJAKYATQV-XDHOZWIPSA-N 442.562 4.242 10 40 IICB Cc1cccc(C)c1OCCOc1ccccc1/C=C1\C(=O)NN(c2ccccc2)C1=O 13943405 JLWPSJUEKWCCRS-OQKWZONESA-N 428.488 4.223 10 40 IICB CCN1C(=O)/C(=C\c2cc(Br)cc(Br)c2OC)SC1=S 16404977 NYXLQFHNMCEEFM-BJMVGYQFSA-N 437.178 4.441 10 40 IICB O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(CN2CCCc3ccccc32)cc1 22532023 BGTAUNQRUSEAQT-UHFFFAOYSA-N 441.575 4.406 10 40 IICB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1 107879689 CIMPOBYFELBPOX-UNOMPAQXSA-N 448.862 4.079 10 40 IICB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)c1 223843698 ZSIPGSBPULTEQC-UHFFFAOYSA-N 429.881 4.158 10 40 IICB Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCCC4)C3=O)c2C)c(C)c1 408549840 ABAUTLSZQHYKLO-FYJGNVAPSA-N 437.565 4.370 10 40 IICB CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1C 408964245 CKSFMIFBRYWQTE-FYJGNVAPSA-N 431.467 4.462 10 40 IICB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc4c(s3)CCC4)c2C)cc1 3305128 MFGOAMRKWBUUKS-UHFFFAOYSA-N 437.517 4.471 10 40 IICB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(F)c3)C2=O)c1 8819164 JGMZBAGGLWIULJ-PDGQHHTCSA-N 430.526 4.454 10 40 IICB Nc1c(C(=O)OCc2ncc(-c3ccc(F)cc3)o2)ccc2c1C(=O)c1ccccc1C2=O 14071540 PPRISRSQZZHCJX-UHFFFAOYSA-N 442.402 4.195 10 40 IICB COc1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)c2C)c1 15008647 PTUVDLLXSZUXDH-VXLYETTFSA-N 428.510 4.091 10 40 IICB O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1)N1CCCC1 408571516 BMWPINSETAQQAG-UYRXBGFRSA-N 442.537 4.233 10 40 IICB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2Br)o1 408695308 RMOYFTTYUXOMBU-XNTDXEJSSA-N 447.260 4.253 10 40 IICB COc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O 409050224 SOYNZKKTABHHJZ-YRNVUSSQSA-N 425.655 4.322 10 40 IICB CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OC(C)=O 409327584 KZGPPYPYCQRTOF-DJKKODMXSA-N 443.502 4.145 10 40 IICB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1 2344631 AHTWDEQYVCMCAK-KPKJPENVSA-N 440.080 4.422 10 40 IICB CC(C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc4c5c(c3)CCCN5CCC4)C2=O)cc1 9371046 RVVTTWVPYTWKPM-JCMHNJIXSA-N 429.520 4.175 10 40 IICB COc1ccc2ccc(O)c(CN3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)c2c1 14317428 QVPSYFRXTQYNNK-UHFFFAOYSA-N 433.504 4.420 10 40 IICB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=S)N1CCN(c2ccccn2)CC1 18244405 XPKJKDCGIJXBQE-UHFFFAOYSA-N 436.968 4.485 10 40 IICB CCc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 33323570 FMVYPNQMOQMKMI-YBFXNURJSA-N 440.546 4.208 10 40 IICB CC[C@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cccc1OC 409245929 AYZLPRVSYRRFGF-UESPBHMZSA-N 444.940 4.357 10 40 IICB CCCCCOc1ccc(-c2nc3s/c(=C\c4ccc(N(C)C)cc4)c(=O)n3n2)cc1 3649025 NPEPWZVVNHPBSP-PGMHBOJBSA-N 434.565 4.001 10 40 IICB CN1CCc2cc([C@@H](CNC(=O)c3ccc(Br)cc3)N3CCCC3)ccc21 8963329 ASDBARDWQZSWRB-OAQYLSRUSA-N 428.374 4.008 10 40 IICB CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1c1ccc(N(C)C)cc1 20802752 KOHXXMVTZUMICC-DHIUTWEWSA-N 448.567 4.264 10 40 IICB CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(Br)cc2Cl)C1=O 408526975 DORLGRSIDLGSNF-JLHYYAGUSA-N 448.704 4.244 10 40 IICB COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1c(F)cccc1Cl 408531271 PDSRKDAKUAPEHD-WJDWOHSUSA-N 429.831 4.143 10 40 IICB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(N2CCCCC2)cc1 9763788 IYYOCZGUVYANLI-UYRXBGFRSA-N 425.941 4.162 10 40 IICB O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 13672554 VPDOSFSGLQYKGI-UHFFFAOYSA-N 441.575 4.012 10 40 IICB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@H](NC(N)=O)c1ccc(Cl)cc1 24750938 UVUBYZKDTCHQEX-NRFANRHFSA-N 428.964 4.088 10 40 IICB Cc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(C)C1=O 26675879 DUFPWCBFRMPZFG-PDGQHHTCSA-N 430.507 4.192 10 40 IICB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1OC 408797987 DFJGJGOCISJPBT-UKTHLTGXSA-N 449.290 4.457 10 40 IICB COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cccc(OC)c1OC 409016713 GXQNTPLWZSEPBW-WJDWOHSUSA-N 443.883 4.243 10 40 IICB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O 409017979 GVHSIUPDFUMFRB-IYSPOMMRSA-N 428.510 4.091 10 40 IICB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c(C)n1-c1cccc(F)c1 9468426 OUZNIQDGLDGMQE-SANMLTNESA-N 445.494 4.200 10 40 IICB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 12868223 NITZCLZBZVGGMH-LFIBNONCSA-N 442.855 4.093 10 40 IICB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1 59194087 QUYUICXTGMPPAJ-DEDYPNTBSA-N 434.879 4.389 10 40 IICB CCc1cccc2c(/C=C3\SC(=S)N(C)C3=O)cn(CC(=O)N3CCCCCC3)c12 409148953 UYBYORVVCCBGPO-UYRXBGFRSA-N 441.622 4.437 10 40 IICB O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccc(Br)o1 32189237 CFOVKJMJOCYYDJ-VURMDHGXSA-N 446.109 4.180 10 40 IICB COc1ccc(NC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1OC 35597177 PAXITMLQLJPTLR-JOCHJYFZSA-N 438.572 4.045 10 40 IICB O=C1c2ccccc2C(=O)c2c1oc(C(F)(F)F)c2C(=O)c1ccc2c(c1)OCCO2 10034949 MJDWWSYESPLDRA-UHFFFAOYSA-N 428.318 4.076 10 40 IICB CCCCCN1C(=O)[C@H](C(=O)OCC)[C@H](c2ccc(N(C)C)cc2)n2c1nc1ccccc12 20675731 NTOZGQXVYHFZHR-PKTZIBPZSA-N 448.567 4.408 10 40 IICB CCOc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c1 408865560 BFLYXUPZMORWMZ-LICLKQGHSA-N 443.297 4.131 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1Cc1cccc(F)c1 408866064 DGWBLVMIYQOMAW-PXLXIMEGSA-N 444.462 4.482 10 40 IICB COc1ccc(/C=C2/SC(=S)N([C@@H](CC(=O)O)c3ccccc3)C2=O)cc1OC 12032232 XEPSCNHVKJUICU-LZNAANCOSA-N 429.519 4.121 10 40 IICB Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 12542513 NZNCMLCPFUKOIM-UHFFFAOYSA-N 449.532 4.418 10 40 IICB COc1cccc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccc(Cl)cc32)c1 49003972 PPJSFEUWLBXFAI-UHFFFAOYSA-N 446.956 4.374 10 40 IICB Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)NC2=S)c1 409243129 YVCRHMXCYQBICW-PDGQHHTCSA-N 447.472 4.303 10 40 IICB O=C(CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc(C(=O)O)cc1 1298822 PZEAOHTUVQYNJE-GHRIWEEISA-N 426.519 4.005 10 40 IICB COc1ccc2c(c1)N(C)/C(=C\c1sc3ccccc3[n+]1CCCS(=O)(=O)O)S2 6136041 AOVOENZIRZQLEG-UHFFFAOYSA-O 449.599 4.016 10 40 IICB CCc1nnc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)s1 9444782 IBAQQIODESNDJO-SDNWHVSQSA-N 432.596 4.029 10 40 IICB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1 12493776 LRTNEBGHKGEZRM-UHFFFAOYSA-N 437.437 4.339 10 40 IICB COC(=O)c1ccccc1NC(=O)Cn1c(CCC(=O)O)ccc1-c1ccc(Cl)cc1 14153075 KOCHXEDQJYSZQJ-UHFFFAOYSA-N 440.883 4.251 10 40 IICB CCOc1ccc(N2C(=O)/C(=C/[C@@H]3C(=O)N(c4ccccc4)N=C3C)SC2=S)cc1 27026928 NMGBCVZMTCOMBW-UZNZLNSGSA-N 437.546 4.373 10 40 IICB O=C(NN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)c1ccc(OC(F)F)cc1 33330466 HTKCQMBJKRPSPK-QSJINSDNSA-N 432.473 4.390 10 40 IICB CN(C)c1ccc([C@H](CC(=O)c2c(O)c3ccccc3n(C)c2=O)Nc2cccnc2)cc1 100361852 DKPPEIFUNZVUKC-NRFANRHFSA-N 442.519 4.131 10 40 IICB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3c(O)ccc4ccccc34)C2=O)c1 408854108 XVEUQEMQJIEVGF-RGEXLXHISA-N 446.459 4.009 10 40 IICB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2ccc(Cl)cc2)C1=O 409222216 WCZRUTUFSHTXSS-NBVRZTHBSA-N 435.867 4.196 10 40 IICB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)c1C 13811215 DQIVLLOVUOIWJI-HYEKDMSNSA-N 437.481 4.178 10 40 IICB CCCCN1C(=O)[C@@H](C(=O)OCC)[C@H](c2ccc(N(C)C)cc2)n2c1nc1ccccc12 20638384 HBICVMPCZMERBY-VXKWHMMOSA-N 434.540 4.018 10 40 IICB COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C/c1c(F)cccc1Cl 408892120 GHZPOAFDYQHYNG-QGOAFFKASA-N 429.875 4.403 10 40 IICB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC)c(Cl)c3)C2=O)cc1 408900032 RBPNTDBRRLNTOV-ATVHPVEESA-N 428.872 4.194 10 40 IICB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ncccc2C)c1C 223061792 DUMFQMFCDCDSSU-FGZHOGPDSA-N 435.597 4.202 10 40 IICB COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)cc1 223269877 AIOVIJKEGWHLSL-DNQXCXABSA-N 449.624 4.032 10 40 IICB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(O)cc4)c3C)C2=O)c1 408772987 ODKSIPZKRLSDCC-LPYMAVHISA-N 429.476 4.083 10 40 IICB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)c(C)n1-c1ccccc1 3329932 VBHDUPTWFKZDIL-DEOSSOPVSA-N 433.533 4.122 10 40 IICB aggregator Cc1ccccc1N1O[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]1c1ccc(N(C)C)cc1 6144618 OWNXZFIABYXDMT-TZRRMPRUSA-N 445.494 4.251 10 40 IICB O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1ccc(Br)cc1 19841896 XJDJAWDHHBPHEM-RGEXLXHISA-N 442.382 4.237 10 40 IICB COc1ccc(N2CCN(C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3)CC2)cc1 408920652 LXDNQOKJHDKWLY-NCELDCMTSA-N 443.503 4.493 10 40 IICB COc1cc(NS(=O)(=O)c2ccc(C)cc2)c(C(=O)c2cccc(C)c2)cc1OC 2280203 QRHPPCFTUPEQID-UHFFFAOYSA-N 425.506 4.352 10 40 IICB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 23402432 BZDXTLOCRULRDI-MOSHPQCFSA-N 449.850 4.289 10 40 IICB Cc1cccc(-n2nnnc2SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c1 3533822 WVHRLBIQWKELQD-UHFFFAOYSA-N 447.520 4.082 10 40 IICB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N1CCC(c2ccccc2)=N1 9338026 XZEGOXYFQANOOI-UHFFFAOYSA-N 448.548 4.070 10 40 IICB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c(C)n1-c1cccc(Cl)c1 9469501 NIBUNOGDNFGHKU-VWLOTQADSA-N 447.922 4.324 10 40 IICB COc1ccc(Cl)cc1-n1c(C)cc(C(=O)Nc2ccc(N3CCOCC3)nc2)c1C 22994774 FZFDQTBQPNFSJQ-UHFFFAOYSA-N 440.931 4.240 10 40 IICB CC(=O)N1[C@H](c2ccccc2O)SC[C@H]1C(=O)NCCc1ccc(Cl)cc1Cl 27118091 FJSDNEAOAGLFTO-PXNSSMCTSA-N 439.364 4.020 10 40 IICB O=C1/C(=C\c2cc([N+](=O)[O-])cc(Br)c2O)SC(=S)N1c1ccccc1 59422895 QWMRAGMRFCZXDY-NTUHNPAUSA-N 437.296 4.469 10 40 IICB O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)N1CCC(Cc2ccccc2)CC1 12274863 KFBQKDLMBYSQMP-LTGZKZEYSA-N 436.602 4.369 10 40 IICB COc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccc(Cl)c(Cl)c2)C1=O 16226478 BAPJUKPQOHMEGY-GHXNOFRVSA-N 442.096 4.226 10 40 IICB Cc1ccccc1NC(=O)Cc1csc2[n+]1C(=O)/C(=C\c1cccc([N+](=O)[O-])c1)S2 17221814 PWVWKSOOKWSEDN-VCHYOVAHSA-O 438.510 4.220 10 40 IICB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1cccc2c1C(=O)c1ccccc1C2=O 31817931 ZBKKENWHUKPDAM-UHFFFAOYSA-N 449.388 4.469 10 40 IICB CN(C)c1ccc([C@@H](CNC(=O)COc2ccccc2F)N2CCc3ccccc3C2)cc1 35560563 LAYSGXTXICASGS-RUZDIDTESA-N 447.554 4.186 10 40 IICB CCOc1ccc(CNC[C@H]2CC[C@H](c3cc(C(N)=O)c4ccccc4n3)CC2)cc1CO 100658028 GKXSQYIOQDWIRM-PUZFROQSSA-N 447.579 4.288 10 40 IICB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 408779921 NPEJQZBVGIEGNQ-RVDMUPIBSA-N 448.435 4.113 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC 408799721 HXDQFHOFYGWABA-LICLKQGHSA-N 442.899 4.421 10 40 IICB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 409231093 BJEILKUMOUJARJ-ZROIWOOFSA-N 428.231 4.315 10 40 IICB CC[C@H](C)c1ccc(OCCOc2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc2)cc1 9704309 XRTKJDKKVIEROP-KRWDZBQOSA-N 436.508 4.092 10 40 IICB COc1ccc(N2CCN(Cc3nc4scc(-c5cccs5)c4c(=O)[nH]3)CC2)cc1 13637538 LJNZQUQHPIUGLA-UHFFFAOYSA-N 438.578 4.044 10 40 IICB COc1ccc(N2CCN(Cc3cc(=O)c(OC/C=C/c4ccccc4)co3)CC2)cc1 56949765 DVMLPYZYOKRJOE-VMPITWQZSA-N 432.520 4.063 10 40 IICB O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccn1-c1ccccc1 408854239 AQRIXVWVZDUFJJ-LFIBNONCSA-N 426.259 4.451 10 40 IICB O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1CC(=O)N1CCCC[C@H]1c1cccnc1 8995764 BPOLYMDTYKKTPM-IZILLXMLSA-N 441.553 4.176 10 40 IICB CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)c1ccc(OCC(N)=O)cc1 14184177 FEOFNJCLCCSXNX-UHFFFAOYSA-N 440.543 4.243 10 40 IICB CCN(CC)c1ccc(CN(C(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)[C@H]2CCS(=O)(=O)C2)cc1 28251041 QAOXONSVQHWZME-ZRBLBEILSA-N 446.657 4.287 10 40 IICB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1c(C)nn(-c2ccccc2)c1O 59246308 ZUJPSPKGSGVGLY-BOPFTXTBSA-N 436.855 4.044 10 40 IICB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(C)cc1 408811436 VMMDCQXSLUVHOC-KGENOOAVSA-N 442.471 4.249 10 40 IICB COc1ccc(N2CCOCC2)c(NC(=O)c2cc(Br)ccc2Cl)c1 9526233 WAORDFSSVSMXRO-UHFFFAOYSA-N 425.710 4.200 10 40 IICB CN(C)c1ccc([C@H](CNC(=O)Nc2ccc3c(c2)OCO3)N2CCc3ccccc32)cc1 22419035 YRFUEPZIADQIAS-QHCPKHFHSA-N 444.535 4.407 10 40 IICB Cc1ccnc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)c1 223315527 QDZQMMTZOUETNQ-WUMKDDEVSA-N 447.608 4.344 10 40 IICB COc1c(Cl)cc(Br)cc1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O 409079890 CBIUYGCEGWHBQZ-RYPVXOHGSA-N 448.791 4.491 10 40 IICB O=C1/C(=C\c2ccc(I)o2)SC(=S)N1c1ccccc1F 409348224 RTSBHJWEAWFZBM-YRNVUSSQSA-N 431.251 4.429 10 40 IICB Cc1c(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c2ccccc2n1C 693812 UGEHHLSPONDJSU-GDNBJRDFSA-N 428.275 4.460 10 40 IICB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1C 13146273 QYOOLNULWHDXKO-UHFFFAOYSA-N 440.471 4.395 10 40 IICB CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2)N2CCN(c3ccccc3)CC2)cc1 22665377 MJVBIPAVXVCAAK-AREMUKBSSA-N 428.580 4.046 10 40 IICB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)o1 32109401 ANPFGPQMFDZZEU-OVDNTTTISA-N 439.453 4.139 10 40 IICB COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)O 408901864 IBQIPSRVOFAKDO-OQLLNIDSSA-N 435.910 4.218 10 40 IICB COc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccc(C(C)C)cc2)C1=O 409254973 XHDAPPXEYSFSKY-KGENOOAVSA-N 449.576 4.250 10 40 IICB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Cl)cc(OC)c2O)N3)C1 8921393 QEEPNMMTEFPSTA-MRXNPFEDSA-N 437.905 4.059 10 40 IICB COc1ccc2[nH]cc(/C=C3\SC(=S)N([C@H](Cc4ccccc4)C(=O)O)C3=O)c2c1 9485185 UEEILFGJBHVNAT-HSNFWNHWSA-N 438.530 4.074 10 40 IICB COc1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(C(=O)O)cc4)N=C3C)o2)c([N+](=O)[O-])c1 10059830 CEZYHUNXQSPGPL-ODLFYWEKSA-N 447.403 4.368 10 40 IICB O=C1C(=Cc2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 34077974 YPKXAOBMJQRJCE-UHFFFAOYSA-N 429.457 4.343 10 40 IICB Cc1cc(/C=C2/C(=O)N(c3cccc(Br)c3)C(=S)N=C2O)cc(C)c1O 38176877 PLPWPXFOQOLICG-OVCLIPMQSA-N 431.311 4.443 10 40 IICB COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)ccc1Cl 225127772 XFYRCMGAUALJJU-HNNXBMFYSA-N 436.961 4.156 10 40 IICB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 409000710 ZQTFMRFVAWDMOQ-NVNXTCNLSA-N 442.265 4.055 10 40 IICB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)c1 9035495 BZFLILPDUCCHRS-UNOMPAQXSA-N 431.404 4.138 10 40 IICB Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1 9188756 RLXOEQFCKLEDKV-GDNBJRDFSA-N 433.352 4.304 10 40 IICB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(Sc2nc3ccccc3[nH]2)o1 9310166 BVCGEJZBGDARKR-QBFSEMIESA-N 448.435 4.113 10 40 IICB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 12631907 RUJJQPDBRMOXPX-JOCHJYFZSA-N 437.559 4.327 10 40 IICB COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1 408875954 IDZOZLTVXAYROG-RIYZIHGNSA-N 449.688 4.086 10 40 IICB Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)o3)C(=O)NC2=S)cc1Cl 409233182 RPHYXANXRCWNIF-FOWTUZBSSA-N 429.929 4.063 10 40 IICB CC(=O)N1C(=O)/C(=C2\SC(Nc3cc(Cl)cc(Cl)c3)=NC2=O)c2ccccc21 2292070 XCGLEPMSQOVGMF-NXVVXOECSA-N 432.288 4.339 10 40 IICB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)cc1 9459362 BIZANWFVFJMDEB-BKUYFWCQSA-N 449.894 4.423 10 40 IICB COc1cc(OC)cc([C@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3O)CCCC5)=NN2)c1 12296562 FWQKTFSWDDFIIM-LJQANCHMSA-N 434.492 4.142 10 40 IICB biogenic Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 16310461 DMSXYRNPRRGAPO-UHFFFAOYSA-N 430.551 4.213 10 40 IICB COc1ccc(OCCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2OC)cc1 33430071 LXDBHMYPNVVUSK-ZHZULCJRSA-N 445.562 4.383 10 40 IICB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)C2=O)cc1 208198014 ILTWAXCSAXVDPP-ZFMLPXDISA-N 447.535 4.474 10 40 IICB CC1=NN(c2cccc(C)c2)C(=O)/C1=C/Nc1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1C 408758162 WGHQFGAUABYNRL-FYJGNVAPSA-N 430.468 4.424 10 40 IICB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)C2=O)c1 408785025 FJTCGKRLIAKVKR-HYARGMPZSA-N 429.476 4.159 10 40 IICB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1Cc1ccccc1F 408876465 LLPPMFPEVJILMX-MOSHPQCFSA-N 446.503 4.256 10 40 IICB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 409245435 SWROVODVGODORO-OQLLNIDSSA-N 428.231 4.315 10 40 IICB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(OCC)c1 409251343 PHGOKUQRDZGWHJ-DEDYPNTBSA-N 438.549 4.439 10 40 IICB COc1ccc(N2CCN(C(=O)c3sc4nc5ccc(C)cc5cc4c3N)CC2)cc1 1342736 OBNKKGGQAIBDAH-UHFFFAOYSA-N 432.549 4.311 10 40 IICB COc1cc(C(C)=O)ccc1OCC(=O)OCC(=O)c1cc(C)n(-c2ccccc2)c1C 9665907 GAJYIZHFPIHUBF-UHFFFAOYSA-N 435.476 4.110 10 40 IICB Cc1cc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c(C)n1-c1ccccc1 16685164 QGYGAAXLIKMTNT-KRWDZBQOSA-N 431.492 4.015 10 40 IICB COC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)ccc1Cl 223834454 HISHNFMQOCTQFO-UHFFFAOYSA-N 429.881 4.158 10 40 IICB COC(=O)COc1c(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cccc1OC 408530272 JURXONFVGNLPMF-SXGWCWSVSA-N 449.937 4.306 10 40 IICB COc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(Cc2ccccc2Cl)C1=O 409221626 TZMPDQALNAPAAY-NDENLUEZSA-N 444.940 4.422 10 40 IICB COc1cc(Br)cc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)c1O 12537558 USFVQVOESFJXTL-HNNXBMFYSA-N 431.208 4.292 10 40 IICB CSc1nc2ccccc2n1C(=O)CCN1C(=O)/C(=C/c2ccco2)SC1=S 16700025 GGLZVCARTOPPLC-PTNGSMBKSA-N 429.548 4.283 10 40 IICB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccn2)c1C 223061444 YXBLLECJDRXFCU-PKTZIBPZSA-N 435.597 4.202 10 40 IICB COc1ccc(N2CCN(c3ncnc4c3cnn4-c3ccc(C)c(Cl)c3)CC2)cc1 8583095 YNKKQUQAQLKYEX-UHFFFAOYSA-N 434.931 4.113 10 40 IICB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc3cccc(Cl)c3n2)SC1=S 8991152 LDNSTQMFGXNENZ-FYQHACEVSA-N 438.983 4.296 10 40 IICB CC(C)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1 16838391 GIMOYGNTFCDNAL-VWLOTQADSA-N 448.611 4.084 10 40 IICB COCCN(Cc1c(C)cc2oc(=O)c(C)c(C)c2c1O)C[C@@H]1CCCN2CCCC[C@H]12 524729147 FZNBYZGQXNKAJR-RBBKRZOGSA-N 442.600 4.137 10 40 IICB biogenic CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccc(F)cc1 1062134 MCUPVJRJNSWFLN-VCHYOVAHSA-N 447.509 4.089 10 40 IICB Cc1ccccc1N1O[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]1c1ccc(N(C)C)cc1 11617179 GLPRDMNJRZUXOQ-WXFUMESZSA-N 427.504 4.112 10 40 IICB COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccc(C)cc1 13895847 JNZLFENXLMGLTP-ZDLGFXPLSA-N 430.913 4.342 10 40 IICB Cc1ccccc1N1C(=O)/C(=C/c2ccc(SCCO)c([N+](=O)[O-])c2)SC1=S 32124763 FLEREKLJBPRNLS-BOPFTXTBSA-N 432.548 4.393 10 40 IICB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1OCC 408808385 FWIIHQXVLGQXRQ-NTCAYCPXSA-N 428.872 4.194 10 40 IICB CCc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccc3C(=O)O)C2=O)cc1 1217782 GTHQYKCVZCYVTI-AQTBWJFISA-N 440.546 4.177 10 40 IICB Cc1c(C=C2C(=O)NC(=O)NC2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl 1409502 WCWBUFTXDKYNMO-UHFFFAOYSA-N 428.275 4.054 10 40 IICB CC1(C)CC(N/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)CC(C)(C)N1 19944165 WQEQRIVUPXKHSV-PGMHBOJBSA-N 447.539 4.128 10 40 IICB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)NC2=S)cc1 408759571 HGNIGDUKEUEEDN-HYARGMPZSA-N 445.544 4.242 10 40 IICB COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 409220682 DFAHEXVSGSWDIA-CPNJWEJPSA-N 439.899 4.005 10 40 IICB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C2=O)cc1 2337395 RLSQUEGSYIDKHH-HZHRSRAPSA-N 443.503 4.468 10 40 IICB Cn1c(/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc2ccccc21 8821932 IIUZFFBGUBSEOY-GZTJUZNOSA-N 427.938 4.378 10 40 IICB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)COc2ccc(Br)cc2)cc1 8845980 FFWYXICMTLHWKI-OAQYLSRUSA-N 447.373 4.102 10 40 IICB CCc1ccc(N2C(=O)/C(=C\c3cccn3-c3cccc(C(=O)O)c3)C(O)=NC2=S)cc1 20332891 FCYLJPRAVNHJGG-ZHZULCJRSA-N 445.500 4.410 10 40 IICB CCN(CC)c1ccc(-n2c(C)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2C)cc1 107554514 VUJMNCIGWCQWQT-ULJHMMPZSA-N 428.536 4.402 10 40 IICB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccccc1 223742073 WKHKCXLETIJYSG-GOTSBHOMSA-N 434.565 4.106 10 40 IICB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc(Br)c1 408788882 MTGVSEIOSXFNNE-PDGQHHTCSA-N 428.282 4.335 10 40 IICB CC1=NN(c2ccccc2)C(=O)/C1=C(\Br)[C@H]1C(=O)N(c2ccccc2)N=C1C 3845628 RMYWIKONPQRBGB-NSURYPBFSA-N 437.297 4.097 10 40 IICB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)SC1=S 8818962 LQGYHWGWEKPFSS-KNGSKEOJSA-N 437.539 4.493 10 40 IICB CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl 16692354 QZFAHVUDPAIYKF-ZROIWOOFSA-N 449.688 4.168 10 40 IICB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c1C 222747229 VHCPEATUSKWHSG-NHCUHLMSSA-N 437.525 4.008 10 40 IICB CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2ccc(F)cc2)SC1=S 256055755 RYYFESQTQMAGCU-XIDKLXSXSA-N 430.526 4.114 10 40 IICB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC 408916922 IVFZKUYCXLXILL-DHDCSXOGSA-N 448.903 4.108 10 40 IICB CCOc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1OC 409141580 VQRDYGQHSSIYRW-OQLLNIDSSA-N 444.940 4.195 10 40 IICB O=C(OCc1nc2ccccc2s1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 3291383 FPCBYWJHPDKNDK-UHFFFAOYSA-N 446.531 4.221 10 40 IICB Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)c2C)cc1C 9588558 LDVFEADZWDGBPX-HHHXNRCGSA-N 441.531 4.287 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OCC 14133028 LTIKDTLQSCTJHQ-XNTDXEJSSA-N 428.872 4.112 10 40 IICB CN1CCCc2cc([C@H](CNC(=O)c3ccc(C(C)(C)C)cc3)N3CCOCC3)ccc21 16838366 VLMADMCEKFSGNV-VWLOTQADSA-N 435.612 4.170 10 40 IICB CC[C@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1OC 33383370 QVLRZCHGIOOJNY-MFVBVHDHSA-N 445.313 4.096 10 40 IICB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc(Cl)c1 223576827 PFNPLJPMDYPBCJ-NHCUHLMSSA-N 426.973 4.107 10 40 IICB CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl 225839269 ZLSLPVFBMXRIQL-OAHLLOKOSA-N 447.988 4.401 10 40 IICB COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(Br)cc1 408977223 UYROUIRYKUJRLW-RGEXLXHISA-N 426.310 4.364 10 40 IICB CCc1cccc2c(/C=C3\SC(=S)N(C)C3=O)cn(CC(=O)N3CCCCC3)c12 409133656 MBFOYXIBOAUWSN-PDGQHHTCSA-N 427.595 4.047 10 40 IICB Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)C(=O)N=C2O)c1 2306871 NEDYUKDMAIHSPX-CIAFOILYSA-N 444.447 4.182 10 40 IICB O=C(NN1C(=O)/C(=C/c2ccc[nH]2)SC1=S)c1ccc(OCc2ccccc2)cc1 8869997 OYFKGAYEDBRPQH-UYRXBGFRSA-N 435.530 4.140 10 40 IICB CCN(CCOC)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2S(=O)(=O)C(F)F)cc1 9090936 AISGLEIJQNVNRL-QURGRASLSA-N 442.444 4.479 10 40 IICB N=C1/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 9457848 NUUOSYNZTUZQHK-GDJNFKMVSA-N 439.500 4.328 10 40 IICB COc1ccc(N2C(=O)/C(=C/c3cc(F)c(N4CCCC4)cc3C)C(O)=NC2=S)cc1 33562936 CQHIWJZRGUBFSD-LDADJPATSA-N 439.512 4.415 10 40 IICB Cc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1cccc(F)c1 33704985 CAKKCFXJEYVOAQ-FPYYEXTBSA-N 433.468 4.494 10 40 IICB CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1OC 34720755 LSLJLZVDGWOICW-GZTJUZNOSA-N 448.953 4.294 10 40 IICB COc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1Cl 41083211 BCYHKQOBKNOYKT-UJADIJFVSA-N 427.917 4.414 10 40 IICB O=c1[nH]cccc1-c1c2oc3c(O)c(O)ccc3c2nc2c1c(=O)[nH]n2C1CCCCCC1 85877205 YEKMRTPJCWOGSY-UHFFFAOYSA-N 446.463 4.286 10 40 IICB biogenic Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1N(C)S(C)(=O)=O 222464011 GKMCWXILQXVVEQ-LJQANCHMSA-N 443.613 4.118 10 40 IICB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2O)c1C 223055049 RXTFZIRPGTZPCY-XZOQPEGZSA-N 436.581 4.204 10 40 IICB Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)nc1 223315912 AKZBQRUGYJKXHY-WUMKDDEVSA-N 447.608 4.344 10 40 IICB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)cc3)C2=O)c1 408885951 HDMPSWTXTVNLKK-HYARGMPZSA-N 430.435 4.380 10 40 IICB COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1cccc(OC)c1OC 409367437 YXAHGKDZENGMEH-PDGQHHTCSA-N 425.506 4.303 10 40 IICB CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C)ccn4)c3C)C(=O)NC2=S)cc1 409379824 ZWHYCLAUXCYNNR-KGENOOAVSA-N 444.560 4.191 10 40 IICB CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc1 1417314 QODOHLZCALGJDV-NFECSFHCSA-N 442.562 4.419 10 40 IICB CN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccc3O)=NN12 10213984 VRRWGIXZYYGJBR-GOSISDBHSA-N 428.330 4.120 10 40 IICB Cc1cc(C(=O)CSc2nc3[nH]ncc3c(=O)[nH]2)c(C)n1-c1cccc(C(F)(F)F)c1 12520822 JRXHDHUHYKECNL-UHFFFAOYSA-N 447.442 4.048 10 40 IICB CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260453145 FJZDXXZYBTXPGK-OALUTQOASA-N 443.613 4.200 10 40 IICB CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 408803918 USVPGXAKIQRSOQ-GZTJUZNOSA-N 443.297 4.131 10 40 IICB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O)Nc1ccccc1F 8815764 VKOFLALXIRCLDY-CPNJWEJPSA-N 425.485 4.101 10 40 IICB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1cc(C)cc(C)c1 41078514 QNTPFCYFVTWVNB-HAHUYDAESA-N 447.491 4.220 10 40 IICB Cc1cc(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)c2nc[nH]n2)c(C)n1-c1ccccn1 97108888 WPYAWRVFEBKODI-IBGZPJMESA-N 440.429 4.145 10 40 IICB Cc1cc(C)cc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCCC4)C3=O)c2C)c1 205909174 YLQMOHMVDQHXKD-FYJGNVAPSA-N 437.565 4.370 10 40 IICB O=C(NN1C(=O)/C(=C/C=C/c2ccco2)SC1=S)c1ccccc1Br 13788422 UEPZMBBJZKZQCH-OXTPFRESSA-N 435.324 4.145 10 40 IICB O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1CCN1CCOCC1 14187270 HJAABNYXXPKADG-AQTBWJFISA-N 434.970 4.133 10 40 IICB Cc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c(C)n1-c1ccc(-c2ccccc2)cc1 108928335 QYTRPPAUYIDJBO-JLHYYAGUSA-N 428.448 4.216 10 40 IICB CCOc1ccc(CNC[C@H]2CC[C@H](c3cc(C(N)=O)c4ccccc4n3)CC2)cc1CO 257232459 GKXSQYIOQDWIRM-KESTWPANSA-N 447.579 4.288 10 40 IICB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(OCC)c1 409247506 CZRLYSHCIHWFBS-LICLKQGHSA-N 444.940 4.277 10 40 IICB CN(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2csnn2)c2ccccc2)cc1 6287499 RAQDYFLKIANYMW-QFIPXVFZSA-N 449.580 4.051 10 40 IICB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCC(Cc2ccccc2)CC1 8820218 DPYIELWVRYMMJV-XMHGGMMESA-N 442.631 4.431 10 40 IICB Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)C(=O)NC2=S)c1 9724331 QACCIOUTGAIGRZ-UNOMPAQXSA-N 446.484 4.093 10 40 IICB CCN(CC)S(=O)(=O)c1ccc(N/C=C2/C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1 100191729 CPBWAZMTZZLOCS-PXLXIMEGSA-N 440.569 4.052 10 40 IICB C=C1c2ccccc2C(=O)N1CC(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 11577513 LQNSLNNTQYZLIE-UHFFFAOYSA-N 432.451 4.086 10 40 IICB CCN(CC)c1ccc(/C=c2/sc3nc(-c4ccc(OCC(C)C)cc4)nn3c2=O)cc1 16728838 WLOYWICQEXGXHN-PXLXIMEGSA-N 448.592 4.247 10 40 IICB CC(=C\c1ccccc1)/C=C1/SC(=S)N(NS(=O)(=O)c2ccc(C)cc2)C1=O 27229629 KCPBIJRLUJKCAR-PYEASBQRSA-N 430.576 4.036 10 40 IICB O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 27533911 AFRNHDVVLHZGOZ-YLQKULKDSA-N 448.363 4.346 10 40 IICB CCc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1 101025067 KRWAHTYTUHKDKY-DSITVLBTSA-N 441.531 4.366 10 40 IICB COc1ccc(N2CCN([C@@H](c3cccs3)c3nnnn3C3CCCCC3)CC2)cc1 1337522 OMGFGENGDMKVQO-QFIPXVFZSA-N 438.601 4.160 10 40 IICB CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 15056085 NVIOEYZGTSUYHC-YVLHZVERSA-N 448.953 4.245 10 40 IICB CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN2CCN(C)CC2)c1O 19898681 STPYUMDEPWRAHU-UHFFFAOYSA-N 435.549 4.085 10 40 IICB biogenic CCCCN1C(=O)[C@H](C(=O)OCC)[C@H](c2ccc(N(C)C)cc2)n2c1nc1ccccc12 20638388 HBICVMPCZMERBY-YADHBBJMSA-N 434.540 4.018 10 40 IICB O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2 110422905 AUOGWCLHERKBJM-CAOOACKPSA-N 443.550 4.044 10 40 IICB C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc21 208197043 IEVOADZTUMGJSD-IQGJIOQQSA-N 437.540 4.379 10 40 IICB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 409216908 MFVWIFCFMMXSGZ-VAKHEIKFSA-N 429.450 4.023 10 40 IICB COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 409239851 QYGGLUJSHGGBGT-XDHOZWIPSA-N 439.899 4.005 10 40 IICB CCCN1C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OC)c2)SC1=S 409340013 ONYYLOCCLKBJAQ-YBEGLDIGSA-N 431.495 4.402 10 40 IICB CCN1C(=O)/C(=C/c2cn(CC(=O)NCc3cccs3)c3ccccc23)SC1=S 409133099 QPJIKKFJNWRXHQ-ZDLGFXPLSA-N 441.603 4.240 10 40 IICB O=C(Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc21)NC1CC1 409145421 IBWWVMLCKZVWTP-NDENLUEZSA-N 433.558 4.326 10 40 IICB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 409233314 UVQLQEATYOYIMW-DHDCSXOGSA-N 428.231 4.315 10 40 IICB CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(OC)cc4)c3C)C(=O)N=C2S1 2180498 XTXGHDGFIBUQMB-JMCWYTMQSA-N 439.566 4.433 10 40 IICB COc1ccc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(OC)cc2)cc1 9331802 AEGFLNASTGHBPV-PXLXIMEGSA-N 429.432 4.447 10 40 IICB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Cl)c3O)C2=O)c1 9434826 IVBBJLUJUJXTOO-AUWJEWJLSA-N 449.688 4.091 10 40 IICB COc1cccc(OCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)c1 9569183 IISMJTCUTFAGEW-SANMLTNESA-N 445.563 4.060 10 40 IICB Cc1ccc(COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 408873810 VZTXMZNOHDXYCG-RGEXLXHISA-N 430.435 4.380 10 40 IICB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc4ccccc34)C2=O)cc1OC 409212843 RAVQFSFMNSXRSN-XSFVSMFZSA-N 430.460 4.304 10 40 IICB COc1ccc(N/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(OC)cc2)cc1 100424603 QTVUCMDYVXADOR-PXLXIMEGSA-N 444.447 4.359 10 40 IICB Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)c3ccccc32)c1 408692329 JXQHPOCNAAHLSM-HYARGMPZSA-N 427.504 4.402 10 40 IICB CCN1C(=O)N=C(O)/C(=C/c2cn(CCCOc3ccccc3OC)c3ccccc23)C1=O 9010059 IMYDDTZYWMFWIV-CYVLTUHYSA-N 447.491 4.441 10 40 IICB CCOC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2ccc(O)c(CN3CCOCC3)c12 68755248 XJWRIIBRANNLOI-UHFFFAOYSA-N 428.916 4.307 10 40 IICB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccc(F)c1 223267308 CZFPLGOBVOGGPS-GOTSBHOMSA-N 437.588 4.162 10 40 IICB COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCC(C)C 3766092 WQHWIMHJGKFIRJ-LICLKQGHSA-N 448.591 4.338 10 40 IICB Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc(N(C)C)cc3)[C@@H]2C1=O 11907950 MTHKDCZYNZGXGA-HJOGWXRNSA-N 427.504 4.112 10 40 IICB COC(=O)c1ccc(C)c(-c2ccc(/C=C3\C(=O)N(C)C(=O)N(c4ccccc4)C3=O)o2)c1 59138947 SMNCXPLFFCRMJE-XSFVSMFZSA-N 444.443 4.050 10 40 IICB CC1=NN(c2cc(Cl)c(S(=O)(=O)O)cc2Cl)C(=O)[C@H]1/N=N/c1ccccc1 111384970 CTUGJQNYMKNXCM-CVTQAYBASA-N 427.269 4.115 10 40 IICB Cc1ccc(COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2)cc1 408873473 UMUXWDCUGHQHIC-JCMHNJIXSA-N 428.513 4.405 10 40 IICB CCCN1C(=O)/C(=C\c2ccc(OC(C)C)c(OC)c2)C(=O)N(c2ccccc2)C1=S 409022722 QGTMBSXDRGMSNL-XMHGGMMESA-N 438.549 4.436 10 40 IICB CCOc1ccc(Br)cc1/C=C1\SC(NC(=O)c2ccccc2)=NC1=O 409148119 OOKNNQMAJDYOQQ-WJDWOHSUSA-N 431.311 4.248 10 40 IICB Cc1cc(C(=O)COC(=O)[C@]2(C)CC2(Cl)Cl)c(C)n1-c1ccc2c(c1)OCCO2 2636603 XRRPWZYLEOUEFT-FQEVSTJZSA-N 438.307 4.175 10 40 IICB Cc1cc(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c(C)n1-c1ccc2c(c1)OCO2 3423629 WOTBEFUOSZQEDP-UHFFFAOYSA-N 435.871 4.013 10 40 IICB O=C1c2ccccc2C(=O)c2cc(NC(=S)NC(=O)C34CC5CC(CC(C5)C3)C4)ccc21 9580461 SOGSSCVBKVCZIW-UHFFFAOYSA-N 444.556 4.491 10 40 IICB COCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccncc2)SC1=S 13037739 AGCZUNRYHIIYNM-XMHGGMMESA-N 436.562 4.172 10 40 IICB COc1ccc(N2CCOCC2)c(NC(=O)C(C)(C)Oc2ccc(Br)cc2)c1 20528882 AIQAIVOBATZOEF-UHFFFAOYSA-N 449.345 4.090 10 40 IICB Cc1ccc(Cl)c2c1N[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)[C@@H]1CC=C[C@H]21 33932960 SUCJNZHZRLXGME-YYDVJCTNSA-N 444.984 4.496 10 40 IICB COc1ccc(N(Cc2ccc(N(C)C)cc2)S(=O)(=O)c2ccc(F)c(F)c2)cc1 36390503 KXDZMVCTLTUPPF-UHFFFAOYSA-N 432.492 4.435 10 40 IICB O=C1N=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)S/C1=C/c1ccc(Cl)cc1 9161362 HHMILKFLHGYWRD-QGOAFFKASA-N 428.901 4.041 10 40 IICB COc1ccc(N(C)CN2C(=O)/C(=C\c3ccc(OC)c(OC)c3)SC2=S)cc1 16188562 YUYDCXKFKONCQW-XDHOZWIPSA-N 430.551 4.008 10 40 IICB CCOc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)C(=O)NC2=S)c1 32193994 KUTNZIKYPBYOPU-UYRXBGFRSA-N 436.464 4.316 10 40 IICB Cc1ccc(C(=O)Oc2ccc(Cl)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 35353064 UVNUXJQNJOYRDP-ZHZULCJRSA-N 432.863 4.329 10 40 IICB Cc1cc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1N(C)S(C)(=O)=O 222484422 XXWHTMYXYHAYLO-LJQANCHMSA-N 443.613 4.118 10 40 IICB CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c1C 408964799 FAKJMRYINBVXIV-XMHGGMMESA-N 431.467 4.462 10 40 IICB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)o1 409246400 HUQHTWHCXIAYHY-LDADJPATSA-N 446.484 4.093 10 40 IICB COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C)SC4=NC3=O)c2C)cc1Cl 41108123 ZHGDIISPDQOUMR-UJNQTBGZSA-N 427.917 4.395 10 40 IICB CN1C(=O)C(=Cc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)C(=O)N(C)C1=S 59139429 ASXCHBCYOHZSPT-UHFFFAOYSA-N 435.332 4.171 10 40 IICB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(Cn2cnnc2)cc1 112296480 WWVYESAKTYFLEW-JWGURIENSA-N 445.483 4.123 10 40 IICB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(O)cc1 223310600 PXIPAMRCSLBGCL-NKKJXINNSA-N 448.592 4.346 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C\N=c3c4ccccc4[nH]c4ccccc34)C2=O)cc1C 408537090 ZCGQPCQMDUIFMF-XSFVSMFZSA-N 436.471 4.006 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Cl)cc1OC 408898952 NJBKQQFUHKGSEV-RIYZIHGNSA-N 435.263 4.067 10 40 IICB CCOc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1C(C)C 409174892 VGTDGYIZEIILRQ-QGOAFFKASA-N 438.549 4.357 10 40 IICB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409332780 RCXOVFAVDLVWDM-WQRHYEAKSA-N 430.507 4.404 10 40 IICB COc1ccc2c3c(n(C[C@H](c4ccco4)N(C)C)c(=O)c2c1OC)-c1ccccc1C3=O 604405648 UBWOFBQXAFQWIM-GOSISDBHSA-N 444.487 4.126 10 40 IICB biogenic CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 2632121 XNOGELSPCRQMKD-UHFFFAOYSA-N 440.471 4.395 10 40 IICB CCOC(=O)c1c(CSc2ccccc2)n(C)c2ccc(O)c(CN3CCOCC3)c12 20437105 MOYCVQNAQRFXAY-UHFFFAOYSA-N 440.565 4.185 10 