smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Nc1ccnc2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc12 587080679 OJRYRNFKLMBLMO-RWSFTLGLSA-N 337.814 4.020 10 1 EICF CC(C)=CCC[C@H](C)[C@@H]1c2cc(C(=O)O)c(O)c(O)c2[C@H](C)C[C@@H]1O 2356703832 WELCNKRQSNXMDQ-SHUKQUCYSA-N 348.439 4.130 10 1 EICF c1ccc(OCCNc2ccccc2NCCN2CCCCC2)cc1 28899109 LIUOOKSQCYGVJQ-UHFFFAOYSA-N 339.483 4.075 10 1 EICF COc1ccc(C[C@H](C)[C@@H](C)Cc2ccc(O)c(O)c2)cc1OC 38223523 ICZUIJGVBIFLAX-KBPBESRZSA-N 330.424 4.172 10 1 EICF COc1ccc(NCc2oc3c(c2C)C(=O)C(=O)c2ccccc2-3)cc1 169353282 UXPXTJUSGOJWTC-UHFFFAOYSA-N 347.370 4.255 10 1 EICF COC(=O)c1cc(Cl)c2[nH]c(CCCCCCN=[N+]=[N-])nc2c1 587260658 YGCDYDSCRBKVAC-UHFFFAOYSA-N 335.795 4.416 10 1 EICF COc1ccc(/N=N/c2c(-c3ccc([N+](=O)[O-])cc3)n[nH]c2O)cc1 169307453 MTRFDZFQDLAXQX-HTXNQAPBSA-N 339.311 4.115 10 1 EICF COc1ccc(NC(=S)N=Nc2c(O)[nH]c3ccccc23)cc1 299813165 RRCQAXBOKBNIDS-UHFFFAOYSA-N 326.381 4.363 10 1 EICF O=C(Cc1ccc(-c2ccccc2)cc1)c1cc(O)c(O)c([N+](=O)[O-])c1 27752069 HRZKUMRWSVXWQU-UHFFFAOYSA-N 349.342 4.098 10 1 EICF O=C(Nc1ccc2c(c1)-c1ccccc1C(=O)C2=O)c1ccccc1F 13862840 CWUWDYQQSBBGHE-UHFFFAOYSA-N 345.329 4.124 10 1 EICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cnccc3[nH]1)[C@@H]1CC=C[C@H]21 587277432 VWQWGZKOCUMIBK-JCGVRSQUSA-N 347.378 4.001 10 1 EICF CCCCCc1cc(O)c2c(c1)SC(C)(C)C[C@H]2NC[C@H](C)O 26725983 CNBLMZBJUNSAOJ-DZGCQCFKSA-N 337.529 4.411 10 1 EICF CC[C@@]1(C)C[C@@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586888406 ITUDCPKASRSXNP-SZNDQCEHSA-N 330.387 4.242 10 1 EICF C=C/[N+]([O-])=N/CCCCCCCCn1cc(-c2ccccc2)nn1 1857547213 QSRBSMGATFNTEO-NMWGTECJSA-N 327.432 4.392 10 1 EICF COc1ccc(C2=S(O)c3ccccc3-n3cccc3C2=O)cc1 169714213 QATWHVSJDRCQEX-UHFFFAOYSA-N 337.400 4.004 10 1 EICF CN(C)c1ncccc1-c1nc2cc(Oc3ccc(N)cc3)ccc2[nH]1 587196431 VLXBULPRCUCNEQ-UHFFFAOYSA-N 345.406 4.065 10 1 EICF CCOC(=O)C[C@H](/N=N/c1ncnc2ccccc12)c1ccccc1 169691590 UPWYYZJTJSUEAU-AWZKZOKMSA-N 334.379 4.408 10 1 EICF CCn1c(O)c(/N=N/C(=O)CNc2cccc(C)c2)c2ccccc21 101473427 LIQLLCCMUFJUIC-QURGRASLSA-N 336.395 4.398 10 1 EICF O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1Cc1ccncc1 169327319 MYIXDGFWUWIAQL-ZROIWOOFSA-N 346.864 4.136 10 1 EICF Nc1nn2c(O)cc(-c3ccccc3)nc2c1/N=N/c1ccccc1 101957849 ZTNMGLZFDBALHQ-QURGRASLSA-N 330.351 4.100 10 1 EICF CCn1c(C)nc2cc(C(=O)/N=N\c3c(O)[nH]c4ccccc34)ccc21 13120530 DVGVZWHDYJCJSZ-FCQUAONHSA-N 347.378 4.476 10 1 EICF COC(=O)c1cc(-n2c(C)ccc2C)c(Cl)cc1Br 587936984 MBWKWQNZHCDQKA-UHFFFAOYSA-N 342.620 4.297 10 1 EICF Oc1cc(O)c(O)c(/C=C/c2cccc(CCc3ccccc3)c2)c1O 169685526 SRAXBXKSVCJWDX-VAWYXSNFSA-N 348.398 4.465 10 1 EICF CC1=CC(C)(C)n2c(O)c(N=NC(N)=S)c3c(C)c(C)cc1c32 377867592 AETIKCCMQKILKG-UHFFFAOYSA-N 328.441 4.443 10 1 EICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCCN=[N+]=[N-])N1 587746103 LIHDQLYLMYMTJL-SDBXPKJASA-N 327.201 4.254 10 1 EICF CCCN1CCc2c(cc(O)c(O)c2Cl)[C@H](c2ccccc2)C1 27181563 OBYRGLTUYUPMBP-INIZCTEOSA-N 331.843 4.151 10 1 EICF O=C(/N=N\c1c(O)[nH]c2ccc(Br)cc12)c1ccco1 103052688 YTFCZGSXKMFRFK-MSUUIHNZSA-N 334.129 4.153 10 1 EICF Cc1c(F)ccc2c1[C@@](C)(c1cc3c(cc1O)CCCC3)NCC2 962094584 TWHTWRXQMPBBFH-OAQYLSRUSA-N 325.427 4.128 10 1 EICF COc1ccc(C/N=N/c2ccc(C(=O)O)cc2)cc1Br 169689780 YYTGMDAZAZCDJB-ISLYRVAYSA-N 349.184 4.440 10 1 EICF CCOc1ccccc1-c1nc(CN(C)c2ccc(OC)cc2)co1 72183465 HVUNWUXGADWEHY-UHFFFAOYSA-N 338.407 4.385 10 1 EICF Oc1ccc2c(c1)[C@H](c1cc(Cl)c3ccccc3c1O)NCC2 963340789 IHDCENQLUMABQU-GOSISDBHSA-N 325.795 4.140 10 1 EICF COc1cc(O)c2c(c1C)C(=O)N1c3ccc(Cl)cc3CC[C@H]21 28951010 KJBQUAUKONJUOX-CYBMUJFWSA-N 329.783 