40 IICB CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1c1ccc(N(C)C)cc1 20802755 KOHXXMVTZUMICC-XZOQPEGZSA-N 448.567 4.264 10 40 IICB CCOc1ccc2ccccc2c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCOCC1 22664764 MWXIZNVJLIHFSW-DEOSSOPVSA-N 447.579 4.108 10 40 IICB Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)c1 41084190 BVDDWNPRFNPZJM-YHRCQRQKSA-N 440.532 4.465 10 40 IICB CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 100799221 PQYFAIATJQQAJU-ZRBLBEILSA-N 447.922 4.457 10 40 IICB CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3ncnn32)cc1 21089789 UEQIRNYHFNBHKD-JOCHJYFZSA-N 432.528 4.061 10 40 IICB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OCc1ccc(Cl)cc1 35339593 DLGWILHDROFAHF-UYRXBGFRSA-N 449.850 4.289 10 40 IICB Cc1cccc(COc2ccccc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1 408871495 GWXILCXAQRHMTR-QNGOZBTKSA-N 428.513 4.405 10 40 IICB O=C1/C(=C/c2ccco2)SC(=S)N1CCC(=O)N1CCCC[C@H]1c1cccnc1 8995806 PKAJEVRUMGRTJD-XIDKLXSXSA-N 427.551 4.020 10 40 IICB biogenic CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3Cc3ccc(Cl)cc3)C2=O)cc1 9428370 HGFLAVOOYIRUOD-STZFKDTASA-N 433.895 4.419 10 40 IICB Cc1ccc(OCCOCCOc2ccc(/C=C3\SC(=S)NC3=O)cc2)cc1C 9659611 OZWNNQHGNFIWBJ-ZHZULCJRSA-N 429.563 4.267 10 40 IICB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)cc1 27572128 WGVMIZPFGGJCKW-LPYMAVHISA-N 446.482 4.073 10 40 IICB Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)c2C)c1C 223620256 IPFZXDCSKFOXBH-ZEQRLZLVSA-N 434.609 4.461 10 40 IICB CCOC(=O)COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OC 409214204 WPSUMASJWQZDTC-PDGQHHTCSA-N 429.519 4.043 10 40 IICB COc1ccc(CN(Cc2ccncc2)Cc2ccc(N3CCOCC3)cc2)c(OC)c1 13989842 IGZMFKZYQVVWLE-UHFFFAOYSA-N 433.552 4.138 10 40 IICB CC(=O)[C@@H]1[C@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccc(C)cc3N12 16001004 OFCMPHRWWYSXAE-CCDWMCETSA-N 434.495 4.412 10 40 IICB CCS(=O)(=O)Nc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 218641384 AGUIBRMUGUHOAM-QZTJIDSGSA-N 429.586 4.176 10 40 IICB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccccc4F)c3C)C2=O)cc1 408982583 IBILVRQSKMXERN-ZHZULCJRSA-N 431.467 4.462 10 40 IICB Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3F)C(=O)NC2=S)c(C)c1 409138595 FEHTZGKZUWTQJV-CPNJWEJPSA-N 437.540 4.264 10 40 IICB CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCCC3)c3ccccc23)SC1=S 409138903 JNCBVXZWGVSJPV-UYRXBGFRSA-N 427.595 4.265 10 40 IICB CN(C)c1ccc(/C=C/[C@@]23NC(=O)CN2c2ccc(Br)cc2C3(C)C)cc1 9108739 KGZUVUNFFZRBDN-VDZCTEQFSA-N 426.358 4.152 10 40 IICB CCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OCC 21270752 CUCMUGPAXRCPQP-RGEXLXHISA-N 442.562 4.420 10 40 IICB COc1ccc(/C=C2/SC(=S)N(c3cc(C(=O)O)ccc3C)C2=O)c(OC)c1OC 35040691 KNUYISNLGCBQEB-MHWRWJLKSA-N 445.518 4.125 10 40 IICB Cc1cccc(COc2c(Cl)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc2Cl)c1 59139451 LWOJVNQTMAWKKO-UHFFFAOYSA-N 449.359 4.480 10 40 IICB COc1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)c(OC)c1 85876171 RGKSBSOLVBJTFI-UHFFFAOYSA-N 435.436 4.300 10 40 IICB biogenic Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1Cl 223616731 ILOJPUKLDVVXIQ-YADHBBJMSA-N 441.000 4.497 10 40 IICB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1Cc1cccc(F)c1 408865123 BAAJQDLAANTRPJ-STZFKDTASA-N 446.503 4.256 10 40 IICB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(N2CCCCC2)c(F)c1 409241878 ZDSHUALJYNNEQS-NTCAYCPXSA-N 443.931 4.301 10 40 IICB CCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc(C)cc4)cc3)C(=O)N=C2S1 9679086 DHQLOORBHTZDEL-VKXGLNTFSA-N 434.521 4.482 10 40 IICB O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NCCc1ccccc1 12276179 IEMOUWUOGIXQRB-JXAWBTAJSA-N 430.982 4.290 10 40 IICB Cc1cc(NS(=O)(=O)c2ccccc2)c(C(C)C)c(S(=O)(=O)c2ccccc2)c1O 26786843 PNKUIVAXEOXWFJ-UHFFFAOYSA-N 445.562 4.458 10 40 IICB COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1 223327703 PJWQKIBCFCJRNW-ZTCOLXNVSA-N 448.592 4.341 10 40 IICB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1ccc(Oc2cccc(Cl)c2)cc1 408547045 HMUDNBHHPSLNNP-UNOMPAQXSA-N 437.839 4.300 10 40 IICB CCOc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OCC 408850532 BLZGUNOVYKUYBP-LICLKQGHSA-N 442.899 4.421 10 40 IICB CC(C)COc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O 409056533 MQJVPKUJYYIFGO-LZYBPNLTSA-N 449.290 4.400 10 40 IICB Cc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 12032336 PJNFNFARMQAOLX-XDHOZWIPSA-N 440.546 4.344 10 40 IICB CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1I 13895504 QQGBEZPMDNEKBF-LFIBNONCSA-N 432.261 4.496 10 40 IICB O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\C=C\c2ccc([N+](=O)[O-])cc2)SC1=S 32709479 LAVLUVFDSPKJCP-WRHWEHACSA-N 440.502 4.048 10 40 IICB O=C1c2cccc(N=S3(=O)CCCC3)c2C(=O)c2cccc(N=S3(=O)CCCC3)c21 85409346 IRMYLBMIECHACQ-UHFFFAOYSA-N 442.562 4.249 10 40 IICB Oc1ccc(C2=NN3[C@H](c4ccncc4)Oc4ccc(Br)cc4[C@H]3C2)c(O)c1 102829016 DNRVDJJKJFVXHV-NQIIRXRSSA-N 438.281 4.498 10 40 IICB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 408875929 MLICKGYYELVEIJ-UHFFFAOYSA-N 441.723 4.140 10 40 IICB Cc1cc(C)cc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1 408887787 UGVQUZOTFMJOPQ-HYARGMPZSA-N 442.471 4.254 10 40 IICB COC(=O)Cc1c(C)c2ccc(O)c(CNc3ccc(OC(F)(F)F)cc3)c2oc1=O 9061169 XFUZMWXOOVRXOF-UHFFFAOYSA-N 437.370 4.033 10 40 IICB CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1I 9322979 QQGBEZPMDNEKBF-WJDWOHSUSA-N 432.261 4.496 10 40 IICB C[C@H](NC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 9703750 FYXWOPXHTAPNMW-AWEZNQCLSA-N 447.874 4.150 10 40 IICB N=C1S/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N1c1ccc2c(c1)OCO2 15723324 ARXKWYLPICNGDP-ZSJQBNEXSA-N 434.429 4.429 10 40 IICB Cc1cccc(C(=O)Oc2ccc(Cl)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 35387455 ORXXPISRPSEOLC-ZHZULCJRSA-N 432.863 4.329 10 40 IICB COc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1C 96234377 ZSTINZDMOFUOIV-UKTHLTGXSA-N 435.332 4.450 10 40 IICB Cc1cccnc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C 223233681 KKTWTYZQAFVIAK-DHIUTWEWSA-N 448.640 4.117 10 40 IICB CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)NCc2ccco2)cc1 16009687 FYROFDDOQGUHHL-LGPLSSKUSA-N 439.600 4.110 10 40 IICB COc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)cc1 41076256 KTLZIVWTJLVAPU-JRCZNVDKSA-N 441.516 4.348 10 40 IICB COc1ccc(N2CCN(c3ncc(-c4ncc[nH]4)c(-c4ccc(F)cc4)n3)CC2)cc1 57761933 LCTQSFCVGKTXDT-UHFFFAOYSA-N 430.487 4.008 10 40 IICB Cc1c(Cl)cccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3O)[C@H]2C1=O 102722815 OBCHLMTVSZBEEC-BHIFYINESA-N 434.879 4.405 10 40 IICB CN(C)c1ccc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 110422818 NMLWTSXVVCPORR-VXLYETTFSA-N 441.622 4.201 10 40 IICB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccc1F 223266881 VJFBZWXWYVVCBC-DHIUTWEWSA-N 437.588 4.162 10 40 IICB CCc1cccc2c(/C=C3\SC(=S)N(C)C3=O)cn(CC(=O)NC3CCCC3)c12 409148375 YUCSEOLMTNZQSU-WQRHYEAKSA-N 427.595 4.094 10 40 IICB COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc(N(C)C)cc1 638424 CSIDXEPMIDTVGP-PDGQHHTCSA-N 426.900 4.292 10 40 IICB CCc1ccc(NC2=NC(=O)/C(=C3/C(=O)Nc4ccc(Br)cc43)S2)cc1 8821925 ZIQWVFIIZVEPIG-NXVVXOECSA-N 428.311 4.416 10 40 IICB O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 33335839 MZWXOLZNCYVWAH-MHWRWJLKSA-N 443.242 4.413 10 40 IICB Cc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1ccccc1F 33775527 ZAFDDZDGKWXIIV-DBMOPCSYSA-N 435.406 4.415 10 40 IICB COc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1 408574371 MBRZXAOBILSSSZ-UNOMPAQXSA-N 442.562 4.322 10 40 IICB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1OC 408810792 QAIYWLLGSQTRPL-MHWRWJLKSA-N 428.872 4.112 10 40 IICB COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1c(F)cccc1Cl 409061430 XBJBLVVAKZHMFB-PTNGSMBKSA-N 431.847 4.374 10 40 IICB COc1ccc(/C=C2/C(=O)N(c3ccc(I)cc3)N=C2C)cc1OC 8496946 WZZHSOYVPKRTPQ-MHWRWJLKSA-N 448.260 4.115 10 40 IICB COc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)C2=O)c1 9459451 ZAMQTVWRUPEHFR-XKZIYDEJSA-N 429.476 4.078 10 40 IICB Cc1cc(C(=O)COc2c(CO)cc(F)cc2CO)c(C)n1-c1ccc(OC(F)F)cc1 12522366 RSWPPYWFVLHFKZ-UHFFFAOYSA-N 449.425 4.081 10 40 IICB CCc1ccccc1N1C(=O)/C(=C/c2cc(F)c(N3CCCC3)cc2C)C(=O)NC1=S 107803083 PEFWFJWFLOIVSC-QGOAFFKASA-N 437.540 4.128 10 40 IICB CCOC(=O)Cn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2ccccc21 409137310 WWUDWTIYJDHQHB-ZDLGFXPLSA-N 426.519 4.199 10 40 IICB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc2ccccc2c1 409228221 WBPTWLBKZQWTCH-OEAKJJBVSA-N 436.471 4.309 10 40 IICB COc1ccc(-c2cc(=O)oc3c(CNCc4ccc(OC)c(OC)c4)c(O)ccc23)cc1 8769841 SBEADWVAHJCXII-UHFFFAOYSA-N 447.487 4.481 10 40 IICB biogenic Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)c(C)n1-c1ccccc1 8897527 IWGKOHRECHRLNZ-HHHXNRCGSA-N 441.531 4.233 10 40 IICB COc1ccc(N2CCN(C(=O)c3cc(Cl)c(OCC(C)C)c(OC)c3)CC2)cc1 9509554 WGVQLMBBPUJRCL-UHFFFAOYSA-N 432.948 4.354 10 40 IICB COc1ccc(N2CCN([C@H](c3ccccc3)c3nnnn3C3CCCCC3)CC2)cc1 13503726 OOCBWJCGVDUXGU-XMMPIXPASA-N 432.572 4.099 10 40 IICB COc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)ccc1OCc1ccc(C)cc1 1281964 HZWOAPJQURMERP-KVMVOAJRSA-N 443.546 4.257 10 40 IICB O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)N1CCC(c2ccccc2)=N1 11642182 WZAXLAOFCIMCKB-OAQYLSRUSA-N 446.576 4.458 10 40 IICB CCOc1cc(/C=C2/C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)ccc1O 13510486 KWBHEQRVPLZDLG-HUHIGAQKSA-N 438.534 4.301 10 40 IICB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cccc(Br)c1 17095697 BDVZRUUNVNENCX-UYRXBGFRSA-N 428.286 4.101 10 40 IICB CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 17971952 PQYFAIATJQQAJU-ZLNRFVROSA-N 447.922 4.457 10 40 IICB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cc2)c1C 223687379 LTVVRXNQBDTEPS-DNQXCXABSA-N 448.592 4.333 10 40 IICB Oc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccncc2)c(O)c1 10215386 DNRVDJJKJFVXHV-WIYYLYMNSA-N 438.281 4.498 10 40 IICB COc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@H]2c2ccc(N(C)C)cc2)cc1 15413477 XOQRFMWCUMCNCG-AREMUKBSSA-N 443.547 4.499 10 40 IICB COc1ccc(N2CCN(C(=O)c3ccc(COc4ccccc4)cc3)CC2)c([N+](=O)[O-])c1 19894084 YTCPVZFSEAOTRQ-UHFFFAOYSA-N 447.491 4.145 10 40 IICB O=C(NCc1ccc(N2CCCC2)cc1)c1cc(-c2ccc(Br)cc2)[nH]n1 44838962 HAYIHEZMYLLPFI-UHFFFAOYSA-N 425.330 4.369 10 40 IICB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O)Nc1ccccc1 214645670 YKFUPGGWMFJZPA-XDHOZWIPSA-N 448.456 4.320 10 40 IICB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/Nc1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1C 408758157 WECBNPZYHLFOAF-UDWIEESQSA-N 434.431 4.255 10 40 IICB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2)C1=O)Nc1ccc(F)cc1 408875093 CWIQUPYXEAQNCZ-ZHZULCJRSA-N 439.512 4.491 10 40 IICB COc1cc(/C=C2\SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)cc(OC)c1OC 2702121 HKSMMECTIDTHMY-WQRHYEAKSA-N 444.534 4.077 10 40 IICB O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)Nc1ccc2nccnc2c1 9420631 AEZKQMGOCHMWCI-MFOYZWKCSA-N 440.937 4.123 10 40 IICB COc1cc(Br)c(/C=C2\SC(NC3CCCCC3)=NC2=O)cc1OC 9498021 BBXHCUQKGFHKGL-SXGWCWSVSA-N 425.348 4.359 10 40 IICB CCCCN1C(=O)/C(=C\c2ccc3c(c2)CCCN3Cc2ccccc2)C(=O)N=C1S 102566503 SJSYZGWBIDLWLU-PGMHBOJBSA-N 433.577 4.478 10 40 IICB Cc1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCCC4)C3=O)c2C)c1C 205852936 MSQAGWKPJKPUBC-FYJGNVAPSA-N 437.565 4.370 10 40 IICB Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 3123189 YJTGQKYNIMTIJJ-UHFFFAOYSA-N 436.942 4.250 10 40 IICB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N2CCCc3ccccc32)C1=O 8819323 AQJQOIXRUSVLAZ-HKWRFOASSA-N 438.574 4.266 10 40 IICB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc2c1C(=O)c1ccccc1C2=O 14021345 HEQXKLLNDTUADG-UHFFFAOYSA-N 443.499 4.160 10 40 IICB O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 58246130 YJLKMHQXGMSVDY-YADHBBJMSA-N 426.513 4.163 10 40 IICB CCN(CC)c1ccc(N/C=C2/C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 102414196 SWZWHLBRLNYVTB-AQTBWJFISA-N 446.429 4.130 10 40 IICB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1ccccc1O 223227484 BICDWLQZZDIIIV-ZEQRLZLVSA-N 449.624 4.119 10 40 IICB CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@H](CC)N32)ccc1N1CCOCC1 260755840 BVMRVIINSYDKQB-OFAXGOBFSA-N 438.597 4.296 10 40 IICB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cccc(Br)c1 408582306 CDXDTRLAQMVOFC-BOPFTXTBSA-N 443.253 4.235 10 40 IICB COCCCN1C(=O)/C(=C2\C(=O)N(Cc3ccc(C)cc3)c3ccccc32)SC1=S 2509025 QECKEMOMIXWTCO-FMQUCBEESA-N 438.574 4.150 10 40 IICB Cc1cccc(N2C(=O)/C(=C/c3cc(Br)c(N(C)C)o3)C(O)=NC2=S)c1C 59104897 INOOCZNXVDESDV-MDWZMJQESA-N 448.342 4.397 10 40 IICB COc1cc([C@@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)ccc1O 96113863 SOWHRAGUTSEBIG-AWEZNQCLSA-N 446.411 4.026 10 40 IICB biogenic O=C1/C(=C\c2ccc(I)o2)C(C(F)(F)F)=NN1c1ccccc1 408974353 YFKBCBNYOKXHQD-FLIBITNWSA-N 432.139 4.233 10 40 IICB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCc4ccccc4F)c3)C2=O)cc1 1202336 IPHNRQGIGSLTBJ-KGENOOAVSA-N 446.434 4.080 10 40 IICB Cc1ccccc1N1CCN(C2=NC(=O)/C(=C/c3c[nH]nc3-c3ccccc3)S2)CC1 9357457 BGJZUKQPXNZDLQ-QNGOZBTKSA-N 429.549 4.178 10 40 IICB CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(O)c1 12464634 JJMAQMUHDMNFIU-PDGQHHTCSA-N 428.282 4.422 10 40 IICB COc1ccc2c(/C=C3/SC(=S)N([C@@H](Cc4ccccc4)C(=O)O)C3=O)c[nH]c2c1 13655649 BECPYPHDBTVBQG-JHBOHYQCSA-N 438.530 4.074 10 40 IICB CCOc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1OC 15013458 ZEGDJTDYXSWTKP-DHDCSXOGSA-N 444.940 4.195 10 40 IICB CCOC(=O)c1ccc(-n2c(C)cc(/C=c3/sc4nc5ccccc5n4c3=O)c2C)cc1 32186283 KZXWUELOUYCKOH-HYARGMPZSA-N 443.528 4.041 10 40 IICB CCOC(=O)c1ccc(N2N=C(C)/C(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3)C2=O)cc1 100114312 YKAKKMJHCJQYME-PXLXIMEGSA-N 444.447 4.368 10 40 IICB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC 408818613 XPZVWSZRLNTBQD-NTEUORMPSA-N 449.290 4.457 10 40 IICB CCOC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 409330087 JMGOZVFKRRNVRQ-UYRXBGFRSA-N 442.562 4.100 10 40 IICB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(OCC)cc3)C2=O)cc1 8819084 VZNMKKYBXPRZTH-UYRXBGFRSA-N 442.562 4.324 10 40 IICB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(Br)ccc1O 14414529 NWYMNGNPTGIVGI-BOPFTXTBSA-N 428.282 4.340 10 40 IICB Cc1c(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc2n1Cc1ccccc1Cl 59139717 JMAXHPGBPMBJQN-UHFFFAOYSA-N 437.952 4.250 10 40 IICB COc1ccc(N2CCN(C(=O)c3sc(Nc4ccc(Cl)cn4)nc3C)CC2)cc1 71326442 IIXYFKUHZGTFPC-UHFFFAOYSA-N 443.960 4.215 10 40 IICB COc1ccc(N2CC[C@@H](O)[C@H]([C@H](Nc3ccc4c(c3)CCC4)C3CCOCC3)C2)cc1 257303109 SFUVIYWJCASFAH-ZONZVBGPSA-N 436.596 4.278 10 40 IICB COc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408532689 VGLHECSPVMTCRO-NVNXTCNLSA-N 435.910 4.115 10 40 IICB CCCN1C(=O)/C(=C\c2cccc(OC)c2OC(C)C)C(=O)N(c2ccccc2)C1=S 409015670 PIJYICOTTLELAM-XDJHFCHBSA-N 438.549 4.436 10 40 IICB CCCN1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)OCC)SC1=S 409333678 VDUBYMCFQBMSSY-ZROIWOOFSA-N 444.372 4.002 10 40 IICB COC(=O)[C@H](Sc1ccc(Cl)cc1)[C@H]1SC(=S)N(Cc2ccccc2)C1=O 1567379 SCFYJGSMZBGPRO-HZPDHXFCSA-N 437.995 4.403 10 40 IICB Cc1ccc(C)c(S(=O)(=O)Nc2ccc3c4c(cc(=O)n3C)-c3ccccc3C(=O)c24)c1 3368561 QUWSWNZJGLPHPK-UHFFFAOYSA-N 444.512 4.168 10 40 IICB CCOC(=O)c1c(NC(=O)C[C@H]2Sc3ccccc3NC2=O)sc2c1CC[C@@H](C)C2 16839590 YEGNUNXKEDOQEV-SJKOYZFVSA-N 444.578 4.491 10 40 IICB O=C1N=C(O)N(Cc2ccco2)C(=O)/C1=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 9009622 OLDJNUNUBFGOSR-CIAFOILYSA-N 443.434 4.288 10 40 IICB C[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N1c2cccc3cccc(c23)S1(=O)=O 10113197 DKMBGCPMMXLIGI-SFHVURJKSA-N 449.576 4.044 10 40 IICB CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)c2c1 408782939 IXUBZQHFVULRHV-KGENOOAVSA-N 448.450 4.443 10 40 IICB CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)N2CCCCC2)cc1 6576859 QMTLNFNTCKJVJE-LGPLSSKUSA-N 427.633 4.213 10 40 IICB CCCOC(=O)CCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 8871683 VHWOSZSHVSZVKH-KAMYIIQDSA-N 428.373 4.384 10 40 IICB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(F)cc1 17299679 VVQVKFMTCSQANO-LDADJPATSA-N 437.471 4.204 10 40 IICB CCCN1C(=O)/C(=C\c2csc(N(C(C)=O)c3ccc(OC)cc3)n2)SC1=S 24992652 FGEPMQSEKKQGIZ-MHWRWJLKSA-N 433.580 4.448 10 40 IICB CC(C)N1C(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)SC1=S 408578388 XWMDGTMMRPKDAM-WQRHYEAKSA-N 430.526 4.453 10 40 IICB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c(OCc2ccccc2)c1 408869369 CKKXIDKHYCUIAS-UYRXBGFRSA-N 446.434 4.080 10 40 IICB CCOc1ccc(S(=O)(=O)Nc2cc(Sc3ncn[nH]3)c(O)c3ccccc23)cc1 2685391 NVOQWFABHCSZFK-UHFFFAOYSA-N 442.522 4.014 10 40 IICB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C(=O)N=C2O)cc1 8744431 HFALODXCRSOKPJ-HZHRSRAPSA-N 442.519 4.339 10 40 IICB Cc1ccc(Cn2c(SCC(=O)c3ccc(O)c(O)c3)nc3ccccc3c2=O)cc1 8954268 DLCXCZZIZVEGIR-UHFFFAOYSA-N 432.501 4.139 10 40 IICB COc1ccc(-c2noc(-c3cccnc3N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 8587000 VGMYGHXEGFDHPJ-UHFFFAOYSA-N 443.507 4.142 10 40 IICB O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)Nc3ccc(Br)cc3)ccc21 8438951 ZDDNFNLGBIYBIB-UHFFFAOYSA-N 442.290 4.025 10 40 IICB COc1ccc(N2CCN(C(=O)c3sc4nc5cc(OC)ccc5cc4c3N)CC2)cc1 13503438 YXPIQTAUZNTQRH-UHFFFAOYSA-N 448.548 4.011 10 40 IICB O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 13668975 LONSYGDOXUMICV-UHFFFAOYSA-N 449.576 4.408 10 40 IICB CCOc1cccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)c1OCC(=O)O 409200534 HZMAGHVEHIFSCV-BOPFTXTBSA-N 429.519 4.263 10 40 IICB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1OC 409238614 FBPJLELWLAABTP-YAJBTMAUSA-N 438.549 4.321 10 40 IICB CN1C(=O)/C(=C/c2ccc(-c3ccc(I)cc3)o2)SC1=S 1082843 PWBOKXMTBLQPBL-JYRVWZFOSA-N 427.288 4.382 10 40 IICB Cc1ccc(-c2ccc(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)o2)cc1[N+](=O)[O-] 9058622 IPFMLUHJMNDAHQ-YBEGLDIGSA-N 432.479 4.229 10 40 IICB COc1ccc(N2CCN(C(=O)COc3ccc(C(C)C)cc3Br)CC2)cc1 9721026 XHZCXPWCNPYUFL-UHFFFAOYSA-N 447.373 4.309 10 40 IICB Cc1cccc(C)c1OCCn1cccc1/C=C1\C(=O)N=C(O)N(c2ccc(F)cc2)C1=O 13749879 BTGIOCBBJNGEEQ-RCCKNPSSSA-N 447.466 4.194 10 40 IICB COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccccc1 33702464 YKGPEVGGFCIKAM-MOSHPQCFSA-N 434.879 4.389 10 40 IICB CN(C)c1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1Br 59135693 HCWFKFWUMUCNRB-FMIVXFBMSA-N 448.317 4.326 10 40 IICB CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 59514370 KOWZPTZMDSFXSU-GZTJUZNOSA-N 444.490 4.044 10 40 IICB O=C1NC(=O)C(=Cc2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)C(=O)N1 408810871 KOFOJGMYKCOXFM-UHFFFAOYSA-N 441.270 4.475 10 40 IICB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(OC(C)C)c1 408819069 YAYURVAVROPSKR-OVCLIPMQSA-N 449.290 4.456 10 40 IICB Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C(=O)NC1=S 409224614 IKHZOOXWDFKKGW-SFQUDFHCSA-N 447.472 4.303 10 40 IICB CC1=C[C@@H]2C[C@H](C)CC[C@@H]2[C@](C)(/C(O)=C2\C(=O)NC(CO)=C2O)[C@@H]1/C=C/C=C/C[C@@H](C)O 514288281 AJDLKWSYDPWRCH-NFLTVSCUSA-N 443.584 4.208 10 40 IICB biogenic,in-vitro CCc1cc(=O)oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@H]43)c(O)ccc12 1614474389 NUUXJTHTKTWNJE-ZYOGIXFISA-N 434.580 4.456 10 40 IICB biogenic CC1CCN(c2ccc([C@@H](C)NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)CC1 219219178 PLKFQIDBGGGSJN-LJQANCHMSA-N 441.597 4.089 10 40 IICB CN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(O)cc3)=NN12 10214216 MRMUVQJMZHDEMM-LJQANCHMSA-N 428.330 4.120 10 40 IICB CCOc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 10214546 QIXGUKNPPJHIPW-IBGZPJMESA-N 427.932 4.410 10 40 IICB COc1ccc(CCN2C(=O)/C(=C/c3cccc4nccnc34)SC2=S)cc1OC 13729885 RFHXNPQOHBOOHB-UYRXBGFRSA-N 437.546 4.091 10 40 IICB COc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@@H]2c2ccc(N(C)C)cc2)cc1 15413474 XOQRFMWCUMCNCG-SANMLTNESA-N 443.547 4.499 10 40 IICB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)c2cc(C)n(-c3ccccc3)c2C)C1=O 22493097 WFUBVNKXODBRCQ-SANMLTNESA-N 445.519 4.143 10 40 IICB COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCC(C)C)cc3)SC2=S)cc1 33524185 ZRTRCWWOHRXEFG-UNOMPAQXSA-N 442.562 4.276 10 40 IICB COc1ccc(OC)c(/C=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c1 35039033 VXXQMRZUICEEEW-DEDYPNTBSA-N 445.562 4.165 10 40 IICB CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)NCc2ccco2)cc1 35827662 FYROFDDOQGUHHL-DMDYGQEQSA-N 439.600 4.110 10 40 IICB COc1cc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)cc2c1OCO2 85878312 MDOFSRZXZWDTSA-UHFFFAOYSA-N 449.419 4.020 10 40 IICB biogenic CCc1ccc(N2C(=O)/C(=C/c3cc(F)c(N4CCCC4)cc3C)C(=O)NC2=S)cc1 108994924 LIFGVDKPFMZAIW-CPNJWEJPSA-N 437.540 4.128 10 40 IICB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c1C 408692573 PNFHLDUVGOAFBX-WOJGMQOQSA-N 441.915 4.161 10 40 IICB Cc1cccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)SC2=S)c1 409339188 SPSRVWVHUJDPLC-CPNJWEJPSA-N 441.534 4.146 10 40 IICB O=C(O)c1ccccc1Nc1cc(N2CCOCC2)c2noc3c2c1C(=O)c1ccccc1-3 3742014 PXGBAMLCNWELNV-UHFFFAOYSA-N 441.443 4.318 10 40 IICB CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(F)cc2)S1 32111817 HRSQYDQPWORHHB-RQZCQDPDSA-N 449.301 4.274 10 40 IICB CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc([N+](=O)[O-])c1O 36613160 ULWCMAIWTWADCA-ATVHPVEESA-N 430.507 4.143 10 40 IICB Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1N(C)S(C)(=O)=O 260512323 VYWPFJXGNADCHF-IEBWSBKVSA-N 443.613 4.118 10 40 IICB O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1 409019839 YGJCVLJZHJSJPT-LDADJPATSA-N 425.872 4.101 10 40 IICB COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 409367364 UUEQABNTDKEVSV-WQRHYEAKSA-N 425.506 4.303 10 40 IICB CCN(CC)c1ccc(N/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1 9355039 FYLMMATUOUZNCE-RCCKNPSSSA-N 436.581 4.400 10 40 IICB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C2=C(c3ccccc3)SCCO2)cc1 12324370 TYRIYABKLQBPBX-QFIPXVFZSA-N 438.593 4.392 10 40 IICB Cc1ccc(Cl)c2c1N[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)[C@@H]1CC=C[C@@H]21 13425358 SUCJNZHZRLXGME-DNVFCKCGSA-N 444.984 4.496 10 40 IICB CCOc1cc(/C=C2/C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)ccc1O 13898817 WOHIECLTMZBJRI-HUHIGAQKSA-N 438.534 4.301 10 40 IICB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(Br)ccc1O 14414548 JCNCTUNVERKHKL-BOPFTXTBSA-N 444.281 4.041 10 40 IICB Cc1ccc(N2C(=O)/C(=C3/C(=O)Nc4ccc(Br)cc43)SC2=S)cc1 1800127 YRNPSHRXTHDICY-PFONDFGASA-N 431.336 4.486 10 40 IICB CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)OC)cc4)o3)C(=O)N=C2O)cc1 2409223 CRGDQYFPEVEGJK-XSFVSMFZSA-N 444.443 4.166 10 40 IICB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2ccc(N(C)C)cc2)C(=O)O)n[nH]1 408631197 FZAZLYMAEDXZPT-YVLHZVERSA-N 430.917 4.418 10 40 IICB CCOc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC 408900420 SLADKZMWRJENDF-OQLLNIDSSA-N 449.290 4.457 10 40 IICB CCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)C1=O 409148716 QRZUNYWVDIGZFF-QNGOZBTKSA-N 425.554 4.377 10 40 IICB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1F 409250767 SCJKEYWCKUUMKR-FOWTUZBSSA-N 443.931 4.301 10 40 IICB CSc1cccc(N2C(=O)/C(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)SC2=S)c1 409358625 MRVGNUFXSDHLNT-SOFYXZRVSA-N 432.504 4.451 10 40 IICB COc1ccc(-c2nnc(SCC(=O)c3ccc(O)c(O)c3)n2-c2ccccc2)cc1 1275236 ARCCWIRTDHVJAI-UHFFFAOYSA-N 433.489 4.329 10 40 IICB COc1cc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(=O)N=C2O)cc(Br)c1O 33926127 DLXVONTVAJQKBC-AUWJEWJLSA-N 445.269 4.287 10 40 IICB O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)NC1CCCC1 35624627 DWIAAJSTYNWQTR-PTNGSMBKSA-N 439.400 4.099 10 40 IICB CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(C)c1 225839113 WAOJFQPYICWVER-QGZVFWFLSA-N 427.570 4.056 10 40 IICB CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCC(=O)OC 409330182 KGMJBRSMAZWHIS-ZDLGFXPLSA-N 447.509 4.182 10 40 IICB Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(F)cc1 654369 VVQVKFMTCSQANO-PDGQHHTCSA-N 437.471 4.204 10 40 IICB Nc1ccc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)n2-c2ccccc2)cc1 930579 MLZQJHYBIVENHV-UHFFFAOYSA-N 448.527 4.332 10 40 IICB C[C@H](C(=O)Nc1ccc2oc(=O)ccc2c1)N1C(=O)/C(=C/c2cccs2)SC1=S 9348712 JHZHTICGCAJFBX-FFCYNSPCSA-N 442.543 4.083 10 40 IICB Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3C)[C@H](c3ccc(N(C)C)cc3)[C@H]2C1=O 11907989 HZKSZEJINJBVJV-UBFVSLLYSA-N 441.531 4.421 10 40 IICB O=C(Nc1cccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1)c1ccncc1 58210967 GDHZXEYELNZFFB-JOCHJYFZSA-N 446.507 4.253 10 40 IICB Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)c(C)c1 102708919 OXOJCPIGDKKQKH-DSNGMDLFSA-N 441.531 4.421 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(C)C)c(Br)c3)C2=O)cc1 408799815 LMXUKMIETHWTHM-MHWRWJLKSA-N 443.297 4.211 10 40 IICB CCOc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC 408895713 FHVVCFIBIYPYBT-CXUHLZMHSA-N 428.872 4.031 10 40 IICB CCN1C(=O)/C(=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])SC1=S 409198859 AALOVFRKXKIOQR-ZDLGFXPLSA-N 430.507 4.404 10 40 IICB COC(=O)CN1C(=O)/C(=C/c2cn(Cc3cccc(F)c3)c3ccccc23)SC1=S 409203805 YCUZCEWDFPVXNJ-GRSHGNNSSA-N 440.521 4.203 10 40 IICB O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc(C(=O)O)cc1 1774895 GULPBGYTWVTIST-LFIBNONCSA-N 446.937 4.268 10 40 IICB CCOc1c(Br)cc(/C=C2/SC(NC3CCCC3)=NC2=O)cc1OC 33481572 JSGOIWWHLABMLW-XNTDXEJSSA-N 425.348 4.359 10 40 IICB CC(C)[C@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C/c2cccs2)SC1=S 33582644 DJNVJABGFYWXHZ-XUDLPTGHSA-N 446.619 4.038 10 40 IICB CCN(CC)CCCN[C@@H](CC(=O)Nc1ccc(/N=N\c2ccccc2)cc1)C(=O)O 101090861 UQAQOSKGRVRIAS-UMQBKLLPSA-N 425.533 4.205 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OC(C)C 408801310 VBOCRUWPNQIISZ-MHWRWJLKSA-N 428.872 4.192 10 40 IICB CCN(CC)c1ccc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 408929962 QCQQSNPJBGINMM-CPNJWEJPSA-N 428.330 4.388 10 40 IICB CN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)NC1=S 409147515 ZWXZWAPJULBEFT-PXNMLYILSA-N 444.343 4.253 10 40 IICB O=c1cc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccc(O)c(O)c2o1 19370055 OAUHFVDXKZCKHD-UHFFFAOYSA-N 442.515 4.111 10 40 IICB biogenic COc1cc(OC)c(-n2c(C)cc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)c2C)cc1Cl 20236947 WOIXUNMRZQOWMD-OGUWXHFSSA-N 440.887 4.215 10 40 IICB COc1ccc(CCN2C(=O)/C(=C/c3cnc4ccccc4n3)SC2=S)cc1OC 54361200 JJOWZSVSSHIYEV-NDENLUEZSA-N 437.546 4.091 10 40 IICB COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@@H]4c2ccc(O)c(O)c2)cc1 85875819 LREVLNVNFHRZTI-OAHLLOKOSA-N 446.411 4.026 10 40 IICB biogenic COc1cc(I)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1OC 408903557 ZSCANDFMFBVBCB-MHWRWJLKSA-N 448.260 4.115 10 40 IICB CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/c1ccc(N(C)C)cc1 4092032 LFEZBFXYVDAKDJ-LDADJPATSA-N 431.277 4.163 10 40 IICB Cc1cc(-c2csc(NCc3ccco3)n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 12509316 UULPBEWAOITOLD-UHFFFAOYSA-N 428.539 4.070 10 40 IICB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1ccc(Sc2ccc(Cl)cc2)o1 13660007 BOAPJJHHVFBUAM-YBEGLDIGSA-N 428.853 4.339 10 40 IICB O=C(Nc1nccs1)c1sc2nc(N3CCOCC3)cc(-c3ccccc3)c2c1O 20714113 ZQQQZIADQYAURT-UHFFFAOYSA-N 438.534 4.214 10 40 IICB O=C(COc1ncnc2ccccc12)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 12587485 WFNMHRMECQQRTD-UHFFFAOYSA-N 443.846 4.076 10 40 IICB CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)o2)cc1 408783750 QMVDFWBJVHAUNZ-FYJGNVAPSA-N 428.444 4.432 10 40 IICB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(OC)cc2)C1=O 1417326 SMZFDYCPGXNEMF-NFECSFHCSA-N 442.562 4.419 10 40 IICB CCCCN1C(=O)/C(=C/c2c(NCC(C)C)nc3ccc(C)cn3c2=O)SC1=S 2251087 REWOWSXLIHQCNJ-YBEGLDIGSA-N 430.599 4.072 10 40 IICB COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1 13009813 HUDLKZVIIXLCKO-MFOYZWKCSA-N 449.937 4.213 10 40 IICB CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 18156774 XNHDMZWCNVWVKI-ZRBLBEILSA-N 447.922 4.457 10 40 IICB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccccc1 223742131 WKHKCXLETIJYSG-PKTZIBPZSA-N 434.565 4.106 10 40 IICB Cc1cc(C)c(S(=O)(=O)Nc2cc(SCC(=O)O)c(O)c3ccccc23)cc1C 8683953 NONUKFOJUHFZAO-UHFFFAOYSA-N 431.535 4.448 10 40 IICB COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(OC)cc1OC 14413772 JEQYQRBVDHADER-SXGWCWSVSA-N 431.847 4.374 10 40 IICB CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)cc21 208449159 ZLECOLKGLWCZQS-CPNJWEJPSA-N 431.561 4.458 10 40 IICB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C 223012083 KZUTXKCUUZJZHE-ZEQRLZLVSA-N 449.624 4.174 10 40 IICB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(N2CCCCCC2)o1 409243932 ZDVCGKWIDGAZBN-FYWRMAATSA-N 429.929 4.145 10 40 IICB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c(C)n1-c1cccc(Cl)c1 9469502 NIBUNOGDNFGHKU-RUZDIDTESA-N 447.922 4.324 10 40 IICB CCOc1cc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)N=C2O)cc(Cl)c1OC 16688306 AOXZHWIKGBAFEG-ZSOIEALJSA-N 445.815 4.162 10 40 IICB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)Nc2ccccn2)cc1 103921863 AFQKESOVKJRGMA-QNGOZBTKSA-N 429.436 4.135 10 40 IICB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(O)cc1 223310530 PXIPAMRCSLBGCL-TUACAJSNSA-N 448.592 4.346 10 40 IICB Cc1cc([C@@H]2NC(N)=Nc3nc4ccccc4n32)c(C)n1-c1ccc(Br)cc1 9086763 LBNLQSCGAZIQIH-LJQANCHMSA-N 435.329 4.303 10 40 IICB COC(=O)c1[nH]c2ccc(F)cc2c1/C=C1\SC(=S)N(c2ccc(O)cc2)C1=O 102732142 USVDPVHBQGESLF-SXGWCWSVSA-N 428.466 4.205 10 40 IICB CN(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(OCc2ccc(Cl)cc2)c1 108047794 BRVFIQSMSXBMLC-HMAPJEAMSA-N 447.922 4.446 10 40 IICB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(Cc2cccc(F)c2)c1 408868578 OZIGOSSRNSNARD-HZHRSRAPSA-N 444.462 4.400 10 40 IICB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(CC(=O)N2CCCC[C@H]2C)C1=O 409212336 QBGDPBYVHSWTQA-LCJWNIEWSA-N 427.570 4.033 10 40 IICB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC 408813561 XXKLELVPKZFRNL-CXUHLZMHSA-N 428.872 4.031 10 40 IICB Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 9633773 OGPPZRWLCROHRX-LJQANCHMSA-N 435.549 4.314 10 40 IICB CCN1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccc(O)c(OC)c3)=NN12 10214250 PJBUCHFCRLAKOC-LJQANCHMSA-N 427.932 4.410 10 40 IICB Cc1cc(C(=O)COC(=O)c2ccc(OC(F)F)cc2)c(C)n1-c1ccc2c(c1)OCO2 13145365 QKQUUKDAILVROT-UHFFFAOYSA-N 443.402 4.464 10 40 IICB CC(=O)NCc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 32604194 SSKICHRVLQLASI-UHFFFAOYSA-N 441.578 4.126 10 40 IICB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccc(C)cc1C 41078527 DDVLFBJXEWYUKK-ATUMBRMBSA-N 447.491 4.220 10 40 IICB C=CCOc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 108981449 CGYAGTDRDNWQAU-ZROIWOOFSA-N 433.689 4.129 10 40 IICB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2)c1C 223686634 KPBKVEOYLSCIFT-GOTSBHOMSA-N 434.565 4.025 10 40 IICB COCCCN(Cc1cc2c(C)cc(=O)oc2c(C)c1O)C[C@@H]1CCCN2CCCC[C@H]12 524730251 BHCZOCAGPZUNOC-NZQKXSOJSA-N 442.600 4.218 10 40 IICB biogenic O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)N1CCC(c2ccccc2)=N1 11642170 WZAXLAOFCIMCKB-NRFANRHFSA-N 446.576 4.458 10 40 IICB CN(C)c1ccc([C@H](CNC(=O)c2ccccc2[N+](=O)[O-])N2CCc3ccccc3C2)cc1 36653785 OGSZHSAKCWMMAG-VWLOTQADSA-N 444.535 4.190 10 40 IICB CSc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1NC(C)=O 224950114 KVASLBQAJBMALE-MRXNPFEDSA-N 447.626 4.082 10 40 IICB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1 408803534 QEBZIANNCCJLNG-DEDYPNTBSA-N 448.862 4.291 10 40 IICB Cc1ccnc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c1 408960808 JCAXXXYDUGUCBR-XDHOZWIPSA-N 434.883 4.117 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OC 409148076 YAEXYFLDWJWURH-OQLLNIDSSA-N 444.940 4.195 10 40 IICB COC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1 409329094 COBCVCKSFCNFKV-MFOYZWKCSA-N 449.937 4.306 10 40 IICB CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)o2)cc1 687267 DHMSNEDKEGYFFS-CPNJWEJPSA-N 430.485 4.289 10 40 IICB Cc1nnc(NC(=O)CCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)s1 8820516 BMPBJKCHEXIJPY-LFKWHJGZSA-N 430.580 4.023 10 40 IICB O=C(Nc1cccc(Cl)c1)c1ccc2c(c1SCCO)C(=O)c1ccccc1C2=O 15240710 FWQOERBDOUAYKQ-UHFFFAOYSA-N 437.904 4.452 10 40 IICB O=C1CCC(=O)N1CCSc1ncc(-c2ccc(Cl)cc2)n1Cc1ccccc1 31444390 OGMGXPJFWOKEBI-UHFFFAOYSA-N 425.941 4.493 10 40 IICB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NCc2ccco2)cc1 112292981 HWMKUGDLVJCHSB-QNGOZBTKSA-N 432.436 4.011 10 40 IICB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3ccccc3)C2=O)cc1 408989507 KXFYHJQYYFXDBO-JWGURIENSA-N 426.472 4.494 10 40 IICB CN(C)Cc1c(O)ccc2c(-c3cc4cc(Br)ccc4oc3=O)cc(=O)oc12 2129122 YINFMRAMOMNGQI-UHFFFAOYSA-N 442.265 4.096 10 40 IICB biogenic Cc1cc(N2CCCCC2)ccc1/C=C1\SC(=O)N(CC(=O)N2CCCCC2)C1=O 33787292 SRJPCOQAOQABCN-HKWRFOASSA-N 427.570 4.034 10 40 IICB CN1c2ccccc2C(c2ccccc2)=C(C(=O)N2CCCc3ccccc32)S1(=O)=O 219181280 HSPZXHNDAMHYOF-UHFFFAOYSA-N 430.529 4.205 10 40 IICB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C 223012215 KZUTXKCUUZJZHE-BJKOFHAPSA-N 449.624 4.174 10 40 IICB COc1ccc(N2CCN(C(=O)c3ccc(OC)c(COc4ccccc4)c3)CC2)cc1 224091214 QJCZIEPROFCZEH-UHFFFAOYSA-N 432.520 4.245 10 40 IICB Cc1c(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cccc1N(C)S(C)(=O)=O 260512423 WPKAYSRLFKEDFH-IEBWSBKVSA-N 443.613 4.118 10 40 IICB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 409024922 YYCTVFBGLXRWQB-ODLFYWEKSA-N 437.492 4.206 10 40 IICB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)cc1 637634 GUBXMYPVOOVIDY-CPNJWEJPSA-N 449.507 4.073 10 40 IICB COc1ccc(N2CCN(c3nc(C)c4c(n3)C[C@H](c3cccs3)CC4=O)CC2)cc1 9264493 HHXIEAYWPFHVJC-KRWDZBQOSA-N 434.565 4.094 10 40 IICB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCOc1ccccc1OC 103918636 KYSDOQWDAVSGMI-JWGURIENSA-N 438.484 4.049 10 40 IICB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2O)C1=O 409044953 DUCDAZINYRNRTA-LFYBBSHMSA-N 425.655 4.327 10 40 IICB CCN1CCN(Cc2cc(C)n(-c3cccc(C)n3)c2C)CCOc2ccccc2CC1=O 643568892 OHHZXKKUGNPHTN-UHFFFAOYSA-N 446.595 4.083 10 40 IICB O=C(NN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)c1ccc(Br)cc1 1830774 NDKWUEPTXMSQSJ-ZROIWOOFSA-N 437.315 4.134 10 40 IICB CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1ccc(C(=O)O)c(O)c1 20036779 JEKWLXZPWDUEGU-DHDCSXOGSA-N 444.285 4.188 10 40 IICB Cc1ccc(-n2cnnc2SCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 26417460 YZFJRPOYUPOQNB-UHFFFAOYSA-N 435.597 4.317 10 40 IICB Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1N(C)S(C)(=O)=O 222484507 AWRIGEXSHKAUHL-MJGOQNOKSA-N 443.613 4.118 10 40 IICB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OC 408902823 RSQRZUSYWPESKE-OQLLNIDSSA-N 448.260 4.115 10 40 IICB Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C2=O)cc1 409016871 AQNUCCVJRYIRCB-UCQKPKSFSA-N 442.519 4.242 10 40 IICB O=C(/C=C/c1ccccc1)Oc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 409410621 YREGLORROBTUHI-ODKHDCHRSA-N 444.874 4.420 10 40 IICB CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(C)c3)C(O)=NC2=S)cc1 33761228 FMDKFIKGSJBBGR-HMMYKYKNSA-N 435.549 4.066 10 40 IICB Cc1ccnc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)c1 223233494 REOBKNNGZHIFTL-RPWUZVMVSA-N 448.640 4.117 10 40 IICB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccn1 223526537 WLCYIHROZKCFJM-ZEQRLZLVSA-N 440.576 4.452 10 40 IICB C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S 10232792 OZHAEYSYUMWGOQ-DPVXPKBMSA-N 438.870 4.183 10 40 IICB O=C1/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)SC(=S)N1c1ccccc1F 29493018 UNRAFNYYUNECNK-MHWRWJLKSA-N 436.511 4.224 10 40 IICB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/NC1=CC=C[C@H]2C(=O)c3ccccc3C(=O)[C@@H]12 95471125 AAUDKFJWTSXTGY-UYUXOBFHSA-N 437.499 4.265 10 40 IICB CCOc1ccc(N2C(=O)/C(=C/[C@H]3C(=O)N(c4ccccc4)N=C3C)SC2=S)cc1 102616618 NMGBCVZMTCOMBW-ZJYZBMPFSA-N 437.546 4.373 10 40 IICB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NCc2ccccc2)cc1 112291554 CNSLSJUFKRMVAJ-QJOMJCCJSA-N 442.475 4.418 10 40 IICB CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)c2C)cc1 408781860 FMTLBAZTXFELAL-HZHRSRAPSA-N 443.503 4.468 10 40 IICB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OCc1ccccc1 408900152 RSWBQITXYOVSGF-KGENOOAVSA-N 442.471 4.249 10 40 IICB O=C1NN(c2ccccc2)C(=O)/C1=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21 8856069 FHBFHZPQJBXDGB-IZHYLOQSSA-N 445.478 4.218 10 40 IICB CCN(CC)c1ccc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)cc1 9187969 PJXUQTLKBZBBAI-XLNRJJMWSA-N 438.572 4.464 10 40 IICB Cn1c(=O)c2c(-c3ccc(-c4ccccc4)cc3)c3c(nc2n(C)c1=O)-c1ccccc1C3=O 44974132 VEGXPSBYKPYEAL-UHFFFAOYSA-N 445.478 4.178 10 40 IICB O=C(Nc1cccc(F)c1)c1ccc(N2CC[C@@H](NCc3cc(Cl)ccc3O)C2)nc1 49421012 XWDMYFQZOWCCIP-HXUWFJFHSA-N 440.906 4.201 10 40 IICB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(Br)cc1 112295660 UACWUOAPMMRWLY-UNOMPAQXSA-N 446.276 4.240 10 40 IICB CC1=C[C@@H]2C[C@H](C)CC[C@@H]2[C@](C)(/C(O)=C2\C(=O)NC(CO)=C2O)[C@H]1/C=C/C=C/C[C@@H](C)O 514288278 AJDLKWSYDPWRCH-BXOAECRPSA-N 443.584 4.208 10 40 IICB biogenic,in-vitro CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(O)c(CN5CCCCC5)c4)OCC[C@@]31C2 585261207 IOXZNTUEOZWGFW-SYOGCCDTSA-N 426.601 4.397 10 40 IICB COc1ccc2[nH]cc(/C=C3\SC(=S)N([C@@H](Cc4ccccc4)C(=O)O)C3=O)c2c1 9485182 UEEILFGJBHVNAT-LTUPMRBCSA-N 438.530 4.074 10 40 IICB COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1ccccc1 9660111 JRBOUPFKCVELTH-UNOMPAQXSA-N 442.562 4.322 10 40 IICB CN(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 32666255 UNWMZQIMVQKCPK-QHCPKHFHSA-N 446.463 4.156 10 40 IICB Cc1ccccc1-n1cccc1/C=C1/C(=N)N2N=C(COc3ccccc3)SC2=NC1=O 41108047 PQBWWNKAFOCRLX-ZQFCNSAKSA-N 441.516 4.484 10 40 IICB CCc1ccccc1N1C(=O)/C(=C/c2cc(Br)c(N(C)C)o2)C(O)=NC1=S 59104531 LIQHDXNSGHUAHB-UKTHLTGXSA-N 448.342 4.342 10 40 IICB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c1C 222745852 DWNVILYLSIBRLN-NHCUHLMSSA-N 437.525 4.008 10 40 IICB CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2ccc(C)cc2)SC1=S 256055847 WIKFFFHPYWBPPQ-GXYBQNOFSA-N 426.563 4.283 10 40 IICB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c(C)n1-c1ccccc1 3347735 FAMGFVVNTLXTDW-SANMLTNESA-N 427.504 4.060 10 40 IICB Cc1ccccc1OCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc21 5098713 IAIFWMWIKBLFOB-RUZDIDTESA-N 429.564 4.360 10 40 IICB CCOC(=O)c1oc2nc3sc(C(=O)OCC)c(N)c3c(-c3ccccc3)c2c1N 8863747 AWJYEISDFKYOIJ-UHFFFAOYSA-N 425.466 4.227 10 40 IICB CCCCN1C(=O)[C@@H](C(=O)OCC)[C@@H](c2ccc(N(C)C)cc2)n2c1nc1ccccc12 20638378 HBICVMPCZMERBY-FCHUYYIVSA-N 434.540 4.018 10 40 IICB CCOc1cc(/C=C2\SC(Nc3cccc(C)c3C)=NC2=O)ccc1OCC(=O)O 33382621 SSVIYVDIIFSUQJ-ODLFYWEKSA-N 426.494 4.248 10 40 IICB COc1ccc([C@@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc1 96114094 PDRHDYOOTFTDAG-INIZCTEOSA-N 430.412 4.321 10 40 IICB biogenic O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\NCc1ccc(Cl)cc1 102908573 DIGGYBWAVKHZFI-LCYFTJDESA-N 440.739 4.068 10 40 IICB Cc1ccc(-n2c(C)cc(/C=C3\NC(=O)N(CC(=O)Nc4ccccc4F)C3=O)c2C)cc1 409210728 KTZOSQAUZKGKOO-XKZIYDEJSA-N 446.482 4.073 10 40 IICB CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)N2CCCCC2)cc1 4301895 QMTLNFNTCKJVJE-AFESJLNVSA-N 427.633 4.213 10 40 IICB Cc1cc(C(=O)CSc2nnc(-c3cccnc3)o2)c(C)n1-c1ccc2c(c1)OCCO2 8862494 BOKPFOSYTQSHSV-UHFFFAOYSA-N 448.504 4.285 10 40 IICB O=C(CN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)NCCc1c[nH]c2ccccc12 9253431 QWNWOBZYKBYDSC-XZHCKZKCSA-N 447.585 4.284 10 40 IICB COc1cc([C@H](c2ccc3c(OC)cccc3c2O)N2CCOCC2)cc(OC)c1OC 13682076 SSFIEIOTSKJDQZ-HSZRJFAPSA-N 439.508 4.001 10 40 IICB Cc1ccc(Sc2ccc(/C=C3/C(=N)N4N=C(N5CCCC5)SC4=NC3=O)o2)cc1 41084898 PBEJTPRRTYCLOA-DXGGMCDASA-N 437.550 4.412 10 40 IICB O=C(CCCCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1cccc2nonc12 9429713 LTVDOHIUYSUMGD-VBKFSLOCSA-N 442.522 4.216 10 40 IICB CCOc1cc(/C=C2/SC(Nc3ccc(Cl)cc3)=NC2=O)ccc1OCC(=O)O 16916254 MIJHHBHLJKMLFG-LICLKQGHSA-N 432.885 4.285 10 40 IICB O=C(O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4ccc(F)cc4)C(=S)N=C3O)o2)c1 17159588 BXDQZCAUWFWBRT-BOPFTXTBSA-N 436.420 4.456 10 40 IICB CC[C@@H](C)Oc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1Cl 19877605 JPEMFESXJMJHJY-YUSFRKCESA-N 432.904 4.488 10 40 IICB O=C1/C(=C/c2cc3ccccc3nc2N2CCOCC2)SC(=S)N1Cc1ccccc1 20310809 MKWXLAKWKAIETD-QNGOZBTKSA-N 447.585 4.473 10 40 IICB COc1cc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] 219827470 PSDALHOBNNXFIM-IAGOWNOFSA-N 427.501 4.096 10 40 IICB COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)NC1=S 409173308 OTUHDECHMPJIAQ-FOWTUZBSSA-N 438.892 4.440 10 40 IICB COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccccc3C)c2C)C(=O)NC1=S 409175310 ZYDIMLKKEIKKCK-XMHGGMMESA-N 445.544 4.242 10 40 IICB CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)c2C)cc1 409186840 IMYFJUDTFHRBEY-PXLXIMEGSA-N 429.476 4.159 10 40 IICB COc1c(I)cc(/C=C2\C=C(c3ccccc3)OC2=O)cc1[N+](=O)[O-] 832386 SIGDADFEUGXTIS-NTUHNPAUSA-N 449.200 4.189 10 40 IICB O=[N+]([O-])c1cc(Cl)c(O)c(/N=N/c2cc(S(=O)(=O)O)c3cccc4[nH]nnc2c43)c1 4705987 DCOVSEQSTYJJGF-VHEBQXMUSA-N 448.804 4.040 10 40 IICB Cc1cc(C)cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)c2C)c1 9469388 WAYPTTJCXOTJDQ-HHHXNRCGSA-N 441.531 4.287 10 40 IICB COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NC[C@H]2CCCO2)cc1 19647719 YWYVEMBZYCRXLA-AFDUHFSSSA-N 448.548 4.098 10 40 IICB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C(=O)O)ccc2C)c1C 222791876 KCEICYKPYNNIDU-VXKWHMMOSA-N 434.565 4.488 10 40 IICB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCCC1 408529214 HGEORWMUOJFCSK-VBKFSLOCSA-N 436.903 4.241 10 40 IICB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)OC 408903317 XFCKFGHJTLCUOM-LDADJPATSA-N 429.519 4.043 10 40 IICB COCCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C(C(=O)OC)=C1C 2185487 VCCZUVOUSMLDJI-STZFKDTASA-N 442.943 4.457 10 40 IICB O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccccc2)N1c1ccc(S(=O)(=O)O)cc1 12376067 KMKRTXXWDHACKU-XSFVSMFZSA-N 438.892 4.421 10 40 IICB O=C1C(=C/C=C/c2ccc([N+](=O)[O-])o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 16488470 JGPQYIZGGANBQE-KPKJPENVSA-N 445.456 4.492 10 40 IICB CCN(CC)c1ccc(CNC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cc1 225781536 NOFIDHODWPPOAR-UHFFFAOYSA-N 437.565 4.264 10 40 IICB COC(=O)c1cc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1Cl 225838847 RCOLXGLPTVKVJP-CQSZACIVSA-N 433.961 4.011 10 40 IICB CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1Br 408984543 IWAGZYURTRIZKP-WJDWOHSUSA-N 443.297 4.077 10 40 IICB CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc1 409334145 VOMJTROCKIXQNG-LDADJPATSA-N 429.519 4.043 10 40 IICB Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3C)[C@@H](c3ccc(N(C)C)cc3)[C@H]2C1=O 11907990 HZKSZEJINJBVJV-DSNGMDLFSA-N 441.531 4.421 10 40 IICB Cc1nc([C@H]2CCCCN2Cc2ccc(N3CCCCC3)cc2F)ncc1C(=O)N(C)C 19765576 DJARBEMGTRKKJA-HSZRJFAPSA-N 439.579 4.343 10 40 IICB COc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)ccc1OCc1cccc(C)c1 40937751 AFBKMMWASUHTSA-XDHOZWIPSA-N 443.546 4.259 10 40 IICB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccn1 223526388 WLCYIHROZKCFJM-DNQXCXABSA-N 440.576 4.452 10 40 IICB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 8721534 UZBKFXNAPWWUJW-WJDWOHSUSA-N 443.843 4.303 10 40 IICB C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1C(=O)/C(=C\c2cccs2)SC1=S 9348083 DOIQIEBTJCEUTF-FHXOWUIVSA-N 441.603 4.178 10 40 IICB CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)o2)cc1 12285409 HSVIIIYTRUTVIV-FWPSJRISSA-N 436.493 4.398 10 40 IICB COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccccc1Cl 33704014 VSGYYQSNNHGHGR-RGEXLXHISA-N 434.879 4.389 10 40 IICB CCN1C(=O)C(=Cc2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)C(=O)N(CC)C1=S 113781562 GWANAPVSSAJCFP-ZDUSSCGKSA-N 434.005 4.441 10 40 IICB COc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)C(C)=CC(C)(C)N4C)C(=O)NC2=S)cc1 208448213 DFUKVDXNZYIFMP-DEDYPNTBSA-N 447.560 4.158 10 40 IICB CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2ccccc2C)SC1=S 256055368 DNBUDZANCZEBJK-OWBBTNHHSA-N 426.563 4.283 10 40 IICB COc1ccc(-n2c(SCC(=O)c3ccc(O)c(O)c3)nnc2-c2ccccc2)cc1 1260961 LZMUPYCZXKYMER-UHFFFAOYSA-N 433.489 4.329 10 40 IICB Cc1c(OC(=O)[C@@H]2Cc3ccccc3C(=O)O2)ccc2c(-c3ccccc3)cc(=O)oc12 18234958 QLKDWFTULIHJHT-QFIPXVFZSA-N 426.424 4.456 10 40 IICB COc1ccc(N2CCN([C@@H](CNC(=O)Nc3cccs3)c3ccco3)CC2)cc1 38619886 JGBADHDQEGKBFT-IBGZPJMESA-N 426.542 4.035 10 40 IICB CN(C)c1ccc(CNC(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 40139483 TYEYKWLGVMCGTK-QHCPKHFHSA-N 431.515 4.482 10 40 IICB Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408850424 NMIJTFBUVBZUFF-JMIUGGIZSA-N 449.919 4.216 10 40 IICB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br 408990608 XPHOOAULYLIHMQ-QPEQYQDCSA-N 449.688 4.086 10 40 IICB COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(C(=O)OC)ccc3C)c2C)C1=O 409242319 QNARZXRGVZZDHB-DEDYPNTBSA-N 442.537 4.262 10 40 IICB CCN1C(=Cc2cc[n+](CCCS(=O)(=O)O)c3ccccc23)Sc2ccccc21 6089201 NWFOOWBBBGNCKO-UHFFFAOYSA-O 427.571 4.336 10 40 IICB COc1ccc(N2C(=O)CN(c3ccccc3C)C(=O)[C@@H]2c2ccc(N(C)C)cc2)cc1 9130275 BFJWJHUZENUEOJ-VWLOTQADSA-N 429.520 4.191 10 40 IICB COc1cc([C@@H](c2ccc3c(OC)cccc3c2O)N2CCOCC2)cc(OC)c1OC 13682079 SSFIEIOTSKJDQZ-QHCPKHFHSA-N 439.508 4.001 10 40 IICB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C 14009576 VTXUGKVHJBBVRP-QPHMKDBKSA-N 434.536 4.254 10 40 IICB Cc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccc(N(C)C)cc3)C2=O)cc1 102711931 SUZLDVKKXHHIIA-KMDXXIMOSA-N 427.504 4.112 10 40 IICB C[C@H](C(=O)N1CCCC[C@H]1c1cccnc1)N1C(=O)/C(=C/c2cccs2)SC1=S 9253463 MZIJFTQMUGABSG-UIAIXCAPSA-N 443.619 4.487 10 40 IICB biogenic CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccccc4OC)c3C)C2=O)cc1 9428099 GHFXBPDSJHOUPS-QNGOZBTKSA-N 443.503 4.332 10 40 IICB COc1ccc(N2CCN(CCC(=O)N[C@H](c3ccccc3)c3cccs3)CC2)cc1 32870740 GGSNBPDYEGCTGU-RUZDIDTESA-N 435.593 4.175 10 40 IICB Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1NS(C)(=O)=O 260453412 OVFRATNFRMPIQV-FUHWJXTLSA-N 429.586 4.094 10 40 IICB CCN1C(=O)/C(=C/c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)SC1=S 9972569 PDWRGIFYJDCGDA-WQRHYEAKSA-N 429.519 4.194 10 40 IICB CN1CCc2cc([C@@H](CNC(=O)c3cccc(Br)c3)N3CCCCC3)ccc21 13007757 JYGNJJALEWHINN-JOCHJYFZSA-N 442.401 4.398 10 40 IICB COc1ccc2nc(/C=C3\SC(=S)N(c4ccc(O)c(C(=O)O)c4)C3=O)ccc2c1 54360797 WNPDXSOOKJCXBN-NVMNQCDNSA-N 438.486 4.053 10 40 IICB COc1ccc2ccc(OC)c(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)c2c1 409232593 RNAVWRYVFMPJLY-DEDYPNTBSA-N 446.528 4.305 10 40 IICB COC(=O)c1ccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 8856291 KVSGULIWADGJLQ-QNGOZBTKSA-N 427.416 4.216 10 40 IICB COc1ccc(N2N=C(C)/C(=C/c3c(C)nn(-c4cccc([N+](=O)[O-])c4)c3C)C2=O)cc1 408757444 NIRVWJLYCFEPOZ-XKZIYDEJSA-N 431.452 4.212 10 40 IICB CCN1C(=O)/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)C(=O)NC1=S 409391999 MPIOVSKJDBGJPM-DHZHZOJOSA-N 439.718 4.009 10 40 IICB CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(C4CCCC4)c3C)C(=O)NC2=S)cc1 654589 LWRSDBFNHULMRR-KGENOOAVSA-N 437.565 4.450 10 40 IICB CC[C@H](C)N1C(=O)/C(=C/c2c(NCC(C)C)nc3c(C)cccn3c2=O)SC1=S 2258043 LRCPGRFVERWDAJ-FBKCMUNRSA-N 430.599 4.071 10 40 IICB Cc1cc(C(=O)COC(=O)[C@@]2(C)CC2(Cl)Cl)c(C)n1-c1ccc2c(c1)OCCO2 2636602 XRRPWZYLEOUEFT-HXUWFJFHSA-N 438.307 4.175 10 40 IICB CCN1C(=O)/C(=C\c2cc(Br)c(OC)c(Br)c2)SC1=S 9296526 FBJBHCOQZQLEDN-UXBLZVDNSA-N 437.178 4.441 10 40 IICB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)c(OCC(=O)O)c(Br)c1 9323840 SLCCVDGMGAFLNE-CXUHLZMHSA-N 429.270 4.027 10 40 IICB COC(=O)c1ccc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 36077450 KVSGULIWADGJLQ-RCCKNPSSSA-N 427.416 4.216 10 40 IICB CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3ON2c2ccccc2)cc1 95630006 PHMDQFHXSRWGJF-VJBWXMMDSA-N 447.922 4.457 10 40 IICB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OS(=O)(=O)c1ccccc1 100315060 OTSBHYWBOWHUNY-RCCKNPSSSA-N 448.500 4.269 10 40 IICB aggregator Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)C(=O)NC2=S)cc1 408740073 CWJMTOJKFMNWID-PXLXIMEGSA-N 428.513 4.405 10 40 IICB O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1 408960477 MABJHFYFSKOZRI-LFIBNONCSA-N 430.291 4.260 10 40 IICB Cc1cc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)c2C)c(C)c1 409392378 LUEMWBQAYFETBQ-FYJGNVAPSA-N 428.492 4.081 10 40 IICB O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1cc(Cl)ccc1O 8765633 AMUGRDZZYHYACP-SXGWCWSVSA-N 436.917 4.415 10 40 IICB O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc2nc(O)oc2c1 19936444 NAHPOZTXPZRPKK-UHFFFAOYSA-N 428.853 4.219 10 40 IICB Cc1ccc(/C=C2/SC(=S)N(CN3CCN(c4cccc(Cl)c4)CC3)C2=O)o1 20081044 IGCSRTXMIFJEFJ-LDADJPATSA-N 433.986 4.222 10 40 IICB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2)c1C 223686782 KPBKVEOYLSCIFT-DHIUTWEWSA-N 434.565 4.025 10 40 IICB Cc1ccccc1NC(=O)Cc1csc2[n+]1C(=O)/C(=C/c1ccc3c(c1)OCO3)S2 1637165 BUQMCRXZWFPTQN-OCKHKDLRSA-O 437.522 4.041 10 40 IICB CCN1C(=O)N=C(O)/C(=C/c2cn(CCOc3ccc(OC)cc3)c3ccccc23)C1=O 9109046 KRWDCTYCTCHQNO-ZHZULCJRSA-N 433.464 4.051 10 40 IICB Cc1ccccc1N1O[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]1c1ccc(N(C)C)cc1 11859560 OWNXZFIABYXDMT-WXFUMESZSA-N 445.494 4.251 10 40 IICB COc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)ccc1OC(C)C 15013422 ZESHYSNTARHXSO-GDNBJRDFSA-N 444.940 4.276 10 40 IICB COc1ccc(N2C(=O)CN(c3ccccc3F)C(=O)[C@H]2c2ccc(N(C)C)cc2)cc1 15412902 NYAIDNDYSOIDGX-XMMPIXPASA-N 433.483 4.021 10 40 IICB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 16134933 DMGDHLYDTBTCGB-UHFFFAOYSA-N 425.529 4.142 10 40 IICB CC(C)OC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc2c1CCCCC2 35898120 GBXXKKIGBLJUTA-BODMPHMZSA-N 431.554 4.434 10 40 IICB CCOc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1OC 409221096 KUIHTOZMZIAMJH-OQLLNIDSSA-N 444.940 4.195 10 40 IICB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)C(=O)NC2=S)cc1 660735 VXWCLHAHSSSGDM-CIAFOILYSA-N 449.507 4.073 10 40 IICB Cc1cccc(OCCCOc2ccccc2/C=C2\C(=O)NN(c3ccccc3)C2=O)c1 2180349 SKDPKVWCRMRQII-PTGBLXJZSA-N 428.488 4.304 10 40 IICB O=C1/C(=C\c2cc3cc4c(cc3[nH]c2=O)OCO4)SC(=S)N1c1ccc(Cl)cc1 9420253 TWDOXFKFBOXODH-REZTVBANSA-N 442.905 4.316 10 40 IICB COc1ccc(N2CCN(c3ncc4c(n3)C[C@H](c3ccccc3C)CC4=O)CC2)cc1 10156877 YXQSKOOBAXFXEH-IBGZPJMESA-N 428.536 4.033 10 40 IICB O=S(=O)(/C=C/c1ccccc1)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 12757564 WIHRGDWDKLGVMQ-CCEZHUSRSA-N 432.498 4.039 10 40 IICB Cc1c(OC(=O)[C@H]2Cc3ccccc3C(=O)O2)ccc2c(-c3ccccc3)cc(=O)oc12 18234959 QLKDWFTULIHJHT-JOCHJYFZSA-N 426.424 4.456 10 40 IICB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(Cc2ccccc2F)c1 408874502 CRGQYXLOLAWNAZ-QNGOZBTKSA-N 446.503 4.256 10 40 IICB COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1 977980 FSOUXXDXFUISQG-GDNBJRDFSA-N 449.351 4.004 10 40 IICB COC(=O)[C@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 9010024 RFAJRKWQTJNEBK-WXFUMESZSA-N 435.479 4.293 10 40 IICB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(NC(=O)c2cccs2)c1 9469062 RCFXDCDMFBRURL-UHFFFAOYSA-N 435.549 4.109 10 40 IICB CCOc1ccc(/C=C2\SC(N3CCN(c4ccc(F)cc4)CC3)=NC2=O)cc1OC 13547030 XPYXBYPUAJJWGL-QNGOZBTKSA-N 441.528 4.026 10 40 IICB COc1ccc(N2CCN([C@H](c3cccc(C)c3)c3sc4nc(C)nn4c3O)CC2)cc1 22627305 QKNNKSIJQCZOCL-OAQYLSRUSA-N 449.580 4.033 10 40 IICB CCN1CCc2cc(CN3CCC[C@H](c4n[nH]cc4C(=O)N4CCCCCC4)C3)ccc21 257253979 KBBDGLCXAVVBLB-QFIPXVFZSA-N 435.616 4.188 10 40 IICB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c(Cc2cccc(F)c2)c1 408869692 TUGLDGROWBGRPE-ZHZULCJRSA-N 448.425 4.231 10 40 IICB COc1ccc(N2CCN(C(=O)C3CCN(Cc4c(F)cccc4Cl)CC3)CC2)cc1 9063683 FNIWKIVEFWLILJ-UHFFFAOYSA-N 445.966 4.049 10 40 IICB Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3F)C(=O)NC2=S)cc1Cl 409241441 XNYZTUYCNYVLQP-LICLKQGHSA-N 443.931 4.219 10 40 IICB CN1CCc2cc([C@H](CNC(=O)c3ccccc3Br)N3CCCC3)ccc21 8963350 QPTPNCHMVMSLND-NRFANRHFSA-N 428.374 4.008 10 40 IICB CCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(OC)cc4OC)c3C)C(=O)N=C2S1 9293431 JNTLGLFVOBDRKY-RCOXNWNUSA-N 437.525 4.141 10 40 IICB Cc1cc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)c(C)n1-c1ccccc1F 12632637 QHIHVFNXDHSTMX-OAQYLSRUSA-N 427.545 4.098 10 40 IICB CN1CCCc2cc([C@@H](CNC(=O)c3cccc4ccccc34)N3CCOCC3)ccc21 13008342 CIGLIOJXTZYWOH-AREMUKBSSA-N 429.564 4.026 10 40 IICB Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1N(C)S(C)(=O)=O 222484357 XXWHTMYXYHAYLO-IBGZPJMESA-N 443.613 4.118 10 40 IICB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccc(C)c4)c3C)C2=O)cc1 408760202 UJTDACWWRAHIAS-HYARGMPZSA-N 429.476 4.078 10 40 IICB O=C(COC(=O)/C=C/c1ccccc1)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 25425080 RCLSVOATZVOUNG-ZHACJKMWSA-N 445.858 4.311 10 40 IICB Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1C 223620628 CNCAMGWHUMTWCA-LADGPHEKSA-N 434.609 4.461 10 40 IICB CC[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 224991211 AWISELYVFBQZHY-HSZRJFAPSA-N 445.629 4.011 10 40 IICB COc1ccc(-c2cnc(SCC(=O)Nc3nccs3)n2Cc2ccco2)cc1 44086173 XRUOREZVFMKSDT-UHFFFAOYSA-N 426.523 4.387 10 40 IICB COc1ccc(N2CCN([C@H](CNC(=O)OCc3ccccc3)c3ccco3)CC2)cc1 56946283 UKRVAPHXMPOASZ-HSZRJFAPSA-N 435.524 4.078 10 40 IICB O=C1C(=Cc2ccc(N3CCCC3)o2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 59138397 AJMBECKVSHKEEE-UHFFFAOYSA-N 427.460 4.463 10 40 IICB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2)c1C 223649937 JVPLAJMZSPQOGR-DHIUTWEWSA-N 434.565 4.025 10 40 IICB CCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC 408983112 KPSYNLZAGMQZBS-AUWJEWJLSA-N 449.290 4.376 10 40 IICB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(C)C)c(Cl)c3)C2=O)cc1 408810399 PJVMRADOBCJJBR-GZTJUZNOSA-N 428.872 4.192 10 40 IICB CCOC(=O)c1ccc2c(c1)N(CC)/C(=C\C=C1/SC(=S)N(CC)C1=O)N2CC 9635966 YROPMQKTDXTVGR-WHYMJUELSA-N 431.583 4.135 10 40 IICB CCN(CC)c1ccc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)cc1Br 35224125 XFRUHYORVVMQMS-XNTDXEJSSA-N 446.301 4.391 10 40 IICB Cc1cc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c(C)n1-c1ccccc1F 58411442 YKCMAAPJWXXEQB-UHFFFAOYSA-N 427.501 4.025 10 40 IICB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1ccccc1 223223339 REQKMLVTPIFLJT-BJKOFHAPSA-N 433.625 4.413 10 40 IICB COC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4cccc(C)c4)C3=O)c2C)cc1 409231267 IXIDMJANQKTJKG-OEAKJJBVSA-N 443.503 4.282 10 40 IICB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCCN1c1ncnc2ccccc12 12633602 ZVSVDGLXQLQDJD-XMMPIXPASA-N 429.568 4.248 10 40 IICB COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 20495436 XRGQWSYMJGYXBP-UHFFFAOYSA-N 443.908 4.300 10 40 IICB Cc1c(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cccc1N(C)S(C)(=O)=O 222442530 USWBKDFXRAHPSD-LJQANCHMSA-N 443.613 4.118 10 40 IICB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(N3CCCC3)c(F)c2)C(=O)NC1=S 409070556 CDHGPUVJJDOPPY-RVDMUPIBSA-N 443.931 4.219 10 40 IICB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3)C2=O)cc1 8819516 DXXHDNKEYRPBJV-JXAWBTAJSA-N 440.546 4.093 10 40 IICB O=C(NN1C(=O)/C(=C/C=C/c2ccco2)SC1=S)c1ccc(Br)cc1 13787382 OKMQCLWZXYOPCX-NQDFZQDQSA-N 435.324 4.145 10 40 IICB CC(=O)NC1=NC(=O)/C(=C\c2cccc(OCc3ccc(Br)cc3)c2)S1 32111819 RBHCQSARUOZTAA-LICLKQGHSA-N 431.311 4.135 10 40 IICB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2)c1C 223650396 HHZSYJSKERJTBV-BJKOFHAPSA-N 448.592 4.333 10 40 IICB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2ccccc2F)C1=O 408962178 WZCYNYSTPOMGDP-MOSHPQCFSA-N 439.512 4.409 10 40 IICB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C 409015348 RNUPZGPUTJRPCY-BKUYFWCQSA-N 442.943 4.457 10 40 IICB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c2C)nc1 409128204 ISCIDBGBHNZUQO-UDWIEESQSA-N 444.560 4.246 10 40 IICB COC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)c2C)c1C 409238214 WGUQUFAOXYYGBR-HYARGMPZSA-N 443.503 4.282 10 40 IICB COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCc1ccc(C)cc1 1238447 FOKDBSIPVQNVEY-UNOMPAQXSA-N 443.546 4.259 10 40 IICB O=C(O)CCN1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S 3639909 YQGDLHYELOLTHU-ZROIWOOFSA-N 438.324 4.385 10 40 IICB C[C@H](Oc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3Cl)C(=O)N=C2O)cc1)C(=O)O 8861649 QBNRXLOFIVAIOK-WULZRQGASA-N 449.246 4.352 10 40 IICB O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1cc(Br)cs1 9260114 QGKBRZMEMYDXKK-UITAMQMPSA-N 446.109 4.484 10 40 IICB CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1ccc(N(C)C)cc1 20802758 KOHXXMVTZUMICC-PKTZIBPZSA-N 448.567 4.264 10 40 IICB N=C1/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN12 33457584 GEXHFOWXBJYTJR-NIWWFUJCSA-N 435.509 4.430 10 40 IICB COc1ccc(C(=O)NN2C(=O)/C(=C/c3c(C)n(C)c4ccccc34)SC2=S)cc1 34702743 RIPKVOVCDKYEOV-UNOMPAQXSA-N 437.546 4.042 10 40 IICB CCOc1cc(N2CCOCC2)ccc1[C@@H]1[C@@H](c2ccccn2)N=C2SC[C@@H](CC)N21 222681178 OBBXZXBQOCMUKE-NLSFWIRASA-N 438.597 4.296 10 40 IICB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1OC 408803702 SGZQJIZAJBTJIX-MHWRWJLKSA-N 442.899 4.421 10 40 IICB CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccccc2OC)C1=O 409167473 MEZPXNLSYACPGJ-NBVRZTHBSA-N 432.501 4.078 10 40 IICB CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)SC1=S 409327240 INYSKAVQDPAKLU-UNOMPAQXSA-N 442.562 4.242 10 40 IICB COc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2C)c1 9293592 UQFZFTPSHYUWNU-BZULZASTSA-N 447.442 4.284 10 40 IICB Cc1cc(C(=O)CN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1 9491755 KBKLUOBNLYXYBA-AREMUKBSSA-N 447.510 4.359 10 40 IICB CCOc1cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)c(Br)cc1O 15930485 KGXXZYOINJOCOM-OVCLIPMQSA-N 445.269 4.058 10 40 IICB CCN1C/C(=C/c2ccc(N3CCOCC3)cc2)c2nc3ccccc3c(C(=O)O)c2C1 33477495 BZVMNQGYDICVDE-CYVLTUHYSA-N 429.520 4.146 10 40 IICB COc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccco5)SC4=NC3=O)c2C)c1 33581550 ALYKMQBFUIKNRN-MHHBVAOCSA-N 445.504 4.363 10 40 IICB Cc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1cccc(F)c1 35074288 IBFSWFBZCCZHBA-XKZNGBPRSA-N 444.495 4.296 10 40 IICB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2)c1C 223649878 JVPLAJMZSPQOGR-XZOQPEGZSA-N 434.565 4.025 10 40 IICB CCCCC1CCC(C(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)CC1 4661768 HOOIKEBSJXLPJP-IRSIHTCSSA-N 434.646 4.265 10 40 IICB O=C(O)c1c(O)c(/N=N/c2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc2ccccc12 4972352 LLOHGIZSOJHHLC-OCOZRVBESA-N 449.448 4.250 10 40 IICB CC(C)(C)c1ccc(C(=O)NN2C(=O)/C(=C\c3nc4ccccc4[nH]3)SC2=S)cc1 8869974 CNLHYEAULXSLLM-SFQUDFHCSA-N 436.562 4.407 10 40 IICB CN1CCN(c2ccc(CNC(=O)CSCc3ccc(Cl)cc3Cl)cc2)CC1 222730544 XIYILKYIKVPTJA-UHFFFAOYSA-N 438.424 4.295 10 40 IICB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(Cl)cc1 223577032 UEGAMSIKVLYMPU-NHCUHLMSSA-N 426.973 4.107 10 40 IICB CCN1CCc2cc(CN3CCC[C@@H](c4n[nH]cc4C(=O)N4CCCCCC4)C3)ccc21 257253978 KBBDGLCXAVVBLB-JOCHJYFZSA-N 435.616 4.188 10 40 IICB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(OC)cc3-n3c(C)ccc3C)CC2=O)cc1 408707370 JMEBEZIBZABKAU-IBGZPJMESA-N 447.535 4.493 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(Cl)cc1OC 409144903 POXZUDDIIRAVRY-OQLLNIDSSA-N 444.940 4.195 10 40 IICB CCc1nc2ccccc2n1CC(=O)OCC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C 13129488 SURROIMFIMRKLB-UHFFFAOYSA-N 445.519 4.441 10 40 IICB COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(O)c(OC)c1 59959325 FWQJTNIWGSQFJW-SXGWCWSVSA-N 444.281 4.041 10 40 IICB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C 222810539 ATSDXJDIADKRQI-FGZHOGPDSA-N 434.565 4.268 10 40 IICB Cc1cc(N2C[C@H](C)C[C@@H](C)C2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 225956109 ZQXRVIFMKLKDKC-QZTJIDSGSA-N 438.645 4.354 10 40 IICB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OC(C)C 408814788 WFOCVBOFMTUBRU-VIZOYTHASA-N 449.290 4.456 10 40 IICB COC(=O)CN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC1=S 409215013 ZEPBQQVFEPAMHF-YVLHZVERSA-N 433.938 4.293 10 40 IICB COc1ccc(-c2csc(N3N=C(C)[C@@H](/N=N/c4ccccc4C(=O)O)C3=O)n2)cc1 12275691 FBTXRPYXQOVFMT-IUBFCHALSA-N 435.465 4.392 10 40 IICB COc1ccc(N2CCN(C(=O)c3ccc(COc4ccc5c(c4)CCC5)o3)CC2)cc1 28227181 FHSAQVYGNUJWOU-UHFFFAOYSA-N 432.520 4.318 10 40 IICB COc1cccc(-n2cccc2/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c1 41108517 KTDIWAXJAZOPCR-JRCZNVDKSA-N 441.516 4.348 10 40 IICB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCc1ccc(N2CCCC2)cc1 225678386 NKZYYPINQNARFF-ULJHMMPZSA-N 429.520 4.276 10 40 IICB CC(=O)NC1=NC(=O)/C(=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)S1 408760899 AUCJWYXZOGSUSJ-PXNMLYILSA-N 435.288 4.319 10 40 IICB CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)c2C)cc1 409233926 IPANOMNFZRTZOD-HZHRSRAPSA-N 442.519 4.498 10 40 IICB Cc1ccc2c(c1)N(C)/C(=C/c1sc3ccccc3[n+]1CCCS(=O)(=O)O)S2 3639738 OMBMQPCQMUOVAC-UHFFFAOYSA-O 433.600 4.316 10 40 IICB Cc1cc(C)cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)c2C)c1 9469387 WAYPTTJCXOTJDQ-MHZLTWQESA-N 441.531 4.287 10 40 IICB Cc1cc(C(=O)COC(=O)C[C@](O)(c2ccco2)C(F)(F)F)c(C)n1-c1ccccc1 12563307 VBZJYNTTXBOARQ-NRFANRHFSA-N 435.398 4.253 10 40 IICB CC1=C(c2nc(-c3ccc(Cl)cc3)no2)[C@H](c2ccc(N(C)C)cc2)NC(=S)N1 24834103 ZGFYQGRLAUBUPC-SFHVURJKSA-N 425.945 4.406 10 40 IICB Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)cc1 223265954 USQLGXSZIDDCTG-RPWUZVMVSA-N 433.625 4.332 10 40 IICB CCCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O 408812853 XJQWOCIDQPZWJN-LFIBNONCSA-N 428.872 4.112 10 40 IICB Cc1ccc(S(=O)(=O)Nc2sc3c(c2C(=O)Nc2cccnc2)CCCC3)cc1 409118729 UFCDXGRKJAJQMD-UHFFFAOYSA-N 427.551 4.383 10 40 IICB CN1CCc2cc([C@H](CNC(=O)COc3ccc(Cl)cc3Cl)N3CCCC3)ccc21 8963374 LXIWXWLXDNMSQV-NRFANRHFSA-N 448.394 4.318 10 40 IICB CCOc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1C(C)C 9259397 GDUUANADNAVPBH-XDHOZWIPSA-N 426.513 4.488 10 40 IICB O=C1N=C(O)/C(=C/c2ccc(I)o2)C(=O)N1c1cccc(Cl)c1 13571572 OHPJDXFMMFMOSV-XFFZJAGNSA-N 442.596 4.044 10 40 IICB COc1ccc(C)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(SC)SC3=NC2=O)c1C 33652640 NTFYWOZXVFZYAR-HUHIGAQKSA-N 439.566 4.351 10 40 IICB Cc1cc(N2CCOCC2)ccc1CN1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1 72347914 JPOQLZYZODLLRQ-UHFFFAOYSA-N 441.959 4.230 10 40 IICB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C(=O)O)ccc2C)c1C 222791944 KCEICYKPYNNIDU-YADHBBJMSA-N 434.565 4.488 10 40 IICB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C(=O)O)ccc2C)c1C 222792002 KCEICYKPYNNIDU-FCHUYYIVSA-N 434.565 4.488 10 40 IICB Cc1ccnc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)c1 223315585 QDZQMMTZOUETNQ-IEXUWNMDSA-N 447.608 4.344 10 40 IICB CC(C)(C)OC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(Cl)cc3)cc2)CC1 8672462 XFMYLPGKKYNJQC-UHFFFAOYSA-N 429.948 4.327 10 40 IICB CCc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1 102721934 KRWAHTYTUHKDKY-DSNGMDLFSA-N 441.531 4.366 10 40 IICB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c1C 408692345 KKGZNAFDTRYWMA-YBFXNURJSA-N 425.916 4.460 10 40 IICB CCOC(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C\c3ccc(OC)c(OC)c3)C2=O)cc1 683622 OAKKFECLJAWBPG-LFIBNONCSA-N 448.397 4.229 10 40 IICB Cc1cc(C)c2c(N)c(C(=O)OCC(=O)Nc3ccc(OC(F)(F)F)cc3)sc2n1 10644841 JFQYWIGSGSLXAY-UHFFFAOYSA-N 439.415 4.189 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OC(C)C 408902587 KQQNDWQCYPATSG-CXUHLZMHSA-N 446.862 4.331 10 40 IICB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1cccc(Br)c1 8821890 VTUOOWUREMLZRI-JXAWBTAJSA-N 428.355 4.242 10 40 IICB Cc1ccccc1NC1=NC(=O)/C(=C/c2ccc(OCCO)cc2Br)S1 98054174 YTEQOAFJFGJVPZ-YVLHZVERSA-N 433.327 4.211 10 40 IICB O=C1NC(=O)C(=Cc2c(OCc3ccc(Cl)c(Cl)c3)ccc3ccccc23)C(=O)N1 408803631 RJHUCAIJMVHMLK-UHFFFAOYSA-N 441.270 4.475 10 40 IICB CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(F)c4)C3=O)o2)cc1 409021650 RSBYVURKEYUCQZ-XDHOZWIPSA-N 434.448 4.120 10 40 IICB CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c1C 409222046 BNDJUZCGIQOQDX-FYJGNVAPSA-N 428.492 4.026 10 40 IICB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(O)cc4)c3C)C(=O)NC2=S)c(C)c1 9264456 BJFFEUDGQTXOBE-FYJGNVAPSA-N 445.544 4.248 10 40 IICB O=C1/C(=C/c2ccccc2)SC(=S)N1CCCCCC(=O)N1CCCC[C@@H]1CCO 13573588 DNOHGBBVRNMVBK-QGBVPWCLSA-N 446.638 4.212 10 40 IICB CCN(CC)c1ccc([C@@H]2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 19927039 MJSXLZIHHJRQNB-DEOSSOPVSA-N 436.581 4.109 10 40 IICB CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)ccc1OCc1cccc(Cl)c1 32109981 YFYGUQPHEGPDPG-YBFXNURJSA-N 430.913 4.424 10 40 IICB O=C1/C(=C/c2cc3cc4c(cc3[nH]c2=O)OCO4)SC(=S)N1c1cccc(Cl)c1 51330816 PETRUQNORLCMFK-FMQZQXMHSA-N 442.905 4.316 10 40 IICB O=C(O)c1ccccc1-c1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)o1 59135826 DKDGDZLIVYYSKD-RVDMUPIBSA-N 436.420 4.456 10 40 IICB COc1cc([C@@H]2CC3=Nc4ncnn4[C@@H](c4ccccc4O)C3=C(O)C2)cc(OC)c1OC 102592021 AHXVPDQBQNHWMS-DMZKTXOQSA-N 448.479 4.075 10 40 IICB O=c1[nH]c(/C=C/c2cc(/N=N\c3cccc(C(F)(F)F)c3)ccc2O)c([N+](=O)[O-])c(=O)[nH]1 108929855 DLQDIIPAPXIZQA-OMOHLZNYSA-N 447.329 4.282 10 40 IICB O=C(NN1C(=O)/C(=C/c2cc(Cl)c(O)c(Cl)c2)SC1=S)c1ccccc1 409174779 VAPRYAUPWKMWFN-JYRVWZFOSA-N 425.318 4.245 10 40 IICB CCN(CC)c1ccc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)cc1 4090323 BQVDWUFWKPYGSE-ANDFITQPSA-N 433.537 4.231 10 40 IICB COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@@H](c4nnc5ccccn45)C3)c2C)cc1 12324617 LMUCHQDXRIBGSG-LJQANCHMSA-N 429.524 4.165 10 40 IICB O=C(C1=CN(c2ccc(Br)cc2)c2ccccc2S1(=O)=O)N1CCCCC1 48988500 LBIFBJZEHGKVNG-UHFFFAOYSA-N 447.354 4.228 10 40 IICB CCN(CC)CCN(C(=O)c1ccccc1OC)C1CCN(c2ccc(OC)cc2)CC1 57744307 MTPKIAUPWIPDLS-UHFFFAOYSA-N 439.600 4.157 10 40 IICB COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1C(=O)O 108028393 FXXQHSVYEWJICH-BOPFTXTBSA-N 442.265 4.025 10 40 IICB COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)C1=O 409245870 ADUKWZCKAAKQOF-YBFXNURJSA-N 445.497 4.084 10 40 IICB COc1cc(/C=C2/SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)cc(OC)c1OC 27530345 HKSMMECTIDTHMY-WOJGMQOQSA-N 444.534 4.077 10 40 IICB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2)c1C 223720816 JPTAZNQOGQBOSS-RPWUZVMVSA-N 448.592 4.415 10 40 IICB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(Cc2cccc(F)c2)c1 408878497 BMBBJJJKVXAVFP-PXLXIMEGSA-N 430.435 4.092 10 40 IICB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 409391698 JNOZLQBKVXBBEU-UVTDQMKNSA-N 428.231 4.315 10 40 IICB CCOc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc1OC 1805064 ITDPGNMDEFQEJZ-XUDLPTGHSA-N 429.519 4.121 10 40 IICB O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NC1CCCC1 8820015 OFIBGCWBYOMJHP-UYRXBGFRSA-N 446.594 4.236 10 40 IICB CC(C)N1C(=O)/C(=C/c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC1=S 13758863 QOCOEENCPDIXAM-WJDWOHSUSA-N 441.509 4.236 10 40 IICB CN(C)c1ccc(CNC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1 32579071 COOQWURSPLRHCE-UHFFFAOYSA-N 428.492 4.165 10 40 IICB COc1ccc(C(=O)Oc2ccc(Cl)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 108136368 KBAHINWFMBGQME-ZHZULCJRSA-N 448.862 4.029 10 40 IICB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OC(C)C 408810742 JMSWRWCMLPMXCZ-CXUHLZMHSA-N 428.872 4.111 10 40 IICB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(-n2cnc3ccccc32)cc1 9952235 CPGRUIJIIPHNNR-UHFFFAOYSA-N 426.520 4.134 10 40 IICB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 408783259 NEQVPOAZBDIOGC-NTCAYCPXSA-N 446.513 4.138 10 40 IICB O=C1C(=Cc2ccc3c(c2)OCO3)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 2230239 FYHPRUDNHZAKGL-UHFFFAOYSA-N 428.469 4.164 10 40 IICB COc1cc(-c2cc(=O)c3c(CN4CCCCC4)c(O)ccc3o2)cc(OC)c1OC 4387307 XVVPGXXDLAQUFB-UHFFFAOYSA-N 425.481 4.177 10 40 IICB