4.010 10 1 EICF Oc1ccc(-c2ccnn2-c2ccc(C(F)(F)F)cc2)c(F)c1O 49068413 JISUKGSGTKOSOP-UHFFFAOYSA-N 338.260 4.108 10 1 EICF Oc1ccc(-c2ccc(C3=NN=C4c5ccc(O)cc5C[C@@H]34)cc2)cc1 89469225 XTUFLRUKPLHOPJ-FQEVSTJZSA-N 340.382 4.144 10 1 EICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(C)(C)N=[N+]=[N-])N1 587744591 HMLHEHCPBRUPFQ-CLAHSXSESA-N 341.228 4.427 10 1 EICF [N-]=[N+]=NCCCNC(=O)c1ccc(-c2ccc(Br)cc2)o1 2178320116 INXZSVJJDGULEX-UHFFFAOYSA-N 349.188 4.139 10 1 EICF Oc1ccc(-c2cccnc2)cc1CNC[C@H]1C[C@H]2C=C[C@H]1C21CC1 253880688 ZMQMQJGZQIIZDC-MISYRCLQSA-N 332.447 4.146 10 1 EICF COc1cc(/C=C/c2nc3ccc(C(C)(C)C)cc3[nH]2)cc(O)c1O 587786746 WPUWKEGNPDGNNW-VMPITWQZSA-N 338.407 4.451 10 1 EICF O=C(CSCc1ccccc1)N=Nc1c(O)[nH]c2ccccc12 253995083 MWSLWLKRZZOJFC-UHFFFAOYSA-N 325.393 4.417 10 1 EICF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCCC4)cc1C)[C@@H](C2)C3=O 587443192 LKJZPSDAJZVDDF-AVRDEDQJSA-N 349.430 4.093 10 1 EICF O=C(O)c1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 169363751 WOKVXSNZKHRNTH-CPUCHLNUSA-N 336.347 4.120 10 1 EICF O=C(O)c1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 169367829 SLZXXWORYGGPLE-CPUCHLNUSA-N 336.347 4.120 10 1 EICF C[C@H]1C(=O)CC[C@H]1Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587963647 POZXDOHFNFQUBZ-OLZOCXBDSA-N 335.407 4.095 10 1 EICF Nc1ccc(CCCN[C@@H]2CCC[C@H]2CCCCCCC(=O)O)cc1 28003443 BQFDXUXOJXXNFM-UYAOXDASSA-N 346.515 4.385 10 1 EICF COc1ccc(C[C@@H](C)[C@H](C)Cc2ccc(O)c(O)c2)cc1OC 38223525 ICZUIJGVBIFLAX-ZIAGYGMSSA-N 330.424 4.172 10 1 EICF CCc1ccc(CC)n1-c1cc2cnccc2c(Br)n1 587942182 SUVKTDZETSALAM-UHFFFAOYSA-N 330.229 4.308 10 1 EICF CC(C)=CCC[C@H](C)[C@H]1c2cc(C(=O)O)c(O)c(O)c2[C@H](C)C[C@H]1O 210346194 WELCNKRQSNXMDQ-OJDYBEQGSA-N 348.439 4.130 10 1 EICF C[n+]1c2ccccc2c(Nc2ccccc2)c2ccc([N+](=O)[O-])cc21 169339497 XEEKLLKZWOQYSS-UHFFFAOYSA-O 330.367 4.469 10 1 EICF CCn1c(C)nc2cc(C(=O)/N=N/c3c(O)[nH]c4ccccc34)ccc21 101496382 DVGVZWHDYJCJSZ-GHVJWSGMSA-N 347.378 4.476 10 1 EICF CC=Cc1cc(OC)c2c(c1)[C@@H](C)[C@H](c1cc(O)c(O)c(OC)c1)O2 2356669922 SMOZKDIFJUIAKQ-NSPYISDASA-N 342.391 4.385 10 1 EICF COc1ccc(N2C(=O)[C@@H](N=[N+]=[N-])[C@@H]2c2ccc(Cl)cc2)cc1 44146257 YEHNIJOQMMMRKW-GJZGRUSLSA-N 328.759 4.115 10 1 EICF CC(C)(C)c1cc2c(s1)[C@H]1c3cc(O)c(O)cc3CC[C@@H]1NC2 13762018 FZGYMZTVBMODJR-GUYCJALGSA-N 329.465 4.007 10 1 EICF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1cc(OC)c(OC)cc1O 963244360 WGSLZMAMOLVYLJ-SPLOXXLWSA-N 341.451 4.155 10 1 EICF Cc1cc(C)c(S(=O)(=O)O)cc1/N=N/c1cc(C)c(O)c(C)c1 103283659 JZUHAWDNVURDFI-ISLYRVAYSA-N 334.397 4.288 10 1 EICF C[C@H]1OC(=O)c2c3c(c(O)c(O)c21)[C@@]1(C)CCCC(C)(C)[C@H]1CC3 238781854 CABUHJOJYBAZEW-MPDMTVCLSA-N 330.424 4.359 10 1 EICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCCN=[N+]=[N-])N1 587744025 FWKLTNBJIQZABU-KWQFWETISA-N 327.201 4.254 10 1 EICF COc1ccccc1NC1=NC(=O)/C(=C/c2ccc3[nH]ccc3c2)S1 95755405 DFJCPMGDMWLVEA-BOPFTXTBSA-N 349.415 4.259 10 1 EICF Cc1c(C)c(O)c([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c(C)c1O 963113297 SVZMXDKYZYQJGC-LPHOPBHVSA-N 341.426 4.272 10 1 EICF O=C1N=C(Nc2ccccc2)S/C1=C\c1ccc2ncccc2c1 28821255 QNGJYVOEOMSOMB-ATVHPVEESA-N 331.400 4.317 10 1 EICF COc1cccc([C@H]2CC(c3c(O)ccc4ccccc34)=NN2)c1OC 96938885 YTSZWEBRFGIUAY-MRXNPFEDSA-N 348.402 4.001 10 1 EICF CCNCc1cc(Cc2ccnc3cc(Cl)ccc23)ccc1O 40860756 UJOUCKBOLUFWOX-UHFFFAOYSA-N 326.827 4.294 10 1 EICF Cc1ccsc1C1=NN[C@@H](c2ccc(N3CCCCC3)cc2)C1 103223382 XORUIRGLYIGKKD-QGZVFWFLSA-N 325.481 4.486 10 1 EICF COc1cc(/C=C\c2nc3cccc(C(C)(C)C)c3[nH]2)cc(O)c1O 587786796 XKISQHRSQMVYDV-HJWRWDBZSA-N 338.407 4.451 10 1 EICF