CN(C)c1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(=O)NC2CC2)cc1 9130602 AUKPNMNIUFRRCT-OBGWFSINSA-N 441.531 4.223 10 40 IICB CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(O)cc4)c3C)C(=O)NC2=S)cc1 409378267 OERULNMSEJTRJT-HYARGMPZSA-N 445.544 4.193 10 40 IICB CCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC 1214157 KAHCVECNLJHZNJ-SXGWCWSVSA-N 428.872 4.031 10 40 IICB COc1cc(C=C(C(=O)Nc2ccccc2F)C(=O)Nc2ccccc2F)cc(O)c1O 9284318 NAUXJGULDDADSZ-UHFFFAOYSA-N 440.402 4.045 10 40 IICB COc1ccc(N2CCN(C(=O)CCS[C@@H]3CCc4ccccc4N=C3O)CC2)cc1 12325137 QIBUKKLDEHDZKQ-JOCHJYFZSA-N 439.581 4.070 10 40 IICB O=C(Nc1cccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1)c1cccnc1 58265898 DZCIYMDQVLODQU-JOCHJYFZSA-N 446.507 4.253 10 40 IICB COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(Br)c1O 409194267 JCCWRYKDQRFHNK-RIYZIHGNSA-N 439.356 4.119 10 40 IICB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)c(C)n1-c1ccccc1 9585343 UYGHYBNIEOKWKM-XMMPIXPASA-N 435.911 4.397 10 40 IICB CN(C)c1ccc([C@H](CNC(=O)c2ccc(F)cc2)N2CCN(c3ccccc3)CC2)cc1 16914392 NKOKVIIJLOMZED-SANMLTNESA-N 446.570 4.185 10 40 IICB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccccc1Cc1ccccc1Cl 408865770 FKCCCRGGIKCPPG-XSFVSMFZSA-N 432.863 4.303 10 40 IICB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(Cc2ccccc2F)c2ccccc12 409205600 RFOVKFSMXVPVLZ-MOSHPQCFSA-N 431.467 4.233 10 40 IICB COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cccc(Br)c1 634422 OTDOCSPQISGAHM-WQRHYEAKSA-N 428.282 4.335 10 40 IICB Cc1cc(C(=O)Cn2c(CO)nc3ccccc32)c(C)n1-c1ccc(OC(F)F)cc1 9671318 UFTUPKRFFPJOKJ-UHFFFAOYSA-N 425.435 4.420 10 40 IICB Cc1cc(C(=O)COC(=O)c2cn(C)c3ccccc23)c(C)n1-c1ccc2c(c1)OCO2 12525045 IZYZCKOPFFLDPR-UHFFFAOYSA-N 430.460 4.354 10 40 IICB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 35169036 XDRMSYZXVSIBLZ-IQDKPADRSA-N 433.504 4.117 10 40 IICB O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 58246131 YJLKMHQXGMSVDY-FCHUYYIVSA-N 426.513 4.163 10 40 IICB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NCc2ccc3c(c2)OCO3)cc1 112292639 BFUFBPJMSFPHJZ-ULJHMMPZSA-N 441.487 4.239 10 40 IICB CCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1OCC 408871249 XJMCQSMAGHKUFE-UVTDQMKNSA-N 446.862 4.333 10 40 IICB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1c2ccccc2cc2ccccc12 408956047 VTKIMTXUBSPQQE-FYJGNVAPSA-N 436.423 4.388 10 40 IICB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1Cl 9259392 JPEMFESXJMJHJY-HMHNVIDESA-N 432.904 4.488 10 40 IICB CCN(CC)c1ccc(CN(C(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 28251034 QAOXONSVQHWZME-ZLNRFVROSA-N 446.657 4.287 10 40 IICB CC(C)c1ccc(N2C(=O)/C(=C/c3cc(Br)cs3)C(=O)NC2=S)cc1 409247812 OBBWDHYEEYIKKU-OVCLIPMQSA-N 435.368 4.465 10 40 IICB Cc1cc(C(=O)CSc2nnnn2C[C@@H]2CCCO2)c(C)n1-c1ccc(F)c(Cl)c1 9548623 RJHYZRNYGZPPDP-HNNXBMFYSA-N 449.939 4.027 10 40 IICB CN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3O)=NN12 10213969 VRRWGIXZYYGJBR-SFHVURJKSA-N 428.330 4.120 10 40 IICB CN1CCN(c2ccc(CNC(=O)CSCc3c(Cl)cccc3Cl)cc2)CC1 216930972 NQHHFYYZXWNEGS-UHFFFAOYSA-N 438.424 4.295 10 40 IICB Cc1ccc(-n2nc(C)c(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c(C)c1 408757967 SUHYXIRDIALWDK-NDENLUEZSA-N 448.910 4.426 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(C)C 408803911 URIDQMLXHFKOSI-GZTJUZNOSA-N 428.872 4.192 10 40 IICB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1OCc1ccc(F)cc1 408874031 YTEHOZWBVHPGKZ-AQTBWJFISA-N 434.398 4.210 10 40 IICB Cc1cc(/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1 9308947 QRZYTDNPNAAMJK-JNTYBJLZSA-N 433.468 4.494 10 40 IICB Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)N1CCN(c2ccccc2)CC1 9572270 XDSZBTHXVORCJC-UHFFFAOYSA-N 426.973 4.181 10 40 IICB Cc1cc(C(=O)COC(=O)CCC(=O)c2cccs2)c(C)n1-c1ccc2c(c1)OCO2 9612674 IRWMFHSVTNGNAD-UHFFFAOYSA-N 439.489 4.273 10 40 IICB COc1ccc(N2C[C@@H](C(=O)Nc3ccc(OC)cc3-n3c(C)ccc3C)CC2=O)cc1 408707950 MUKBBOOALHFAFA-SFHVURJKSA-N 433.508 4.103 10 40 IICB CN1C(=O)/C(=C\c2cn(Cc3cccc4ccccc34)c3ccccc23)C(=O)NC1=S 409141307 NARUHDACOSMAPM-BKUYFWCQSA-N 425.513 4.099 10 40 IICB Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c(C)n1-c1ccccn1 409244581 FVFHAZCSMFZKIN-UYRXBGFRSA-N 432.505 4.164 10 40 IICB CCCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3OC)cc2)SC1=S 409344616 HOFNEYIMYVZJCP-CPNJWEJPSA-N 442.562 4.324 10 40 IICB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4ccccc4F)c3C)C2=O)cc1 8815780 BAXRLUHLDCRVCH-FYJGNVAPSA-N 446.482 4.073 10 40 IICB CCN(CC)c1ccc(CN(C(=O)c2cccc(Cl)c2)[C@H]2CCS(=O)(=O)C2)cc1 9282674 RWMXMZLSUGEKME-NRFANRHFSA-N 434.989 4.016 10 40 IICB CCOc1cccc([C@H]2CC(c3ccc(C)c(C)c3)=NC3(CCN(C(C)=O)CC3)N2)c1O 65298467 ZTFVTAOMBMBSTL-HSZRJFAPSA-N 435.568 4.270 10 40 IICB biogenic Cc1cc(C(=O)CN2CCN(Cc3nc4ccccc4s3)CC2)c(C)n1-c1ccccn1 96315989 BVDYAMNFSWSZPG-UHFFFAOYSA-N 445.592 4.099 10 40 IICB S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(Cl)cc(N2CCCCC2)n1 225956747 GCLBYUXVVVTDQK-UHFFFAOYSA-N 431.009 4.207 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OC 408802456 FGMPLLXJEMZSML-MDWZMJQESA-N 435.263 4.067 10 40 IICB COc1ccc(N2CCN(C(=O)CSc3nc(C)nc4sc(C)c(C)c34)CC2)cc1 1340333 GDDGAUWMIKFTFN-UHFFFAOYSA-N 442.610 4.066 10 40 IICB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1 9264494 IYYOCZGUVYANLI-CPNJWEJPSA-N 425.941 4.162 10 40 IICB COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 14414332 OZHRDKBMYLXBBH-AQTBWJFISA-N 426.856 4.164 10 40 IICB CCOc1ccc(N2C(=O)/C(=C/c3c(OC)ccc4ccccc34)C(=O)NC2=S)cc1 16691677 SRRSBDBYRDQEMR-XSFVSMFZSA-N 432.501 4.078 10 40 IICB COc1cc([C@H]2CC3=Nc4ncnn4[C@H](c4ccccc4O)C3=C(O)C2)cc(OC)c1OC 102592025 AHXVPDQBQNHWMS-WHEQGISXSA-N 448.479 4.075 10 40 IICB Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1C 223620590 CNCAMGWHUMTWCA-VWNXMTODSA-N 434.609 4.461 10 40 IICB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(OC)c1 409147609 XYSVDAFOBXQBMO-RQZCQDPDSA-N 448.953 4.212 10 40 IICB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(CC(=O)N(C(C)C)C(C)C)C1=O 409202869 STXWPHIGSJXWPS-MOSHPQCFSA-N 429.586 4.277 10 40 IICB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(CC(=O)N2CCCC[C@@H]2C)C1=O 409212338 QBGDPBYVHSWTQA-PNWWAVQQSA-N 427.570 4.033 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1OC 409240742 PPNVJISEKQGNCB-OQLLNIDSSA-N 444.940 4.195 10 40 IICB CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)SC1=S 409331280 NQBMRFUMZMVGDQ-UNOMPAQXSA-N 442.562 4.242 10 40 IICB CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OC 1416557 NGGIZIATYFQBTJ-RMENWYJGSA-N 442.562 4.419 10 40 IICB Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)cc1 103698562 WGVMIZPFGGJCKW-XKZIYDEJSA-N 446.482 4.073 10 40 IICB CCCCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 408532033 NHAPFRHXIVSSHU-BOPFTXTBSA-N 443.843 4.094 10 40 IICB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC 409138001 YCZCVHDZCJJDHL-YAJBTMAUSA-N 438.549 4.321 10 40 IICB COC(=O)c1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1 3146253 GIBAXSNXQDMSTM-UHFFFAOYSA-N 442.496 4.222 10 40 IICB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2cccc(F)c2)C1=O 14133098 GGFOWYPMXPPSPS-XSFVSMFZSA-N 430.435 4.380 10 40 IICB CCOC(=O)CN1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)SC1=S 27563160 YLWJRFYTLJVAGY-UDWIEESQSA-N 436.558 4.454 10 40 IICB COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)[C@H](C)N(c4ccc(C)cc4)C3=O)c2C)cc1 35227879 NCDDNYVYFOUNDA-IBGZPJMESA-N 445.519 4.451 10 40 IICB Cc1c(NS(C)(=O)=O)cccc1C(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260455502 YMLFCBRNRCRAGK-FUHWJXTLSA-N 429.586 4.094 10 40 IICB COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 408584475 QGFCAWQYRMKGMU-CYVLTUHYSA-N 441.524 4.276 10 40 IICB Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])SC2=S)c(Cl)c1 409149984 XBTWFUNHBKKVJV-OQLLNIDSSA-N 433.898 4.103 10 40 IICB O=C(NCc1ccc(N2CCOCC2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 10113299 HQXHIWBBIAYGHU-XIEYBQDHSA-N 443.503 4.288 10 40 IICB CCCc1nn2c(/C=C3/C(=N)N4N=C(CC)SC4=NC3=O)c(-c3ccccc3)nc2s1 41074326 DBDSRDGBQNNABS-IGYGEYERSA-N 449.565 4.439 10 40 IICB CC(=O)N(c1nc(/C=C2/SC(N3CCCCC3)=NC2=O)cs1)c1ccccc1F 96759413 VMDOUKODEPHJNV-GZTJUZNOSA-N 430.530 4.423 10 40 IICB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(C)cc3)C2=O)cc1 408805262 FOGMIIPHOXKGSJ-PXLXIMEGSA-N 442.471 4.249 10 40 IICB CCc1ccccc1-n1c(C)cc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3)C2=O)c1C 408968065 UARFONCIZCNNQM-JCMHNJIXSA-N 442.519 4.188 10 40 IICB CC[C@@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cccc1OC 409148584 QQOBENCZSNPFKF-APVMCDBPSA-N 438.549 4.321 10 40 IICB C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2ccccc2)SC1=S 9215791 RTIAZHYTOJDMRG-HYTQYMIGSA-N 435.574 4.117 10 40 IICB COc1ccc(N2CCN([C@@H](c3ccccc3Cl)c3nnnn3C(C)(C)C)CC2)cc1 13504069 IHCZTNRDWWJXRQ-NRFANRHFSA-N 440.979 4.002 10 40 IICB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1O 14406576 KWHLVLRHTFJWFM-ATVHPVEESA-N 428.282 4.422 10 40 IICB CCCOC(=O)CN1C(=O)/C(=C\c2cc(Br)ccc2OCC)SC1=S 20010463 APPJPDZZBHKCJV-NTEUORMPSA-N 444.372 4.002 10 40 IICB NC(=O)[C@@H]1CC(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)=NN1c1ccc(F)cc1 12915259 JOBTZUQGYCQXTG-CUDYFHFOSA-N 430.443 4.300 10 40 IICB Cc1ccc(N2C(=O)/C(=C\c3ccc(SCCO)c([N+](=O)[O-])c3)SC2=S)cc1 32124944 KJWQDOLJYHSYEG-GZTJUZNOSA-N 432.548 4.393 10 40 IICB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(OCC)c1 409097826 JMLAJRJRXOHYOZ-LFIBNONCSA-N 444.940 4.277 10 40 IICB CCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc1OC 409337981 ARFMQBAXSXBLMY-WJDWOHSUSA-N 434.564 4.092 10 40 IICB Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1 2396655 LFYSEAFGWKRWNP-BKUYFWCQSA-N 433.895 4.410 10 40 IICB CCCOc1cc(N(CC)CC)ccc1/C=C1\C(=O)NN(c2ccc(Cl)cc2)C1=O 4046428 PNWVLGMADZQHID-XSFVSMFZSA-N 427.932 4.436 10 40 IICB Cc1ccc(Cl)c2c1N[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)[C@H]1CC=C[C@@H]21 4172165 SUCJNZHZRLXGME-MSYCTHLASA-N 444.984 4.496 10 40 IICB COc1ccc2nc(/C=C3/SC(=S)N([C@@H](C(=O)O)c4ccccc4)C3=O)ccc2c1 8993090 NCLSXSRWTVUNMO-TVNWYLLRSA-N 436.514 4.271 10 40 IICB O=C1/C(=C\c2ccc(O)c(I)c2)SC(=S)N1c1ccccc1 9233843 QLZWVIGFWKRXGD-NTEUORMPSA-N 439.299 4.403 10 40 IICB COc1cc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)ccc1OC(=O)c1ccco1 16160884 MNAZEGKXCFENHE-PDGQHHTCSA-N 446.415 4.012 10 40 IICB COc1ccccc1[C@@H]1CC(=O)Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c21 96115696 KYROTJCFQFLAOV-HNNXBMFYSA-N 430.412 4.321 10 40 IICB biogenic Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3cccc(C(F)(F)F)c3)C2=O)cc1 408966126 ZBINNOFIOJUDGR-CPNJWEJPSA-N 439.393 4.471 10 40 IICB COc1cc(N2CCCC2)c(OC)cc1/C=C1\NC(=O)N(Cc2ccccc2Cl)C1=O 409103371 WFCLBMLJWBXZSL-WQRHYEAKSA-N 441.915 4.050 10 40 IICB Cc1cccc(C)c1OCCOc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1 9731049 AMGINXQIINXRIG-HAVVHWLPSA-N 428.488 4.223 10 40 IICB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)c2cc(C)n(-c3ccccc3)c2C)C1=O 22493100 WFUBVNKXODBRCQ-AREMUKBSSA-N 445.519 4.143 10 40 IICB CC(C)c1noc(-c2ccc(OCC(=O)N(C)Cc3ccc(N4CCCC4)cc3)cc2)n1 32578925 DWPBRXAXBNGBNW-UHFFFAOYSA-N 434.540 4.498 10 40 IICB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCC3)c(F)c2)C1=O 409064336 GQKCUUAQCLGZGI-MOSHPQCFSA-N 439.512 4.409 10 40 IICB CCOc1cc(C[C@H]2SC(=S)N(CCOC)C2=O)ccc1OCc1cccc(F)c1 409144623 LKEDNIKQOUTJLN-HXUWFJFHSA-N 449.569 4.221 10 40 IICB COc1ccc2c3c(n(-c4ccc5nc(C)[nH]c5c4)c(=O)c2c1OC)-c1ccccc1C3=O 1547138865 VLUDQIMIVJQKTP-UHFFFAOYSA-N 437.455 4.404 10 40 IICB biogenic Cc1c(Br)c(O)c(Br)c(C)c1NS(=O)(=O)c1ccccc1 3292385 BDARNTHBRMJSFG-UHFFFAOYSA-N 435.137 4.335 10 40 IICB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C2=O)cc1Cl 13551221 GAXJEQWDBUDMTL-UNOMPAQXSA-N 449.894 4.423 10 40 IICB CC(=O)NC1=NC(=O)/C(=C\c2ccccc2OCc2ccc(Br)cc2)S1 32109976 VGIKCDFOOPOLOR-LICLKQGHSA-N 431.311 4.135 10 40 IICB O=C1/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)SC(=S)N1c1cccc(F)c1 32125034 YTZKVEWKWZFBKP-CXUHLZMHSA-N 436.511 4.224 10 40 IICB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OC 206910458 AKUGDHXIDRGTEF-GZTJUZNOSA-N 448.953 4.294 10 40 IICB CCCCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 408534332 VEPLDHKTBXONGN-LGMDPLHJSA-N 443.297 4.294 10 40 IICB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1 408959743 FAYFGUWZMRRILW-XMHGGMMESA-N 425.941 4.162 10 40 IICB CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccccn3)c2C)C(=O)N(c2ccccc2)C1=S 409018547 MUROONRBKPWUDF-LTGZKZEYSA-N 444.560 4.443 10 40 IICB CC(C)N1C(=O)/C(=C/c2c(Oc3ccccc3F)nc3ccccn3c2=O)SC1=S 2427494 OYKCYGZWDNXNSJ-WJDWOHSUSA-N 441.509 4.236 10 40 IICB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)c(C)n1-c1ccccc1 3329930 VBHDUPTWFKZDIL-XMMPIXPASA-N 433.533 4.122 10 40 IICB aggregator COC(=O)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 9010023 RFAJRKWQTJNEBK-TZRRMPRUSA-N 435.479 4.293 10 40 IICB O=C(NC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc2c(c1)OCO2 32127622 ZOIMDTZGCXDSHL-UHFFFAOYSA-N 438.892 4.427 10 40 IICB CCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1Br 408872819 JHIVDWSKYNYQMY-RAXLEYEMSA-N 447.260 4.043 10 40 IICB CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 408896247 WZVOGDONMJNIKN-ZHZULCJRSA-N 437.492 4.370 10 40 IICB O=C(NN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S)c1cccnc1 1242724 WDUVHTZGHXGWNJ-MOSHPQCFSA-N 447.541 4.207 10 40 IICB CC[n+]1ccc(C=C2Sc3ccccc3N2CCCS(=O)(=O)O)c2ccccc21 6134680 CEWATWAPTVGKAJ-UHFFFAOYSA-O 427.571 4.336 10 40 IICB COc1cc(OC)c(-n2c(C)cc(/C=C3\C(=N)N4N=CSC4=NC3=O)c2C)cc1Cl 9307790 MUJCKHJCMHKQFZ-ZVJWHDCISA-N 443.916 4.014 10 40 IICB CCSc1nnc(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1 9545031 OPSHUKWUJVJMQM-UHFFFAOYSA-N 441.559 4.156 10 40 IICB CCOc1cc(/C=C2\SC(=S)N([C@H](CC(=O)O)c3ccccc3)C2=O)ccc1O 11565458 FUYUHFVXJGBQGB-JQFNYASXSA-N 429.519 4.208 10 40 IICB COc1cccc2cc(-c3cc(=O)oc4c(CN5CCCCC5)c(O)ccc34)c(=O)oc12 11865128 MZSYBLIOFZAAGT-UHFFFAOYSA-N 433.460 4.267 10 40 IICB biogenic Cc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1ccc(F)cc1 13770794 PIQBAEHJJACIQW-LLXFEKPOSA-N 435.406 4.415 10 40 IICB O=C(Oc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1)c1cccs1 27062000 PPJKERXDELZNHS-ZCQLHAAUSA-N 431.560 4.348 10 40 IICB CCc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2OC)cc1 409331545 NQJSWAKUOGQNKT-XDHOZWIPSA-N 442.562 4.106 10 40 IICB C[C@@]1(O)CCN(Cc2ccccc2O)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 604383084 GYIONMZTLLZEIS-WPFOTENUSA-N 440.540 4.089 10 40 IICB biogenic,in-vitro O=C(NCc1ccccc1)c1c(NS(=O)(=O)c2ccccc2)sc2c1CCCC2 1412556 ZFJKVFXBWVAMMG-UHFFFAOYSA-N 426.563 4.358 10 40 IICB Cc1cc(C(=O)CSc2n[nH]c(=O)n2C2CC2)c(C)n1-c1ccc(Br)cc1 3396996 DJIZHIVMBGVPKO-UHFFFAOYSA-N 447.358 4.051 10 40 IICB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\Nc1ccc2ccccc2c1 106509907 JCOSPLUNKQNWBM-WJDWOHSUSA-N 425.872 4.376 10 40 IICB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1Br 223647281 OQRBZFCKYKDVSU-UHFFFAOYSA-N 446.322 4.490 10 40 IICB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C2=O)c1 408786210 HAOFJDDEQYTJSB-OEAKJJBVSA-N 443.503 4.468 10 40 IICB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cc(Br)cs2)C(=O)NC1=S 409096446 JTDSVKAJUZQSHK-IZZDOVSWSA-N 441.759 4.304 10 40 IICB Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)c(F)c3)C(=O)NC2=S)c(C)c1 409132124 OVUOIADREJJVCM-QGOAFFKASA-N 437.540 4.264 10 40 IICB COc1cc(/C=C2\SC(N3CCN(c4ccc(C)c(Cl)c4)CC3)=NC2=O)ccc1O 1851900 XKJVVZRFJQINFN-NDENLUEZSA-N 443.956 4.155 10 40 IICB COc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccc(OC)c3)SC2=S)cc1 8819150 KOPXTSWLPCYZOG-RGEXLXHISA-N 442.562 4.324 10 40 IICB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1 9491756 KBKLUOBNLYXYBA-SANMLTNESA-N 447.510 4.359 10 40 IICB COc1ccc(N2CCN(C(=O)Cc3csc4nc(-c5ccc(C)cc5)cn34)CC2)cc1 11665593 QXURMCTXSIDRNT-UHFFFAOYSA-N 446.576 4.271 10 40 IICB Cc1cc(C(=O)COC(=O)c2cccc(CN3CCCC3=O)c2)c(C)n1-c1ccccc1 13047212 JOIDAAPLVYTMRP-UHFFFAOYSA-N 430.504 4.256 10 40 IICB CCN(C(=O)COC(=O)c1sc2nc(C)cc(C)c2c1N)c1nc2ccccc2s1 23077148 NPEOBSBQHUIZKV-UHFFFAOYSA-N 440.550 4.315 10 40 IICB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc2oc(=O)ccc2c1 33581976 FAKUIOIIOOKXFZ-SFQUDFHCSA-N 440.502 4.006 10 40 IICB O=C1C[C@H](c2ccc3c(c2)OCO3)c2c(c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)O1 96115720 WFJSPEUJUTTXLH-CQSZACIVSA-N 444.395 4.041 10 40 IICB biogenic Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1ccc(O)cc1 223227736 ZRPICFQVUYUOHV-ZEQRLZLVSA-N 449.624 4.119 10 40 IICB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(F)cc1 223267434 DVSCXFJIWVJNMC-PKTZIBPZSA-N 437.588 4.162 10 40 IICB COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)cc1 223269948 AIOVIJKEGWHLSL-RPWUZVMVSA-N 449.624 4.032 10 40 IICB CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/N(CC)c2ccccc2)SC1=S 256055912 YWPYMVSFPFPELD-ZWVASEPXSA-N 440.590 4.389 10 40 IICB CCc1nnc(S/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3C)c2C)C(=O)O)o1 408630716 CFBRZNKSOBOINX-WOJGMQOQSA-N 441.509 4.352 10 40 IICB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1Cl 409012688 LDSKOIUVDXOMHA-HNEYUBDGSA-N 428.872 4.192 10 40 IICB CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc1OC 409347444 QAPARZDCYWOQBH-UEMWTREESA-N 448.591 4.480 10 40 IICB CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(O)cc1 8655707 MIRGMJHQJKSMSS-PDGQHHTCSA-N 428.282 4.422 10 40 IICB CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/C(Cl)=C\c2ccc([N+](=O)[O-])cc2)SC1=S 8700759 PRYFAIRNMBRKEO-WRPDBDAZSA-N 426.903 4.028 10 40 IICB COc1ccccc1N1CC(=O)N(c2ccc(C)c(C)c2)[C@H](c2ccc(N(C)C)cc2)C1=O 15412728 WNGBJPWHXDGAJZ-AREMUKBSSA-N 443.547 4.499 10 40 IICB CCN(CC)c1cc2[nH]c(O)nc2cc1N/C=C1\C(=O)N(c2cccc(Cl)c2)N=C1C 408535895 UNCMALLADZVQTN-VBKFSLOCSA-N 438.919 4.487 10 40 IICB CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)NC2=S)cc1 409375052 DUMJFPHKYHEIOR-CPNJWEJPSA-N 447.472 4.249 10 40 IICB CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)S1 13895824 JCVBCEDIEHEPCW-YVLHZVERSA-N 431.311 4.135 10 40 IICB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)C1=O 16162413 APTZZSGCTNCJHI-CXUHLZMHSA-N 438.281 4.159 10 40 IICB CN(C)c1ccc([C@@H](CNC(=O)c2cccc(F)c2)N2CCN(c3ccccc3)CC2)cc1 16914527 NAUMKODRWOXYRW-AREMUKBSSA-N 446.570 4.185 10 40 IICB CSCC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(N(C)C)cc1 18214917 VSYXRCLBUQTAFB-JOCHJYFZSA-N 441.641 4.218 10 40 IICB COc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1C 33928401 CCNKOJUNOBGSJR-OXLNKUOFSA-N 447.442 4.284 10 40 IICB CCOC(=O)c1c(C)n(-c2cccc(Cl)c2)c2ccc(O)c(CN3CCOCC3)c12 38428435 YHCKWSJYNLQHTM-UHFFFAOYSA-N 428.916 4.307 10 40 IICB CCOC(=O)N1CCC2(CC1)N=C(c1ccccc1O)C[C@H](c1cc(Cl)ccc1O)N2 64775590 UPGAWQMIJZZZCO-LJQANCHMSA-N 443.931 4.224 10 40 IICB biogenic Cc1c(Br)ccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c1C 408526170 ATNSRRHAGQARGO-FMIVXFBMSA-N 448.704 4.298 10 40 IICB COc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(C(C)C)cc3)C2=O)c(OC)cc1Cl 408774983 DXTRJHQSCKLNAP-OQLLNIDSSA-N 428.872 4.147 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(Cl)c1OCC 408808445 PQVBDAIRVULDOB-MHWRWJLKSA-N 442.899 4.421 10 40 IICB Cc1ccccc1N1O[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]1c1ccc(N(C)C)cc1 102865264 OWNXZFIABYXDMT-HJOGWXRNSA-N 445.494 4.251 10 40 IICB Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1ccc(F)cc1 106755933 GBEBUYDQLJZLPP-MOSHPQCFSA-N 441.528 4.282 10 40 IICB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C(=O)O)ccc2C)c1C 222792065 KCEICYKPYNNIDU-FGZHOGPDSA-N 434.565 4.488 10 40 IICB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3ccc(N(C)C)cc3)ccc2C)cc1 224100946 VYJGVVGVYCAURR-UHFFFAOYSA-N 437.565 4.100 10 40 IICB Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2\SC(=S)N(C)C2=O)cc1 9762190 PFCZEBYMOXDDCT-PDGQHHTCSA-N 430.507 4.192 10 40 IICB COc1ccc(CCN2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1OC 12274954 XXHKGBUWHTYPHD-PDGQHHTCSA-N 430.507 4.056 10 40 IICB CN(C)c1ccc(/C=C2/SC(N3CCN(c4ccc(Cl)cc4)CC3)=NC2=O)cc1 36092154 ZYBFYKHJPZCCGZ-HMMYKYKNSA-N 426.973 4.199 10 40 IICB CCOc1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1 49003850 UOKQSEKIQDRYMR-UHFFFAOYSA-N 432.929 4.128 10 40 IICB CC[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O 223950511 HEJXFXZXLCDJDC-JOCHJYFZSA-N 445.629 4.011 10 40 IICB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 408893960 OZPWUXDAHYTJPD-ODLFYWEKSA-N 437.492 4.206 10 40 IICB Cc1ccc(C)n1-c1ccsc1-c1cc2nccc(-c3cnc4n(c3=O)CCS4)n2n1 1403924 PHIFJJNXSRSSBA-UHFFFAOYSA-N 446.561 4.195 10 40 IICB CCOC(=O)c1sc(N2N=C(C)/C(=C\c3ccc(OCC)cc3OCC)C2=O)nc1C 8815825 GQRQSLYKDXHWPP-GZTJUZNOSA-N 443.525 4.232 10 40 IICB COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)c1 223269624 NUAPSWJNEVCAED-DNQXCXABSA-N 449.624 4.032 10 40 IICB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C)c1C 223686843 DECDABOBUIRWRL-ZEQRLZLVSA-N 448.592 4.333 10 40 IICB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)cc1 408986554 MYHONIMWQVMHBN-KQWNVCNZSA-N 426.472 4.494 10 40 IICB CCc1cccc2c(/C=C3\SC(=S)N(CC)C3=O)cn(CC(=O)N3CCCC3)c12 409133331 QFZLPJKKBRAPIV-PDGQHHTCSA-N 427.595 4.047 10 40 IICB COc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)NC2=S)c1 2389431 IZQPJYVURAGPDS-LPYMAVHISA-N 445.544 4.242 10 40 IICB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1 9234440 WZOYVIZKGZTZMW-ATVHPVEESA-N 437.249 4.376 10 40 IICB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)c(C)n1-c1ccccc1 9585346 UYGHYBNIEOKWKM-DEOSSOPVSA-N 435.911 4.397 10 40 IICB COc1cc(/C=C2/SC(Nc3ccc(C)cc3C)=NC2=O)cc(OC)c1OC(C)=O 97990641 XWYNFYCPYIEAPW-YBFXNURJSA-N 426.494 4.328 10 40 IICB Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1C 223620543 CNCAMGWHUMTWCA-ISKFKSNPSA-N 434.609 4.461 10 40 IICB CN(C)c1ccc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1Br 409365369 YBMBBBFLYIDTFX-WQRHYEAKSA-N 445.338 4.434 10 40 IICB CC(=O)N1CCCCCCCN(Cc2nccs2)Cc2cc(N3CCOCC3)ccc21 643563386 UFFKHHCKAMEUPG-UHFFFAOYSA-N 442.629 4.299 10 40 IICB O=C(NN1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S)c1ccc(Cl)cc1 10232936 YPPLXSSCYGNEOO-YVLHZVERSA-N 428.922 4.205 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3O)C2=O)cc1Cl 409049234 VTYCELBNTYFEML-LFYBBSHMSA-N 425.655 4.327 10 40 IICB COc1ccc(/C=C2/SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc1OC 2407791 KLMUZHPZYMNQHX-DEDYPNTBSA-N 443.956 4.150 10 40 IICB O=C(Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1F)c1ccc(Cl)cc1 8810094 OAGOTEJGFOWEMK-UHFFFAOYSA-N 448.859 4.261 10 40 IICB C[C@@H](Oc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3Cl)C(=O)N=C2O)cc1)C(=O)O 8861650 QBNRXLOFIVAIOK-DOQDJBIESA-N 449.246 4.352 10 40 IICB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c1 12507889 LENLCPSRXVAYBB-UHFFFAOYSA-N 434.514 4.044 10 40 IICB COc1cc(/C=C2\SC(Nc3ccc(C)cc3C)=NC2=O)cc(OC)c1OC(C)=O 13039435 XWYNFYCPYIEAPW-ODLFYWEKSA-N 426.494 4.328 10 40 IICB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccc(Cn2cnnc2)cc1 102965015 VFAVIQRDUZUHKC-QJOMJCCJSA-N 430.512 4.224 10 40 IICB COCCN1C(=O)/C(=C/c2cn(C(C)C)c3ccccc23)C(=O)N(c2ccccc2)C1=O 409012156 JHBBBXLTEIGMRP-QNGOZBTKSA-N 431.492 4.247 10 40 IICB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCC3)c(F)c2)C1=O)Nc1ccc(F)cc1 409068508 RSOUNLSDYYOAHL-UNOMPAQXSA-N 443.475 4.240 10 40 IICB O=C1NC(=O)N(CCc2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 2276167 KLPFHOWWQPCFHN-XQNSMLJCSA-N 444.462 4.109 10 40 IICB Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)c1 9210120 BVDDWNPRFNPZJM-JXOFPYFMSA-N 440.532 4.465 10 40 IICB Cc1oc2c(CN3CCOCC3)c(O)ccc2c(=O)c1-c1ccc(Br)cc1 20437916 TXQMKDFBLMYJOC-UHFFFAOYSA-N 430.298 4.069 10 40 IICB biogenic Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)o1 33912670 SKCXYJJBDROKPM-XGRCKQMDSA-N 449.370 4.345 10 40 IICB COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)c1 894251 TVZKIRVJCCVIQC-UHFFFAOYSA-N 438.465 4.140 10 40 IICB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NC(C)(C)C)C2=O)cc1 8820115 IDCUMJQMRIRRRS-VKAVYKQESA-N 448.610 4.150 10 40 IICB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC 9262707 UGYAXVWQMBJZHI-HNEYUBDGSA-N 444.940 4.357 10 40 IICB CCN(CC(=O)N[C@@H](C)c1ccc(F)cc1)Cc1ccc(N2CCC(OC)CC2)cc1 58440539 VGKOQFZMLMBBTR-IBGZPJMESA-N 427.564 4.140 10 40 IICB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccc(OC)cc1 223076927 GOGQHYQJTFVPHM-XZOQPEGZSA-N 436.581 4.198 10 40 IICB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(Cc4ccccc4)c3C)C2=O)c1 408967966 YHIZMYIOESXIGP-OEAKJJBVSA-N 427.504 4.436 10 40 IICB Cc1cc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)O)C3=O)c2C)ccc1Br 409130359 HJYLEPPVBBFWRL-LZYBPNLTSA-N 449.326 4.286 10 40 IICB CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=O)N(C4CCCCC4)C3=O)c2c1 2065607 KAOGWEQMIJVAPH-RCCKNPSSSA-N 436.508 4.432 10 40 IICB Cc1ccc(-c2ccc(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)o2)c([N+](=O)[O-])c1 2700853 ILYQNFNUADOPGS-YBEGLDIGSA-N 432.479 4.229 10 40 IICB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1cccc(F)c1 8819605 NYHMESGQQKRFFB-ZDLGFXPLSA-N 444.509 4.175 10 40 IICB COc1ccc(N2CCN(C(=O)CSc3nc(-c4ccc(F)cc4)cs3)CC2)cc1 8824766 BGNIUMBVQZKQCC-UHFFFAOYSA-N 443.569 4.399 10 40 IICB CN1C(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2Cl)C(=O)N(C)C1=S 59140011 LVIKRGIUALMFOJ-UHFFFAOYSA-N 435.332 4.171 10 40 IICB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1Br 408802271 XXPFUWMSWRQPJA-FMIVXFBMSA-N 449.688 4.168 10 40 IICB Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(O)cc4)c3C)C(=O)NC2=S)c1 409012778 KOAQABSBWMTXBW-LPYMAVHISA-N 445.544 4.248 10 40 IICB Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(F)cc3)C(=O)NC2=S)cc1Cl 409234607 LWVCMHLZQSHTRE-WOJGMQOQSA-N 439.899 4.410 10 40 IICB Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 9633774 OGPPZRWLCROHRX-IBGZPJMESA-N 435.549 4.314 10 40 IICB O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223923163 XGNSXGWBUJKAGX-UHFFFAOYSA-N 435.549 4.018 10 40 IICB CCOc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OCC 408900499 TVWZSOPNCNAHBC-LICLKQGHSA-N 442.899 4.421 10 40 IICB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4ccccc4C)c3C)C2=O)cc1 8399292 XYSPQEWXKRYRJV-HYARGMPZSA-N 442.519 4.242 10 40 IICB CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(C4CCCC4)c3C)C(=O)NC2=S)cc1 9113099 LWRSDBFNHULMRR-STZFKDTASA-N 437.565 4.450 10 40 IICB CC[C@H](C)OC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1CCCC2 102345795 ZRTARTCKEOUQGK-LYHUEXMXSA-N 431.554 4.434 10 40 IICB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 137615971 SSTLTKMMSXUQJD-UHFFFAOYSA-N 431.897 4.389 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3c(C)cc(Br)cc3C)C2=O)cc1C 408537184 ZKQJYPHJSFMNNK-LICLKQGHSA-N 442.313 4.262 10 40 IICB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1OCC 409233423 KIZJTSIGECWVGF-MHWRWJLKSA-N 444.940 4.277 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3c[nH]c4ccc(Br)cc34)C2=O)cc1C 9259873 BCQVDFWLIVLGLG-IUXPMGMMSA-N 438.281 4.214 10 40 IICB CC(=O)[C@H]1[C@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccc(C)cc3N21 9307979 OFCMPHRWWYSXAE-SDHOMARFSA-N 434.495 4.412 10 40 IICB Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)NC2=S)cc1 9425299 PXKFXSILOJRNSH-BKUYFWCQSA-N 433.508 4.373 10 40 IICB COc1ccc(/C=C2/Sc3scc(-c4ccc([N+](=O)[O-])cc4)[n+]3C2=O)cc1OC 17223160 FBGPUGOGZRSDBF-VCHYOVAHSA-N 427.483 4.415 10 40 IICB Cc1cc(Br)cc(/C=C2/C(=O)NN(c3cc(Cl)cc(Cl)c3)C2=O)c1O 32099498 SLQBECIOEYGIRA-CPSFFCFKSA-N 442.096 4.231 10 40 IICB Cc1cc(C(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c(C)n1-c1ccc(Cl)cc1 34878943 QUZIVFVBYLJFIK-UHFFFAOYSA-N 434.927 4.299 10 40 IICB N/N=N\c1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 64219205 WARNVRCACIMIPA-QFIPXVFZSA-N 430.464 4.178 10 40 IICB Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)c2C)c1 223620744 BFVHYNAKOYNGHR-DNQXCXABSA-N 434.609 4.461 10 40 IICB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 224077478 UTWAKXRVVOUWOL-UHFFFAOYSA-N 437.565 4.134 10 40 IICB Cc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1NS(=O)(=O)c1ccccc1 224100413 IVNVHQRLQXQKDS-UHFFFAOYSA-N 437.565 4.134 10 40 IICB CCN(CC)c1ccc(CNC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 225673593 FVNRPXLRHMQUDL-UHFFFAOYSA-N 445.629 4.012 10 40 IICB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\Nc3ccc(Br)c(Cl)c3)C2=O)c1 408531109 NFSPFMDVRXNHOR-UKTHLTGXSA-N 448.704 4.298 10 40 IICB Cc1nn(CC(C)C)c2sc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc12 9836809 YWHVBNIFGIJOHT-UHFFFAOYSA-N 426.586 4.171 10 40 IICB Cc1cccc(OCCCOc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2)c1 13940828 QWAXIBAWCORMOX-MOHJPFBDSA-N 428.488 4.304 10 40 IICB C[C@@H](Oc1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3Cl)C(=O)N=C2O)cc1)C(=O)O 33149414 QBNRXLOFIVAIOK-WWNSAXIVSA-N 449.246 4.352 10 40 IICB O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1cccc2nonc12 33538089 TXMBCPTUVNTURE-XNTDXEJSSA-N 444.925 4.106 10 40 IICB CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(N(CC)CC)cc1 40484580 JECBTJAMEOBWGI-QHCPKHFHSA-N 446.555 4.451 10 40 IICB COc1cccc2ccc(/C=C3\SC(=S)N(c4ccc(C(=O)O)c(O)c4)C3=O)nc12 54360838 ZAXTWEZJSHMDAQ-MFOYZWKCSA-N 438.486 4.053 10 40 IICB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/NC1=CC=C[C@H]2C(=O)c3ccccc3C(=O)[C@H]12 101128747 AAUDKFJWTSXTGY-VJKPHSSJSA-N 437.499 4.265 10 40 IICB Cc1cc2nc3s/c(=C\c4cc(C)n(-c5cccc([N+](=O)[O-])c5)c4C)c(=O)n3c2cc1C 408781426 ADPOKXDGMVNHDZ-JJFYIABZSA-N 444.516 4.389 10 40 IICB O=C(NN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)c1cccs1 409342217 ATJMBGVCVXVYRP-XYOKQWHBSA-N 425.354 4.057 10 40 IICB COc1ccccc1CN/C(C)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 112291552 OKNUBXCIONKMHP-QJOMJCCJSA-N 442.475 4.418 10 40 IICB Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c1C 223583051 KJHFJXQQAJIQBK-VXKWHMMOSA-N 441.000 4.416 10 40 IICB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)c2C)nc1 409012800 KVXTXNQRYNWGTK-CIAFOILYSA-N 444.560 4.246 10 40 IICB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1Cl 409168881 UVIDFPLTYNFWQR-JMRXEAOASA-N 444.940 4.357 10 40 IICB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 58866009 TYFAWTAZFASRLU-UHFFFAOYSA-N 440.364 4.049 10 40 IICB Cc1ccnc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)c2C)c1 260922586 QDZQMMTZOUETNQ-CTUHWIOQSA-N 447.608 4.344 10 40 IICB CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc([N+](=O)[O-])c1O 409331850 OUBZAHATKWWRBB-MHWRWJLKSA-N 432.479 4.114 10 40 IICB CN1/C(=C/C=C/c2n(C)c3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[n+]2C)C(C)(C)c2ccccc21 6134685 ODVPEBDDOWWMMT-UHFFFAOYSA-N 434.476 4.144 10 40 IICB COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC=C(C)C5=C[C@@H]43)C[C@@H]2C)cc1 105369080 QCFMNECCTNFCRH-OONXPTISSA-N 436.596 4.440 10 40 IICB biogenic COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NCc2cccs2)cc1 112294563 NXVDMVFJPHQGQH-QNGOZBTKSA-N 448.504 4.480 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 408739552 COUAPGPJQSYKGK-RCCKNPSSSA-N 442.471 4.331 10 40 IICB CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=O)N(c4ccccc4F)C3=O)c2c1 408772808 FWBPBLMJKQSZSH-XMHGGMMESA-N 448.450 4.443 10 40 IICB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)C2=O)cc1 409023581 ZEVIWVIHVWVNRT-WSDLNYQXSA-N 446.482 4.073 10 40 IICB CN(C)c1ccc(/C=C(\C(=O)N2CCC(Cc3ccccc3)CC2)n2ccccc2=O)cc1 9113086 LSHIJLFALJLGCM-YYADALCUSA-N 441.575 4.394 10 40 IICB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c1C 13471351 VTXCABQQTASRJY-WQRHYEAKSA-N 437.883 4.311 10 40 IICB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1OC(C)C 408806347 BBZOYYDMTCGWLQ-CXUHLZMHSA-N 442.899 4.419 10 40 IICB CCOc1cc(C[C@@H]2SC(=S)N(CCOC)C2=O)ccc1OCc1cccc(F)c1 409144620 LKEDNIKQOUTJLN-FQEVSTJZSA-N 449.569 4.221 10 40 IICB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)cs2)C1=O 409246910 KXKASOFEZJGQIW-IZZDOVSWSA-N 425.691 4.139 10 40 IICB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc2ccccc2c1 409390072 DOZLWXRMAKAIFH-HZHRSRAPSA-N 436.471 4.309 10 40 IICB CCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccccc4C)cc3)C(=O)N=C2S1 9042183 PLPZVLWDSMRPQS-ZUGBYVCQSA-N 434.521 4.482 10 40 IICB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(Sc4ccccc4)o3)C2=O)cc1 9348508 SLXQOEUZLHZIAX-RGEXLXHISA-N 434.473 4.496 10 40 IICB Cc1nn(-c2ccccc2)c(Cl)c1/C=C1/C(=N)N2N=C(C(F)(F)F)SC2=NC1=O 41076271 DCQPZRRSQJDOHK-HGYZZIEJSA-N 438.822 4.016 10 40 IICB COc1ccc(N2N=C(C)/C(=C\Nc3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)cc1 408758398 ZHSVHPCHBATSCS-FYJGNVAPSA-N 446.467 4.124 10 40 IICB CCOc1ccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)cc3)SC2=S)cc1 409345299 LGYBHGWLEIWFRA-HMMYKYKNSA-N 426.563 4.328 10 40 IICB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)c2)cc1 15596501 LTTUYNWBHRGGGY-UHFFFAOYSA-N 437.565 4.134 10 40 IICB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1cccc(Cl)c1C 19637163 OUDZWNUKLSMRSV-MOSHPQCFSA-N 442.859 4.208 10 40 IICB Cc1oc2c(CN3CCOCC3)c(O)ccc2c(=O)c1Oc1ccccc1Br 20358191 FNVDVHHMSGQLHY-UHFFFAOYSA-N 446.297 4.194 10 40 IICB biogenic COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccccc1OC(F)(F)F 112293193 MXYBFVPYXZTBLO-UYRXBGFRSA-N 433.386 4.237 10 40 IICB CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)c2C)cc1 408751855 CWWRSXSLJQNGCO-PXLXIMEGSA-N 429.545 4.488 10 40 IICB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3c(C)nn(-c4ccc(C)cc4C)c3C)C2=O)c1 408755852 GCSPJKARELYNFV-FYJGNVAPSA-N 428.492 4.081 10 40 IICB COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 409055687 AJNFLSUFVHJVSU-UYRXBGFRSA-N 441.524 4.276 10 40 IICB O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 1155789 GXBPWSJCWMGQNR-HYARGMPZSA-N 430.435 4.067 10 40 IICB CCOc1cc(Cl)c(Cl)c([C@H]2NC(=O)c3c(sc4c3CCN(C)C4)N2)c1O 