CC(=O)N1N=C(c2ccc(O)cc2)C[C@@H]1c1c(Cl)cccc1Cl 4018768 WZVXWKHHHPQNNH-MRXNPFEDSA-N 349.217 4.397 10 1 EICF Cc1cc(Nc2ccccc2)nc(NCc2ccc3c(c2)CCN3C)n1 45351619 CFNRVSVOWJJKDH-UHFFFAOYSA-N 345.450 4.133 10 1 EICF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1c(O)ccc2ccccc12 963642705 ZEISWZCCAHMQBI-WHEQGISXSA-N 349.430 4.186 10 1 EICF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCCC3)cc1C)O2 587396266 RHIJOBLIOMUQOF-HXUWFJFHSA-N 336.435 4.192 10 1 EICF CC[C@H](C)NCc1c(O)ccc2c(CN[C@H](C)CC)c(O)ccc12 45195807 XVYDBDFIIHNERZ-OKILXGFUSA-N 330.472 4.027 10 1 EICF CCCNC(=O)c1c(O)csc1Nc1ccc2ccccc2c1 169730411 WHCORTIXFDQLBR-UHFFFAOYSA-N 326.421 4.490 10 1 EICF O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCCC3=O)ccc1O 169334165 BNYVGUYIDCZLFK-UHFFFAOYSA-N 347.370 4.067 10 1 EICF COc1ccc(OC)c(N=Nc2c(O)nc3ccccc3c2O)c1 254017993 QALMVSCMQMHCML-UHFFFAOYSA-N 325.324 4.079 10 1 EICF Cc1ccc(-c2ccc3ccccc3c2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 26834167 YAGSCRJOPNSMPV-WOJBJXKFSA-N 349.430 4.073 10 1 EICF CCn1ccc2c(-c3cnc(N)nc3-c3ccccc3O)cccc21 71317472 IMHJCUIJMSSOFB-UHFFFAOYSA-N 330.391 4.073 10 1 EICF O=[N+]([O-])c1cnc(Sc2nc3cc(C(F)(F)F)ccc3[nH]2)s1 40954533 QLSQWEFKXRIUSI-UHFFFAOYSA-N 346.315 4.098 10 1 EICF CCOC(=O)c1c(O)csc1Nc1cccc(C(F)(F)F)c1 169730439 VHWQITVIZFZNPO-UHFFFAOYSA-N 331.315 4.393 10 1 EICF Oc1ccc2ncccc2c1[C@@H]1c2ccc(F)cc2C[C@H]2CCCN12 963101234 QQCPTKWZZWZTOF-VFNWGFHPSA-N 334.394 4.189 10 1 EICF CN(C)CCCN(/N=N/c1cccc([N+](=O)[O-])c1)c1ccccc1 45283411 TVRPSUDZLNVBGB-VHEBQXMUSA-N 327.388 4.052 10 1 EICF Cc1nn(-c2ccccc2)c(O)c1C(=S)SCc1ccccc1 1857764833 POFZUPFZBOQGKB-UHFFFAOYSA-N 340.473 4.495 10 1 EICF CCOc1cccc([C@@H]2c3cc(OC)ccc3CCN2C(C)C)c1O 962089356 HYBHEYAEJVYLPG-HXUWFJFHSA-N 341.451 4.155 10 1 EICF CO[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@]2(C)CCCC(C)(C)[C@@H]2[C@H]1O 2356420780 NAFCRWTYYJXRIX-JTJHWIPRSA-N 348.483 4.367 10 1 EICF CCOc1ccc([C@@H]2CC(c3ccc4ccccc4c3O)=NN2)cc1 4143143 ONBFAYWEOYFREZ-IBGZPJMESA-N 332.403 4.383 10 1 EICF O=C(O)c1cc(/N=N/c2c(O)ccc3ccccc23)cc(C(=O)O)c1 101498597 CXQUYNPLPYNRQI-FMQUCBEESA-N 336.303 4.357 10 1 EICF O=C1c2ccccc2-c2nnc(-c3ccc(N4CCCCC4)cc3)cc21 27301769 HTMYZCZZPWYERH-UHFFFAOYSA-N 341.414 4.345 10 1 EICF Oc1ccc2ccccc2c1[C@@H](c1cccs1)N1CCOCC1 137216321 WNUGMTOWTQIAIH-LJQANCHMSA-N 325.433 4.029 10 1 EICF CC(C)c1c(O)c(O)c2c(c1C=O)[C@H](O)[C@@H]1C(C)(C)CCC[C@]21C 14966693 IIYLPCIYUBWRSS-ILZDJORESA-N 332.440 4.165 10 1 EICF biogenic,in-vitro Oc1ccc(C=Cc2ccc(O)c(O)c2CCc2ccccc2)cc1O 2356371617 MONXTWUQSVSPBY-UHFFFAOYSA-N 348.398 4.465 10 1 EICF Cc1cc(O)c(C2=NN[C@H](c3ccc(N(C)C)cc3)C2)c(C)c1Cl 299856178 CHKSAMVTQBAYLG-HNNXBMFYSA-N 343.858 4.167 10 1 EICF O=C1Nc2c(sc3ccc(Cl)cc23)[C@H](c2ccccc2O)N1 1857554670 DIYXGWBTAHQSOL-ZDUSSCGKSA-N 330.796 4.485 10 1 EICF COc1cccc2c(Nc3cc(N)cc(CO)c3)c3ccccc3nc12 27524758 KUFSXYWVHAVPHP-UHFFFAOYSA-N 345.402 4.215 10 1 EICF CCc1ccccc1NC(=O)CN(C)Cc1c(O)ccc2ccccc12 3378275 LQHOWWMOXSVREO-UHFFFAOYSA-N 348.446 4.178 10 3 EICF O=C(O)c1cccc(N2C(=O)/C(=C/C3CCCCC3)SC2=S)c1 28347868 HOADRJRBKTWDSI-ZROIWOOFSA-N 347.461 4.214 10 1 EICF CCCN(CCC)CCc1ccc(O)c(O)c1-c1ccc(O)cc1 29563289 NTNWFRQRDDNMJY-UHFFFAOYSA-N 329.440 4.135 10 1 EICF in-vivo Oc1cc2c(c(-c3ccc(F)cc3)c1O)CCNC[C@H]2c1ccccc1 40940029 BHODZQVQJXYVJG-IBGZPJMESA-N 349.405 4.182 10 1 EICF Cc1ccc(C2=NN[C@@H](c3ccc(N4CCCCC4)cc3)C2)s1 103223395 YNZUUGVVDZBRGO-QGZVFWFLSA-N 325.481 4.486 10 1 EICF O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3ccc(F)cc3)nc21 66077768 VLIGWLHULWIRAT-UHFFFAOYSA-N 342.329 4.144 10 1 EICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(C)(C)N=[N+]=[N-])N1 587743607 DUQWMTGFGXZQEN-RTHLEPHNSA-N 341.228 4.427 10 1 EICF Oc1cc(O)c2c(c1)CCN[C@H]2Cc1ccc(-c2ccccc2)cc1 103173752 MAZGSMNKVNHWMZ-FQEVSTJZSA-N 331.415 4.194 10 1 EICF C[C@H]1C(=O)CC[C@@H]1Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587963646 POZXDOHFNFQUBZ-CHWSQXEVSA-N 335.407 4.095 10 1 EICF COc1ccc(N=Nc2c(-c3ccc(OC)cc3)noc2O)cc1 253978936 ZWNNAQOPKFRGPE-UHFFFAOYSA-N 325.324 4.480 10 1 EICF Cc1nc(-c2ccc(Cl)cc2)cc2c1C(=O)c1ccccc1C2=O 96934754 BPUGWYRBAIIFHK-UHFFFAOYSA-N 333.774 4.486 10 1 EICF Cc1cc(/N=N/Cc2ccc3c(c2)OCO3)c2cc3c(cc2n1)OCO3 169693549 TWQKODMNYCKFPK-LSDHQDQOSA-N 349.346 4.285 10 1 EICF CC1=NNC(=O)/C1=C/c1c(-c2ccccc2)[nH]c2ccc(Cl)cc12 102908217 NUKXNDAVGKDBIP-GXDHUFHOSA-N 335.794 4.377 10 1 EICF CCn1c(C)nc2cc(C(=O)N=Nc3c(O)[nH]c4ccccc34)ccc21 253993097 DVGVZWHDYJCJSZ-UHFFFAOYSA-N 347.378 4.476 10 1 EICF Cc1ccc(N=Nc2c(N)nn3c(O)cc(-c4ccccc4)nc23)cc1 253531916 KIGHANJKBGICIZ-UHFFFAOYSA-N 344.378 4.408 10 1 EICF CCc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1 29389031 PGVQUOYOIHIWBC-UHFFFAOYSA-N 343.423 4.249 10 1 EICF COc1ccc([C@@H]2CC(c3c(O)cc(C)c(Cl)c3C)=NN2)cc1 299866691 WFDCDWSZFYPXBT-AWEZNQCLSA-N 330.815 4.110 10 1 EICF O=C1C[C@H](c2cc(O)c(O)c(Cl)c2)Oc2c1ccc1c2CCCC1 587496866 GNGYMEBUEZWDSV-QGZVFWFLSA-N 344.794 4.337 10 1 EICF CCc1ncnc(N[C@H](C)c2cc3c(cc2O)CCCC3)c1Cl 28887592 ZJQRBMIHMMDPEJ-LLVKDONJSA-N 331.847 4.450 10 1 EICF CCn1c(O)c(/N=N/C(=O)CNc2ccc(C)cc2)c2ccccc21 101708774 DUCNWMVCWLTMFS-QURGRASLSA-N 336.395 4.398 10 1 EICF COc1ccc([C@@H](c2c(O)ccc3ccccc23)N2CCCC2=O)cc1 1772657114 AQJQKWGJIFSINM-QFIPXVFZSA-N 347.414 4.266 10 1 EICF O=C(/N=N\c1c(O)[nH]c2ccccc12)c1cc(-c2cccs2)[nH]n1 18284847 PQRWBAZSQJSTMV-MRCUWXFGSA-N 337.364 4.249 10 1 EICF Cc1c(C)c2c(c3c1O[C@H](c1ccc(O)c(O)c1)C3)CCC(C)(C)O2 28566901 DMSZPHAMWWHOIZ-SFHVURJKSA-N 340.419 4.494 10 1 EICF CC(=O)N1N=C(c2ccc(O)cc2)C[C@H]1c1c(Cl)cccc1Cl 4018767 WZVXWKHHHPQNNH-INIZCTEOSA-N 349.217 4.397 10 1 EICF Cc1ccc(OCC(=O)/N=N/c2c(O)[nH]c3c(C)cc(C)cc23)cc1 103969492 KSYFLEHMIPMHJE-QURGRASLSA-N 337.379 4.488 10 1 EICF Cc1c(C)c2c(c(CCc3ccc(O)c(O)c3)c1O)CCC(C)(C)O2 28567243 RVPOUHCKGADEJT-UHFFFAOYSA-N 342.435 4.309 10 1 EICF O=[N+]([O-])c1cccc(-c2csc(/N=N/Cc3ccccn3)n2)c1 169724991 DLYXBEAIFXAIHS-HTXNQAPBSA-N 325.353 4.397 10 1 EICF Oc1c([C@H](Nc2ncccn2)c2ccccc2F)ccc2cccnc12 1772640439 BFQVXGIHOQPUNJ-GOSISDBHSA-N 346.365 4.071 10 1 EICF COc1ccc(N2CC(C)(C)C[C@@H]2/C=C/C(=O)OC(C)(C)C)cc1 206036457 QYMIFMLYEWOEFA-YHVDPYDOSA-N 331.456 4.198 10 3 EICF COc1ccc(/N=N\c2c(-c3ccc(OC)cc3)noc2O)cc1 5729799 ZWNNAQOPKFRGPE-HNENSFHCSA-N 325.324 4.480 10 1 EICF COc1ccc(N2C(=O)[C@@H](N=[N+]=[N-])[C@H]2c2ccc(Cl)cc2)cc1 44146254 YEHNIJOQMMMRKW-LSDHHAIUSA-N 328.759 4.115 10 1 EICF O=[S@@](/C=C/c1ccc(O)c(O)c1)Cc1ccc(C(F)(F)F)cc1 169337048 DBUVUORMXHCMTJ-MNQSQUENSA-N 342.338 4.036 10 1 EICF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cc(OC)c(OC)cc1O 963244359 WGSLZMAMOLVYLJ-QKKBWIMNSA-N 341.451 4.155 10 1 EICF O=C(/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1Cl 13687125 WQWLFQYLWHIPHJ-VHEBQXMUSA-N 344.714 4.359 10 1 EICF O=C1c2ccccc2C(=O)C1c1cc(O)c2ccc3ccccc3c2n1 101268076 NQEBZPDKLALIDO-UHFFFAOYSA-N 339.350 4.256 10 1 EICF Clc1ccccc1OCCCn1c2c(c3ccccc31)CCNC2 1857561558 SJNRIKYGMYUPBJ-UHFFFAOYSA-N 340.854 4.410 10 1 EICF CC(C)(C)Oc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1O 169352813 HQLORQSFRBMAJZ-UHFFFAOYSA-N 326.348 4.049 10 1 EICF Nc1ccc(Oc2ccc3nc([C@H](N)c4ccsc4)[nH]c3c2)cc1 587026628 ZPWLLZLPKBAPLA-QGZVFWFLSA-N 336.420 4.047 10 1 EICF O=C(Oc1cccc(/C=C/c2ccccc2)c1)c1cc(O)c(O)c(O)c1 1857547263 BYJQGGCGWKTEHM-MDZDMXLPSA-N 348.354 4.193 10 1 EICF Cc1cc2c(n1-c1cc3cnccc3c(Br)n1)CCCC2 587940047 HTQOFLDMPBLVAK-UHFFFAOYSA-N 342.240 4.370 10 1 EICF CC(C)c1cc2c(c(O)c1O)[C@@]1(C(=O)O)CCCC(C)(C)[C@H]1C=C2 13480774 FLIWYLVYBBWQTL-JLTOFOAXSA-N 330.424 4.397 10 1 EICF biogenic CCN(Cc1coc(-c2ccccc2C)n1)c1ccc2c(c1)OCO2 72180578 DBRRSWIVMBNMRB-UHFFFAOYSA-N 336.391 4.405 10 1 EICF Oc1ccc2ccccc2c1[C@H](c1cccs1)N1CCOCC1 137216368 WNUGMTOWTQIAIH-IBGZPJMESA-N 325.433 4.029 10 1 EICF COc1cccc([C@H]2CC(c3ccc4ccccc4c3O)=NN2)c1OC 96938891 WLFUBRZSKYOQLN-GOSISDBHSA-N 348.402 4.001 10 1 EICF Cc1c(-c2ccccc2)n[nH]c1C(=O)/N=N\c1c(O)[nH]c2ccccc12 102620901 WAOZNFYGAINALA-VHXPQNKSSA-N 345.362 4.496 10 1 EICF O=C1c2ccccc2-c2nnc(-c3ccc(C(F)(F)F)cc3)cc21 13479536 JOCNDLZDRNVPCH-UHFFFAOYSA-N 326.277 4.374 10 1 EICF CC(C)=CCc1cc([C@H]2CCc3ccc(O)cc3O2)cc(O)c1O 13860546 MSTNVJDHQJXVFI-GOSISDBHSA-N 326.392 4.378 10 1 EICF biogenic Nc1ccc(CCCN[C@@H]2CCC[C@@H]2CCCCCCC(=O)O)cc1 28003434 BQFDXUXOJXXNFM-AZUAARDMSA-N 346.515 4.385 10 1 EICF C/C=C/c1cc(OC)c2c(c1)[C@H](C)[C@@H](c1cc(O)c(O)c(OC)c1)O2 136417201 SMOZKDIFJUIAKQ-NQYCLIQSSA-N 342.391 4.385 10 1 EICF CN(C)c1ccc(Nc2c3ccc(N)cc3nc3cc(N)ccc23)cc1 13601070 VLLJQXARKBAFOQ-UHFFFAOYSA-N 343.434 4.362 10 1 EICF Clc1ccc(NCCCn2c3c(c4ccccc42)CCNC3)cc1 1857568421 RGGZNPXOODAXRA-UHFFFAOYSA-N 339.870 4.443 10 1 EICF CC=Cc1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1OC)[C@@H](C)O2 2356498144 KGQWKAXLDWKONS-ADLMAVQZSA-N 328.364 4.041 10 1 EICF O=[N+]([O-])c1c(O)oc2ccccc2/c1=N\c1cc2ccccc2cc1O 102920407 OXEYGYWVHBJIQJ-LVZFUZTISA-N 348.314 4.138 10 1 EICF CC(C)(N=[N+]=[N-])[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577626 TXZMNBBDKQAQEV-KDOFPFPSSA-N 339.351 4.201 10 1 EICF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(C)(C)N=[N+]=[N-])N1 587744592 HMLHEHCPBRUPFQ-RMLUDKJBSA-N 341.228 4.427 10 1 EICF CCOC(=O)c1cc2n(c1C)-c1cccc(N)c1-c1c(OC)cccc1-2 32063539 IINBCQIFRNXKOQ-UHFFFAOYSA-N 348.402 4.201 10 1 EICF CC(=O)OCc1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 587922858 YDQQJXPGKKDPPQ-UHFFFAOYSA-N 344.411 4.420 10 1 EICF CCCCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 13762024 HOPSYZDZFWQWGW-HNAYVOBHSA-N 329.465 4.052 10 1 EICF COc1cc(C)c([C@@H]2c3cc(OC)ccc3CCN2C(C)C)c(O)c1 962093111 SLAMPHNHMYCYDW-NRFANRHFSA-N 341.451 4.074 10 1 EICF Cc1ccc(-c2cc(C(=O)N=Nc3c(O)[nH]c4ccccc34)n[nH]2)cc1 617989185 QUOBJJGZOKWLBA-UHFFFAOYSA-N 345.362 4.496 10 1 EICF COc1ccccc1[C@H](c1c(O)ccc2ccccc12)N1CCCC1=O 1772635512 BNFQMGIRNYEYNM-JOCHJYFZSA-N 347.414 4.266 10 1 EICF O=C(O)c1cccc2c1N[C@@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@H]21 4132679 OOTILHHLBMVKCX-XWCIJXRUSA-N 336.347 4.120 10 1 EICF CC1(C)OC(=O)C(=Cc2c3ccccc3cc3ccccc23)C(=O)O1 32235470 SGGPHPNAMAWLGH-UHFFFAOYSA-N 332.355 4.213 10 1 EICF CC1(C)Cc2cnn(-c3ccc(N)cc3)c2-c2[nH]c3ccccc3c21 621485901 SMOMOUAISOEPSL-UHFFFAOYSA-N 328.419 4.437 10 1 EICF COc1ccc([C@H]2CC(c3ccc4ccccc4c3O)=NN2)c(OC)c1 96938897 ZCKKVHSULJQUQN-GOSISDBHSA-N 348.402 4.001 10 1 EICF CCCC1=CC(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)O1 2356858130 SFTKTMJDMNYCMR-UHFFFAOYSA-N 325.320 4.479 10 1 EICF CC1=NN(c2ccccc2)C(=S)/C1=C/Nc1cccc([N+](=O)[O-])c1 100475404 ZKRIPYLMILHLKN-LFIBNONCSA-N 338.392 4.114 10 3 EICF CC=Cc1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1OC)[C@@H](C)O2 2356498147 KGQWKAXLDWKONS-ZMZPIMSZSA-N 328.364 4.041 10 1 EICF CC(=O)c1ccc(N2CCN(/C=C/N=N/c3ccccc3)CC2)cc1 45505940 QFVRCORTIMURDA-HOQAWBCNSA-N 334.423 4.266 10 1 EICF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2c(O)cccc2OC)N1 