9333882 NYAOIZJXJZAAAS-INIZCTEOSA-N 428.341 4.001 10 40 IICB O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 26509930 UWGHIIVMJODBSH-IPJDOKCGSA-N 434.336 4.476 10 40 IICB COc1ccc(N2CCN(C(=O)c3ccc(-c4cccc(Cl)c4)o3)CC2)c([N+](=O)[O-])c1 35362893 VQGDLUXQMTUHOC-UHFFFAOYSA-N 441.871 4.479 10 40 IICB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1O 223310346 LJMSHESNMDDLKS-NTUVXCKYSA-N 448.592 4.346 10 40 IICB CCn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)ccc21 223351054 RXMAMUOZEJLVIE-UHFFFAOYSA-N 435.914 4.192 10 40 IICB COC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1C 224601735 RTCRSNFIYPNGFN-SJLPKXTDSA-N 430.570 4.057 10 40 IICB Cc1cccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c1 408529191 CJQLXARGSPGUGA-JXAWBTAJSA-N 444.418 4.020 10 40 IICB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3Cc3cccc(C)c3)C2=O)cc1Cl 13551605 PAFTYPIXJGJYCI-XDHOZWIPSA-N 449.894 4.173 10 40 IICB CCCCOc1ccc(-c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)[nH]n2)cc1 72331244 FJCREYWSCQIWRP-UHFFFAOYSA-N 434.540 4.227 10 40 IICB Cc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1C(=O)NCC(C)C 223259930 KDHZAUUEGOCNBG-UHFFFAOYSA-N 429.567 4.305 10 40 IICB COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1Cl 409056143 KWRABFRPJCBUFZ-UXBLZVDNSA-N 425.655 4.322 10 40 IICB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC 409137999 YCZCVHDZCJJDHL-IQFISFIMSA-N 438.549 4.321 10 40 IICB CCCCN1C(=O)/C(=C/c2c(NCC(C)C)nc3c(C)cccn3c2=O)SC1=S 2248134 DVXKSNGMCGXSIR-WJDWOHSUSA-N 430.599 4.072 10 40 IICB COc1ccc(Nc2cc(N3CCNCC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 2305765 FYOKBIUDOSIEKB-UHFFFAOYSA-N 426.476 4.201 10 40 IICB O=C(COC(=O)/C=C/c1ccccc1Cl)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9633290 OHIDBKBIBYYZFI-FMIVXFBMSA-N 445.858 4.311 10 40 IICB COc1ccc(N2CCN(C(=O)c3sc4nc(-c5ccccc5)cn4c3C)CC2)cc1 16992617 LPUHFMYRSCYZFV-UHFFFAOYSA-N 432.549 4.342 10 40 IICB C#CCOc1cc(Br)c(/C=C2\SC(=S)N(CC)C2=O)cc1OCC 107551293 XYYMFGPRLWNVKZ-DHDCSXOGSA-N 426.357 4.081 10 40 IICB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc(Cl)c1 223576914 PFNPLJPMDYPBCJ-LEWJYISDSA-N 426.973 4.107 10 40 IICB COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2cc(C)ccc2C)C1=O 409241475 XTYPWYPXGZEJJU-XSFVSMFZSA-N 449.576 4.134 10 40 IICB O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(C(=O)O)cc1 1798933 IJMKESOCHONJBW-PTNGSMBKSA-N 432.548 4.066 10 40 IICB CCn1cc(/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)N=C2O)c2ccccc21 33331194 QVPJOOWSRRTJKM-RGEXLXHISA-N 447.491 4.223 10 40 IICB CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(OC)c1 98086265 KSQVIGJUVJOYHJ-WOJGMQOQSA-N 443.956 4.026 10 40 IICB COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)cc1 223270005 AIOVIJKEGWHLSL-BJKOFHAPSA-N 449.624 4.032 10 40 IICB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Oc4ccc(F)cc4)cc3)C2=O)cc1 408739783 FQDMCJOXUMEIRS-KGENOOAVSA-N 432.407 4.293 10 40 IICB CN1CCc2cc([C@H](CNC(=O)c3cccc(Br)c3)N3CCCC3)ccc21 8963326 GBTOURMXOCOPRY-NRFANRHFSA-N 428.374 4.008 10 40 IICB CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCCOc2ccccc2)SC1=S 9113120 YRGPCTXCPBZJFZ-AQTBWJFISA-N 430.507 4.274 10 40 IICB Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1S(=O)(=O)Nc1ccccc1 10112164 FBBATNQNHSKOAN-UHFFFAOYSA-N 449.576 4.326 10 40 IICB CCN(CC)c1ccc(/C=C2/SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1 20057517 RAMAIAWJSLEKAH-PTGBLXJZSA-N 434.609 4.321 10 40 IICB COC(=O)c1[nH]c2ccccc2c1/C=C1\SC(=S)N(c2ccc(C(=O)O)cc2)C1=O 102731609 ZYIJZYQMDHLRTD-YBEGLDIGSA-N 438.486 4.059 10 40 IICB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCCCC1 408533938 PPHKYRZZGLMRHF-JXAWBTAJSA-N 430.512 4.286 10 40 IICB COc1cc(NC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc(OC)c1 35597174 AGRSDMHGTZFXJQ-DEOSSOPVSA-N 438.572 4.045 10 40 IICB CCOc1cc(N2CCOCC2)ccc1[C@@H]1[C@H](c2ccccn2)N=C2SC[C@@H](CC)N21 222681320 OBBXZXBQOCMUKE-MQNAVGNWSA-N 438.597 4.296 10 40 IICB Cc1c(C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cccc1N(C)S(C)(=O)=O 260512432 WPKAYSRLFKEDFH-PKOBYXMFSA-N 443.613 4.118 10 40 IICB O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(Br)s1 409096587 KPSUSKDTOFKVQQ-SOFGYWHQSA-N 446.109 4.484 10 40 IICB Cc1ccc(OCCCOc2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2)cc1 8453153 LFNOYHLDMLLSKM-HKOYGPOVSA-N 428.488 4.304 10 40 IICB Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C(C)C)C2=O)c1 9157969 JURCBIQGXFFTQM-ATVHPVEESA-N 437.546 4.405 10 40 IICB CCOc1ccc(C2=NC3(CCN(C(C)=O)CC3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 65298016 MUXHXDRZGNEOFO-QFIPXVFZSA-N 441.959 4.307 10 40 IICB biogenic COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(Cl)cc1C 112291633 TZUBCBLGSXEMAR-MOSHPQCFSA-N 442.859 4.208 10 40 IICB Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1NS(C)(=O)=O 218587991 OVFRATNFRMPIQV-SJLPKXTDSA-N 429.586 4.094 10 40 IICB COCCN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)C(=O)N(c2ccccc2)C1=O 409012117 IVNQJENHCZTJAK-HKWRFOASSA-N 434.423 4.111 10 40 IICB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3OCC)C(C(=O)OC)=C2C)cc1 409016261 GDGYUEBDEPRLLF-HKWRFOASSA-N 435.476 4.139 10 40 IICB Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(N4CCOCC4)c(F)c3)C2=O)cc1 409126502 BNSAGFIXQWFZCA-QNGOZBTKSA-N 442.512 4.086 10 40 IICB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1cccnc1 409237356 WDNAYGRSBIHXTN-LPYMAVHISA-N 444.560 4.444 10 40 IICB COc1cc(OC)cc([C@@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3O)CCCC5)=NN2)c1 12296561 FWQKTFSWDDFIIM-IBGZPJMESA-N 434.492 4.142 10 40 IICB biogenic COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccccc1F 13940136 QBKVGEIORPJMJK-MFOYZWKCSA-N 434.876 4.173 10 40 IICB CCOc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(SC)SC3=NC2=O)c1C 41083562 PJSTYWQYGZMXKC-AXPJIBDUSA-N 439.566 4.433 10 40 IICB CCN(CC)c1ccc(N/C=C2/C(=O)N=C(S)N(c3cccc(Cl)c3)C2=O)cc1 103097120 RVKSNXLGAPKSJD-AQTBWJFISA-N 428.945 4.341 10 40 IICB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 103919223 RZTVDNYXOCTHHW-QNGOZBTKSA-N 435.480 4.149 10 40 IICB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1ccccc1 223223282 REQKMLVTPIFLJT-RPWUZVMVSA-N 433.625 4.413 10 40 IICB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1Cl 223576627 SSLCJOUKSNSFOC-NHCUHLMSSA-N 426.973 4.107 10 40 IICB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1Br 408693909 BBNPUYHEWDMPQE-XBUHWIKASA-N 435.318 4.031 10 40 IICB Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccccc3Br)SC2=S)cc1 9188751 FQYBHWQCPJEEOP-GDNBJRDFSA-N 433.352 4.304 10 40 IICB Cc1cc(C(=O)COC(=O)c2ccc(O)cc2O)c(C)n1-c1ccc(OC(F)F)cc1 13118071 WPJHSZHAINKIHI-UHFFFAOYSA-N 431.391 4.146 10 40 IICB CCOc1cc(/C=C2\SC(N(C)c3ccc(Cl)cc3)=NC2=O)ccc1OCC(=O)O 15016207 VQCYZORFWOCFLK-WQRHYEAKSA-N 446.912 4.309 10 40 IICB CC(=O)N1[C@@H](C(=O)NCCc2ccc(Cl)cc2Cl)CS[C@@H]1c1ccccc1O 27118080 FJSDNEAOAGLFTO-YLJYHZDGSA-N 439.364 4.020 10 40 IICB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 69435929 CMMXOCOVGNSAKH-RPBOFIJWSA-N 438.568 4.132 10 40 IICB Cc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 409133143 ZTVAXMNIMIDGJL-MOSHPQCFSA-N 446.488 4.403 10 40 IICB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)OCC(C)C)C2=O)o1 409202507 RJBQTBGFQSIAFW-NVMNQCDNSA-N 443.477 4.189 10 40 IICB CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409339586 WOVDZRCNMXOPOA-ODLFYWEKSA-N 442.562 4.208 10 40 IICB Cc1ccc2occ(CN(CCCn3ccnc3)Cc3ccc(N(C)C)cc3)c(=O)c2c1 13991162 MSALVUZBOPMDTG-UHFFFAOYSA-N 430.552 4.456 10 40 IICB Cc1cccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)c1 17135494 UQIOKDNLAIATCS-RUZDIDTESA-N 435.593 4.143 10 40 IICB COC(=O)CN1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S 409200860 JUGOQKWJEFUVDR-ZSOIEALJSA-N 427.425 4.340 10 40 IICB O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 12130572 UBCIKZQFZPMNKY-BAAYTWLHSA-N 434.336 4.476 10 40 IICB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(N3CCCC3)c2)ccc1Cl 40146373 LWCICAKVPKYZBK-UHFFFAOYSA-N 435.977 4.223 10 40 IICB COc1ccc(Cl)c2ccc(/C=C3\SC(=S)N([C@H](C(=O)O)C(C)C)C3=O)nc12 54360931 RHFBJJRBXZQROT-VCHSTOLQSA-N 436.942 4.207 10 40 IICB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 409242151 MYBXNINSNAPZSZ-HYARGMPZSA-N 442.519 4.453 10 40 IICB CCN(CC)Cc1c(O)ccc2c1c1ccnc3c4ccc(OC)c(OC)c4c(=O)n2c13 8792339 RFCSBBBTTUECSD-UHFFFAOYSA-N 431.492 4.157 10 40 IICB biogenic COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1Br 14414421 LTIXEMCLMVWQSW-PDGQHHTCSA-N 442.309 4.331 10 40 IICB CCc1ccc(N2C(=O)/C(=C\c3cccn3CCCOc3ccccc3)C(=O)N=C2O)cc1 17196223 DKLMNHSRMHENHB-NKFKGCMQSA-N 443.503 4.390 10 40 IICB O=C1NC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1ccccc1O 408940765 VAFBLNDUMFNIOZ-CPNJWEJPSA-N 448.862 4.291 10 40 IICB COc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1OCc1ccc(Cl)cc1 1024479 PTZRHJKDNQVHKV-MFOYZWKCSA-N 449.937 4.213 10 40 IICB O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1)c1ccc(F)cc1 9868103 YZXMDWCKOFNIDN-UHFFFAOYSA-N 446.934 4.142 10 40 IICB CCc1cccc2c(/C=C3\SC(=S)N(CC)C3=O)cn(CC(=O)N3CCCCC3)c12 409136436 UPJWAUKFDHKQLW-UYRXBGFRSA-N 441.622 4.437 10 40 IICB NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 409209271 FBCGTDQMEIUSOE-VIZOYTHASA-N 439.345 4.263 10 40 IICB O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc2c(c1)OCO2 1894851 MUPQBMANBITLKT-YBEGLDIGSA-N 432.548 4.097 10 40 IICB CCCOc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)OC)C2=O)cc1OC 13532868 PJHCOEZDCKVPKR-NBVRZTHBSA-N 437.583 4.419 10 40 IICB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OC(C)C)c(Br)c2)C1=O 14133149 MLEUPKPKRHKXLC-XNTDXEJSSA-N 443.297 4.211 10 40 IICB COc1ccc(N2CCN(C(=O)c3cc(=O)c4cc(Cl)cc(Cl)c4o3)CC2)cc1 27793025 IBUAWLDSNDTQAY-UHFFFAOYSA-N 433.291 4.071 10 40 IICB Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2)c1 408884975 WJRCOCBDVAOUSE-HZHRSRAPSA-N 426.472 4.266 10 40 IICB CCOc1ccc(N2C(=O)/C(=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)SC2=S)cc1 409342689 CFLRRLVHIKKCKS-MHWRWJLKSA-N 432.479 4.114 10 40 IICB CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)OC 409351138 ZNMCNLSDUQKCFI-UNOMPAQXSA-N 443.546 4.351 10 40 IICB COc1ccc(CCN2C(=O)/C(=C/c3nc4ccccc4[nH]3)SC2=S)cc1OC 8821702 CIDXSFVPUHQPKI-PDGQHHTCSA-N 425.535 4.024 10 40 IICB N=C1/C(=C/c2cccc3ccccc23)C(=O)N=C2SC(c3ccc4c(c3)OCO4)=NN12 9500630 SVCYJWYDOLKDKJ-UTQUROFUSA-N 426.457 4.236 10 40 IICB CCCOc1ccc(Br)cc1/C=C1/SC(=S)N(CCC(=O)OC)C1=O 28048175 MPEFTDYUKCJWEX-GXDHUFHOSA-N 444.372 4.002 10 40 IICB CC(=O)NC1=NC(=O)/C(=C\c2ccc(OCc3cccc(F)c3)c(Br)c2)S1 32111755 YQZTUCIHFJDMJJ-RQZCQDPDSA-N 449.301 4.274 10 40 IICB CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NN(c4cccc(Cl)c4)C3=O)o2)cc1 2945609 SJTRQCCBFHHSKL-CPNJWEJPSA-N 436.851 4.238 10 40 IICB Cc1ccc(OCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc1 5098721 HLPJIKFYRCEEFC-AREMUKBSSA-N 429.564 4.360 10 40 IICB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)cc1 18068269 SUZLDVKKXHHIIA-HJOGWXRNSA-N 427.504 4.112 10 40 IICB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCSc1ccc(Cl)cc1 19639539 DSLTWGYRSDURBK-QNGOZBTKSA-N 443.956 4.262 10 40 IICB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc2c(c1)OCO2 33654928 GFASBSQAWQTYHE-UNOMPAQXSA-N 448.862 4.109 10 40 IICB N=C1/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N=C2SC(N3CCCCC3)=NN12 41084706 YZEPOLVZMAUGOD-COGBYSKYSA-N 445.548 4.328 10 40 IICB CN(C)c1ccc([C@@H]2NC[C@H](CSc3nnc(Nc4ccccc4F)s3)O2)cc1 58982949 XQBTUJHSMBRAFY-CRAIPNDOSA-N 431.562 4.266 10 40 IICB COc1ccc(/C=C2/C(=O)N(c3ccc(Br)c(C)c3)C(=O)N=C2O)cc1OC 59860857 JAESJNURPHWXMV-NTEUORMPSA-N 445.269 4.281 10 40 IICB COC(=O)c1c(-n2c(C)cc(/C=C3/SC(=S)NC3=O)c2C)sc2c1CCCC2 408775936 XBOVQKFAJDIKRV-OQLLNIDSSA-N 432.592 4.310 10 40 IICB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)cc(Cl)c1OCc1ccccc1Cl 409044649 HDVRKGCAVCYBBG-UHFFFAOYSA-N 441.723 4.140 10 40 IICB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)N(CC)Cc3ccccc3)C2=O)cc1 8819140 DYIVPKSSPWYTLU-ZHZULCJRSA-N 440.590 4.335 10 40 IICB CCSc1nnc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)s1 9804788 LMTNPTWJXPJFEE-UHFFFAOYSA-N 446.539 4.086 10 40 IICB CC(C)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1 408741163 KKCIPFJELQIDSV-LICLKQGHSA-N 429.339 4.404 10 40 IICB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccc(C)c4)c3C)C2=O)cc1 408760415 YIOGFJYGMYFWHJ-HZHRSRAPSA-N 443.503 4.468 10 40 IICB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cccc(F)c4)cc3)C2=O)cc1 408877438 RONXOGSGOKKMDO-XQNSMLJCSA-N 444.462 4.482 10 40 IICB CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)N2CCCCC2)cc1 2242448 QMTLNFNTCKJVJE-RNXOBYDBSA-N 427.633 4.213 10 40 IICB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccc(Br)cc2)c1 108284643 ZJWYVTOZAMABHI-STZFKDTASA-N 449.304 4.490 10 40 IICB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccc(Cl)c(F)c1 112293722 FRDSOXNSKUYFIK-NDENLUEZSA-N 431.851 4.140 10 40 IICB COc1cc(/C=C2\SC(Nc3cccc(C)c3C)=NC2=O)ccc1O[C@H](C)C(=O)O 210934619 JCOAAAXGCNJHMG-AXLWCPOOSA-N 426.494 4.246 10 40 IICB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC 408803001 KGPPFEPKRWPRSA-MHWRWJLKSA-N 428.872 4.112 10 40 IICB O=C(CNC(=O)OCc1ccccc1)NCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 408998186 ANQBMZAQEUVKAH-ZQHSETAFSA-N 445.479 4.083 10 40 IICB Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)C(=O)NC2=S)c1C 409125002 MAFWJAUDNYSNAS-LDADJPATSA-N 446.484 4.093 10 40 IICB O=C1N=C(O)/C(=C\NN2CCCC[C@H]2c2cccnc2)C(=O)N1c1cccc2ccccc12 9111549 JMHSEWVRMMTIMI-UZLGTAQGSA-N 441.491 4.274 10 40 IICB Cc1cc(C(=O)COC(=O)C[C@@](O)(c2ccco2)C(F)(F)F)c(C)n1-c1ccccc1 12563304 VBZJYNTTXBOARQ-OAQYLSRUSA-N 435.398 4.253 10 40 IICB O=C1NN(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cccn1-c1ccc([N+](=O)[O-])cc1 16429994 FSQPFOVICRATBY-WQRHYEAKSA-N 443.246 4.154 10 40 IICB CC1=NN2C(=N)/C(=C\c3ccc(OCCOc4c(C)cccc4C)cc3)C(=O)N=C2S1 26608383 NJNCHZDYTLXWBG-YCWTWADVSA-N 434.521 4.400 10 40 IICB CCN1C(=O)/C(=C/c2cccc(OC)c2OCC(=O)Nc2ccc(C)cc2)SC1=S 107865240 BUYQQJWFPUEQJB-PDGQHHTCSA-N 442.562 4.242 10 40 IICB COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)cc1 223249087 RZBNZIYFFWCMDY-BJKOFHAPSA-N 449.624 4.114 10 40 IICB CCCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 408813728 YKKOKZFMDNCRSI-RCCKNPSSSA-N 430.460 4.304 10 40 IICB CCN1C(=O)/C(=C\C=C\c2ccc(OC)cc2)C(=O)N(c2ccc(Cl)cc2)C1=S 409012670 LAOFVVPPNIHHSQ-QZRSKMOPSA-N 426.925 4.468 10 40 IICB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O 409017981 GVHSIUPDFUMFRB-UZUMKDMXSA-N 428.510 4.091 10 40 IICB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 409391840 JZDHVRVUMQTYJB-GDNBJRDFSA-N 428.231 4.315 10 40 IICB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 409392088 KTUHMNRYRZTROS-XNTDXEJSSA-N 428.231 4.315 10 40 IICB COc1ccc(N2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)c([N+](=O)[O-])c1 33584070 HNNJAHFNVHUUIO-UHFFFAOYSA-N 441.871 4.479 10 40 IICB Cc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1ccccc1F 41076756 NMJWOQXCLFCTRZ-WMEYRTBOSA-N 433.468 4.494 10 40 IICB CCc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3O[C@H](C)CC)C(=O)NC2=S)cc1 107682088 VIMYRBPCBWHJDA-WBFOAEISSA-N 438.549 4.266 10 40 IICB O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1C(=O)c1ccccc1Br 408720090 XKTCJAZGKTZFAD-OVCLIPMQSA-N 448.319 4.219 10 40 IICB Cc1ccc(-n2nc(C)c(/C=C3\C(=O)NC(=O)N(c4ccccc4C)C3=O)c2C)cc1C 408755707 DTDQTXOUXANZAO-FYJGNVAPSA-N 428.492 4.081 10 40 IICB Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(N(C)C)c(Br)c2)SC1=S 409345272 KWYODXMAFFDNLI-YBEGLDIGSA-N 436.400 4.471 10 40 IICB CN1C(=O)/C(=C\c2ccc(OC(=O)c3cccc(Br)c3)cc2)SC1=S 6578251 DFQQVJWJBLPDNG-OQLLNIDSSA-N 434.336 4.499 10 40 IICB O=C(/C=C/c1ccc(F)cc1)NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 8743614 DARHCYSVIVSTDH-KPKJPENVSA-N 430.460 4.128 10 40 IICB Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)O)c3C)o2)C(=O)NC1=S 9323244 ZGPMVNXNXXNCRQ-LDADJPATSA-N 446.484 4.093 10 40 IICB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)cc21 208451035 IHXGHVYBCMMQTD-DEDYPNTBSA-N 431.561 4.458 10 40 IICB COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 409023081 CTCVPRPXCPDNFE-YVLHZVERSA-N 432.354 4.491 10 40 IICB CN1CCc2cc([C@@H](CNC(=O)c3cccc(Br)c3)N3CCCC3)ccc21 8963325 GBTOURMXOCOPRY-OAQYLSRUSA-N 428.374 4.008 10 40 IICB C=CCOc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1I 33387165 PDINWLLBENXJPC-LCYFTJDESA-N 431.320 4.077 10 40 IICB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccccc4F)C3=O)cc21 208454441 IXRPSPSMPDDOJJ-LDADJPATSA-N 433.483 4.432 10 40 IICB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 408815897 VUIAFHHAWDTUJY-HYARGMPZSA-N 439.446 4.495 10 40 IICB COC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)c2C)c1 409070844 HARRLXZZOFCHSR-LPYMAVHISA-N 447.466 4.113 10 40 IICB CC(C)N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)SC1=S 2648315 RTJGAAKITVPVHN-WQRHYEAKSA-N 430.526 4.453 10 40 IICB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c1C 4087030 VTXCABQQTASRJY-WOJGMQOQSA-N 437.883 4.311 10 40 IICB CCCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S 8820122 IPKHCFVVEYTPHB-VKAVYKQESA-N 435.567 4.188 10 40 IICB COCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccncc2)SC1=S 9223185 AGCZUNRYHIIYNM-RGEXLXHISA-N 436.562 4.172 10 40 IICB CCCCCCN1C(=O)/C(=C/c2c(N3CCCC3)nc3ccccn3c2=O)SC1=S 16741304 QHKGVZPVRGUVQZ-ICFOKQHNSA-N 442.610 4.076 10 40 IICB CCN1C(=O)/C(=C\c2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)SC1=S 20619856 VPXDPNBCNLRHQA-WOJGMQOQSA-N 430.507 4.404 10 40 IICB COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 59959330 PLWDHEIWVSDNAP-YVLHZVERSA-N 443.253 4.235 10 40 IICB CCc1ccc(S(=O)(=O)Nc2cc(S[C@@H](C)C(=O)O)c(O)c3ccccc23)cc1 8834635 SSNVKVNCGLUBFR-ZDUSSCGKSA-N 431.535 4.474 10 40 IICB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)c2C)c1 15013539 CRTKHXFLKOTAHQ-HZHRSRAPSA-N 443.503 4.364 10 40 IICB CCOC(=O)c1ccc(N2N=C(C)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C2=O)cc1 32099594 YKAKKMJHCJQYME-JCMHNJIXSA-N 444.447 4.368 10 40 IICB COc1ccc(CCN2C(=O)/C(=C/c3ccc4nccnc4c3)SC2=S)cc1OC 54361151 WBNALYWBZQAZMO-MOSHPQCFSA-N 437.546 4.091 10 40 IICB COc1cc([C@@H]2CC3=Nc4ncnn4[C@H](c4ccccc4O)C3=C(O)C2)cc(OC)c1OC 102592029 AHXVPDQBQNHWMS-MCMMXHMISA-N 448.479 4.075 10 40 IICB CCOC(=O)c1cc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1Cl 225839233 OHENWKHDTRRWNC-OAHLLOKOSA-N 447.988 4.401 10 40 IICB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1OC 408816117 SNYANDSJCKBSHO-OQLLNIDSSA-N 428.872 4.031 10 40 IICB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1Cc1ccccc1F 408873057 RDEIHUYHTMXDID-FYJGNVAPSA-N 444.462 4.400 10 40 IICB COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc(OC)cc1OC 409022261 LKHLLIJQOKEYHG-YVLHZVERSA-N 443.883 4.243 10 40 IICB CC(/C=C1\SC(=S)N(CC(=O)Nc2cccc(C(=O)O)c2)C1=O)=C\c1ccccc1 8820630 CIWKBWAUTUPIGB-RZTVDGLLSA-N 438.530 4.171 10 40 IICB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1 18117515 SUZLDVKKXHHIIA-SMIHKQSGSA-N 427.504 4.112 10 40 IICB N=C1/C(=C/c2ccc(OCc3ccc4c(c3)OCO4)c(Cl)c2)C(=O)N=C2SC=CN12 20037454 KXFULBKXNWDZCG-PASMBLJUSA-N 439.880 4.425 10 40 IICB CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OCC 408984028 PJKZUEPBWYEPAN-YBEGLDIGSA-N 428.872 4.112 10 40 IICB COCCCN1C(=O)/C(=C\c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C(C(=O)OC)=C1C 409061807 ILDSFJQPXOYXPJ-HAHDFKILSA-N 436.552 4.420 10 40 IICB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4ccccc4F)c3C)C2=O)c1 409093709 APSFJASUNUONOR-FYJGNVAPSA-N 446.482 4.073 10 40 IICB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1OC 409122591 ABIMAXRDEHJXHA-GYZOOYGHSA-N 438.549 4.321 10 40 IICB Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@]4(CCCc5ccccc54)C3=O)c2C)cc1 8624022 ALQIPXPTAVNCNG-MHZLTWQESA-N 441.531 4.369 10 40 IICB Cc1nnc(NS(=O)(=O)c2ccc(/N=N/c3ccc(O)c4ncccc34)cc2)s1 17824707 SFILKVPTXQDZEH-QURGRASLSA-N 426.483 4.317 10 40 IICB COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1C 224601689 RTCRSNFIYPNGFN-AEFFLSMTSA-N 430.570 4.057 10 40 IICB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1cccc(OCc2cccc(Cl)c2)c1 408939369 RXRPLKOVHZXKAL-BKUYFWCQSA-N 448.862 4.291 10 40 IICB O=C1/C(=C/c2cccc(F)c2)SC(=S)N1CC(=O)N1CCCC[C@@H]1c1cccnc1 9348713 WNZTTXMNTGEIAJ-GEBKJHSDSA-N 441.553 4.176 10 40 IICB COc1cc(/C=C2/SC(Nc3cc(C)ccc3C)=NC2=O)cc(OC)c1OC(C)=O 96663404 PYYHRYAURMHVKT-YBFXNURJSA-N 426.494 4.328 10 40 IICB Cn1c(=O)n(C)c2cc(/C=C3/SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)ccc21 9310614 XAIOGHCUMSOWMB-CXUHLZMHSA-N 449.479 4.302 10 40 IICB COc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)c(Cl)c1Cl 13648798 BBEUDMHAJHMDEK-UHFFFAOYSA-N 429.369 4.471 10 40 IICB CCN(CC)S(=O)(=O)c1ccc(N/C=C2\C(=O)N(c3cccc(C)c3)N=C2C)c(C)c1 408529290 HJXFNUDPVYRMOA-QNGOZBTKSA-N 440.569 4.052 10 40 IICB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCCC3)c(F)c2)C1=O 409247420 HEJRXPZVQYDXKD-RVDMUPIBSA-N 427.863 4.054 10 40 IICB O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc2nccnc2c1 8992231 CTZQKGNOLMNIES-UYRXBGFRSA-N 434.546 4.250 10 40 IICB COc1ccc(-c2c(C(F)(F)F)oc3c(CN4CCCOC4)c(O)ccc3c2=O)cc1 95092841 CYJZKSOZQWTLBD-UHFFFAOYSA-N 435.398 4.373 10 40 IICB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2)c1C 223720765 JPTAZNQOGQBOSS-ZEQRLZLVSA-N 448.592 4.415 10 40 IICB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(OC(C)C)c1 408810813 UWNCUPMZAPENQQ-RQZCQDPDSA-N 428.872 4.111 10 40 IICB COc1ccc(N2CCN(c3nc(C)c4c(n3)C[C@@H](c3ccc(F)cc3)CC4=O)CC2)cc1 9129514 ZJMYLMLWZOXKKY-LJQANCHMSA-N 446.526 4.172 10 40 IICB COc1ccc(OCCOC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)cc1 9631266 OSKOUOKDEHXMHQ-UHFFFAOYSA-N 436.847 4.360 10 40 IICB O=C(CCCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1cccnc1 12524508 SIDJXJGZXANCIW-WJDWOHSUSA-N 449.504 4.303 10 40 IICB CCC1=NN2C(=N)/C(=C/c3cccn3-c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)N=C2S1 41108325 VQNQQJJJGYENLI-JLZHIMPBSA-N 428.861 4.068 10 40 IICB COC(=O)COc1c(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cccc1OC 408530352 KMGJRXJMKMKCBF-WQRHYEAKSA-N 443.546 4.270 10 40 IICB CN(C)c1ccc(C(C[N+](=O)[O-])(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1 5124963 IUIZFGPUKTUHRE-UHFFFAOYSA-N 432.568 4.496 10 40 IICB CC(=O)NC1=NC(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(C)cc2)S1 13940812 SSHYLKKCVYEJFF-ZDLGFXPLSA-N 445.338 4.443 10 40 IICB COc1ccc(CCN2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])SC2=S)cc1OC 35040907 OGQSHYHMCBWASX-LDADJPATSA-N 430.507 4.056 10 40 IICB COc1cc([N+](=O)[O-])ccc1N/C=C1\C(=O)N(c2ccc(Br)cc2C)N=C1C 408535572 TYHSEXMFTBJLAG-GDNBJRDFSA-N 445.273 4.393 10 40 IICB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C2=O)c1 408743234 ZREQUEFXFQXHHH-HZHRSRAPSA-N 442.519 4.135 10 40 IICB CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c1C 409394047 UWCBZPWKYBIIJO-KGENOOAVSA-N 428.492 4.026 10 40 IICB CC(=C/c1ccccc1)/C=C1\SC(=S)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 1452153 IHPZFENKKAZOAP-RQGFIEOQSA-N 425.491 4.087 10 40 IICB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1Cl 9259395 JPEMFESXJMJHJY-SEJMYLSOSA-N 432.904 4.488 10 40 IICB COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c1OC(C)C 409107417 RTFDBBHMMGDHKG-JLHYYAGUSA-N 449.290 4.456 10 40 IICB Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1 1183192 LKTJNBQCLIXHPG-QGOAFFKASA-N 440.546 4.313 10 40 IICB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccn3)C2=O)cc1 8819876 UUWZFGUIJLASBI-SDXDJHTJSA-N 441.578 4.491 10 40 IICB O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 58246129 YJLKMHQXGMSVDY-VXKWHMMOSA-N 426.513 4.163 10 40 IICB COc1ccc(CN/C=C2/C(=O)N(c3nc4ccccc4s3)N=C2C(F)(F)F)cc1 100572525 DYJLTQMRBJTWEH-SDNWHVSQSA-N 432.427 4.244 10 40 IICB CC(=O)Nc1ccc(/N=N\c2c(S(=O)(=O)O)cc3cc(NC(C)=O)ccc3c2O)cc1 104045298 CECGUGFIJCQUOO-VHXPQNKSSA-N 442.453 4.124 10 40 IICB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/c2ccc(OC(C)C)cc2)C1=O 408901384 XPUSTFCEAOXEGL-BOPFTXTBSA-N 443.297 4.211 10 40 IICB O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(N2CCCC2)cc1 408960278 KPHUUDDNHVYPDA-NTCAYCPXSA-N 446.359 4.425 10 40 IICB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1cccn1-c1ccc2ccccc2c1 9265352 URHDKPPYRZYNIG-HKWRFOASSA-N 425.419 4.436 10 40 IICB Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4C(=O)O)o3)C(=O)NC2=S)c1C 9323237 XETJVQMWQQRQOI-LDADJPATSA-N 446.484 4.093 10 40 IICB O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1CNc1ccccc1Br 13550606 SFIIMFQJSRSGGI-LZYBPNLTSA-N 449.351 4.449 10 40 IICB N=C1/C(=C\c2cc(Br)ccc2O)C(=O)N=C2SC(C3CCCCC3)=NN12 27842470 KEHVWXYTNWVLLX-FZKGXIISSA-N 433.331 4.354 10 40 IICB CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc21 208444716 WZZGYDZTMYNGEF-SFQUDFHCSA-N 435.524 4.289 10 40 IICB Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)c(Cl)c1 409147456 XXSWNAJQTMAKRE-GZTJUZNOSA-N 431.970 4.261 10 40 IICB COc1ccc(CN2C(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)N=C2O)cc1 2396574 HFIQDXJJSSSJSU-UCQKPKSFSA-N 443.503 4.278 10 40 IICB O=Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)cc1 8870221 ZWCQUQPGKNBYNP-CHHVJCJISA-N 437.329 4.352 10 40 IICB CCc1ccccc1NC(=O)CCN1C(=O)/C(=C/c2ccccc2OC)SC1=S 12274871 RVWFIRGJXFQHME-RGEXLXHISA-N 426.563 4.488 10 40 IICB Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1[N+](=O)[O-] 12642980 LIYNSJXJBDIYOE-UHFFFAOYSA-N 437.437 4.339 10 40 IICB COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CSc3ccccn3)c2C)c1 22703727 QIKPTQLRFTXLGU-UHFFFAOYSA-N 438.505 4.037 10 40 IICB CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C(=O)OC(C)C)C1 225774730 OUQDCSTZHCGKIT-KAISUZLGSA-N 431.554 4.290 10 40 IICB COc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cccc(O)c3)C2=O)cc1 975287 QLUVZAPLFQGAJY-LDADJPATSA-N 428.535 4.021 10 40 IICB CC(/C=C1\SC(=S)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O)=C\c1ccccc1 8820636 LVAKOCPTIMUHKE-PALGHMFPSA-N 438.530 4.202 10 40 IICB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)c(C)c1 18046105 OXOJCPIGDKKQKH-GVAUOCQISA-N 441.531 4.421 10 40 IICB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1ccc(C)cc1 34718828 KXUQTJMVKAZWTH-BKUYFWCQSA-N 444.487 4.053 10 40 IICB Cc1c(Cc2ccccc2)c(=O)oc2c(CN[C@H](Cc3ccccc3)C(=O)O)c(O)ccc12 35686308 MSSBDBFFFOEGKG-HSZRJFAPSA-N 443.499 4.183 10 40 IICB CCN(CC)S(=O)(=O)c1ccc(N/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C)cc1 102773532 VYYKNQNHPUJGEN-ZHZULCJRSA-N 446.960 4.089 10 40 IICB Cc1ccc(N2C(=O)C[C@H](N3C(=O)/C(=C\C=C\c4ccccc4)SC3=S)C2=O)cc1 102882761 DNRROVRYDPUHRR-REVFECOKSA-N 434.542 4.085 10 40 IICB Cc1ccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 408534367 LQSGYYBJIVWLMP-HKWRFOASSA-N 440.455 4.189 10 40 IICB CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3[N+](=O)[O-])c(OC)c2)SC1=S 6178496 LJPBBXAGNVZHJQ-WOJGMQOQSA-N 430.507 4.404 10 40 IICB COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 9851147 AKMNOLURYMQWPH-ATPAHOSSSA-N 437.492 4.146 10 40 IICB CCOc1cccc([C@@H]2CC(c3ccc(C)c(C)c3)=NC3(CCN(C(C)=O)CC3)N2)c1O 65298465 ZTFVTAOMBMBSTL-QHCPKHFHSA-N 435.568 4.270 10 40 IICB biogenic COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2)c1C 223687093 OCINIGGKFGVGMO-RPWUZVMVSA-N 448.592 4.333 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(Cl)cc1OC 409134453 SVXBZRDLRUJIJD-OQLLNIDSSA-N 444.940 4.195 10 40 IICB COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OC(C)=O 409329914 ISZVDVCFNBOTRB-UNOMPAQXSA-N 428.535 4.092 10 40 IICB CCCCN1C(=O)/C(=C/C=C2\N(C)c3ccc(C(=O)OC)cc3N2CC)SC1=S 4045340 HPEBQTMWBXBRDE-ICFDZUSXSA-N 431.583 4.135 10 40 IICB COCCn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1ccc(N(C)C)cc1 6135824 QURWEWNBAONCQL-UHFFFAOYSA-N 428.533 4.132 10 40 IICB CCc1cccc2c(/C=C3\SC(=S)N(NC(=O)c4ccc(OC)cc4)C3=O)c[nH]c12 38160951 KWPAUAPAAOAXMG-WQRHYEAKSA-N 437.546 4.285 10 40 IICB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C)c1C 223650128 VQEFGDIMXJTOEU-BJKOFHAPSA-N 448.592 4.333 10 40 IICB CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\Nc2cc(C)ccc2C)C1=O 408526157 AALJCJWOJOYRNJ-LFIBNONCSA-N 442.313 4.207 10 40 IICB COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 408998805 SGFKMJYEHBCPRP-CCRNYGKSSA-N 437.492 4.146 10 40 IICB Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)c2C)c1C 409142757 DCUJOEYWHVZZRG-HYARGMPZSA-N 427.504 4.373 10 40 IICB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 409373792 VYSXVJPRQIMKND-UDWIEESQSA-N 436.851 4.174 10 40 IICB COC(=O)C[C@H](c1ccc(C)o1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96222740 YDODPLRRKQIYJX-CQSZACIVSA-N 436.416 4.173 10 40 IICB biogenic COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)o2)c1C 408780124 STDOFANXBWVELO-DEDYPNTBSA-N 444.443 4.016 10 40 IICB CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 408809355 GZCYPQSXNTYYCC-XNTDXEJSSA-N 449.688 4.168 10 40 IICB Cc1cc(-c2ccc(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)o2)ccc1Br 409195857 RGDDNBRWPSKYKP-WJDWOHSUSA-N 443.297 4.422 10 40 IICB O=C(O)CN1C(=O)/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)SC1=S 9234469 AEAWPFYURWZWJT-GIJQJNRQSA-N 426.494 4.115 10 40 IICB COc1ccc(C)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(SC)SC3=NC2=O)c1C 9308263 NTFYWOZXVFZYAR-BXODQFHZSA-N 439.566 4.351 10 40 IICB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCCCCC3)o2)C1=O 9845925 KXAUIEKYLFYWTE-DTQAZKPQSA-N 427.888 4.288 10 40 IICB CC[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C(=O)OC(C)C)C1 102345567 OUQDCSTZHCGKIT-PUMWCKSCSA-N 431.554 4.290 10 40 IICB CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c1O 409052068 GFTLQUFMCZLSRP-MFOYZWKCSA-N 430.507 4.409 10 40 IICB COc1ccc(N2C(=O)/C(=C\c3cc(C)n(C4CCCCC4)c3C)C(=O)NC2=S)cc1 981014 HINZGEOOKYVPGI-STZFKDTASA-N 437.565 4.450 10 40 IICB COc1ccc(N2C(=O)/C(=C\c3ccc(Br)o3)SC2=S)c(OC)c1 8821556 PZGICCLVMNSYNK-MDWZMJQESA-N 426.313 4.465 10 40 IICB CC(=O)NC1=NC(=O)/C(=C/c2ccccc2OCc2ccc(Br)cc2)S1 9057222 VGIKCDFOOPOLOR-YVLHZVERSA-N 431.311 4.135 10 40 IICB Cc1nc(S[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)nc(C)c1C 9544293 MYOXCNCRBGVGKE-OAHLLOKOSA-N 431.517 4.297 10 40 IICB COc1ccc(N2CCN(c3nc(C)c4c(n3)C[C@@H](c3ccccc3)CC4=O)CC2)cc1 10156603 INDHRZZGOXOPLN-HXUWFJFHSA-N 428.536 4.033 10 40 IICB COc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)ccc1OC(C)=O 13914098 BOPQBWJSVXFBIT-LICLKQGHSA-N 429.270 4.189 10 40 IICB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C 14009585 INQNZARQXDIEEM-ODLJZMMESA-N 434.536 4.254 10 40 IICB C[C@@H](C(=O)N1CCCC[C@H]1c1cccnc1)N1C(=O)/C(=C\c2ccco2)SC1=S 62825000 JOYYRXNCKHUNDT-ZYFLZRNESA-N 427.551 4.018 10 40 IICB COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1ccccc1C(F)(F)F 408532305 UAWQCZLBUHDLTA-ATVHPVEESA-N 445.393 4.369 10 40 IICB CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409200582 IJRIWKVTHASGMG-MHWRWJLKSA-N 431.495 4.402 10 40 IICB Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(I)cc2)SC1=S 409207255 UVNMNOJVCMPVBT-ZROIWOOFSA-N 440.331 4.247 10 40 IICB Cc1cc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccc1-c1ccncc1 1625286881 APWVNSBXPAJZBL-OAQYLSRUSA-N 443.551 4.080 10 40 IICB COc1cc(N2CCCCC2)ccc1/C=C1\NC(=O)N(Cc2ccc(Cl)cc2)C1=O 9934789 DSSBEXURSSQUNY-MOSHPQCFSA-N 425.916 4.432 10 40 IICB O=C1/C(=C/c2cc3ccccc3nc2N2CCOCC2)SC(=S)N1C1CCCC1 10233261 REQYYYMLFQTBLZ-RGEXLXHISA-N 425.579 4.215 10 40 IICB CCOc1cccc(/C=C2\C(=O)N(c3ccc(F)c(Cl)c3)C(C)=C2C(=O)OC)c1O 14413836 PMFMGKMCRORUKY-GDNBJRDFSA-N 431.847 4.461 10 40 IICB COc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1 35349242 HDKLEJAJJFLNGJ-SANMLTNESA-N 429.564 4.291 10 40 IICB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccc(F)c1 223267137 CZFPLGOBVOGGPS-DHIUTWEWSA-N 437.588 4.162 10 40 IICB Cc1cc(N2Cc3ccccc3C2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 225956198 UOTORZYOKKSMTB-UHFFFAOYSA-N 444.608 4.392 10 40 IICB COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C(C)C)C3=O)cc2)cc1 408572398 GSDJYIRODABNGE-UNOMPAQXSA-N 442.562 4.322 10 40 IICB CCn1cc([N+](=O)[O-])c(C(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccccc2O)n1 653976 JXQSFMVBCMBABC-KRWDZBQOSA-N 439.859 4.162 10 40 IICB Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)c2C)c1 1150963 FZLMITFLSNQAJW-FYJGNVAPSA-N 433.508 4.373 10 40 IICB O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc2c(c1)OCO2 1183484 ROIUGNWIQOEQIA-RQZCQDPDSA-N 446.937 4.299 10 40 IICB COc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](CCSC)C(=O)O)C3=O)o2)cc1 16694905 FYNGJVBBJCJCFI-VUVCFOEZSA-N 449.575 4.363 10 40 IICB COc1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)cc1Cl 48988515 AEABFLGAIPPBFM-UHFFFAOYSA-N 432.929 4.128 10 40 IICB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)C2=O)cc1 208198051 ILTWAXCSAXVDPP-YIRPMMGJSA-N 447.535 4.474 10 40 IICB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(N3CCCC3)cc2)c1 224595738 CXVYDSVXTXPYSK-ULJHMMPZSA-N 429.520 4.276 10 40 IICB Cc1cccc(C)c1N/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O 408535540 TWWLNKNYXUCXLF-XNTDXEJSSA-N 442.313 4.262 10 40 IICB CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc1 1417316 QODOHLZCALGJDV-ITRAFESCSA-N 442.562 4.419 10 40 IICB CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(C4CCCCC4)C3=O)c2C)cc1 2065553 OUZRCHDDDLSHHV-PXLXIMEGSA-N 435.524 4.287 10 40 IICB Cn1c(=O)c(C2=NNC(=O)/C2=C\c2c3ccccc3cc3ccccc23)c(O)c2ccccc21 104854608 OVYGFXBMPFWOHL-JCMHNJIXSA-N 445.478 4.468 10 40 IICB CCCN1CCN(Cc2ccccc2O)C[C@H](Cc2ccccc2-c2ccncc2)C1=O 257275893 NRKMUNHGWBMWAL-DEOSSOPVSA-N 429.564 4.367 10 40 IICB Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(Br)cc3Cl)C2=O)c1C 408532328 MIWQODRPWJWWEW-LCYFTJDESA-N 448.704 4.298 10 40 IICB CCOc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c1 408878764 AVICYWIGARYCNG-LICLKQGHSA-N 443.297 4.131 10 40 IICB