962942003 FLTNWPOEFHBYAV-ZSEKCTLFSA-N 336.435 4.070 10 1 EICF CCOC(=O)c1cccc(/N=N/Nc2cccc(C(=O)OCC)c2)c1 6040893 SRQNSZYLZQIYMJ-UHFFFAOYSA-N 341.367 4.151 10 1 EICF Cc1ccc(NC2=NC(=O)/C(=C/c3cccc(O)c3)S2)c(Cl)c1 29050983 BDKFFRYDVRAWNW-DHDCSXOGSA-N 344.823 4.436 10 1 EICF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1c(O)ccc2ccccc12 963642703 ZEISWZCCAHMQBI-MCMMXHMISA-N 349.430 4.186 10 1 EICF COc1ccccc1NC1=NC(=O)/C(=C/c2ccc(F)c(F)c2)S1 95755398 ZLVYDGLNSKPLKW-DHDCSXOGSA-N 346.358 4.056 10 1 EICF O=C(COc1ccc(Cl)cc1)/N=N/c1c(O)[nH]c2ccccc12 103969951 NRWFBHPLPKULEP-FMQUCBEESA-N 329.743 4.216 10 1 EICF CC(C)c1c(O)c(O)c2c(c1O)C=C[C@H]1C(C)(C)CCC[C@@]21C(=O)O 2356462557 WXPCGMWMEZXVKW-YUNKPMOVSA-N 346.423 4.102 10 1 EICF CC[C@@]1(c2cc(C)ccc2O)NCCc2cc3cccc(OC)c3nc21 963036930 PRWYMUGIIZNGEI-QFIPXVFZSA-N 348.446 4.057 10 1 EICF Nc1ccc(Oc2ccc3nc(C(F)(F)C(F)F)[nH]c3c2)cc1 587089420 QUPUZEUOSCESGY-UHFFFAOYSA-N 325.265 4.294 10 1 EICF CCCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 64446473 IZTYSWNRFNVSEH-OAQYLSRUSA-N 345.446 4.198 10 1 EICF Cc1ccc(/N=N/c2c(N)nn3c(O)cc(-c4ccccc4)nc23)cc1 101474456 KIGHANJKBGICIZ-GHVJWSGMSA-N 344.378 4.408 10 1 EICF O=[N+]([O-])c1ccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)cc1 103189393 WXXQVMRKZRYKEC-UHFFFAOYSA-N 332.319 4.103 10 1 EICF COc1cccc([C@@H](c2c(O)ccc3ccccc23)N2CCCC2=O)c1 1772607402 HZRIQAMKNYZUFQ-QFIPXVFZSA-N 347.414 4.266 10 1 EICF Cn1c(O)c(/N=N/C(=O)Cc2c[nH]c3ccccc23)c2ccccc21 102836852 AMCKXLSYDOVVKO-QURGRASLSA-N 332.363 4.218 10 1 EICF C[C@@H]1OC(=O)c2c3c(c(O)c(O)c21)[C@@]1(C)CCCC(C)(C)[C@H]1CC3 2356694691 CABUHJOJYBAZEW-PCIORBNZSA-N 330.424 4.359 10 1 EICF CCCC(=O)N[C@H](c1cccc(F)c1)c1ccc2cccnc2c1O 223194 HGWRKWYGPFHYHZ-GOSISDBHSA-N 338.382 4.085 10 1 EICF CN1CCC(=C2c3ccccc3[C@@H]3COC[C@H]3c3ccccc32)CC1 169321208 FPDMIZXQOPBJGU-VXKWHMMOSA-N 331.459 4.425 10 1 EICF CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cc(Cl)ccc1O 95560075 HOQWHHJVANYRMW-INIZCTEOSA-N 349.217 4.397 10 1 EICF CCc1c(C(=O)NCCc2ccccc2)cc(C)n1-c1ccccc1 1772646620 BQJOLLFQTKCSOO-UHFFFAOYSA-N 332.447 4.321 10 1 EICF Cc1cc(N)c2c(c1)C(=O)C[C@](CN=[N+]=[N-])(c1ccc(Cl)cc1)O2 587376451 CZOCVSBOCNSSGG-KRWDZBQOSA-N 342.786 4.402 10 1 EICF COc1cc(/C=C/c2nc3cc4ccccc4cc3[nH]2)cc(O)c1O 587785215 JGOMBBGIEWKOSF-VOTSOKGWSA-N 332.359 4.306 10 1 EICF CCCC1=CC(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)O1 2356827565 FHRXKUMSUAQNOI-UHFFFAOYSA-N 325.320 4.479 10 1 EICF CCNCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O 1912679 XWBLHPDICBKAEX-UHFFFAOYSA-N 327.815 4.447 10 1 EICF in-vivo COc1ccccc1NCc1oc2c(c1C)C(=O)C(=O)c1ccccc1-2 169353741 DNHUUKHMDRUNQK-UHFFFAOYSA-N 347.370 4.255 10 1 EICF COc1cc([N+](=O)[O-])cc2c1N[C@@H]([C@H]1CC=CCC1)[C@@H]1CC=C[C@@H]21 169682999 PSPLPPYNGLDIRF-AZAGILFBSA-N 326.396 4.414 10 1 EICF CC(C)c1c(O)c(O)c2c(c1O)C=C[C@@H]1C(C)(C)CCC[C@@]21C(=O)O 2356462556 WXPCGMWMEZXVKW-ODXCJYRJSA-N 346.423 4.102 10 1 EICF O=C1[C@@H](Nc2ccccc2)c2ccccc2N1Cc1ccccc1O 621430239 PRJWTUJLJMQRHG-FQEVSTJZSA-N 330.387 4.092 10 1 EICF CCOc1ccc2c(c1)c(N=Nc1cccc(C(=O)O)c1)c(O)n2C 299812570 MWOGDAARLMVLEO-UHFFFAOYSA-N 339.351 4.396 10 1 EICF Cc1cc2c(cc1F)[C@](CN=[N+]=[N-])(c1ccc(Cl)cc1)NCC2 962093692 PPNRMUUBOOPYNC-KRWDZBQOSA-N 330.794 4.487 10 1 EICF O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1ccco1 13466563 YTFCZGSXKMFRFK-WUKNDPDISA-N 334.129 4.153 10 1 EICF Oc1ccccc1CNc1ncccc1-c1ccc2nccnc2c1 621430417 VXBQAQXSIOBJDK-UHFFFAOYSA-N 328.375 4.010 10 1 EICF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)n(C)c3cc(C)ccc13)O2 587392011 VIYOKBSLXSSCJE-LJQANCHMSA-N 334.419 4.392 10 1 EICF CC(C)=CCC[C@H](C)[C@@H]1c2cc(C(=O)O)c(O)c(O)c2[C@@H](C)C[C@@H]1O 2356703831 WELCNKRQSNXMDQ-GVAFMPQTSA-N 348.439 4.130 10 1 EICF CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(-c2ccc(N)cc2)n1 13474627 MHNDZIMLCDZXCD-UHFFFAOYSA-N 349.438 4.396 10 1 EICF CC=Cc1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1OC)[C@H](C)O2 2356498146 KGQWKAXLDWKONS-VOJFVSQTSA-N 328.364 4.041 10 1 EICF Oc1ccc2[nH]c(-c3cccc(F)c3)nc2c1CNCc1ccccc1 45230302 MOSFKFGUWJWHEX-UHFFFAOYSA-N 347.393 4.364 10 1 EICF COc1cccc(-c2c[nH]c3c(/N=N/Cc4ccncc4)ncnc23)c1 169685221 CNWAXLIIIPBNFH-OCOZRVBESA-N 344.378 4.312 10 1 EICF COc1cc(/C=C/c2nc3ccc4nc(C)ccc4c3[nH]2)cc(O)c1O 587786862 YKZLPNNWBQASBM-XBXARRHUSA-N 347.374 4.010 10 1 EICF COP(=O)(OC)[C@H](Nc1ccccc1)c1ccc(N(C)C)cc1 3092822 SAXMNCRWXBGHDE-KRWDZBQOSA-N 334.356 4.349 10 1 EICF O=C(/C=C/c1ccc(O)c(O)c1)N(c1ccccc1)c1ccccc1 49803177 IIOJZJBDRPUJOY-WYMLVPIESA-N 331.371 4.476 10 1 EICF Cc1csc(C2=NN[C@@H](c3ccc(N4CCCCC4)cc3)C2)c1 103223387 IPFFPHVGPXJGIS-QGZVFWFLSA-N 325.481 4.486 10 1 EICF O=C1Nc2c(sc3ccc(Cl)cc23)[C@@H](c2ccccc2O)N1 1857554669 DIYXGWBTAHQSOL-CYBMUJFWSA-N 330.796 4.485 10 1 EICF CCCCC[C@H]1CC(=O)c2cc(C(=[N+]=[N-])C(F)(F)F)ccc2O1 1772618988 WIQCMYDTVQMTEG-NSHDSACASA-N 326.318 4.182 10 1 EICF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CC(C)=O)(c2ccccc2O)N1 962944889 IFNXEOYCLXCMQG-NYHFZMIOSA-N 348.446 4.021 10 1 EICF Oc1cc(O)c(Cc2ccccc2)c(C=Cc2ccc(O)c(O)c2)c1 2356566788 UGUXUAIOUHJDFR-UHFFFAOYSA-N 334.371 4.270 10 1 EICF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)n(C)c3ccc(C)cc13)O2 587392269 YGBUCIGBSHRFNG-LJQANCHMSA-N 334.419 4.392 10 1 EICF Nc1nn2c(O)cc(-c3ccccc3)nc2c1/N=N\c1ccccc1 102722929 ZTNMGLZFDBALHQ-DQRAZIAOSA-N 330.351 4.100 10 1 EICF COc1ccc(C2C(=O)c3ccccc3C2=O)cc1OC1CCCC1 100810711 PPPSMBKLZYSSOC-UHFFFAOYSA-N 336.387 4.179 10 1 EICF COc1cc2c3c(c1)O[C@@H](c1c(C)n(C)c4cc(C)ccc14)[C@@H](C2)C3=O 587430655 KNZHPJOLFPRGAA-KSFYIVLOSA-N 347.414 4.292 10 1 EICF CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1cc(Cl)ccc1O 95558788 PERLAQKTYHZXIG-KRWDZBQOSA-N 328.799 4.052 10 1 EICF CC[C@]1(C)C[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586888399 ITUDCPKASRSXNP-LHSJRXKWSA-N 330.387 4.242 10 1 EICF CC(C)c1cc2c(c(O)c1O)[C@@]1(C(=O)O)CCCC(C)(C)[C@@H]1C=C2 13480772 FLIWYLVYBBWQTL-VBKZILBWSA-N 330.424 4.397 10 1 EICF biogenic Cc1cc2cc(C(=O)NC3CCCCC3)c(=O)oc2c2ccccc12 73158824 QNWRSOIUKSXZGV-UHFFFAOYSA-N 335.403 4.317 10 1 EICF Oc1ccc(-c2cccnc2)cc1CNC[C@@H]1C[C@H]2C=C[C@@H]1C21CC1 14882106 ZMQMQJGZQIIZDC-SXLOBPIMSA-N 332.447 4.146 10 1 EICF CN(CCC=C1c2ccccc2CCc2ccccc21)CCC(=O)O 1893057 XCHMXPQUYYLBMO-UHFFFAOYSA-N 335.447 4.014 10 1 EICF COc1cc(/C=C\c2nc3cc(Cl)cc(C)c3[nH]2)cc(O)c1O 587785291 KQMVMVFDKZIQAX-ARJAWSKDSA-N 330.771 4.115 10 1 EICF COc1cc(/C=C\c2nc3ccc(Cl)c(C)c3[nH]2)cc(O)c1O 587786530 VDINGCOPKZFXCB-UTCJRWHESA-N 330.771 4.115 10 1 EICF CCOc1cccc(NCCCn2c3c(c4ccccc42)CCNC3)c1 1857554720 MUAXLTDRWKVJRA-UHFFFAOYSA-N 349.478 4.188 10 1 EICF Cc1ccc([C@@H](c2c(O)ccc3ccccc23)N2CCC(O)CC2)cc1 72178816 CMJKNGCMPJPFQV-QHCPKHFHSA-N 347.458 4.400 10 1 EICF [N-]=[N+]=NCC(=O)Nc1cccc(-c2cc3c4c(cccc4n2)CC3)c1 587210801 IIGPHODSVBBJAM-UHFFFAOYSA-N 329.363 4.249 10 1 EICF COc1cc(/C=C/c2nc3cc(C)c(Cl)cc3[nH]2)cc(O)c1O 587786495 URPXGWLCPCOIPN-ONEGZZNKSA-N 330.771 4.115 10 1 EICF Cc1ccc2[nH]c(O)c(N=NC(=S)Nc3cccc(O)c3)c2c1 617989186 VHPDCFMMWJGVAB-UHFFFAOYSA-N 326.381 4.368 10 1 EICF CC(C)=CCc1cc([C@@H]2CCc3ccc(O)cc3O2)cc(O)c1O 13860545 MSTNVJDHQJXVFI-SFHVURJKSA-N 326.392 4.378 10 1 EICF biogenic CSC(=S)NCc1cn(C(=O)OC(C)(C)C)c2ccccc12 