CCOc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC 409228516 BBJGCBXMPWCGHF-MDWZMJQESA-N 449.290 4.376 10 40 IICB COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1O 3139379 VAMYVGKKQNMUQN-UHFFFAOYSA-N 430.485 4.149 10 40 IICB CCOc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(SC)SC4=NC3=O)c2C)cc1 9209782 NBQNJUKYYYQTGI-WBIXSPHCSA-N 439.566 4.433 10 40 IICB Cc1cccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2/SC(=S)N(C)C2=O)c1 13896291 NHLAUUSKXKFTNB-LDADJPATSA-N 430.507 4.192 10 40 IICB Cc1cccc(N2C(=O)C[C@H](N3C(=O)/C(=C/C=C/c4ccccc4)SC3=S)C2=O)c1 16713037 QKENTNWPHIRJDI-LRCBOZDGSA-N 434.542 4.085 10 40 IICB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc2c3c(cccc13)C(=O)N(C)C2=O 101141152 WTJJOQPQXRAHOO-XDHOZWIPSA-N 444.878 4.438 10 40 IICB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1ccccc1O 223227368 BICDWLQZZDIIIV-RPWUZVMVSA-N 449.624 4.119 10 40 IICB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccc(Cl)c1 223617004 PVCFKFHMSQZVGH-VXKWHMMOSA-N 441.000 4.497 10 40 IICB COc1cc(-c2nc(C)c(C(=O)OCCc3ccc(N)cc3)s2)cc(OC)c1OC 12324416 IUTURYSORGUPPF-UHFFFAOYSA-N 428.510 4.126 10 40 IICB COc1ccc(N2CCN(C(=O)CNc3ccccc3SCC(F)(F)F)CC2)cc1 36702483 OJTOWWKEYGROFK-UHFFFAOYSA-N 439.503 4.110 10 40 IICB CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102707930 XNHDMZWCNVWVKI-DNVJHFABSA-N 447.922 4.457 10 40 IICB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc(I)c1O 408961571 NJQLFEHFTJMROX-ZSOIEALJSA-N 438.652 4.456 10 40 IICB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 409394454 AQKZZNZPHUGAJL-LFIBNONCSA-N 427.338 4.027 10 40 IICB CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OCC 1416572 FTGHVTVMQUERGB-QGOAFFKASA-N 428.535 4.030 10 40 IICB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C1=O 8396015 LCFYVNGMIUSPIA-RBYWHNRPSA-N 441.553 4.148 10 40 IICB C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S 10232793 OZHAEYSYUMWGOQ-BNUBCSQOSA-N 438.870 4.183 10 40 IICB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 69435936 CMMXOCOVGNSAKH-LOSJGSFVSA-N 438.568 4.132 10 40 IICB Cc1cc2oc(=O)cc(-c3ccccc3)c2c(O)c1CN[C@@H](Cc1ccccc1)C(=O)O 98031770 LYUMDHXUSNYPJK-NRFANRHFSA-N 429.472 4.260 10 40 IICB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC 408804631 ZBELWKXNABZCPJ-NTEUORMPSA-N 449.290 4.457 10 40 IICB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OC(C)C)C2=O)c1 408806085 AEMDFNCSBOZCNP-GZTJUZNOSA-N 443.297 4.211 10 40 IICB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(OCc2ccc(F)cc2)c1 408808906 GVAFVNWZRIKBTG-FYJGNVAPSA-N 446.434 4.080 10 40 IICB CN(C)c1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2csnn2)c2ccccc2)cc1 6287568 RAQDYFLKIANYMW-JOCHJYFZSA-N 449.580 4.051 10 40 IICB CC(/C=C1\SC(=S)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1=O)=C\c1ccccc1 9075882 IHPZFENKKAZOAP-YMGXUNRSSA-N 425.491 4.087 10 40 IICB C[C@H](C(=O)N1CCCC[C@@H]1c1cccnc1)N1C(=O)/C(=C/c2ccco2)SC1=S 9348331 JOYYRXNCKHUNDT-SSPMVUGISA-N 427.551 4.018 10 40 IICB COC(=O)c1[nH]c2ccccc2c1/C=C1/SC(=S)N(c2cccc(C(=O)O)c2)C1=O 13692070 SSMBVHOTILMQPB-MHWRWJLKSA-N 438.486 4.059 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCCOc4ccccc4)cc3)C2=O)cc1 13940441 CUSWPAPVSOHGOS-QJOMJCCJSA-N 442.471 4.119 10 40 IICB COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cc(Br)ccc1O 14406755 HEKDLDOUTUHFPK-YVLHZVERSA-N 444.281 4.041 10 40 IICB CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2)o1 16160956 IVMBWAIEMYEVTA-UNOMPAQXSA-N 441.896 4.054 10 40 IICB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCSc1ccccc1 41078509 YMBOVJKRXBNNNJ-NGTDACBUSA-N 435.505 4.317 10 40 IICB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C2=O)cc1 208230979 GXJSJJIBHNARGA-REIAIGDLSA-N 447.535 4.392 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(O)c(Br)c3)C2=O)cc1C 408855635 FHPDMNFNGKVRAX-AWNIVKPZSA-N 449.688 4.091 10 40 IICB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccccn4)c3C)C2=O)c1 409221485 QXXIGHIUYWQUNF-MOSHPQCFSA-N 446.532 4.473 10 40 IICB CC1(C)OC(=O)C(=Cc2c(-c3ccc(Br)cc3)nc3sccn23)C(=O)O1 8782222 DMDDAGKVRSHDSD-UHFFFAOYSA-N 433.283 4.045 10 40 IICB CC[C@@H](C)Oc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Cl 15013142 YQCSSUPYTOHHFL-XTCQQWIJSA-N 432.904 4.488 10 40 IICB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1 34705777 ITUXTAMVKZXNDD-MOSHPQCFSA-N 448.862 4.079 10 40 IICB COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Br 408772516 MJKAFPYZYCMZSV-NTUHNPAUSA-N 449.688 4.086 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OC 408807122 OGAXCHCRYMWHGX-VGOFMYFVSA-N 435.263 4.067 10 40 IICB CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)c(Br)c2)NC1=S 409008377 XPKNHOYMJORAGY-BOPFTXTBSA-N 431.355 4.414 10 40 IICB O=C1N=C(O)/C(=C\c2cccn2CCOc2ccc(Cl)cc2)C(=O)N1Cc1ccco1 2210290 DFFQMJNCLRAKKZ-CPNJWEJPSA-N 439.855 4.316 10 40 IICB CN(C)c1ccc(CN(C[C@H]2CCCO2)S(=O)(=O)C2=Cc3ccccc3CC2)cc1 8026672 CFORLPRMCZHYCA-HSZRJFAPSA-N 426.582 4.051 10 40 IICB CCN(CC)S(=O)(=O)c1ccc(N/C=C2/C(=O)N(c3cccc(Cl)c3)N=C2C)cc1 8659842 VYYKNQNHPUJGEN-XSFVSMFZSA-N 446.960 4.089 10 40 IICB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(N4CCCCC4)cc3)C2=O)o1 34848966 UIFNUHLWNYSISP-CPNJWEJPSA-N 426.494 4.293 10 40 IICB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1ccccc1O 223227314 BICDWLQZZDIIIV-DNQXCXABSA-N 449.624 4.119 10 40 IICB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OC(C)C)c(OC)c3)C2=O)cc1 408819588 XWWUXJDNWVEXNU-LICLKQGHSA-N 442.899 4.365 10 40 IICB Cc1ccc(OCCCn2cccc2/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 2261459 GSMJWMUUFJFJTE-JWGURIENSA-N 447.466 4.071 10 40 IICB COc1ccc(NC(=O)c2nnc(CSc3ncc(-c4ccccc4)n3C)s2)cc1 12520530 VVYCUGBFZBKGKY-UHFFFAOYSA-N 437.550 4.492 10 40 IICB COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccccc1Br 14406746 AHEYUKNYNDWYNS-BOPFTXTBSA-N 428.282 4.335 10 40 IICB Nc1c(C(=O)OC2CCN(C(=O)Nc3ccccc3)CC2)sc2nc3c(cc12)CCC3 215745494 CKYNXDNZLPSLSM-UHFFFAOYSA-N 436.537 4.221 10 40 IICB CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)o1 408815311 JBEVEGKPZMMYLS-JLHYYAGUSA-N 438.336 4.264 10 40 IICB Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)c(Cl)c1 409146042 PZBRPMFNEDGNIT-OQLLNIDSSA-N 433.898 4.103 10 40 IICB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(CCOc2ccccc2)c2ccccc12 409207067 ZZWQDZQMWAURQB-JWGURIENSA-N 443.503 4.125 10 40 IICB COc1ccc(/C=C2\N=C(c3ccccc3)N(c3ccc(C(=O)O)cc3)C2=O)cc1OC 2430140 YHJSSUBDBNNLKW-ZHZULCJRSA-N 428.444 4.237 10 40 IICB COC(=O)c1cccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(C)c(Cl)c4)C3=O)o2)c1 8496291 JQBXCDKXOMOIJS-PDGQHHTCSA-N 436.851 4.156 10 40 IICB O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCc1c[nH]c2ccccc12 33584834 RNNQBAXOQQOVNT-LDADJPATSA-N 441.603 4.180 10 40 IICB COc1cc(/C=C2\SC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 408527643 BCKJXYCHHVJMNI-IUXPMGMMSA-N 448.953 4.163 10 40 IICB O=C(Cn1cc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c2ccccc21)NC[C@H]1CCCO1 3648604 PYGUOUXPSNUWBQ-YEWRBRKMSA-N 435.911 4.083 10 40 IICB COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(OC(F)(F)F)cc1)CO3 9061094 PBDNVSXGEAVGFS-UHFFFAOYSA-N 449.381 4.072 10 40 IICB COc1ccc(N2CCN(C(=O)NC[C@@H](C)c3nc4ccccc4n3C(F)F)CC2)cc1 32863355 WSNQOYBTXVGBHF-MRXNPFEDSA-N 443.498 4.075 10 40 IICB COc1ccc(NC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1OC 35597178 PAXITMLQLJPTLR-QFIPXVFZSA-N 438.572 4.045 10 40 IICB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1c(O)ccc2ccccc12 38186113 KMYCFWMANNNZFQ-MOSHPQCFSA-N 430.416 4.331 10 40 IICB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 58865879 CNOQKEKHANMYIS-UHFFFAOYSA-N 448.225 4.371 10 40 IICB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(OC)c3)C2=O)c1 8819151 IUYKFUNWDQZTDU-UYRXBGFRSA-N 442.562 4.324 10 40 IICB O=C1/C(=C\c2cc3cc4c(cc3[nH]c2=O)OCO4)SC(=S)N1c1cccc(Cl)c1 9420161 PETRUQNORLCMFK-UBKPWBPPSA-N 442.905 4.316 10 40 IICB O=c1[nH]c(/C=C/c2cc(/N=N\c3cccc4ccccc34)ccc2O)c([N+](=O)[O-])c(=O)[nH]1 105510001 XIRGGSTWFUQYCM-GLGGBJCQSA-N 429.392 4.416 10 40 IICB CCc1cccc(CC)c1NC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 12563355 AIBMHILFKTVQSF-UHFFFAOYSA-N 441.483 4.382 10 40 IICB CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)c2c1 12630426 QMOFTHDMORHREI-PXLXIMEGSA-N 444.487 4.299 10 40 IICB COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 14406754 VAGWWHTYUGIKMU-YVLHZVERSA-N 428.828 4.134 10 40 IICB CCN(CC)c1ccc([C@H]2C(C(=O)OCCOC)=C(C)Nc3nc4ccccc4n32)cc1 17098979 MLWYDMDVJRQBOQ-QHCPKHFHSA-N 434.540 4.361 10 40 IICB Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\c3ccc(I)cc3)C2=O)c1 27520663 ZIJQFXRELLBBJY-MHWRWJLKSA-N 446.244 4.415 10 40 IICB COc1ccc(N2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)SC2=S)c(OC)c1 28296832 QTZHZBMDGHMJLB-VCHYOVAHSA-N 447.534 4.135 10 40 IICB CCOc1cc([C@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)ccc1N1CCOCC1 222691995 BVMRVIINSYDKQB-LEOXJPRUSA-N 438.597 4.296 10 40 IICB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C)c1C 223650017 VQEFGDIMXJTOEU-ZEQRLZLVSA-N 448.592 4.333 10 40 IICB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)cc3)C2=O)c1 408878442 BGLXSQOQRYQYOF-KGENOOAVSA-N 430.435 4.380 10 40 IICB CC1=NN(c2ccccc2)C(=O)/C1=C\c1c(C)nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 409002365 UCNKQGHJBIVBPL-UNOMPAQXSA-N 446.423 4.112 10 40 IICB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1N(C)C 409040989 ZMFLWJQQEVCQJK-YRNVUSSQSA-N 440.328 4.162 10 40 IICB O=C1N=C(N2CCN(c3ccc(F)cc3)CC2)S/C1=C\c1cccc(Br)c1 9189285 YVJHPLWIMXUCGS-AQTBWJFISA-N 446.345 4.381 10 40 IICB COc1ccc(/C=C(/C(=O)NCc2ccc(N3CCOCC3)cc2)c2ccccc2)cc1 10113300 YJFZXFZTJOLHBV-LGUFXXKBSA-N 428.532 4.389 10 40 IICB COc1ccc(N2CCN([C@@H](c3ccc(C)cc3)c3sc4nc(C)nn4c3O)CC2)cc1 23156904 GSRWXJBSQSCZDM-NRFANRHFSA-N 449.580 4.033 10 40 IICB COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1OC 113830592 OLVQQYVIZDGFGT-MHWRWJLKSA-N 432.479 4.026 10 40 IICB O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1 409103235 VNHBLBRNBOLOJR-NTEUORMPSA-N 448.281 4.399 10 40 IICB Cc1cccc(N2C(=O)/C(=C3/C(=O)Nc4ccc(Br)cc43)SC2=S)c1 2317902 WYXJHSXAGGNPIL-PFONDFGASA-N 431.336 4.486 10 40 IICB CN(C)c1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 15674246 SPEZHHAOXASHMC-MJGOQNOKSA-N 448.445 4.009 10 40 IICB biogenic,in-vitro Cc1cc(Br)ccc1N1C(=O)/C(=C\c2cccn2C(C)(C)C)C(=O)NC1=S 100344913 YKRNUDIGCKTCPT-PTNGSMBKSA-N 446.370 4.145 10 40 IICB CO[C@]12C=C[C@@H](CC1)[C@H]1C(=O)c3c(OC(=O)OCc4ccccc4)ccc(O)c3C(=O)[C@@H]12 103115427 RHXQREPTELGYAS-WXFKEKBASA-N 434.444 4.084 10 40 IICB COCCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3Cl)c2C)C(C(=O)OC)=C1C 409014439 PHJIDHVYHIHSIZ-AQTBWJFISA-N 428.916 4.067 10 40 IICB COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(OC)c1OC 409034827 OHPWLNWCUZYBPE-BJMVGYQFSA-N 442.340 4.214 10 40 IICB Cc1ccnc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c2C)c1 409132250 ZCZUFRNQPFBFHC-DEDYPNTBSA-N 444.560 4.246 10 40 IICB Cc1cc(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccccc1 2649709 CCJIONMLODPHGO-UHFFFAOYSA-N 427.844 4.451 10 40 IICB CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC1=S 10232920 BKNASTUNAFRRDY-DWKHYPNZSA-N 437.539 4.493 10 40 IICB O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NCCc1ccccc1 17373766 CSKMFDRBUYGIMX-NBVRZTHBSA-N 430.982 4.290 10 40 IICB COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4CCN(C)CC4)c23)cc1Cl 19794014 NBCVZKRGGNFLRF-UHFFFAOYSA-N 443.931 4.109 10 40 IICB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccc(F)c1 223267190 CZFPLGOBVOGGPS-PKTZIBPZSA-N 437.588 4.162 10 40 IICB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c(OCc2ccccc2)c1 408810121 OYCLAIZFCATZCY-KGENOOAVSA-N 442.471 4.249 10 40 IICB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccccc1Br 8951597 JREOHDARBSNHKK-MDWZMJQESA-N 439.381 4.351 10 40 IICB Cc1ccc(N2C(=O)C[C@@H](N3C(=O)/C(=C\C=C\c4ccccc4)SC3=S)C2=O)cc1 12649590 DNRROVRYDPUHRR-SONHARSSSA-N 434.542 4.085 10 40 IICB O=C1/C(=C/c2ccc(-c3ccccc3F)o2)SC(=S)N1CCCN1CCOCC1 14680264 MKQRKPVVNYLVOL-RGEXLXHISA-N 432.542 4.009 10 40 IICB CCN1C(=O)C(=Cc2cc3c(cc2C)N(CC)C(C)(C)C=C3C)C(=O)N(CC)C1=S 113820675 RFEGLQAVKYMHNE-UHFFFAOYSA-N 425.598 4.396 10 40 IICB Cc1cccnc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C 223315853 TVTGSJXVLPYDJG-VJBMBRPKSA-N 447.608 4.344 10 40 IICB CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 408769305 MNXXDKDYYKXLRP-UNOMPAQXSA-N 436.464 4.488 10 40 IICB CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCC3)c(C)c2)C1=O 409199398 CUVZCBFKVNDGFB-HKWRFOASSA-N 429.586 4.280 10 40 IICB CC(=O)Nc1cccc(N/C=C2\C(=O)N(c3ccc(Br)c(C)c3)N=C2C)c1 8437851 XDDWWFQKFFMNIR-WQRHYEAKSA-N 427.302 4.434 10 40 IICB O=C(NN1C(=O)/C(=C/c2ccco2)SC1=S)c1ccc(OCc2ccccc2)cc1 8870255 UEOFXMKVHUGJKO-UYRXBGFRSA-N 436.514 4.405 10 40 IICB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(N4CCCCC4)=NC3=O)cc2)cc1 17293665 GFBVRKWGLJRHLO-HKWRFOASSA-N 442.562 4.219 10 40 IICB COc1ccccc1OCCCOc1ccc(/C=C2/C(=N)N3C=CSC3=NC2=O)cc1 27572544 WGGSFCJGPWPFCM-QUTSUCTLSA-N 435.505 4.320 10 40 IICB COC(=O)c1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)cc1 85879428 JLOWQLNHSPPFEE-UHFFFAOYSA-N 433.420 4.070 10 40 IICB biogenic O=C(COc1ccccc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O)N1CCCC1 408578174 WLEBRADNTYETEM-ZHZULCJRSA-N 438.574 4.089 10 40 IICB Cc1ccc(Cl)c2c1N[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)[C@H]1CC=C[C@@H]21 1461870 SUCJNZHZRLXGME-SELNLUPBSA-N 444.984 4.496 10 40 IICB CCCCc1nnc(NC(=O)CCN2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)s1 9444738 FYYIPOLPVYCRQM-NTCAYCPXSA-N 446.623 4.419 10 40 IICB Cc1c(Cl)cccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3O)[C@@H]2C1=O 13750458 OBCHLMTVSZBEEC-FKBYEOEOSA-N 434.879 4.405 10 40 IICB O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc(Br)cc(Br)c1O 58856518 JGFXCDXEFWRJKZ-UHFFFAOYSA-N 446.091 4.061 10 40 IICB Cc1ccccc1OCCCn1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc21 59109584 KOALNUURQKIWKU-UHFFFAOYSA-N 447.560 4.018 10 40 IICB COC(=O)C[C@@H](c1cccs1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96222691 QOUHRZBJCYOHRS-ZDUSSCGKSA-N 438.457 4.333 10 40 IICB biogenic COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(OC)cc2)c1C 223011021 KDDRWLDJCZLQPS-GOTSBHOMSA-N 436.581 4.117 10 40 IICB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C 223012275 KZUTXKCUUZJZHE-DNQXCXABSA-N 449.624 4.174 10 40 IICB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1Br 408802228 XTJYGJLXLSPVIF-NTUHNPAUSA-N 449.688 4.086 10 40 IICB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc(C)c1 408804452 GFHGRWJBXDFUGR-KGENOOAVSA-N 442.471 4.249 10 40 IICB CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 100799225 PQYFAIATJQQAJU-VABKMULXSA-N 447.922 4.457 10 40 IICB Cc1cc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1N1CCCC1=O 225839497 HHQRNBVWCWQQCW-SFHVURJKSA-N 438.597 4.006 10 40 IICB CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(C4CCCC4)c3C)C(=O)NC2=S)c1 408786918 XMTYVEWOKSCDBL-FYJGNVAPSA-N 437.565 4.450 10 40 IICB Cc1cccc(COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2)c1 408865836 CEXJXKJLLUUVIL-JCMHNJIXSA-N 428.513 4.405 10 40 IICB CN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1ccc(N2CCCCC2)cc1 12640429 KMGHXORGIVFDHK-UHFFFAOYSA-N 448.611 4.420 10 40 IICB CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)OCO3)N2CCc3ccccc32)cc1 22419032 YRFUEPZIADQIAS-HSZRJFAPSA-N 444.535 4.407 10 40 IICB O=C(COc1cccc(/C=C2/SC(=S)NC2=O)c1)Nc1ccc(Cl)c(Cl)c1 106884270 FYFCZXAFALJUBU-VIZOYTHASA-N 439.345 4.500 10 40 IICB CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)c2C)cc1 408767000 USKIWRQRQUFAHR-LPYMAVHISA-N 431.467 4.462 10 40 IICB O=C(NN1C(=O)/C(=C\c2ccc(N3CCCC3)cc2)SC1=S)c1ccc(Cl)cc1 409351283 SZTRVLIVJHZXBS-QGOAFFKASA-N 443.981 4.486 10 40 IICB CC(=O)N1C(=O)/C(=C2\SC(Nc3ccccc3C(F)(F)F)=NC2=O)c2ccccc21 2292259 VOMFEXHYONXCOL-NXVVXOECSA-N 431.395 4.051 10 40 IICB Cc1ccc(-n2c(C)cc(C(=O)CSc3nnnn3-c3ccc(O)cc3)c2C)cc1C 2650959 YGXBZOCCSPSDIA-UHFFFAOYSA-N 433.537 4.367 10 40 IICB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 9427977 VTVILJKIRYYLAQ-UYRXBGFRSA-N 431.404 4.084 10 40 IICB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(O)c(Cl)c3)C2=O)cc1Cl 13660066 NARYCXZZLHNNPX-WMZJFQQLSA-N 441.654 4.027 10 40 IICB Cc1ccc(-c2ccc(/C=C3\SC(N4CCOCC4)=NC3=O)o2)c(Br)c1 13758993 USASLUYVBVRUGC-BOPFTXTBSA-N 433.327 4.320 10 40 IICB CC[C@H](C)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 33367308 LYMZFIVRDACKRQ-ATTDUZETSA-N 445.313 4.096 10 40 IICB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(Br)cc1 112290083 LVZGSMCNNCIVOL-UYRXBGFRSA-N 428.286 4.101 10 40 IICB Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1N(C)S(C)(=O)=O 222464087 VYWPFJXGNADCHF-MJGOQNOKSA-N 443.613 4.118 10 40 IICB CSc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1NC(=O)C(C)C 223315707 PMNNINPXUPDGIZ-UHFFFAOYSA-N 447.626 4.082 10 40 IICB CCN(CC)c1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 409243831 UWYJKWRMBUWREK-PDGQHHTCSA-N 447.482 4.383 10 40 IICB COc1ccc(N2CCN(C(=O)CN(Cc3cccs3)Cc3cccs3)CC2)cc1 10056681 IDUWQUOMOFXNKF-UHFFFAOYSA-N 441.622 4.169 10 40 IICB CC(C)=CCc1c2c(c(O)c3c(=O)c(-c4ccc(O)c(O)c4)coc13)C[C@H](C(C)(C)O)O2 15205928 NMEQUFXTRAXRGN-LJQANCHMSA-N 438.476 4.160 10 40 IICB biogenic Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)o1 41076282 JHLXBNLPGLLOHB-XGRCKQMDSA-N 449.370 4.345 10 40 IICB COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)c1 408879853 HIEHVTJMQOMVLV-VIZOYTHASA-N 449.688 4.086 10 40 IICB CC[C@@H](C)N1C(=O)/C(=C/c2ccc3c(c2)CCCN3Cc2ccccc2)C(=O)NC1=S 9452870 LYRIIAPEFWBJHG-WNSCPLKPSA-N 433.577 4.065 10 40 IICB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NCc3ccc4c(c3)OCO4)C2=O)cc1 112292517 ODJBWKUCVFPCBW-ULJHMMPZSA-N 441.487 4.239 10 40 IICB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cn2)c1C 223062056 IBRBCHRHVDQXPP-DHIUTWEWSA-N 435.597 4.202 10 40 IICB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)NC2=S)c1 409231894 LQPKVAYEQILRJL-LDADJPATSA-N 447.472 4.303 10 40 IICB CC(C)CCN(C)c1ccc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)cc1 666616 SWTCYYAFSFPXLQ-ZHZULCJRSA-N 442.357 4.393 10 40 IICB COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 408873143 NOPOEZRGDVDYOB-WQRHYEAKSA-N 445.393 4.369 10 40 IICB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1 408908307 BMVZATOCFPSOBD-UDWIEESQSA-N 434.398 4.210 10 40 IICB COC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 409177100 ANJQXTDGAJKVIW-PXNMLYILSA-N 437.901 4.437 10 40 IICB COc1ccc(N2CCN(C(=O)c3csc4nc(-c5ccc(F)cc5)cn34)CC2)cc1 11902153 NAXKNOKWZPIJOS-UHFFFAOYSA-N 436.512 4.173 10 40 IICB Cc1ccc(OCCCOc2cccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2)cc1 13897756 FUIUMQBZUZFYHV-MOHJPFBDSA-N 428.488 4.304 10 40 IICB Cc1ccc(OCCCn2cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c3ccccc32)cc1 59109585 HMWWPPNKLHWQOP-UHFFFAOYSA-N 447.560 4.018 10 40 IICB O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1C(=O)c1ccccc1Br 108092397 IUWJYQCDQCGVME-NTEUORMPSA-N 449.307 4.399 10 40 IICB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccn1 223526478 WLCYIHROZKCFJM-BJKOFHAPSA-N 440.576 4.452 10 40 IICB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCC3)c(F)c2)C1=O)Nc1ccccc1F 409067748 PRRCZBCKIGZFTD-UNOMPAQXSA-N 443.475 4.240 10 40 IICB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc1 409172917 MVJQZGJWROJAOB-XSFVSMFZSA-N 439.537 4.216 10 40 IICB COc1ccccc1N1C(=O)/C(=C/c2c(OC(C)C)ccc3ccccc23)C(=O)NC1=S 409174895 VIFULEHVRZFKMY-XMHGGMMESA-N 446.528 4.467 10 40 IICB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2)o1 2269042 BCVYNBUZXJFXJG-SFQUDFHCSA-N 437.249 4.376 10 40 IICB CCN1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3cc(Cl)ccc3O)=NN12 10214537 HPLYTEAPOQZMLB-IBGZPJMESA-N 427.932 4.410 10 40 IICB CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 12556035 YRFFEEKXMWVFFU-UHFFFAOYSA-N 448.894 4.016 10 40 IICB COC(=O)c1ccc(-n2c(C)cc(-c3csc(NC(=O)C4CCOCC4)n3)c2C)cc1 23271665 FXRMQYVMWKZAGP-UHFFFAOYSA-N 439.537 4.369 10 40 IICB O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C\C=C\c2ccc([N+](=O)[O-])cc2)SC1=S 32709478 LAVLUVFDSPKJCP-ZFZQPEKSSA-N 440.502 4.048 10 40 IICB CC[C@@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1OC 33383368 QVLRZCHGIOOJNY-GPLLRDDGSA-N 445.313 4.096 10 40 IICB Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1 102711939 SUZLDVKKXHHIIA-TZRRMPRUSA-N 427.504 4.112 10 40 IICB Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)nc1 223315962 AKZBQRUGYJKXHY-IEXUWNMDSA-N 447.608 4.344 10 40 IICB CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)c2c1 408777342 YXTGLEOODBWIDG-RCCKNPSSSA-N 446.528 4.469 10 40 IICB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OC(C)C 408803671 RVQSALBXKQIJKL-RIYZIHGNSA-N 449.290 4.456 10 40 IICB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cccn1-c1ccccc1F 409225177 JPHBOJXJBVYYIZ-WYMLVPIESA-N 425.872 4.101 10 40 IICB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3Cc3ccccc3Cl)C2=O)cc1 13661862 WFVXGSYSPJIMCU-ZHZULCJRSA-N 433.895 4.419 10 40 IICB CCN(CC)c1ccc(/C=c2\sc3nc(-c4cccc5ccccc45)nn3c2=O)cc1 16736055 LKTVLPWSWKEIJK-JWGURIENSA-N 426.545 4.365 10 40 IICB O=C(Nc1cccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1)c1cccnc1 58265897 DZCIYMDQVLODQU-QFIPXVFZSA-N 446.507 4.253 10 40 IICB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Cc1ccccc1 59336662 OVFBFKYEKQAQKN-RCCKNPSSSA-N 430.435 4.092 10 40 IICB CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 100799204 XNHDMZWCNVWVKI-VJBWXMMDSA-N 447.922 4.457 10 40 IICB COC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CC[C@@H](C(C)(C)C)C2 169620069 AOFOZLCGOQZXJB-PMUIAIRXSA-N 433.570 4.371 10 40 IICB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1Cc1ccccc1F 408870768 XKXVLIFXLWACSX-FYJGNVAPSA-N 444.462 4.400 10 40 IICB CCCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 409047110 MRMJWLJJMPJLGU-MHWRWJLKSA-N 449.290 4.457 10 40 IICB CC(=O)N1CCCCCCCN(Cc2coc(C)n2)Cc2cc(N3CCOCC3)ccc21 643562943 AGTLIIAQFGNQSR-UHFFFAOYSA-N 440.588 4.139 10 40 IICB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCC 671235 VTJJNKUGWMTSCH-YBEGLDIGSA-N 428.872 4.112 10 40 IICB O=C1/C(=C/c2cccs2)SC(=S)N1CC(=O)N1CCCC[C@H]1c1cccnc1 9253219 WHDBAOTXDSVWFQ-FDIDWWNZSA-N 429.592 4.098 10 40 IICB biogenic O=C(CCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NCCc1ccccc1 12276175 PFGSUVDBKFRZDQ-CYVLTUHYSA-N 428.554 4.166 10 40 IICB CCOC(=O)N1CCC2(CC1)N=C(c1ccccc1O)C[C@@H](c1cc(Cl)ccc1O)N2 64775589 UPGAWQMIJZZZCO-IBGZPJMESA-N 443.931 4.224 10 40 IICB biogenic CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccc(Cl)cc2)cc1 95528653 UPKRAJVVJLFKFB-VJBWXMMDSA-N 447.922 4.457 10 40 IICB COc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)c2C)cc1 205710985 LCJIQYNFYLFMLH-YBFXNURJSA-N 428.510 4.091 10 40 IICB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 408867394 KRIRMFIEPPHUBM-ZHZULCJRSA-N 444.512 4.106 10 40 IICB COc1ccc(-c2nc(CN3CCN(Cc4c(O)ccc5ccncc45)CC3)cs2)cc1 23612919 NOVQBBHCPOIEPQ-UHFFFAOYSA-N 446.576 4.390 10 40 IICB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccc(Cl)cc1C 112290003 FYPKFPIDTZHGIL-STZFKDTASA-N 427.888 4.309 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1ccccc1 408692152 FOOYWZXHRSQXAN-XSFVSMFZSA-N 434.492 4.069 10 40 IICB COc1ccc(CN2C(=O)[C@@H](Cc3cc(OC)c(OC)cc3Cl)SC2=S)cc1 409143418 FBSCYPLAPXYZRP-GOSISDBHSA-N 437.970 4.337 10 40 IICB O=C(NN1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S)c1cccs1 409349272 VIRKHBZJGOUNTL-KPKJPENVSA-N 443.344 4.196 10 40 IICB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c(C)n1-c1ccc(Cl)cc1 35200237 DSZTUYKUUNOKKL-LFVRLGFBSA-N 427.932 4.431 10 40 IICB N=C1/C(=C/c2coc3ccccc3c2=O)C(=O)N=C2SC(Cc3ccc(Cl)cc3)=NN12 41085213 QFLPUKVBJBYMAV-MEOLDJOHSA-N 448.891 4.308 10 40 IICB CCS(=O)(=O)Nc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260452888 AGUIBRMUGUHOAM-ZWKOTPCHSA-N 429.586 4.176 10 40 IICB Cc1ccc(-n2nc(C)c(/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)cc1 408755054 BECIIRQXHKCZCV-NDENLUEZSA-N 434.883 4.117 10 40 IICB COC(=O)[C@@H](Sc1ccc(Cl)cc1)[C@@H]1SC(=S)N(Cc2ccccc2)C1=O 1567378 SCFYJGSMZBGPRO-HOTGVXAUSA-N 437.995 4.403 10 40 IICB CCN(CC)c1ccc(/C=C2\SC(N3CCN(c4ccc(F)cc4)CC3)=NC2=O)cc1 9187962 DQZWSIAXAPLGSE-XLNRJJMWSA-N 438.572 4.464 10 40 IICB CC(=O)NC1=NC(=O)/C(=C\c2ccc(OCc3ccccc3F)c(Br)c2)S1 32111741 GXGFYEVWPUYUHD-RQZCQDPDSA-N 449.301 4.274 10 40 IICB COc1c(Cl)cc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)cc1Cl 59105193 PRDPFVPKXNXQGJ-NYYWCZLTSA-N 435.219 4.237 10 40 IICB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 59336649 DXOQQJKVIZFCNG-RVDMUPIBSA-N 448.435 4.113 10 40 IICB COc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)cc1 108238517 HWQFHMBOAQTMEU-XNTDXEJSSA-N 449.351 4.004 10 40 IICB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2)c1C 223687049 OCINIGGKFGVGMO-ZEQRLZLVSA-N 448.592 4.333 10 40 IICB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OC(C)C)C2=O)cc1 408816725 UJCQZRJBENBSKW-LDADJPATSA-N 428.872 4.192 10 40 IICB CCOc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC 409128917 PXDVFRKDVXRLLV-OQLLNIDSSA-N 444.940 4.195 10 40 IICB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O 409216290 JUYDQUKFBRQQBE-GEYIUBJWSA-N 442.537 4.481 10 40 IICB COc1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4C)C3=O)c2C)c1 409237808 JQUTZCGXPDQISI-BKUYFWCQSA-N 445.544 4.242 10 40 IICB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)ccc1OC(C)C 409250290 MXLILGDQRRJMKZ-XDHOZWIPSA-N 438.549 4.437 10 40 IICB CCOc1cc([C@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)ccc1N1CCOCC1 222691864 BVMRVIINSYDKQB-YSZBQJHXSA-N 438.597 4.296 10 40 IICB Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c1C 223582257 XGFFNYDFMYLVRY-FCHUYYIVSA-N 441.000 4.416 10 40 IICB CCN(CC)c1ccc(/C=C2/SC(=O)N(CCCOC)C2=O)cc1Br 409253369 UDXILBUQOIJQER-FOWTUZBSSA-N 427.364 4.368 10 40 IICB COc1cccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1OC 105654389 FNLSZYIABVQVBG-UHFFFAOYSA-N 444.512 4.452 10 40 IICB CCN1C(=O)C(=Cc2ccc(OCc3c(F)cccc3Cl)cc2)C(=O)N(CC)C1=S 408600996 IGLPKHYMUCEFLT-UHFFFAOYSA-N 446.931 4.437 10 40 IICB Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccccc3C(=O)O)C2=O)cc1 1181306 XFRKEEAWXJEAFP-QGOAFFKASA-N 440.546 4.313 10 40 IICB Cc1cccc(OCCCOc2cccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)c2)c1 9425569 MTADTLZWHSWHMB-HKOYGPOVSA-N 428.488 4.304 10 40 IICB O=C1CCCC[C@]2(CN(Cc3ccc(N4CCCCC4)cc3F)C[C@H]2c2ccccn2)N1 19402270 KLLFWGNBMISBAG-BKMJKUGQSA-N 436.575 4.239 10 40 IICB CCN1C(=O)N=C(O)/C(=C\c2cn(CCOc3ccccc3OC)c3ccccc23)C1=O 27549062 KDBKZTYNTTWZHJ-NBVRZTHBSA-N 433.464 4.051 10 40 IICB COc1ccc(N(C)CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)cc1OC 58158471 OKUUSGYGLSJUBB-KRWDZBQOSA-N 425.510 4.172 10 40 IICB COc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(C(C)C)C3=O)c2)c1 408573795 KNTMGRGZDHWXMN-ODLFYWEKSA-N 442.562 4.322 10 40 IICB Cc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(C(C)C)c(O)c1Br 6142720 RXCNCAARFILFPS-UHFFFAOYSA-N 429.292 4.296 10 40 IICB CN1CCc2cc([C@H](CNC(=O)c3ccc(-c4ccccc4)cc3)N3CCOCC3)ccc21 22733503 ZMRWNHWTYSXNOR-MHZLTWQESA-N 441.575 4.149 10 40 IICB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccccc2)c([N+](=O)[O-])c1 34690436 NRYYFNNAJRHQBO-WQRHYEAKSA-N 449.850 4.289 10 40 IICB CCN(CC)c1ccc(CN(C(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)[C@H]2CCS(=O)(=O)C2)cc1 54317472 QAOXONSVQHWZME-RJGXRXQPSA-N 446.657 4.287 10 40 IICB Cc1c(NS(C)(=O)=O)cccc1C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 218579698 YMLFCBRNRCRAGK-SJLPKXTDSA-N 429.586 4.094 10 40 IICB Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4ccccn4)o3)C(=O)NC2=S)c1 408991629 OOUPMLYUQMAIJG-SFQUDFHCSA-N 435.530 4.274 10 40 IICB Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1 1504719 GUMULBSGKTWCED-GDNBJRDFSA-N 433.352 4.304 10 40 IICB CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)NCc2ccco2)cc1 9243797 FYROFDDOQGUHHL-RNXOBYDBSA-N 439.600 4.110 10 40 IICB CC1=CC2=NC(=O)/C(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)C(=N)N2O1 20236179 YXXODBNEOKIGTH-OTHHCBNDSA-N 425.286 4.307 10 40 IICB Cc1c(N/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)c(=O)n(-c2ccccc2)n1C 26963400 ZZKBABNHKBTLJY-NKFKGCMQSA-N 449.514 4.231 10 40 IICB CSc1cccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)c1 49003912 KVFXNWGQDXFQAR-UHFFFAOYSA-N 432.542 4.327 10 40 IICB O=C(NN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)c1ccccc1Br 1238001 SVDQQYWTCOLVHL-ZROIWOOFSA-N 437.315 4.134 10 40 IICB CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OC(=O)c1cc(C)cc([N+](=O)[O-])c1 9296548 BEHHFBDNLNTHSG-RQZCQDPDSA-N 444.490 4.010 10 40 IICB Cc1cc(C(=O)[C@@H](C)Sc2nc(N)cc(N)n2)c(C)n1-c1ccc(OC(F)F)cc1 16049589 KDIBALIMLFPJAH-GFCCVEGCSA-N 433.484 4.013 10 40 IICB Cc1cc(C(=O)Nc2cc3c(cc2Br)OCCO3)c(C)n1-c1ccccn1 23193457 XQACDEXHCLFNOW-UHFFFAOYSA-N 428.286 4.275 10 40 IICB CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2F)S1 32111829 OGKWCMGPFHUFQF-RQZCQDPDSA-N 449.301 4.274 10 40 IICB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(Cn2cncn2)cc1 100422626 AOMFBBIJIAHHLM-ZHZULCJRSA-N 429.509 4.045 10 40 IICB COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 408794991 KVIBBFHZJGZHSG-WJDWOHSUSA-N 443.253 4.235 10 40 IICB CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1 409200523 HXOSRVJBHFLPQC-ZHZULCJRSA-N 439.537 4.216 10 40 IICB Cc1ccc(C)n1N1C(=O)/C(=C\c2cccn2Cc2ccccc2[N+](=O)[O-])SC1=S 409207163 SNSLPNWWFGNEJM-XDHOZWIPSA-N 438.534 4.400 10 40 IICB Cc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1Cc1ccccc1 8766487 YRSFZWTVVRFCKN-GTKUIMRKSA-N 431.443 4.335 10 40 IICB CCCOc1ccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)N=C2O)cc1OCC 32101793 VIIKDNKEBZWVQQ-ATVHPVEESA-N 439.424 4.289 10 40 IICB CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc3cccc(Cl)c3n2)SC1=S 8991153 LDNSTQMFGXNENZ-OZYJXZHSSA-N 438.983 4.296 10 40 IICB COc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c(OC)c1 9137888 GEWKPLSWGWJUIO-XMMPIXPASA-N 437.584 4.043 10 40 IICB COC(=O)c1[nH]c2ccc(F)cc2c1/C=C1/SC(=S)N(Cc2ccccc2)C1=O 13692245 HIJVAZTUPPBCSN-LICLKQGHSA-N 426.494 4.495 10 40 IICB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C=C4C)C2=O)cc1 208453452 JBWGKSLXNOAHLN-FYJGNVAPSA-N 445.519 4.302 10 40 IICB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1OC(C)C 409009550 AWSYTSRRVJYBNN-NTEUORMPSA-N 449.290 4.456 10 40 IICB CCOc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc([N+](=O)[O-])c1O 409329657 HDSIVRNDAOUICI-OVCLIPMQSA-N 447.450 4.013 10 40 IICB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 15228051 QRVRBKSEELOAHB-IQDKPADRSA-N 433.504 4.117 10 40 IICB CC(C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 408803472 PHFNWKQCPIXMSN-DEDYPNTBSA-N 445.431 4.202 10 40 IICB CCOc1ccc(/C=C2/C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)c2ccccc12 409012535 KDFBYUFCKCALKW-XLNRJJMWSA-N 444.487 4.264 10 40 IICB CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(Br)c(N(C)C)o3)C2=O)cc1 59105120 WXNVHWZECCRGST-NTEUORMPSA-N 448.273 4.014 10 40 IICB CCN(c1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1)S(C)(=O)=O 218781350 IMVWUBYTAREEIN-RTBURBONSA-N 443.613 4.200 10 40 IICB COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)NC1=S 409173668 OEGMFPFKLNALOR-FOWTUZBSSA-N 438.892 4.440 10 40 IICB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2cccc(C)c2C)C1=O 409246596 JIMUWOXQUJFQPX-XDJHFCHBSA-N 429.476 4.159 10 40 IICB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)c(O)c1 16678425 FAYPXQOSUJJRMR-XSFVSMFZSA-N 429.476 4.058 10 40 IICB CC[C@H](Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1[N+](=O)[O-])c1ccccc1O 72277407 HPRJBFAPIXBQHH-YJBOKZPZSA-N 433.530 4.284 10 40 IICB Cc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccc(N(C)C)cc3)C2=O)c(C)c1 102708915 OXOJCPIGDKKQKH-CCDWMCETSA-N 441.531 4.421 10 40 IICB COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 225838870 ARAAEEOKRSXCFX-AWEZNQCLSA-N 433.961 4.011 10 40 IICB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CCCN3C(=O)c4ccccc4C3=O)cc2)C1 260577586 DCUDJHBQHZERPU-OALUTQOASA-N 433.552 4.177 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1OCC 408803896 UNPOPBICGIYBGB-MHWRWJLKSA-N 442.899 4.421 10 40 IICB O=C(NN1C(=O)/C(=C/c2cccs2)SC1=S)c1ccc(Br)cc1 969617 VSOUFLOOPDNVOV-WQLSENKSSA-N 425.354 4.057 10 40 IICB CCOc1cc(/C=C2\SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)ccc1O 1890487 TZRQZLBSCCZMIY-MOSHPQCFSA-N 443.956 4.237 10 40 IICB Cc1cc(C2=NN=C(NC[C@@H]3CCCO3)SC2)c(C)n1-c1ccc(OC(F)F)cc1 12546808 BBOCPJANZJLSBQ-KRWDZBQOSA-N 434.512 4.271 10 40 IICB CN(C)c1ccc([C@H]2NC[C@@H](CSc3nnc(Nc4ccccc4F)s3)O2)cc1 58982938 XQBTUJHSMBRAFY-YJBOKZPZSA-N 431.562 4.266 10 40 IICB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1cc2c(cc1Cl)OCO2 98086388 OBGGDGFEHVFKIR-NGYBGAFCSA-N 449.937 4.487 10 40 IICB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cc2)c1C 223687241 LTVVRXNQBDTEPS-ZEQRLZLVSA-N 448.592 4.333 10 40 IICB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(OCc2ccccc2)c1 408812687 NHXALUPSUROMOZ-HYARGMPZSA-N 442.471 4.249 10 40 IICB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OC 408997308 MOZBOPIOUCHFCT-ATVHPVEESA-N 428.282 4.335 10 40 IICB COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)C1=O 409249810 LQXPUXILBAUPQD-YBFXNURJSA-N 445.497 4.084 10 40 IICB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1cn(Cc2ccccc2)c2ccccc12 2868082 QBLFZFAXWOJNTL-XSFVSMFZSA-N 439.446 4.495 10 40 IICB Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)c2C)cc1C 9588556 LDVFEADZWDGBPX-MHZLTWQESA-N 441.531 4.287 10 40 IICB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1cc(Cl)c2c(c1)OCCCO2 12534510 QXBFJKRAWSSAFA-VMPITWQZSA-N 442.943 4.010 10 40 IICB O=C(O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4F)C(=S)N=C3O)o2)c1 59135748 RZSHVPQPSVNSCE-PTNGSMBKSA-N 436.420 4.456 10 40 IICB CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccncc3)c2C)C(=O)N(c2ccccc2)C1=S 409021840 BJWXDIUYHISXOA-CJLVFECKSA-N 444.560 4.443 10 40 IICB O=C1S/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N1CC1CCCCC1 409125752 KEPCFDOIUQVKBD-CPNJWEJPSA-N 431.514 4.048 10 40 IICB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c1C 409393259 PKQDIJFVZIDNBO-YBFXNURJSA-N 434.883 4.117 10 40 IICB CCc1cc(=O)oc2c(C)c(O)c(CN(CCOC)C[C@@H]3CCCN4CCCC[C@H]34)cc12 524729741 HUCOICWDMNKTBK-NZQKXSOJSA-N 442.600 4.082 10 40 IICB biogenic COc1ccc(CCN2C(=O)/C(=C/c3ccc4c(c3)C[C@@H](C)O4)SC2=S)cc1OC 2325426 ONHGQNYKHDSLIU-SFDYMUJDSA-N 441.574 4.471 10 40 IICB CCN1C(=O)C(=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)C(=O)N(CC)C1=S 4106523 OQKTWFMRPBWDTB-UHFFFAOYSA-N 449.498 4.492 10 40 IICB CN(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(OCc2ccccc2Cl)c1 35125233 UALBNLNFAADEHB-STZFKDTASA-N 447.922 4.446 10 40 IICB CCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)SC1=S 409338554 LXJFNUHLHSBBDM-XDHOZWIPSA-N 442.562 4.242 10 40 IICB O=C(CSc1nc2ccccc2c2nc(-c3ccccc3)nn12)c1ccc(O)c(O)c1 2968999 UQZSQAVVUYADSW-UHFFFAOYSA-N 428.473 4.331 10 40 IICB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1c[nH]c2ccc(Br)cc12 8722663 UGIJQVYAVKJXCE-GIDUJCDVSA-N 444.672 4.250 10 40 IICB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(F)cc1 16214639 LVHCNVDGVLSKAK-DEDYPNTBSA-N 446.434 4.080 10 40 IICB CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc(SC(F)(F)F)cc1 21627903 CJEYKUUFKFLIBV-UHFFFAOYSA-N 426.460 4.180 10 40 IICB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 33316864 BPZYGICGBZZDQD-LFIBNONCSA-N 442.855 4.093 10 40 IICB O=C(Nc1cccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1)c1ccco1 48229627 SFIGMZMSTUKWLE-HXUWFJFHSA-N 435.480 4.451 10 40 IICB O=C1N=C(O)/C(=C\c2cc(Cl)c(O)c(Br)c2)C(=O)N1c1ccc(F)cc1 59135146 ZPMKFOQJCYDROV-VZUCSPMQSA-N 439.624 4.454 10 40 IICB CCc1nc(S/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3C)c2C)C(=O)O)n[nH]1 408631194 FWSMBHAINWEALA-WOJGMQOQSA-N 440.525 4.087 10 40 IICB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)OC 409346068 MNMHZKLDBMHFML-XDHOZWIPSA-N 443.546 4.351 10 40 IICB O=C1/C(=C\c2ccccc2F)SC(=S)N1CCC(=O)N1CCCc2ccccc21 8819248 LRVPQDDDYABCSJ-XMHGGMMESA-N 426.538 4.396 10 40 IICB O=C1/C(=C/c2ccco2)SC(=S)N1CCC(=O)N1CCCC[C@@H]1c1cccnc1 8995807 PKAJEVRUMGRTJD-GFWHJHDHSA-N 427.551 4.020 10 40 IICB O=C(CCCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1cccc(C(=O)O)c1 9444152 GFFQDVIYYUBYKB-GZTJUZNOSA-N 444.509 4.144 10 40 IICB CCOc1cc(/C=C2\C(=O)N(c3ccc(F)c(Cl)c3)C(C)=C2C(=O)OC)ccc1O 14413784 YGEGOYLQQJUZIW-DHDCSXOGSA-N 431.847 4.461 10 40 IICB Cc1ccc(C2=NN[C@]3(S2)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc23)cc1 22118508 BCEZMMOINBXGPC-HSZRJFAPSA-N 430.489 4.301 10 40 IICB CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(OC)cc1OC 32181162 PQIBNNNXIYMBIE-STZFKDTASA-N 437.492 4.370 10 40 IICB Cc1cc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)ccc1Br 49003798 RWAYFFQXTFACJO-UHFFFAOYSA-N 447.354 4.147 10 40 IICB O=C1/C(=C/c2cc3cc4c(cc3[nH]c2=O)OCO4)SC(=S)N1c1ccc(Cl)cc1 51330818 TWDOXFKFBOXODH-IDUWFGFVSA-N 442.905 4.316 10 40 IICB COc1ccc2c(/C=C3\SC(=S)N([C@@H](Cc4ccccc4)C(=O)O)C3=O)c[nH]c2c1 51330861 BECPYPHDBTVBQG-LTUPMRBCSA-N 438.530 4.074 10 40 IICB CCOc1cccc(N2C(=O)/C(=C/c3ccc(N(CC)CC)cc3O)C(O)=NC2=S)c1 83304204 YOOYRXVCYKFAGL-XDHOZWIPSA-N 439.537 4.309 10 40 IICB CC(C)n1[nH]c(=O)c2c(-c3coc4ccccc4c3=O)c3oc4c(O)c(O)ccc4c3nc21 85879065 MFGQMPCAUOMBBU-UHFFFAOYSA-N 443.415 4.390 10 40 IICB biogenic COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(Cc2ccccc2F)c1 408875220 HORWKZMGYNQSQG-PXLXIMEGSA-N 444.462 4.400 10 40 IICB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(OCC)c1 409075493 WHSICNIVXVREEI-GXDHUFHOSA-N 449.290 4.457 10 40 IICB NC(=O)COc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O 409329043 CCQDMYJLPXLVLN-CHHVJCJISA-N 439.345 4.263 10 40 IICB COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(OC)c1 2566688 SMHQHZCYNXEDSW-UHFFFAOYSA-N 428.444 4.287 10 40 IICB Cc1cc(C(=O)COC(=O)c2ccc3ncsc3c2)c(C)n1-c1ccc2c(c1)OCO2 3479230 YTEREFOGYWOHDJ-UHFFFAOYSA-N 434.473 4.472 10 40 IICB COc1cc([C@H]2CC3=Nc4ncnn4[C@@H](c4ccccc4O)C3=C(O)C2)cc(OC)c1OC 102592018 AHXVPDQBQNHWMS-XMHCIUCPSA-N 448.479 4.075 10 40 IICB CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=N/N1CCN(c2ccc(F)cc2)CC1 2272645 OZAILRBZZNBKLI-OCEACIFDSA-N 425.464 4.313 10 40 IICB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)c2)cc1 15541114 JJFKCZRNVBJREM-UHFFFAOYSA-N 437.565 4.134 10 40 IICB CCOc1cc(/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)ccc1OCC(=O)O 15930693 IKYIWWLGOSAVDS-RQZCQDPDSA-N 448.397 4.374 10 40 IICB CCOc1cc(N2CCOCC2)ccc1[C@H]1[C@H](c2ccccn2)N=C2SC[C@@H](CC)N21 222681386 OBBXZXBQOCMUKE-VSDWSMLSSA-N 438.597 4.296 10 40 IICB Cc1cc(-n2c(C)cc(C(=S)N3CCOCC3)c2C)ccc1I 408741114 KEYMJSSHHNHVTR-UHFFFAOYSA-N 440.350 4.015 10 40 IICB Cc1ccc(N2C(=O)C[C@@H](N3C(=O)/C(=C/c4ccc(Cl)cc4)SC3=S)C2=O)cc1 1440498 LQYKGZNJNUAIKR-FNTDYBJHSA-N 442.949 4.182 10 40 IICB CCCOc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)OC)C2=O)cc1OC 4283982 PJHCOEZDCKVPKR-JXAWBTAJSA-N 437.583 4.419 10 40 IICB COc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OCc1ccc(Cl)cc1Cl 113830978 LXOCJJBFUOHWTL-UHFFFAOYSA-N 449.290 4.015 10 40 IICB CCCN1C(=O)/C(=C\c2ccc(O)c(Br)c2)C(=O)N(c2ccccc2)C1=S 409017421 ZPZJYHOXRJWDGH-RVDMUPIBSA-N 445.338 4.108 10 40 IICB CCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OC 9195626 LBOODZATKUSYRA-RGEXLXHISA-N 442.562 4.420 10 40 IICB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc4ccccc4c3)C2=O)cc1 9934895 BDPBBTZPCYMOIS-XQNSMLJCSA-N 437.455 4.306 10 40 IICB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1nc2ccc(Cl)cc2s1 13601912 CSBNRTXBCVEHKP-WQLSENKSSA-N 433.276 4.182 10 40 IICB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C 223012147 KZUTXKCUUZJZHE-RPWUZVMVSA-N 449.624 4.174 10 40 IICB O=C(O)c1cccc(Cl)c1OCC(=O)N(Cc1ccccc1)Cc1ccccc1O 257284616 PDMKEEDXWBFIDE-UHFFFAOYSA-N 425.868 4.352 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(Br)cc3Cl)C2=O)c(C)c1 408537948 ILDZGEIVJNISKA-UKTHLTGXSA-N 448.704 4.298 10 40 IICB Cc1nn(-c2cccc3ccccc23)c(C)c1/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 408756720 JDIZSXJXRROWNW-JCMHNJIXSA-N 436.471 4.309 10 40 IICB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1OC 664835 ZEGDJTDYXSWTKP-OQLLNIDSSA-N 444.940 4.195 10 40 IICB COc1cc(/C=C2\SC(=O)NC2=S)ccc1OCC(=O)Nc1ccc(Cl)cc1 9244432 YYXMHQLFSVCZPP-SXGWCWSVSA-N 434.926 4.491 10 40 IICB O=C1C[C@H](N2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)C(=O)N1c1ccc(Cl)cc1 16712597 JTXFAFAIAQZWRA-HVVQPJKBSA-N 446.912 4.012 10 40 IICB CCN(Cc1cc(Br)ccc1O)C(=O)C1(c2ccc(F)cc2)CCOCC1 84774824 RVDCDMHPJFOKQX-UHFFFAOYSA-N 436.321 4.391 10 40 IICB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 409210578 LNECWJKEOZFAPC-GZTJUZNOSA-N 429.450 4.024 10 40 IICB CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1OCC(=O)OC 409335632 XXFSREUWRIXQTH-WQRHYEAKSA-N 447.509 4.182 10 40 IICB COc1ccc(N2CCN(C(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)CC2)cc1 9713663 ODSOINFTMORQFH-RUZDIDTESA-N 442.515 4.112 10 40 IICB CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(F)cc1 59194093 UOKHVROPEUCJEW-KGENOOAVSA-N 432.451 4.265 10 40 IICB O=C(NC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1)c1cccc([N+](=O)[O-])c1 100011086 NVMCTYFWKJPYBA-UHFFFAOYSA-N 427.631 4.035 10 40 IICB CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 218442052 FJZDXXZYBTXPGK-MOPGFXCFSA-N 443.613 4.200 10 40 IICB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C 222810271 QSIDJFJWXFKVIO-FGZHOGPDSA-N 434.565 4.268 10 40 IICB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cc2)c1C 223650539 GDQJWDNVAULQBO-ZEQRLZLVSA-N 448.592 4.333 10 40 IICB Cc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c(C)n1-c1cccc(C(=O)O)c1 8997625 AMOUMSPROQNJSP-UDWIEESQSA-N 447.422 4.438 10 40 IICB Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)cc1 223265902 USQLGXSZIDDCTG-DNQXCXABSA-N 433.625 4.332 10 40 IICB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\Nc1cccc2ccccc12 408550284 FMLJHAXXSBTPEN-PTNGSMBKSA-N 425.872 4.376 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4nc5ccccc5[nH]4)o3)C2=O)cc1 408781378 CSAZPTOBVVBKIM-FOWTUZBSSA-N 444.472 4.282 10 40 IICB Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 409000236 NAMLAXQHBBPPRY-UHFFFAOYSA-N 449.894 4.076 10 40 IICB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cl)cc3Cl)C2=O)cc1OC 409215379 ZYRMTOJWMWHWAC-OQLLNIDSSA-N 449.290 4.457 10 40 IICB CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)c(OCC)c1 2252832 BOJJLOVEJJCFMF-PDGQHHTCSA-N 428.535 4.030 10 40 IICB O=C1C(=Cc2cc([N+](=O)[O-])ccc2O)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 3017918 ITDMXXXAMREYAI-UHFFFAOYSA-N 445.456 4.049 10 40 IICB CC(=O)N1C(=O)/C(=C2\SC(Nc3cccc(Cl)c3Cl)=NC2=O)c2ccccc21 8871669 JJPZVEVCMGRANV-PEZBUJJGSA-N 432.288 4.339 10 40 IICB CCOc1ccccc1COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 9245388 QFYCZXDXLJXUHP-UHFFFAOYSA-N 431.400 4.126 10 40 IICB CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCOc1ccccc1OC 13897400 QVEGERFJWYKGCL-XSFVSMFZSA-N 445.562 4.383 10 40 IICB Cc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(c3ccccc3)CC2)c1 22665466 AKCCATAOUSHGRP-HHHXNRCGSA-N 442.607 4.354 10 40 IICB Cc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1N1CCCC1=O 225839534 BPEKDZYKXRSZSD-SFHVURJKSA-N 438.597 4.006 10 40 IICB COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1Cl 408782279 GQJLZWVGZCSIPU-YFHOEESVSA-N 425.655 4.322 10 40 IICB CCN1C(=O)C(=Cc2ccc3c(ccn3Cc3cccc(F)c3)c2)C(=O)N(CC)C1=S 409240951 VROSDFVRRZLVJD-UHFFFAOYSA-N 435.524 4.208 10 40 IICB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NC1CCCCCC1 17095013 TUHINCUQQKDYHR-ZHZULCJRSA-N 426.542 4.148 10 40 IICB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NCCc1c[nH]c2ccccc12 33542120 QWNWOBZYKBYDSC-MIAABOGCSA-N 447.585 4.284 10 40 IICB COc1ccc(N2C(=O)N=C(O)/C(=C\c3c[nH]c4ccc(Br)cc34)C2=O)cc1 1098327 SUIJOFRTMKFIOY-LZYBPNLTSA-N 440.253 4.446 10 40 IICB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O 2657726 AZKPZOAHTOAKCK-SANMLTNESA-N 429.520 4.443 10 40 IICB Cc1ccc(Cl)c2c1N[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)[C@H]1CC=C[C@H]21 33932958 SUCJNZHZRLXGME-YDHSSHFGSA-N 444.984 4.496 10 40 IICB Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccccc2Cl)C(=O)NC1=S 408742312 QNZZUSNKVZIDMT-UKTHLTGXSA-N 435.730 4.242 10 40 IICB CCOc1ccc2ccc(OCC)c(/C=C3\SC(=S)N(CC(=O)OC)C3=O)c2c1 409216748 OEADMKNDBRBTAO-WQRHYEAKSA-N 431.535 4.011 10 40 IICB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O 409236751 HGSXQRQSWCPVNC-XSFVSMFZSA-N 447.466 4.298 10 40 IICB COC(=O)c1ccccc1-n1c(C)cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c1C 3659349 LADTYJOQWHQUMI-FYJGNVAPSA-N 447.466 4.113 10 40 IICB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2ccc(N3CCCCCC3)o2)C1=O 9324059 KXAUIEKYLFYWTE-SSZFMOIBSA-N 427.888 4.288 10 40 IICB CC(=O)C1=NN(c2ccccc2)[C@@H](c2ccc(N3CCOCC3)cc2)N1c1ccccc1 15219318 FJHJERLTRKJMNA-SANMLTNESA-N 426.520 4.451 10 40 IICB Oc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccncc2)c(O)c1 102829015 DNRVDJJKJFVXHV-RXVVDRJESA-N 438.281 4.498 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)cc3)C2=O)cc1 408782820 JXSXZUXNFPEEJT-KGENOOAVSA-N 430.435 4.380 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1Cc1ccccc1F 408874615 CODAOUNFSDQYEP-KGENOOAVSA-N 444.462 4.482 10 40 IICB COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cc(Br)ccc1O 14414296 OTUFYCHERKLQDW-WQRHYEAKSA-N 442.309 4.336 10 40 IICB CC1(C)OC(=O)C(=Cc2ccc(-c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)o2)C(=O)O1 96193212 WKJCJNGYJHJQSX-UHFFFAOYSA-N 426.425 4.065 10 40 IICB Cc1cc(N2CCCC2)c(F)cc1/C=C1\SC(=O)N(CC(=O)Nc2ccccc2)C1=O 107986728 VQFGRZANIYRLJP-MOSHPQCFSA-N 439.512 4.409 10 40 IICB N=C1/C(=C/c2cn(Cc3ccc4c(c3)OCO4)c3ccccc23)C(=O)N=C2SC=CN12 2431842 KUKKGZNWWRVATD-NRMLNOAJSA-N 428.473 4.195 10 40 IICB COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)O 9188515 IIXQPXHNXHLMJU-SXGWCWSVSA-N 435.910 4.218 10 40 IICB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1 33784655 NIEWVFAMYKEYQE-UNOMPAQXSA-N 448.862 4.079 10 40 IICB CCCOc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(OC)cc2)C1=O 408601249 JIQNKVPOYVDGAG-QGOAFFKASA-N 428.535 4.030 10 40 IICB Cc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)c1 408760236 UYLVTUXYFNXKSD-LICLKQGHSA-N 427.298 4.349 10 40 IICB Cc1cc(/C=C2/C(=O)NC(=S)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(F)cc1 2234216 ASXMUTJIDIQDSJ-MOSHPQCFSA-N 425.529 4.193 10 40 IICB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(C)c3C)C2=O)cc1OC 8819365 JYWBIDYVSXABKL-ODLFYWEKSA-N 442.562 4.161 10 40 IICB O=C(COC(=O)/C=C/c1cccc(Cl)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9283705 FNAKVAVWEOUUNS-DHZHZOJOSA-N 445.858 4.311 10 40 IICB Cc1c(CC(=O)NCC(c2ccccc2)c2ccccc2)c(=O)oc2c(O)c(O)ccc12 9429728 PNXOTQRSCNHGCD-UHFFFAOYSA-N 429.472 4.003 10 40 IICB CN(C)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 10037795 IHKZBHLSZFXOLE-YVLHZVERSA-N 449.454 4.446 10 40 IICB Cc1nnc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)s1 11565594 XMWHCCDUURLXPW-LCYFTJDESA-N 438.987 4.120 10 40 IICB Cc1cc(-n2c(C)cc(/C=C3/SC(=N)NC3=O)c2C)ccc1I 13426743 SDUGRSUDXSDORH-OVCLIPMQSA-N 437.306 4.146 10 40 IICB Cc1ccccc1C(=O)N1CCC(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1 21963520 RXXAYZGALUDEAR-UHFFFAOYSA-N 433.596 4.496 10 40 IICB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 108059304 UCVVSELWZOXRDX-HMAPJEAMSA-N 445.519 4.322 10 40 IICB Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccccc3F)c2C)C(=O)NC1=S 409246729 ASKMRDGXGAAEIB-QGOAFFKASA-N 433.508 4.373 10 40 IICB COc1ccccc1N1C(=O)CN(c2cccc(C)c2C)C(=O)[C@@H]1c1ccc(N(C)C)cc1 15412211 LGDOGIUVEKTDQW-SANMLTNESA-N 443.547 4.499 10 40 IICB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C 222810085 QSIDJFJWXFKVIO-VXKWHMMOSA-N 434.565 4.268 10 40 IICB Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c1C 223582159 XGFFNYDFMYLVRY-FGZHOGPDSA-N 441.000 4.416 10 40 IICB CCCCOCc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1OCC 224730698 NZNCOGFSGDTYCJ-UHFFFAOYSA-N 426.557 4.373 10 40 IICB Cc1ccc(-n2nc(C)c(/C=C3/C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)c2C)cc1 408758222 WXHWHBSTDWIBLO-BKUYFWCQSA-N 428.492 4.081 10 40 IICB Cc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1[N+](=O)[O-] 408859427 UFVGVORJDFOZNL-YRNVUSSQSA-N 436.276 4.041 10 40 IICB N=C1/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N=C2SC(C(F)(F)F)=NN12 2298324 LITZADACZDOWJG-GDAHVAROSA-N 430.411 4.447 10 40 IICB CCc1ccc(S(=O)(=O)Nc2cc(Sc3ncn[nH]3)c(O)c3ccccc23)cc1 2685380 QDGHREVQMWQVBQ-UHFFFAOYSA-N 426.523 4.178 10 40 IICB CCCCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc1 3769525 OAHKYJHFXCNIMK-XMHGGMMESA-N 442.562 4.420 10 40 IICB CCn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1ccc(N2CCOCC2)cc1 9635257 SHPGUYDPBZKTAL-UHFFFAOYSA-N 436.581 4.446 10 40 IICB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1 17050919 KTNXBBSIRWNUCU-SANMLTNESA-N 449.620 4.139 10 40 IICB COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(SC)SC4=NC3=O)c2C)cc1 33396080 SIXYGUMXIVNVHF-QNMDCZIWSA-N 425.539 4.042 10 40 IICB Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 106953494 UYQOYAFBZJZELV-JMIUGGIZSA-N 449.919 4.216 10 40 IICB COc1ccc(N2C(=O)/C(=C\c3ccc(Sc4ccccc4)o3)C(=O)NC2=S)cc1 6645248 MOWLUPGRECSTBR-AQTBWJFISA-N 436.514 4.271 10 40 IICB O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1C(=O)c1cccc([N+](=O)[O-])c1 13475935 NZQHZFZUEIIWMO-ZSOIEALJSA-N 449.307 4.399 10 40 IICB COc1ccc(N2CCN(Cc3cc(=O)oc4cc(-c5ccccc5)c(O)cc34)CC2)cc1 54105951 HXRUWPWCBPRHEV-UHFFFAOYSA-N 442.515 4.496 10 40 IICB aggregator,biogenic CN(C)c1ccc(/C=C/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1 409234971 BNQRZMVGXACBTR-CNVJIJIESA-N 425.485 4.123 10 40 IICB CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OC(C)=O 409351101 ZNAZOTXVEFRUQD-UNOMPAQXSA-N 429.519 4.425 10 40 IICB CN1C(=O)/C(=C\c2ccc(-c3ccc(I)cc3)o2)SC1=S 15011991 PWBOKXMTBLQPBL-MDWZMJQESA-N 427.288 4.382 10 40 IICB COCCN1C(=O)/C(=C\c2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)SC1=S 24926075 XURUCHCVMWGNRZ-LICLKQGHSA-N 447.607 4.292 10 40 IICB CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(C)cc2)S1 32111787 SSHYLKKCVYEJFF-VCHYOVAHSA-N 445.338 4.443 10 40 IICB Cn1c(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc2ccccc21 8821934 URGSPBDBKCNHGP-GZTJUZNOSA-N 427.938 4.378 10 40 IICB CCOc1ccc(S(=O)(=O)Nc2cc(SCCC(=O)O)c(O)c3ccccc23)cc1 8870768 BJESOVIMAVAUGO-UHFFFAOYSA-N 447.534 4.312 10 40 IICB CCCN1C(=O)/C(=C\c2cc(I)c(O)c(OCC)c2)SC1=S 9234117 LTMYJJZIMMQTNU-XYOKQWHBSA-N 449.335 4.007 10 40 IICB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1 409049650 XOIWIKVCXHPEAE-UHFFFAOYSA-N 441.723 4.140 10 40 IICB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCC3)c(F)c2)C1=O)Nc1cccc(F)c1 409229054 JABFVVZXUGPKRR-YBFXNURJSA-N 443.475 4.240 10 40 IICB Cc1ccc(C2=NN[C@@]3(S2)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc23)cc1 22118504 BCEZMMOINBXGPC-QHCPKHFHSA-N 430.489 4.301 10 40 IICB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)c1C 33574879 IJECVXUQDNKLTQ-UJNQTBGZSA-N 427.917 4.395 10 40 IICB S=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(Br)c(Cl)c1 225420644 IEJPWJMZNVUSGB-UHFFFAOYSA-N 440.794 4.426 10 40 IICB COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCC(=O)Nc1ccccc1C(C)C 409343469 GXOGIQAXCYGMCQ-YBFXNURJSA-N 442.562 4.325 10 40 IICB CC[C@H](C)n1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21 2371559 MUWYVJYOMIBAQC-XKYMITNMSA-N 431.448 4.007 10 40 IICB CCOC(=O)[C@@H]1[C@@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 9424294 QFWYLEYRXUFTBP-ZRBLBEILSA-N 439.467 4.276 10 40 IICB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2ccccc2F)C1=O 14133097 SAFJSHPCWBPLIF-XMHGGMMESA-N 430.435 4.380 10 40 IICB COc1ccc(N2CCN(C(=O)c3sc(Nc4ccc(F)cc4)nc3C)CC2)cc1 22245998 ZRGZZYDXLAYKGQ-UHFFFAOYSA-N 426.517 4.305 10 40 IICB CC1=C(c2nc(-c3ccc(Cl)cc3)no2)[C@@H](c2ccc(N(C)C)cc2)NC(=S)N1 24834107 ZGFYQGRLAUBUPC-GOSISDBHSA-N 425.945 4.406 10 40 IICB COc1ccc(N/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C)c([N+](=O)[O-])c1 100507592 IYXJUEVSNLRCKA-GDNBJRDFSA-N 431.246 4.084 10 40 IICB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCSCc1nc[nH]c1C 103918652 KVNRSXBWOWQXHQ-PGMHBOJBSA-N 427.574 4.026 10 40 IICB Cc1nnc(NS(=O)(=O)c2ccc(/N=N\c3ccc(O)c4ncccc34)cc2)s1 104090595 SFILKVPTXQDZEH-DQRAZIAOSA-N 426.483 4.317 10 40 IICB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)C2=O)c1 208198088 OQCNMVRPTBMUFV-WMRWHDLOSA-N 447.535 4.474 10 40 IICB O=C(COc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1)N1CCCC1 408572718 HVMACIPXJMAJQR-ZHZULCJRSA-N 438.574 4.089 10 40 IICB COc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1[N+](=O)[O-] 409044685 OSQCXNAVPUZITN-WEVVVXLNSA-N 427.285 4.105 10 40 IICB CCOc1ccccc1N1C(=O)N=C(O)/C(=C\c2cc(Br)ccc2OC)C1=O 2979287 JWAWJOKATKFVDL-SDNWHVSQSA-N 445.269 4.363 10 40 IICB Oc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccncc2)c(O)c1 10215384 DNRVDJJKJFVXHV-GHTZIAJQSA-N 438.281 4.498 10 40 IICB COc1ccc(N2CCN([C@@H](CNC(=O)OCc3ccccc3)c3ccco3)CC2)cc1 56946280 UKRVAPHXMPOASZ-QHCPKHFHSA-N 435.524 4.078 10 40 IICB O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C\c1c(-c2ccccc2)nc2ccccn12)CC3 96891393 FRLMUFRGTAXXIB-ICFOKQHNSA-N 434.455 4.354 10 40 IICB CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccc(Cl)cc2)cc1 137670279 UPKRAJVVJLFKFB-RJGXRXQPSA-N 447.922 4.457 10 40 IICB COc1ccc(N2C(=O)/C(=C\c3cccc(Oc4ccccc4)c3)C(=O)NC2=S)cc1 408765034 YURZGYWOERDTSM-QNGOZBTKSA-N 430.485 4.319 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OC 408782928 IWBSDKRBRNMNJC-CXUHLZMHSA-N 428.872 4.031 10 40 IICB O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccccc1C(=O)O 1186667 AQDMNHOXKAVQIH-WJDWOHSUSA-N 446.937 4.268 10 40 IICB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccccc1F 2076517 AWBAHRDHMLSJKP-FOWTUZBSSA-N 437.471 4.204 10 40 IICB CCN1C(=O)N=C(O)/C(=C\c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)C1=O 5947677 YTTWVDGKMOKSOR-MHWRWJLKSA-N 430.302 4.487 10 40 IICB CCCCOC(=O)CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 9030100 SNPJFZVHTOGJLV-KAMYIIQDSA-N 428.373 4.384 10 40 IICB CCOc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N=C2O)cc(Br)c1O 38168166 SCIAQYJWBIFAJR-JYRVWZFOSA-N 447.310 4.225 10 40 IICB COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1cccc(OC)c1O 59959327 QGKIHLQQPLMFRH-YBEGLDIGSA-N 444.281 4.041 10 40 IICB CC1(C)CC(N/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)CC(C)(C)N1 100098623 WQEQRIVUPXKHSV-LTGZKZEYSA-N 447.539 4.128 10 40 IICB CC[C@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C(=O)OC(C)C)C1 102345575 OUQDCSTZHCGKIT-LYHUEXMXSA-N 431.554 4.290 10 40 IICB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccc(O)cc1 260922565 PXIPAMRCSLBGCL-AGILITTLSA-N 448.592 4.346 10 40 IICB COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2Cl)C1=O 409106128 MLYHPRJJMPIUOO-DHZHZOJOSA-N 425.655 4.322 10 40 IICB COc1ccc(C[C@H]2SC(=S)N(CCc3ccccc3)C2=O)cc1Br 409146396 SPFQWJNQCWLCJG-QGZVFWFLSA-N 436.396 4.472 10 40 IICB CN(C)c1ccc(/C=C2/SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc1 1441458 JKBBJCCRWAEVGM-XSFVSMFZSA-N 426.973 4.199 10 40 IICB COc1ccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC=C(C)C5=C[C@H]34)C[C@H]2C)cc1 61997004 QCFMNECCTNFCRH-CZNRKLIOSA-N 436.596 4.440 10 40 IICB biogenic Cc1cccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1 408534877 MTNSZCRLWPNQDM-QNGOZBTKSA-N 440.455 4.189 10 40 IICB COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 409021343 CJGDRWWYDUMLDZ-YBEGLDIGSA-N 443.883 4.243 10 40 IICB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1 409056331 LNMOGSSEKCCEOV-UHFFFAOYSA-N 441.723 4.140 10 40 IICB COc1cccc(-n2c(C)cc(C(=O)N(C)CC(=O)Nc3ccccc3Cl)c2C)c1 29981762 WTRCLIYBPQXKNI-UHFFFAOYSA-N 425.916 4.467 10 40 IICB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(O)cc2)c1C 223055331 FQQCGNQWTDUBLE-XZOQPEGZSA-N 436.581 4.204 10 40 IICB COc1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 35349264 FNINROSEHUYVGR-VWLOTQADSA-N 429.564 4.291 10 40 IICB COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(Br)cc1 59435783 SZNAQLORODFKDX-UNOMPAQXSA-N 442.309 4.331 10 40 IICB Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 106694385 ATDGWHUTRTYRNQ-ODLFYWEKSA-N 426.498 4.317 10 40 IICB CCn1c(=O)sc2cc(S(=O)(=O)N[C@H](C)c3ccc(N4CCCCC4)cc3)ccc21 225697180 STWVOFFNASEFAD-MRXNPFEDSA-N 445.610 4.113 10 40 IICB CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(C)=O 409330136 JHXPYZCZLMMFQS-WQRHYEAKSA-N 444.490 4.325 10 40 IICB Cc1cc(/C=C2\SC(=N)NC2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 4076875 KCBOLMMDUKXYFN-ZDLGFXPLSA-N 435.465 4.328 10 40 IICB O=C(CC1(c2ccccc2)C(=O)c2ccccc2C1=O)OC[C@@H]1CCCN2CCCC[C@H]12 8917977 BMCUFBYPLYBZRH-WMZHIEFXSA-N 431.532 4.201 10 40 IICB biogenic COc1ccc(N2CCN(c3nc(C)c4c(n3)C[C@@H](c3ccccc3F)CC4=O)CC2)cc1 10156594 CNRAGDRLHXFYIO-GOSISDBHSA-N 446.526 4.172 10 40 IICB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(N4CCCC4)cc3)cc2)cc1 13669713 HOHACDUYPFKOOC-UHFFFAOYSA-N 449.576 4.326 10 40 IICB COc1ccc(/C=C2\C(=N)N3N=C(Cc4ccc(Cl)cc4)SC3=NC2=O)cc1OC 33775709 YMGHRZFWBCJQMV-DALCUZTNSA-N 440.912 4.219 10 40 IICB C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S 62825019 OZHAEYSYUMWGOQ-WPIAHNSYSA-N 438.870 4.183 10 40 IICB Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)nc1 223233924 BBYVONVNJHRIDB-DNQXCXABSA-N 448.640 4.117 10 40 IICB O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccccc1C(=O)O 2454569 BMPHXHKWICNJIR-PTNGSMBKSA-N 432.548 4.066 10 40 IICB Cc1cc(C(=O)Cn2cnc3ccsc3c2=O)c(C)n1-c1ccc(OC(F)F)cc1 9672426 LOMFGHHYEGERCQ-UHFFFAOYSA-N 429.448 4.350 10 40 IICB CC(/C=C1\SC(=S)N(c2cc(C(=O)O)cc(C(=O)O)c2)C1=O)=C\c1ccccc1 16661211 UNTFIFMQLBMFIN-QWWHEIEGSA-N 425.487 4.435 10 40 IICB COc1ccc2nc(/C=C3\SC(=S)N([C@@H](C(=O)O)c4ccccc4)C3=O)ccc2c1 54360850 NCLSXSRWTVUNMO-XLXASQRYSA-N 436.514 4.271 10 40 IICB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 58883953 NHWQCGIWQMCXFQ-MFOYZWKCSA-N 443.883 4.243 10 40 IICB COc1ccc([C@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc1O 96116152 IPFIBQOGDMTRHP-CQSZACIVSA-N 446.411 4.026 10 40 IICB biogenic CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3OC)C(=O)NC2=S)cc1 409220931 HWXCVWJCEUGAAP-RCCKNPSSSA-N 449.576 4.079 10 40 IICB CN(C)c1ccc(CNC(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 40139484 TYEYKWLGVMCGTK-HSZRJFAPSA-N 431.515 4.482 10 40 IICB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccc(Cn2cncn2)cc1 100422636 IITSXHCSFMFIAQ-QJOMJCCJSA-N 430.512 4.224 10 40 IICB Cc1cc(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1N(C)S(C)(=O)=O 260503979 AWRIGEXSHKAUHL-IEBWSBKVSA-N 443.613 4.118 10 40 IICB CCCOc1c(Br)cc(/C=C2\SC(=S)NC2=O)cc1Br 408527296 ABVMQTWUJCVWNM-POHAHGRESA-N 437.178 4.489 10 40 IICB COc1ccc(N2CCN(C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)CC2)cc1 408925481 UAQLUAFCODHWDD-NCELDCMTSA-N 443.503 4.493 10 40 IICB CCCOc1ccc(/C=C2\C(=O)N(Cc3ccco3)C(C)=C2C(=O)OC)cc1OCC 408978478 MHCDLPQLGXHPIP-UYRXBGFRSA-N 425.481 4.340 10 40 IICB O=C(NN1C(=O)c2ccccc2N[C@@H]1c1ccccc1O)c1ccc(Br)cc1 3641538 BSKMKTIBOYFZLB-IBGZPJMESA-N 438.281 4.066 10 40 IICB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)N1CCC(Cc2ccccc2)CC1 8820270 SKFILEZVEYEEKL-CAPFRKAQSA-N 440.590 4.352 10 40 IICB COc1ccc(N2CCN(C(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)CC2)cc1 9713665 ODSOINFTMORQFH-VWLOTQADSA-N 442.515 4.112 10 40 IICB Cc1c(CN2C[C@@H](c3ccccn3)[C@@]3(CCCCC(=O)N3)C2)ccc(N2CCCC2)c1C 19577408 FBLLDCPFIOCFPH-WNCULLNHSA-N 432.612 4.327 10 40 IICB CC(C)OC(=O)CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2)SC1=S 1276883 CEYJAYNBRBZFFY-UNOMPAQXSA-N 427.547 4.418 10 40 IICB CCCCN1C(=O)/C(=C/c2c(Oc3ccccc3)nc3ccccn3c2=O)SC1=S 2201931 YXLUVIZZDTXNOO-VKAVYKQESA-N 437.546 4.488 10 40 IICB CO[C@]12C=C[C@H](CC1)[C@H]1C(=O)c3c(OC(=O)OCc4ccccc4)ccc(O)c3C(=O)[C@@H]12 8445492 RHXQREPTELGYAS-LNICELHZSA-N 434.444 4.084 10 40 IICB CCCCCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC 408537662 GRQDBWHNBVCNIG-XMHGGMMESA-N 440.471 4.460 10 40 IICB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3ccc(C(C)=O)cc3)o2)C1=O 409239208 CKPLREIDGJMSSE-XMHGGMMESA-N 444.443 4.214 10 40 IICB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)c(C)n1-c1ccccc1 8897534 IWGKOHRECHRLNZ-MHZLTWQESA-N 441.531 4.233 10 40 IICB COc1cccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c1OCc1ccc(Cl)cc1 9310501 BWRPUHWCCBPODB-CXUHLZMHSA-N 449.937 4.213 10 40 IICB CCOc1ccc(Br)cc1S(=O)(=O)N(CC)Cc1ccc(N(C)C)cc1 21871253 KLWNZAYZOZHUKM-UHFFFAOYSA-N 441.391 4.125 10 40 IICB CCOC(=O)CCN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 28048189 ZQQSOKUZZXONTN-RGEXLXHISA-N 427.547 4.420 10 40 IICB Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)nc1 223316049 AKZBQRUGYJKXHY-IGKWTDBASA-N 447.608 4.344 10 40 IICB CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2)N2CCN(c3ccc(F)cc3)CC2)cc1 16914574 VGIYBODFFUQMBJ-AREMUKBSSA-N 446.570 4.185 10 40 IICB N=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N=C2SC(C(F)(F)F)=NN12 20149774 FWMQRZSYGKTTBD-YFUFRYBISA-N 435.343 4.036 10 40 IICB Cn1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c2ccccc21 34890794 ZEDQTTUFTKCJJC-LICLKQGHSA-N 427.938 4.378 10 40 IICB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ncccc2C)c1C 223061623 DUMFQMFCDCDSSU-VXKWHMMOSA-N 435.597 4.202 10 40 IICB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C)c1C 223686982 DECDABOBUIRWRL-DNQXCXABSA-N 448.592 4.333 10 40 IICB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)o2)cc1 408782165 IEQUJXJCWHRGDF-DEDYPNTBSA-N 444.443 4.016 10 40 IICB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 408960243 KBZVZPGAHQIEAH-MOSHPQCFSA-N 439.512 4.409 10 40 IICB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OC(C)C 409242401 UQPNEQCQLITCRP-CXUHLZMHSA-N 444.940 4.276 10 40 IICB COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)N=C2O)cc1 2374907 NZHBUYHJVBOUPZ-HMAPJEAMSA-N 429.476 4.282 10 40 IICB CC(=O)Nc1ccc(N2C(=O)/C(=C/c3ccccc3[N+](=O)[O-])N=C2c2ccccc2)cc1 8856009 FWODMTMTPWFRET-QNGOZBTKSA-N 426.432 4.388 10 40 IICB O=C(COC(=O)c1c(F)cccc1Cl)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9666515 WNDXJBLPZNDREZ-UHFFFAOYSA-N 437.810 4.050 10 40 IICB CN1C(=O)/C(=C/c2ccc(OC(=O)c3ccccc3)c(Br)c2)SC1=S 12629661 NWYHLNKLDWYLBE-GDNBJRDFSA-N 434.336 4.499 10 40 IICB COc1ccc(N2CCN([C@@H](CNC(=O)c3ccc(Cl)cc3)c3ccco3)CC2)cc1 56946206 IJNWOJZBCXTBIC-QFIPXVFZSA-N 439.943 4.235 10 40 IICB Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)c1 223265694 ZGZPSWUFQJZAET-RPWUZVMVSA-N 433.625 4.332 10 40 IICB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCC(=O)O)c(Br)c1 408901839 HSKHSFCQUBUBPT-VGOFMYFVSA-N 449.688 4.372 10 40 IICB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccccc1OCc1ccc(F)cc1 408913962 WKEBKEBMCJMQRB-UDWIEESQSA-N 434.398 4.210 10 40 IICB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(Cc2ccc(F)cc2)c2ccccc12 409198423 AIPAAXMQOMJGRZ-BKUYFWCQSA-N 431.467 4.233 10 40 IICB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 409353424 KPKRKZOIYANNNM-DEDYPNTBSA-N 437.477 4.114 10 40 IICB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](c2ccc(N(CC)CC)cc2O)N3)C1 4122985 UNXTYMGJBLNXLI-IBGZPJMESA-N 444.557 4.243 10 40 IICB COCCn1c(-c2ccc(F)cc2)cnc1SCC(=O)N1c2ccccc2C[C@@H]1C 13509918 CYFZVWIHOBSJJG-INIZCTEOSA-N 425.529 4.406 10 40 IICB CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c(OC)c1 59135797 ASICCYJPJSNDGS-FOWTUZBSSA-N 427.501 4.352 10 40 IICB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)c2C)nc1 409236095 QZDGPYKCYOUVKJ-WOJGMQOQSA-N 448.910 4.426 10 40 IICB COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OC(C)C 409347727 NFBNATXLKSZPDT-YBEGLDIGSA-N 434.564 4.090 10 40 IICB O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccncc2)SC1=S 409367798 LBGPYKZXLJVWFD-NTUHNPAUSA-N 425.322 4.326 10 40 IICB CCN(CC)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc1 33247293 NIPRUXCQLDKAPV-XMHGGMMESA-N 441.578 4.088 10 40 IICB COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2cc(C)cc(C)c2)C1=O 409247614 DQZBSJLWPPRZGM-KGENOOAVSA-N 449.576 4.134 10 40 IICB O=C1C(=Cc2ccccc2[N+](=O)[O-])C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 3189436 CAUSSEMYILLVNB-UHFFFAOYSA-N 429.457 4.343 10 40 IICB CC[C@@H](C)c1ccc(OCCOc2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc2)cc1 9704308 XRTKJDKKVIEROP-QGZVFWFLSA-N 436.508 4.092 10 40 IICB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCC 408981417 AXQAPYDYEAQNIN-BOPFTXTBSA-N 442.899 4.366 10 40 IICB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1OCC 409064398 CSMOWTOJIYXGAN-RVDMUPIBSA-N 444.940 4.277 10 40 IICB CCc1cccc2c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cn(CC(N)=O)c12 409146226 KEJDNJNZOPMWSM-MOSHPQCFSA-N 449.601 4.133 10 40 IICB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(CCc4ccccc4)C3=O)c2C)cc1 2389820 MURVGUYEDGDJFW-KQWNVCNZSA-N 427.504 4.107 10 40 IICB COc1ccc(N2CCN([C@H](c3ccc(C)cc3)c3nnnn3C3CCCC3)CC2)cc1 13503849 DSAOKNSGEAPMRN-XMMPIXPASA-N 432.572 4.017 10 40 IICB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)ccc3OC)C2=O)cc1 408896686 HJHIDHVBPALPQR-AQTBWJFISA-N 428.872 4.194 10 40 IICB CC(C)Oc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1 1184319 WCWFJGINEIMFHI-BOPFTXTBSA-N 445.338 4.068 10 40 IICB CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=N/N1CCN(c2ccccc2OC)CC1 2228468 UCSMNUVJVRWIKP-OCEACIFDSA-N 437.500 4.183 10 40 IICB COc1cc(N2COc3c(Cl)cc4c(C)c(C)c(=O)oc4c3C2)cc(OC)c1OC 8997078 IGZSIKJMDMGKNX-UHFFFAOYSA-N 431.872 4.446 10 40 IICB COc1ccc(/C=C2/C(=N)N3N=C(Cc4ccc(Cl)cc4)SC3=NC2=O)cc1OC 9303598 YMGHRZFWBCJQMV-POCCGPMPSA-N 440.912 4.219 10 40 IICB CC(C)c1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](CC(=O)O)C(=O)O)C3=O)o2)cc1 9884861 VPIXSUOGJBWOPH-GFHWABCWSA-N 445.518 4.199 10 40 IICB CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(-c2ccc3c(c2)C(=O)OC3)o1 12412764 DHGNXZCOIFOWLY-YBFXNURJSA-N 428.400 4.121 10 40 IICB O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1CC(=O)N1CCCC[C@H]1c1cccnc1 33542905 BPOLYMDTYKKTPM-LPGQDOADSA-N 441.553 4.176 10 40 IICB CCOC(=O)C1=CN(c2ccc(C)cc2)c2cc(N3CCCCC3)c(F)cc2S1(=O)=O 67340731 NGKVMTUOEQEMHF-UHFFFAOYSA-N 444.528 4.454 10 40 IICB COC(=O)c1[nH]c2ccccc2c1/C=C1\SC(=S)N(c2cccc(C(=O)O)c2)C1=O 102723728 SSMBVHOTILMQPB-YBEGLDIGSA-N 438.486 4.059 10 40 IICB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(N4CCCCC4)c(F)c3)C(=O)NC2=S)c1 409249731 VKZPRCMKJFPKJJ-QGOAFFKASA-N 437.540 4.264 10 40 IICB C[C@@H](C(=O)Nc1ccc2oc(=O)ccc2c1)N1C(=O)/C(=C/c2cccs2)SC1=S 9348711 JHZHTICGCAJFBX-OKHBPPCESA-N 442.543 4.083 10 40 IICB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccccc1OCc1ccccc1 9846611 GHEWFEXLRFYMMF-JHRFGPFWSA-N 433.504 4.117 10 40 IICB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)O 16915617 GLKCANPMKNFNKV-WOJGMQOQSA-N 429.519 4.263 10 40 IICB COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)OC(C)C 408600080 TXAJDELBVNKNAZ-UNOMPAQXSA-N 443.546 4.431 10 40 IICB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OCC 408800983 QUWCNYIBIYLGRN-RVDMUPIBSA-N 428.872 4.112 10 40 IICB CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(OC)c1 409250165 PYMWJCNOJQCJLU-FOWTUZBSSA-N 443.956 4.026 10 40 IICB CN(C)c1ccc(/C=C2\SC(N3CCN(c4ccc(Cl)cc4)CC3)=NC2=O)cc1 2293699 ZYBFYKHJPZCCGZ-HKWRFOASSA-N 426.973 4.199 10 40 IICB CCOc1cc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)ccc1O 3858717 LXPKSCNVLCYNIF-MJJUSULESA-N 426.885 4.112 10 40 IICB Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)NC2=S)c1C 12628345 QNRFBPVWLXRJCH-PDGQHHTCSA-N 446.484 4.093 10 40 IICB Cc1ccc(OCCOCCOc2cccc(/C=C3/SC(=S)N(C)C3=O)c2)cc1 13896510 AJDBFUVRFSRPAU-HMMYKYKNSA-N 429.563 4.300 10 40 IICB COc1cc(N2N=C(C)/C(=C/NNc3ccc(Br)cc3)C2=O)ccc1Cl 408526195 AWYDAWOIOXNCED-GDNBJRDFSA-N 435.709 4.334 10 40 IICB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1Br 408819610 YABZFYIHNJNNDE-XYOKQWHBSA-N 449.688 4.086 10 40 IICB Cn1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21 408853064 KZLNHUFJJMSZNZ-UKTHLTGXSA-N 430.316 4.316 10 40 IICB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 409232324 NXADUJPDNUZHRY-LPYMAVHISA-N 428.492 4.279 10 40 IICB Cc1ccccc1N1C(=O)/C(=C/c2c[nH]c3ccc(Br)cc23)C(=O)NC1=S 409240142 OSKAJSKRFPKMPM-OVCLIPMQSA-N 440.322 4.070 10 40 IICB CN(C)c1ccc(CNC(=O)CSc2ncc(-c3ccc(Br)cc3)[nH]2)cc1 8725020 OUYNSMORDJJOLQ-UHFFFAOYSA-N 445.386 4.314 10 40 IICB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4O)[C@@H]3C2=O)cc1 18059951 PWGSGXKGZUSYKQ-HJOGWXRNSA-N 444.487 4.232 10 40 IICB CC[C@H](C)Oc1c(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cccc1OC 408897909 JOESTPAUZSUQBC-VLURKWGBSA-N 428.872 4.192 10 40 IICB CCOc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)=O)c(OC)c3)SC2=S)cc1 409328967 BFBYMRKHGMMNDO-UNOMPAQXSA-N 429.519 4.425 10 40 IICB CC(C)OC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S 1276833 QSXABLIAQBVNNG-UNOMPAQXSA-N 427.547 4.418 10 40 IICB CCCn1c(-c2ccc(F)cc2)cnc1SCC(=O)NCc1ccc2c(c1)OCO2 1355552 DUBKIVRQFBRAPG-UHFFFAOYSA-N 427.501 4.236 10 40 IICB COc1ccc(N2C(=O)C(=Cc3ccsc3)C(=O)N(c3ccc(OC)cc3)C2=O)cc1 2532791 KGQURKNNTJPMLJ-UHFFFAOYSA-N 434.473 4.349 10 40 IICB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1ccccc1Br 9187964 DZUGWPJNKAUJDA-AQTBWJFISA-N 446.345 4.381 10 40 IICB COc1ccc(N2CCN([C@@H](c3ccc(Cl)cc3)c3nnnn3C(C)(C)C)CC2)cc1 13503972 CUZJXIODKXJZJY-NRFANRHFSA-N 440.979 4.002 10 40 IICB CCCCCN1C(=O)[C@@H](C(=O)OCC)[C@H](c2ccc(N(C)C)cc2)n2c1nc1ccccc12 20675728 NTOZGQXVYHFZHR-GOTSBHOMSA-N 448.567 4.408 10 40 IICB Oc1cc2c(cc1CN1CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)OCO2 22920383 KQSZGSNWGAFUCX-UHFFFAOYSA-N 438.474 4.306 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccccc4F)c3)C2=O)cc1 408935479 HHGRFZMHYUNRCC-STZFKDTASA-N 430.435 4.380 10 40 IICB Cc1ccc(S(=O)(=O)Oc2ccccc2[C@@H]2NN=C(c3ccccc3O)S2)cc1 3162207 DNEUBYYXTZBHPY-OAQYLSRUSA-N 426.519 4.165 10 40 IICB O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccn1-c1ccc(O)cc1 32127488 KWMDLLOGCDWQMF-YBEGLDIGSA-N 442.258 4.156 10 40 IICB COc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2ccccc2)C1=O 40939919 JLCCNPBBBWIDLU-XNTDXEJSSA-N 449.351 4.004 10 40 IICB CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C/NC(=O)Nc1ccc(F)cc1 95471087 LZRZKTCFMSVOKI-MHWRWJLKSA-N 431.265 4.325 10 40 IICB Cc1cc(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)c2nc[nH]n2)c(C)n1-c1ccccn1 97108889 WPYAWRVFEBKODI-LJQANCHMSA-N 440.429 4.145 10 40 IICB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 223794486 HSSCAWDEEGNVBG-UHFFFAOYSA-N 429.881 4.158 10 40 IICB Cc1ccc(COc2c(Cl)cc(/C=C3\C(=O)NC(=S)N(C)C3=O)cc2Cl)cc1 408914604 RDLAQFJDTYSHJC-VGOFMYFVSA-N 435.332 4.137 10 40 IICB NC(=O)COc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O 409345048 JXGHXTPLQZQGBQ-CHHVJCJISA-N 439.345 4.263 10 40 IICB O=C1c2ccc3c(=O)c4ccccc4[nH]c3c2C(=O)c2ccc3c(=O)c4ccccc4[nH]c3c21 4552165 KLCBMAACUWYFIZ-UHFFFAOYSA-N 442.430 4.451 10 40 IICB in-vitro O=C(Oc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1)c1cccs1 27062004 PPJKERXDELZNHS-QJISPJEISA-N 431.560 4.348 10 40 IICB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccccc1Cl 59194085 DUNBDAKMMHYZPQ-CPNJWEJPSA-N 434.879 4.389 10 40 IICB COC(=O)C[C@@H](c1ccsc1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96222332 UTWPTPMKMRQBNF-AWEZNQCLSA-N 438.457 4.333 10 40 IICB biogenic COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Cl 409246874 KKYYJNLFABXRTH-NTUHNPAUSA-N 440.830 4.199 10 40 IICB O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1CC(=O)N1CCCC[C@@H]1c1cccnc1 8995765 BPOLYMDTYKKTPM-GEBKJHSDSA-N 441.553 4.176 10 40 IICB CC[C@H](C)c1ccccc1OCCn1c(C)c(C=C2C(=O)NC(=O)NC2=O)c2ccccc21 9246768 YWASZOPHXWIVJM-INIZCTEOSA-N 445.519 4.292 10 40 IICB O=C(CSc1ncnc2ccccc12)Nc1cccc2c1C(=O)c1ccccc1C2=O 9580995 XUGWRAHMOJNELH-UHFFFAOYSA-N 425.469 4.136 10 40 IICB Cc1oc2ccc(O)c(CN3CCN(C)CC3)c2c1C(=O)Nc1cccc(Cl)c1C 19794022 XDQRGNXJRAWSSL-UHFFFAOYSA-N 427.932 4.408 10 40 IICB Cc1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)ccc1NC(=O)c1ccc(Cl)cc1 408624636 QZCBITKQKAAHAD-UHFFFAOYSA-N 444.896 4.430 10 40 IICB CCN1C(=O)C(=Cc2cn(CCOc3ccccc3)c3ccccc23)C(=O)N(CC)C1=S 409212125 PEVYDEZIEDYUOO-UHFFFAOYSA-N 447.560 4.099 10 40 IICB O=C(COC(=O)/C=C/c1ccc(Cl)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9390913 BDUICEDTTJVYMY-KPKJPENVSA-N 445.858 4.311 10 40 IICB CN1C(=O)/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C(=O)NC1=S 32193966 KELHYHILXBAFNJ-FYJGNVAPSA-N 425.513 4.099 10 40 IICB CCCN1C(=O)/C(=C/c2nc3ccccc3c(=O)n2CC)c2cc(Br)ccc21 33414324 JJDPQUKIGIAZRZ-GHRIWEEISA-N 438.325 4.476 10 40 IICB COc1ccc(N2CCN(C(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)CC2)cc1 41019133 CNGWBVJJOQSQBY-UHFFFAOYSA-N 425.916 4.285 10 40 IICB Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1N(C)S(C)(=O)=O 260503976 AWRIGEXSHKAUHL-HKUYNNGSSA-N 443.613 4.118 10 40 IICB COc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)O)cc3)SC2=S)cc1Cl 409342084 BTYOIWOQDNQYTE-LZYBPNLTSA-N 435.910 4.218 10 40 IICB CC[C@@H](C)n1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21 2371555 MUWYVJYOMIBAQC-YFEUJDIGSA-N 431.448 4.007 10 40 IICB COC(=O)c1[nH]c2ccccc2c1/C=C1/SC(=S)N(c2ccc(C(=O)O)cc2)C1=O 13688341 ZYIJZYQMDHLRTD-MHWRWJLKSA-N 438.486 4.059 10 40 IICB COC(=O)c1cc(Cl)c(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1OC 48324016 OTEYOHHOEHEOLQ-OAHLLOKOSA-N 448.903 4.054 10 40 IICB COC(=O)C[C@@H](c1ccccc1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 96220964 TVYLBGQRRQGJFE-INIZCTEOSA-N 432.428 4.272 10 40 IICB biogenic Cc1ccc(N2C(=O)C[C@H](N3C(=O)/C(=C/c4ccc(Cl)cc4)SC3=S)C2=O)cc1 100143765 LQYKGZNJNUAIKR-IUPCOXQMSA-N 442.949 4.182 10 40 IICB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OCc2ccccc2)C1=O 408868688 AUDBZRMFKTZSLZ-PGMHBOJBSA-N 426.472 4.494 10 40 IICB COCCN1C(=O)/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)N(c2ccccc2)C1=O 409019366 ISWROQRTSYDWMN-PGMHBOJBSA-N 449.894 4.156 10 40 IICB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(O)c3)C2=O)c1 8819157 ZPWDPFWLEBNRCD-PDGQHHTCSA-N 428.535 4.021 10 40 IICB O=C1N=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)S/C1=C\c1ccccc1Cl 9363530 FAVBBYSXLBXXLD-AQTBWJFISA-N 428.901 4.041 10 40 IICB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCOc1cccc(OC)c1 26712347 JCVHOZVJHOVZRV-MOSHPQCFSA-N 445.562 4.383 10 40 IICB CCCCOc1cc(C)c(C)cc1S(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 31903906 IANKAXQRGKVVJM-UHFFFAOYSA-N 432.586 4.002 10 40 IICB Cc1ccc(C)c(-n2c(C)cc(/C=C3/C(=N)N4N=C(N5CCCC5)SC4=NC3=O)c2C)c1 41085153 RBDUYYSMYXCPBK-QGUUBAPPSA-N 446.580 4.383 10 40 IICB Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1C 223620679 CNCAMGWHUMTWCA-UPVQGACJSA-N 434.609 4.461 10 40 IICB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1C1CCCCC1 408853301 NEGSBCPJASGEPB-YBFXNURJSA-N 435.480 4.005 10 40 IICB CCOC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S 1239058 YZWSXCZHKCEIFU-CCNLRRDASA-N 427.547 4.418 10 40 IICB O=C1C[C@@H](N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)C(=O)N1c1ccc(F)cc1 2204274 FZDZVXDSEUWJEK-AVIKPIRVSA-N 446.912 4.012 10 40 IICB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c1C 9265124 YUQSQDXOHWLRES-CIAFOILYSA-N 447.466 4.333 10 40 IICB Cc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1ccccc1F 9291308 ZAFDDZDGKWXIIV-VXKHAPKQSA-N 435.406 4.415 10 40 IICB COC(=O)C1=C(C)N(c2ccc(C(F)(F)F)cc2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 409381137 FRRIJKXGNSKWOX-PDGQHHTCSA-N 445.393 4.369 10 40 IICB Cc1cc(C(=O)COC(=O)C[C@@H]2Sc3ccccc3NC2=O)c(C)n1-c1ccccc1 2627634 WZRPUCDOBQVKPZ-QFIPXVFZSA-N 434.517 4.323 10 40 IICB aggregator CCSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(OC)cc4)c3C)C(=O)N=C2S1 8450657 XTXGHDGFIBUQMB-WBIXSPHCSA-N 439.566 4.433 10 40 IICB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 9140432 RWKCDFSFHRZMCB-KBPBESRZSA-N 439.895 4.062 10 40 IICB O=C(COc1ccc(Cl)cc1Cl)NN1C(=O)/C(=C/c2ccccc2)SC1=S 11565515 MLXUCCFFAJQAEH-NVNXTCNLSA-N 439.345 4.305 10 40 IICB C[C@H](NS(=O)(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C1C2CC3CC(C2)CC1C3 12284757 BZGZVTBXLWFZNF-AHWLFITASA-N 449.572 4.201 10 40 IICB CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)c2C)cc1 223615915 OGODRHLPVZHSEC-RPWUZVMVSA-N 434.609 4.406 10 40 IICB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C)c1C 223650070 VQEFGDIMXJTOEU-RPWUZVMVSA-N 448.592 4.333 10 40 IICB CCN(CC)c1cc2[nH]c(O)nc2cc1N/C=C1\C(=O)N(c2ccc(C)cc2C)N=C1C 408529017 GTJXKEVLUUKUHM-LGMDPLHJSA-N 432.528 4.450 10 40 IICB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(Br)cc1 408584394 PGUMMEWVUWAFEQ-BOPFTXTBSA-N 443.253 4.235 10 40 IICB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)ccc1OC 409107670 SJRXNOCFJPGRSE-FMIVXFBMSA-N 435.263 4.067 10 40 IICB CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccccc4F)C3=O)c2C)cc1 409187651 SWDVCCPRSVTACE-XSFVSMFZSA-N 447.466 4.298 10 40 IICB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(F)cc3)C2=O)c1 8819165 VDIPGOHOKSIJKA-AQTBWJFISA-N 430.526 4.454 10 40 IICB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCOc1ccccc1OC 26676017 QVEGERFJWYKGCL-ZHZULCJRSA-N 445.562 4.383 10 40 IICB C[C@@H](C(=O)N1CCCC[C@@H]1c1cccnc1)N1C(=O)/C(=C\c2ccco2)SC1=S 33583354 JOYYRXNCKHUNDT-RCWQOHCDSA-N 427.551 4.018 10 40 IICB O=C1C(=CNCCc2ccccc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 2236383 GNRMHAMFNZDHBE-UHFFFAOYSA-N 427.529 4.068 10 40 IICB COc1ccc(CCN2C(=O)/C(=C/c3ccccc3[N+](=O)[O-])SC2=S)cc1OC 8821600 OGQSHYHMCBWASX-PDGQHHTCSA-N 430.507 4.056 10 40 IICB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1cccc(C)c1 33657852 GGKYFFFGKCKRII-BKUYFWCQSA-N 444.487 4.053 10 40 IICB Cc1cccnc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C 223315769 TVTGSJXVLPYDJG-PMOQBDJRSA-N 447.608 4.344 10 40 IICB Cc1cc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(C)C)C2=O)ccc1Br 408900810 VHAFKVFEZFYWGP-WJDWOHSUSA-N 443.297 4.211 10 40 IICB COc1ccc(CN2C(=O)[C@H](Cc3cc(OC)c(OC)cc3Cl)SC2=S)cc1 409143424 FBSCYPLAPXYZRP-SFHVURJKSA-N 437.970 4.337 10 40 IICB COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)N=C2O)cc1 2378817 OHDYUYUHJDFJKN-BKUYFWCQSA-N 433.439 4.113 10 40 IICB CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(CC)C(=O)N=C3O)c2C)cc1 5946221 JKKWAAJOZRMAQQ-XSFVSMFZSA-N 437.496 4.373 10 40 IICB O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8870248 SUWYURXZBMCSLG-FRKPEAEDSA-N 441.450 4.213 10 40 IICB COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)O 9233042 MKVMUPCDDYTMOM-VCHYOVAHSA-N 429.519 4.181 10 40 IICB Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1-c1ccc2c(c1)OCCO2 12533862 VWUAOSYZGWBARJ-UHFFFAOYSA-N 438.553 4.158 10 40 IICB CCN1C(=O)C(=Cc2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)C(=O)N(CC)C1=S 223491973 QBWJLIYZFZKSGU-UHFFFAOYSA-N 425.598 4.476 10 40 IICB Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)o2)cc1C(=O)O 408854841 JXLOSTFNEIDOCS-XDHOZWIPSA-N 444.443 4.236 10 40 IICB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2c(OCC)ccc3ccccc23)C1=O 409247157 GPYSKEVFSXUYRN-XDJHFCHBSA-N 430.460 4.304 10 40 IICB CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)NCc2ccco2)cc1 2439843 FYROFDDOQGUHHL-SKBVVQJISA-N 439.600 4.110 10 40 IICB Cc1cc(C(=O)COC(=O)CNC(=O)c2ccco2)c(C)n1-c1cc(Cl)cc(Cl)c1 8780310 UKTYJXCTAMCDKJ-UHFFFAOYSA-N 449.290 4.150 10 40 IICB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OC(=O)c1cccc(C)c1 41078433 XMGZEMTWEMXHLT-JKGLIZDUSA-N 431.448 4.063 10 40 IICB CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c1C 223583866 HZFATXMHDNYRBG-VWNXMTODSA-N 434.609 4.325 10 40 IICB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C 409012158 JAEWIQXBASZMKB-JCMHNJIXSA-N 436.552 4.420 10 40 IICB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(Br)s2)C1=O 409236978 HMQOJPLCVJKMCG-JXMROGBWSA-N 425.691 4.139 10 40 IICB CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C1=O 981162 LCFYVNGMIUSPIA-SMEDBKPVSA-N 441.553 4.148 10 40 IICB Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1 1183448 VYBKTUCFFKTPCF-LDADJPATSA-N 440.546 4.313 10 40 IICB Cc1cc(C)c(S(=O)(=O)Nc2cc(SCC(=O)O)c(O)c3ccccc23)c(C)c1 6133496 ABWNMWCRHJJOHC-UHFFFAOYSA-N 431.535 4.448 10 40 IICB COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cc(C)n(-c2cccc(Br)c2)c1C 8872522 NPGGAKOJVGBFGE-ZDLGFXPLSA-N 429.314 4.159 10 40 IICB COC(=O)[C@@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 9010022 RFAJRKWQTJNEBK-SGNDLWITSA-N 435.479 4.293 10 40 IICB CSc1ccc(CN(C)Cc2c(O)c(C(=O)N3CCOCC3)cc3ccccc23)cc1 32751489 VPNACAAMLRGGSU-UHFFFAOYSA-N 436.577 4.372 10 40 IICB CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C/c1ccc(-c2ccc3c(c2)COC3=O)o1 100147543 TVHZJPKUSFDCDC-RGVLZGJSSA-N 428.400 4.121 10 40 IICB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(Cl)cc1 223617119 UXGADNNKHULRFA-YADHBBJMSA-N 441.000 4.497 10 40 IICB CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)cc21 260925518 UYGMVXZOQAFYJN-RTWAWAEBSA-N 443.016 4.332 10 40 IICB CC(C)(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 408900501 TWMPJUIZSULVNT-SFQUDFHCSA-N 427.298 4.413 10 40 IICB CCc1ccc(N2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)C(C(=O)OC)=C2C)cc1 409253326 FOBLUABZOFZNMG-UNOMPAQXSA-N 437.492 4.152 10 40 IICB O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 408883640 QOKCOHHFJGYVSI-UHFFFAOYSA-N 441.723 4.140 10 40 IICB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(C)cc4)c3)C2=O)cc1 408937178 MXMMJJNXQZEITQ-HAHDFKILSA-N 442.471 4.249 10 40 IICB COc1ccc(CN2C(=O)/C(=C/c3cn(CC(=O)O)c4ccccc34)SC2=S)cc1 409139555 BINUAXBGUVCJJG-GRSHGNNSSA-N 438.530 4.136 10 40 IICB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)c2C)cc1C 409145271 NSCGZTZPDXKVMT-OEAKJJBVSA-N 427.504 4.373 10 40 IICB COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3C)c2C)C1=O 409247865 DEJXFJRGLWFXFA-DEDYPNTBSA-N 442.537 4.262 10 40 IICB Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)cc1 34706783 NNQYKYKVQGOAAH-YHRCQRQKSA-N 440.532 4.465 10 40 IICB COc1cc(/C=C2/SC(=O)NC2=S)ccc1OCC(=O)Nc1ccc(Cl)cc1 96911472 YYXMHQLFSVCZPP-CXUHLZMHSA-N 434.926 4.491 10 40 IICB CCN1C(=O)C(=Cc2cc3c(cc2C)N(CC)C(C)(C)C[C@H]3C)C(=O)N(CC)C1=S 113792254 VPRBVSVJEVMZCH-MRXNPFEDSA-N 427.614 4.486 10 40 IICB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1Cl 409168882 UVIDFPLTYNFWQR-WDGDVPDHSA-N 444.940 4.357 10 40 IICB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 409389922 CXFKTJPKBMPSQG-PXLXIMEGSA-N 442.519 4.453 10 40 IICB CN1C(=O)C(=Cc2cn(Cc3ccc4ccccc4c3)c3ccccc23)C(=O)N(C)C1=S 631986 PCUGDCOYRMVHGT-UHFFFAOYSA-N 439.540 4.442 10 40 IICB CC(=O)NC1=NC(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2F)S1 9434623 OGKWCMGPFHUFQF-MFOYZWKCSA-N 449.301 4.274 10 40 IICB COc1ccc2ccc(O)c(CN3CCN(c4ccc(Cl)cc4[N+](=O)[O-])CC3)c2c1 13099085 GOFJFKHHSPFQNI-UHFFFAOYSA-N 427.888 4.438 10 40 IICB CN1CCCc2cc([C@@H](CNC(=O)COc3ccc(Cl)cc3)N3CCCC3)ccc21 16838196 AXHJCXZEFQMSCR-HSZRJFAPSA-N 427.976 4.055 10 40 IICB COc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 107740787 VJIKUFRJPUECLV-SXGWCWSVSA-N 448.953 4.163 10 40 IICB CC[C@@H](C)OC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc2c1CCCC2 225775183 ZRTARTCKEOUQGK-KAISUZLGSA-N 431.554 4.434 10 40 IICB Cc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1N1CCCC1=O 225839547 BPEKDZYKXRSZSD-GOSISDBHSA-N 438.597 4.006 10 40 IICB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(Br)cc3Cl)C2=O)cc1C 408539877 ZRUOXGUURXDCEB-NTEUORMPSA-N 448.704 4.298 10 40 IICB COc1ccc(CCN2C(=O)/C(=C\c3ccc4c(c3)C[C@H](C)O4)SC2=S)cc1OC 2325421 ONHGQNYKHDSLIU-HADWXUJASA-N 441.574 4.471 10 40 IICB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cccn1-c1cccc(C(F)(F)F)c1 9311845 FAOVNSQURIAIKS-QGOAFFKASA-N 425.366 4.163 10 40 IICB CC(C)c1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](CC(=O)O)C(=O)O)C3=O)o2)cc1 12414302 VPIXSUOGJBWOPH-MBBOSUJBSA-N 445.518 4.199 10 40 IICB CCOc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3C)C(=O)N=C2O)cc([N+](=O)[O-])c1O 38185377 GOVMUTLUPYGYMP-GHXNOFRVSA-N 445.815 4.168 10 40 IICB O=C1NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1ccc(O)c(Cl)c1 408934183 CTHWZYDNQCNQEG-YHYXMXQVSA-N 445.180 4.384 10 40 IICB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl 409049073 VWXWJAWGVHPPIS-RIYZIHGNSA-N 435.263 4.154 10 40 IICB O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccc(C(=O)O)cc1 1180301 OOWPMRNPEHSELQ-WJDWOHSUSA-N 446.937 4.268 10 40 IICB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2F)o1 35199559 CZFXTBXHDKRDAJ-WJDWOHSUSA-N 427.229 4.310 10 40 IICB COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1OC 59397724 HBTLVRIHKSUOKS-SXGWCWSVSA-N 432.479 4.026 10 40 IICB CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(O)c(Br)c3)C2=O)cc1 9427543 QHTIXXPZKASWSP-KPENOIPVSA-N 443.297 4.335 10 40 IICB CCCOC(=O)CN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)SC1=S 27563059 JDQFZSCRJVAJJP-CPNJWEJPSA-N 427.547 4.420 10 40 IICB CCOc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)o3)C(O)=NC2=S)c1 59138119 NQZNNKPRCVCKMA-NBVRZTHBSA-N 425.510 4.340 10 40 IICB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C 222810419 ATSDXJDIADKRQI-YADHBBJMSA-N 434.565 4.268 10 40 IICB CCCN1C(=O)N/C(=C\c2cc(C)n(-c3ccc(I)cc3)c2C)C1=O 409237506 UXXUCGALXIVREM-BOPFTXTBSA-N 449.292 4.001 10 40 IICB COc1ccc(OC)c(NC(=O)Cn2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)c1 9225843 ZGGZJQNQJSCFAT-UHFFFAOYSA-N 442.899 4.482 10 40 IICB COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)cc(Br)c1OC 27520677 APWUVIRUSVMRIL-ZSOIEALJSA-N 445.269 4.281 10 40 IICB COc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)ccc1OCc1ccccc1C 27563235 OZVYHFIZDXLQOA-KVMVOAJRSA-N 443.546 4.257 10 40 IICB COc1ccc(OC)c(/C=C2/C(=O)N(c3ccc(Br)c(C)c3)C(=O)N=C2O)c1 34138455 PFTXIELUGAOIBY-XNTDXEJSSA-N 445.269 4.281 10 40 IICB CCOc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)c2C)cc1 205745055 KXEZTIUPHDBIHS-UDWIEESQSA-N 442.537 4.481 10 40 IICB Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)c2C)c1C 223620173 IPFZXDCSKFOXBH-RPWUZVMVSA-N 434.609 4.461 10 40 IICB CCCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O 408804429 FXGMCYTXYJCFHF-LICLKQGHSA-N 428.872 4.112 10 40 IICB CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N([C@H](C)CC)C1=O 2382327 VJPJIKOJOFDNSY-ARSNJYAISA-N 444.626 4.321 10 40 IICB CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)ccc1OCc1cccc(Cl)c1 8951931 YFYGUQPHEGPDPG-ODLFYWEKSA-N 430.913 4.424 10 40 IICB Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(O)cc4)c3C)C(=O)NC2=S)c1C 9264470 JWBPFLYCFDWMPG-FYJGNVAPSA-N 445.544 4.248 10 40 IICB O=C(C1=CN(c2ccc(F)c(F)c2)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1 48990201 JYNDMPVDCCVOEL-UHFFFAOYSA-N 438.883 4.398 10 40 IICB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1 409233458 KPDUNBMMJHLOQK-XDHOZWIPSA-N 427.501 4.347 10 40 IICB COc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C2=O)cc1 2396573 HFIQDXJJSSSJSU-OEAKJJBVSA-N 443.503 4.073 10 40 IICB CCOC(=O)COc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1OC 33313389 AOQAJFPKIMYJGO-PDGQHHTCSA-N 435.567 4.171 10 40 IICB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3c[nH]c4ccc(Br)cc34)C2=O)cc1 13943230 OPPUREUZQIWBHR-RQZCQDPDSA-N 438.281 4.159 10 40 IICB CC1=CC2=NC(=O)/C(=C/c3ccc(OC(=O)c4ccccc4F)c(Cl)c3)C(=N)N2O1 41078402 FNNHDCALAQPBCL-SMSGSWJTSA-N 425.803 4.149 10 40 IICB CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)o1 204987062 RXUNQYNYMMZZLF-ZRDIBKRKSA-N 438.336 4.264 10 40 IICB COc1ccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccc(OC)cc2)cc1 408761926 HWQFTXQMADRICE-FYJGNVAPSA-N 428.444 4.267 10 40 IICB COc1cc(C2=NN3[C@@H](C2)c2cccc(OC)c2OC32CCN(C(C)C)CC2)ccc1O 10214598 KHAHZXJQBFAQDO-FQEVSTJZSA-N 437.540 4.153 10 40 IICB COc1ccc(N(CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)Cc2ccccc2)cc1 22983850 KBRLSMQPMLEBKD-IBGZPJMESA-N 429.520 4.466 10 40 IICB Cc1c(Cc2ccccc2)c(=O)oc2c(CN[C@@H](Cc3ccccc3)C(=O)O)c(O)ccc12 98038077 MSSBDBFFFOEGKG-QHCPKHFHSA-N 443.499 4.183 10 40 IICB Cc1cc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)c2C)c(C)c1 223581983 QZPZOBKHBQTBKN-VWNXMTODSA-N 434.609 4.379 10 40 IICB CCCc1nc(S/C(=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C(=O)O)n[nH]1 408633528 ZKGZSVGYRORDIG-GIJQJNRQSA-N 426.498 4.111 10 40 IICB N=C1/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N=C2SC(C(F)(F)F)=NN12 9144581 LITZADACZDOWJG-YBPMKGECSA-N 430.411 4.447 10 40 IICB CCOc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c(Br)cc1O 59135494 XBUKIJXNZJQNGA-NTUHNPAUSA-N 449.232 4.199 10 40 IICB Cc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 409089498 JJBUVQOWOLOLSX-FUDBJYBQSA-N 443.550 4.383 10 40 IICB COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccc(C)c(C)c2)C1=O 409246260 HDRLASHUSFXKML-KGENOOAVSA-N 449.576 4.134 10 40 IICB COc1ccc2c3c(n(CCc4ccc(O)cc4)c(=O)c2c1OC)-c1ccccc1C3=O 524731055 IQNWHBSVBGNDSJ-UHFFFAOYSA-N 427.456 4.178 10 40 IICB biogenic COc1ccc(CCN2C(=O)/C(=C/c3cccc(OC)c3OC)SC2=S)cc1OC 1045066 JQQSBESBXCQRQF-UYRXBGFRSA-N 445.562 4.165 10 40 IICB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccccc1OCc1cccc(F)c1 408913813 NYOCPNIMSGRHHA-UDWIEESQSA-N 434.398 4.210 10 40 IICB CCCCCCOc1ccccc1/C=C1/SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O 2367465 BDABQPPRZAPDNE-APVMCDBPSA-N 439.624 4.034 10 40 IICB COc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1C 9291922 CCNKOJUNOBGSJR-FWWHQILMSA-N 447.442 4.284 10 40 IICB Cc1ccc(-c2ccc(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)o2)cc1[N+](=O)[O-] 12414289 IPFMLUHJMNDAHQ-MHWRWJLKSA-N 432.479 4.229 10 40 IICB O=C(Nc1cccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1)c1ccco1 48229624 SFIGMZMSTUKWLE-FQEVSTJZSA-N 435.480 4.451 10 40 IICB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c1C 222747355 VHCPEATUSKWHSG-LEWJYISDSA-N 437.525 4.008 10 40 IICB COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(O)c(OC)c1 409022960 ACIBJJWERYXJSR-SXGWCWSVSA-N 433.382 4.297 10 40 IICB Cc1cc2nc3s/c(=C\c4cc(C)n(-c5ccc6c(c5)OCO6)c4C)c(=O)n3c2cc1C 409389106 AJZKJXIHXXAWOU-RMORIDSASA-N 443.528 4.210 10 40 IICB O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1)N1CCCC1 408574221 LADFXJWWXZUFNR-UYRXBGFRSA-N 442.537 4.233 10 40 IICB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1Cc1cccc(F)c1 408878803 BVPSMGJBXWHYMK-KGENOOAVSA-N 444.462 4.400 10 40 IICB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4F)cc3)C2=O)cc1 408882961 OTSFZBKZPSCXKO-RCCKNPSSSA-N 430.435 4.092 10 40 IICB CN(C)c1ccc([C@H](CNC(=O)c2ccccc2)N2CCN(c3ccccc3)CC2)cc1 22665383 MJVBIPAVXVCAAK-SANMLTNESA-N 428.580 4.046 10 40 IICB Oc1ccc2c(-c3cc(F)c(F)c(F)c3)noc2c1CN1CCN(c2ccccn2)CC1 41585933 CGENBQYXOQTQEK-UHFFFAOYSA-N 440.425 4.335 10 40 IICB CCOc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 408873398 QNHCYSBQFWOUAV-CXUHLZMHSA-N 449.688 4.168 10 40 IICB CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)c2C)cc1 409187191 NEOJXYODRKBBML-HZHRSRAPSA-N 443.503 4.468 10 40 IICB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 409243344 XWLDHLWDNNELIU-MHWRWJLKSA-N 427.338 4.027 10 40 IICB CCc1ccc(S(=O)(=O)Nc2cc(S[C@H](C)C(=O)O)c(O)c3ccccc23)cc1 8835917 SSNVKVNCGLUBFR-CYBMUJFWSA-N 431.535 4.474 10 40 IICB COC(=O)c1c(NC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)sc2c1CCC2 12569664 QOIZVRAZUWMHHL-UHFFFAOYSA-N 433.485 4.341 10 40 IICB COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccc(F)cc1 13895802 VLZOSASOKZOFAT-MFOYZWKCSA-N 434.876 4.173 10 40 IICB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccccc1 14132657 QSAOGHVPMLQDOS-XSFVSMFZSA-N 442.471 4.249 10 40 IICB CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)cc1 223571971 VTLTVLAIBBGMFK-UHFFFAOYSA-N 449.642 4.328 10 40 IICB CC[C@H](C)OC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc2c1CCCC2 225775214 ZRTARTCKEOUQGK-ASJPCPMZSA-N 431.554 4.434 10 40 IICB COc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2OC)cc1 408848532 XCRLWXIPAMWBOE-RCCKNPSSSA-N 429.432 4.447 10 40 IICB CN(C)c1ccc([C@@H](CNC(=O)C2CCCC2)N2CCN(c3ccc(F)cc3)CC2)cc1 22665637 CMXFRVFVSAXGJW-RUZDIDTESA-N 438.591 4.061 10 40 IICB O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 26509927 UWGHIIVMJODBSH-YVGNARHYSA-N 434.336 4.476 10 40 IICB CN(C)c1ccc([C@H](CNC(=O)COc2ccccc2F)N2CCc3ccccc3C2)cc1 35560566 LAYSGXTXICASGS-VWLOTQADSA-N 447.554 4.186 10 40 IICB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccc(C)c(C)c1 41078526 HIZPIQIRGPMIMZ-HAHUYDAESA-N 447.491 4.220 10 40 IICB CCN(CC)c1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 222752558 KUWGSCMWYISJMU-UHFFFAOYSA-N 443.613 4.028 10 40 IICB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1ccc(O)cc1 223227564 ZRPICFQVUYUOHV-DNQXCXABSA-N 449.624 4.119 10 40 IICB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(F)cc1 223267487 DVSCXFJIWVJNMC-XZOQPEGZSA-N 437.588 4.162 10 40 IICB Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(Cl)cc2)C(=O)NC1=S 408742251 QIUFITXLSSFJCL-NTEUORMPSA-N 435.730 4.242 10 40 IICB CC[C@H](C)Oc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 15013083 KLNHNFXKSZEVOS-MFVBVHDHSA-N 428.872 4.192 10 40 IICB COCCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)N1CCCCC1 44085911 CJEBLPSGFFNHOJ-UHFFFAOYSA-N 438.391 4.064 10 40 IICB CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)c2C)cc1 223615954 OGODRHLPVZHSEC-BJKOFHAPSA-N 434.609 4.406 10 40 IICB Cc1c(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cccc1N(C)S(C)(=O)=O 260512413 WPKAYSRLFKEDFH-HKUYNNGSSA-N 443.613 4.118 10 40 IICB COCCCN(Cc1c(O)ccc2c(C)c(C)c(=O)oc12)C[C@@H]1CCCN2CCCC[C@H]12 524729754 IIQYOXGMHYEWRT-NZQKXSOJSA-N 442.600 4.218 10 40 IICB biogenic CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N([C@@H](C)CC)C1=O 2382321 VJPJIKOJOFDNSY-YIQZXQSLSA-N 444.626 4.321 10 40 IICB Cc1ccc(OCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1 17042934 IARDOAUDWWCLIW-MHZLTWQESA-N 443.591 4.356 10 40 IICB CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1nn(-c2ccccc2)nc1C(=O)c1ccccc1 100955124 WFCWUSLUFXPNJC-ZPKNHPDFSA-N 449.474 4.373 10 40 IICB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccn1 223452158 CLDQOJUHCVSIMR-BJKOFHAPSA-N 440.576 4.452 10 40 IICB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\Sc3n[nH]c(CC)n3)C(=O)O)c2C)cc1 408630917 DRZWWSMGENAEKE-PDGQHHTCSA-N 440.525 4.169 10 40 IICB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(C)c4)cc3)C2=O)cc1 408815342 QCYAITYCFQYEPT-HZHRSRAPSA-N 442.471 4.249 10 40 IICB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Cl)cc([N+](=O)[O-])c1O 409046876 SDDOAZPSAMHPKD-FPYGCLRLSA-N 447.703 4.455 10 40 IICB CN(C)c1ccc(/C=C2\S[C@]3(C(=O)Nc4ccccc43)N(c3ccc(O)cc3)C2=O)cc1 32598058 JSOFTMXDNWGVIX-BQKWAYIGSA-N 443.528 4.384 10 40 IICB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1Cl 223576709 SSLCJOUKSNSFOC-LEWJYISDSA-N 426.973 4.107 10 40 IICB Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)c2C)c1 409149885 UHGBXVMMSOOKSU-OEAKJJBVSA-N 427.504 4.373 10 40 IICB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NCCCOC(C)C)cc1 17101517 ZSIFBKCFEJHRML-NKFKGCMQSA-N 437.540 4.133 10 40 IICB CCN(CC)c1ccc(N/C=C2/C(=O)N=C(S)N(c3ccccc3Cl)C2=O)cc1 103089365 WXUUYLQOKYRHRL-SSZFMOIBSA-N 428.945 4.341 10 40 IICB CCOc1ccc(N2C(=O)/C(=C\Nc3ccc(N(CC)CC)cc3)C(=O)N=C2S)cc1 103108395 WHTGBKCEMPNUMV-HKWRFOASSA-N 438.553 4.087 10 40 IICB O=[N+]([O-])c1cc(Cl)c(O)c(/N=N\c2cc(S(=O)(=O)O)c3cccc4[nH]nnc2c43)c1 104054888 DCOVSEQSTYJJGF-HNENSFHCSA-N 448.804 4.040 10 40 IICB COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 409375542 MIXYQUHIPCMEML-YVLHZVERSA-N 440.477 4.203 10 40 IICB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(Br)c1 409407558 MPEYJANVDDIOMS-UYRXBGFRSA-N 449.304 4.490 10 40 IICB COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(O)cc4)c3C)C(O)=NC2=S)cc1 2361898 KZOLAHDQMRJHQG-BKUYFWCQSA-N 447.516 4.480 10 40 IICB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1ccc2c3c(cccc13)C(=O)N(C)C2=O 16312069 WUZRJTDCYBDFKU-FYJGNVAPSA-N 438.487 4.401 10 40 IICB COc1ccc(N2CCN(C(=O)/C=C/c3ccc(OCc4ccccn4)cc3)CC2)cc1 40074804 GPNZRALZLHRULZ-VGOFMYFVSA-N 429.520 4.031 10 40 IICB COc1ccc(Br)cc1S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 95452395 YBMDLYVOPMOERO-UHFFFAOYSA-N 427.103 4.271 10 40 IICB COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)c1 223269698 NUAPSWJNEVCAED-RPWUZVMVSA-N 449.624 4.032 10 40 IICB COc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O 2377758 JAXBRAZJGOJZII-CPNJWEJPSA-N 449.894 4.423 10 40 IICB Cc1cc(C(=O)C(=O)Nc2ccccc2)c(C)n1-c1ccc(N2CCOCC2)c(Cl)c1 8666205 CMJSEJIBHXBGEG-UHFFFAOYSA-N 437.927 4.406 10 40 IICB CNC(=O)CCN1CCN(CC/C=C2\c3ccccc3Sc3ccc(Cl)cc32)CC1 31623387 WXFFTUKVTRHPLQ-KPSZGOFPSA-N 442.028 4.380 10 40 IICB COc1ccc([C@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc1 96114095 PDRHDYOOTFTDAG-MRXNPFEDSA-N 430.412 4.321 10 40 IICB biogenic COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C)c1C 223686933 DECDABOBUIRWRL-BJKOFHAPSA-N 448.592 4.333 10 40 IICB COc1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)OC(C)C)C3=O)c2C)c1 8451786 PTUVDLLXSZUXDH-GRSHGNNSSA-N 428.510 4.091 10 40 IICB COC(=O)C[C@@H]1c2cccnc2Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c21 96221061 YRYFETJUZSNNOB-CQSZACIVSA-N 431.400 4.067 10 40 IICB biogenic CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C2=O)cc1 408739273 ARVVECGESREZIB-JCMHNJIXSA-N 429.476 4.159 10 40 IICB COc1ccc(C2=N/C(=C/c3ccc(OC)cc3OC)C(=O)N2c2ccc(O)cc2)cc1 408759066 XFFCTPCERHXNDS-HYARGMPZSA-N 430.460 4.253 10 40 IICB Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 409106761 OVXAIRVDEHIYNB-SRZZPIQSSA-N 434.427 4.234 10 40 IICB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1c(Cl)cccc1Cl 409201479 NLHLELJGFBBMKT-XYOKQWHBSA-N 440.080 4.422 10 40 IICB Cc1cccc(OCCCOc2ccccc2/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 13942518 SKDPKVWCRMRQII-NKFKGCMQSA-N 428.488 4.304 10 40 IICB Cc1cc2nc3s/c(=C/c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)c(=O)n3c2cc1C 18193434 DUCBGKXNPZMMAP-LPYMAVHISA-N 448.548 4.218 10 40 IICB COc1cc(N/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2C)cc(OC)c1OC 103916913 UPRQZRPEBFFRPM-UNOMPAQXSA-N 438.509 4.431 10 40 IICB CC1CCN(c2ccc([C@H](C)NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)CC1 219219260 PLKFQIDBGGGSJN-IBGZPJMESA-N 441.597 4.089 10 40 IICB Cc1ccc(-n2nc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4C)C3=O)c2C)cc1 408755202 BXLYRCLWGFRDHP-FYJGNVAPSA-N 428.492 4.081 10 40 IICB CC(/C=C1\SC(=S)N(NS(=O)(=O)c2ccc(C)cc2)C1=O)=C\c1ccccc1 2454395 KCPBIJRLUJKCAR-MNPLYOLFSA-N 430.576 4.036 10 40 IICB CC(=O)[C@@H]1[C@@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccc(C)cc3N12 16001000 OFCMPHRWWYSXAE-ISJGIBHGSA-N 434.495 4.412 10 40 IICB COc1cc(N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc(OC)c1OC 16195261 GTETXRLEGIDARG-UHFFFAOYSA-N 440.327 4.373 10 40 IICB CC(=O)[C@H](/N=N\c1cccc2c1C(=O)c1ccccc1C2=O)C(=O)Nc1ccccc1C 104096273 WSEHVOSANAVVGR-HEIIZWRGSA-N 425.444 4.450 10 40 IICB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\Nc1ccc(F)c(Cl)c1 408550958 KXRRGBOSDXBAPZ-YFHOEESVSA-N 428.247 4.015 10 40 IICB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 408888930 CVTSSXCOYSACNI-UHFFFAOYSA-N 441.723 4.140 10 40 IICB COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(Cl)cc1 409409510 VWHBAOSMCKUHIN-ZHZULCJRSA-N 434.879 4.389 10 40 IICB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4O)[C@H]3C2=O)cc1 101178355 PWGSGXKGZUSYKQ-SGNDLWITSA-N 444.487 4.232 10 40 IICB CC1CCN(c2ccc([C@@H](C)NC(=O)CCCN3C(=O)c4ccccc4C3=O)cc2)CC1 219138348 NPWVAGLJRNZOMF-LJQANCHMSA-N 433.552 4.177 10 40 IICB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1ccccc1O 223227423 BICDWLQZZDIIIV-BJKOFHAPSA-N 449.624 4.119 10 40 IICB CCn1c(=O)sc2cc(S(=O)(=O)N[C@@H](C)c3ccc(N4CCCCC4)cc3)ccc21 225697159 STWVOFFNASEFAD-INIZCTEOSA-N 445.610 4.113 10 40 IICB Cc1cc(N2C[C@@H](C)C[C@H](C)C2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 225956127 ZQXRVIFMKLKDKC-ROUUACIJSA-N 438.645 4.354 10 40 IICB COc1ccc2ccc(OC)c(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)c2c1 408898411 MCJNJLBKHAJVAT-FYJGNVAPSA-N 430.460 4.140 10 40 IICB CC1=C[C@@H]2C[C@H](C)CC[C@@H]2[C@](C)(/C(O)=C2\C(=O)NC(CO)=C2O)[C@H]1/C=C/C=C/C[C@H](C)O 514288280 AJDLKWSYDPWRCH-LHXUSNRGSA-N 443.584 4.208 10 40 IICB biogenic,in-vitro CCSc1nnc2c(n1)O[C@H](c1cc(O)c(O)c(Br)c1)Nc1ccccc1-2 1084865 KYCYSBQFDBFWTJ-MRXNPFEDSA-N 447.314 4.327 10 40 IICB O=C1N=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)S/C1=C\c1ccc(Cl)cc1 35200701 HHMILKFLHGYWRD-AQTBWJFISA-N 428.901 4.041 10 40 IICB CCN1C(=O)/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)SC1=S 113834099 MFDHPCHHGZIZPV-WOJGMQOQSA-N 430.507 4.404 10 40 IICB CCOc1cccc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)c1OCC(=O)O 409200708 JVPMWVHULRLHGU-GZTJUZNOSA-N 429.519 4.263 10 40 IICB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl 409400084 OQDYDYMVAADDRT-UYRXBGFRSA-N 449.850 4.289 10 40 IICB CC(=O)NC1=NC(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)c(Br)c2)S1 1149164 FQOQXFLHXROERE-VCHYOVAHSA-N 445.338 4.443 10 40 IICB COc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccco5)SC4=NC3=O)c2C)c1 9307287 ALYKMQBFUIKNRN-KKVJOTPGSA-N 445.504 4.363 10 40 IICB Cc1ccc(-n2c(C)cc(CC(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)c2C)cc1 9353553 LHOKAUHKSUKVGV-UHFFFAOYSA-N 436.464 4.463 10 40 IICB CCc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)cc1 9461682 KRWAHTYTUHKDKY-GVAUOCQISA-N 441.531 4.366 10 40 IICB