38317633 HPNLLVGOMKBLEH-UHFFFAOYSA-N 336.482 4.162 10 1 EICF O=C(O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1O 39194350 UHVCMHJVYBDQGS-UHFFFAOYSA-N 333.387 4.427 10 1 EICF Cc1[nH]c2ccccc2c1C(=O)C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279680 NZOXYNIGUFJIOI-UHFFFAOYSA-N 348.314 4.196 10 1 EICF COc1ccc2c(c1)N(C)C=CC2=Cc1sc2ccccc2[n+]1C 1857563584 XSDOTJCKJREAAC-UHFFFAOYSA-N 335.452 4.239 10 1 EICF CN(C)CCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12 5957576 GQVGLJVXOMJDPG-UHFFFAOYSA-N 338.411 4.050 10 1 EICF Cn1c(O)c(N=NC(=O)Cc2c[nH]c3ccccc23)c2ccccc21 299813593 AMCKXLSYDOVVKO-UHFFFAOYSA-N 332.363 4.218 10 1 EICF CC(C)=CCc1c(O)ccc2c1O[C@@H](c1ccc(O)c(O)c1)CC2=O 13660196 ADFZZQAJJGHYDR-LJQANCHMSA-N 340.375 4.019 10 3 EICF biogenic Nc1nn(-c2ccc(Cl)cc2)c(N)c1/N=N/c1ccc(F)cc1 98081982 IYSVGQYUWQIVNQ-QZQOTICOSA-N 330.754 4.245 10 1 EICF FC(F)(F)c1ccc(CSC(=S)NCc2ccncc2)cc1 169327312 WGKGGJYXZGZPEV-UHFFFAOYSA-N 342.411 4.408 10 1 EICF CC1(C)CCC[C@]2(C)c3c(O)c(O)c4ccoc(=O)c4c3CC[C@@H]12 13483191 HHVTYVRGZBQDQH-RBZFPXEDSA-N 328.408 4.234 10 1 EICF NCCCCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12 84711073 ISFDAJHEOIGHQL-UHFFFAOYSA-N 338.411 4.227 10 1 EICF COc1ccc(Cl)c2c1CCN[C@H]2c1cc(Cl)cc(C)c1O 963260076 VYAZCHIPJRVDAY-INIZCTEOSA-N 338.234 4.251 10 1 EICF Cc1ccccc1-c1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O 66078439 QVXHINYXGZQZKJ-UHFFFAOYSA-N 338.366 4.314 10 1 EICF C[n+]1c2ccccc2c(Nc2ccccc2)c2cc([N+](=O)[O-])ccc21 55764333 CNWOLTPGZURGQH-UHFFFAOYSA-O 330.367 4.469 10 1 EICF CCn1ccc2ccc(-c3cnc(N)nc3-c3ccccc3O)cc21 71318648 BMWVDSZLMSPFPM-UHFFFAOYSA-N 330.391 4.073 10 1 EICF Cc1ccc(/N=N\c2c(N)nn3c(O)cc(-c4ccccc4)nc23)cc1 102325621 KIGHANJKBGICIZ-FCQUAONHSA-N 344.378 4.408 10 1 EICF O=C(c1cc(O)c(O)c([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1 27754989 AJSFOIALXZRLNG-UHFFFAOYSA-N 349.342 4.021 10 1 EICF Oc1ccc(-c2ccc(C3=NN=C4c5ccc(O)cc5C[C@H]34)cc2)cc1 89469223 XTUFLRUKPLHOPJ-HXUWFJFHSA-N 340.382 4.144 10 1 EICF CCCN(CCC)[C@@H]1CCc2cc(F)c3c(c(C=O)cn3C)c2C1 13741704 JYSLVWOAWZHHQD-MRXNPFEDSA-N 330.447 4.109 10 1 EICF CCCN(CCC)Cc1oc2c(c1C)C(=O)C(=O)c1ccccc1-2 169353274 QKVGGXHKPBGZFL-UHFFFAOYSA-N 325.408 4.256 10 1 EICF C/C=C/c1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1OC)[C@@H](C)O2 13463114 KGQWKAXLDWKONS-ILIUCWEBSA-N 328.364 4.041 10 1 EICF biogenic,in-vitro CC(=O)N[C@@H](c1c(O)ccc2ccccc12)c1c[nH]c2ccccc12 98082296 RFITULLQMVLNLL-OAQYLSRUSA-N 330.387 4.252 10 1 EICF Cc1cc(O)c(C2=NN[C@@H](c3ccc(N(C)C)cc3)C2)c(C)c1Cl 299856180 CHKSAMVTQBAYLG-OAHLLOKOSA-N 343.858 4.167 10 1 EICF Oc1cc([C@H]2NCCc3c(Cl)cc(Cl)cc32)cc(Cl)c1O 963108220 NBQUDYFTNZZRDG-CQSZACIVSA-N 344.625 4.293 10 1 EICF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)n(C)c3ccc(C)cc13)O2 587392268 YGBUCIGBSHRFNG-IBGZPJMESA-N 334.419 4.392 10 1 EICF Cc1cccc(-c2c(O)c(O)cc3c2CCNC[C@@H]3c2ccccc2)c1 40940285 ZSUKCRFJZHRYFD-HXUWFJFHSA-N 345.442 4.351 10 1 EICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCN=[N+]=[N-])N1 587746100 LIHDQLYLMYMTJL-ISVAXAHUSA-N 327.201 4.254 10 1 EICF CCOc1ccc(/N=N\c2cc(OC)c(OC)c(OC)c2)cc1O 1857628958 QZDBRHWTRMODDO-HNENSFHCSA-N 332.356 4.232 10 1 EICF COc1cc2c(cc1OC)[C@@H](c1cc(Cl)ccc1O)N(C)[C@@H](C)C2 962628053 NZHUZORWEDTGKE-WLRWDXFRSA-N 347.842 4.029 10 1 EICF Cc1ccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 45389263 MRHQJLSJDVEZQP-UHFFFAOYSA-N 338.366 4.314 10 1 EICF in-vivo CC(C)c1cc2c(c(O)c1O)[C@]1(C(=O)O)CCCC(C)(C)[C@@H]1C=C2 13480771 FLIWYLVYBBWQTL-XOBRGWDASA-N 330.424 4.397 10 1 EICF biogenic COc1cc(/C=C/c2nc3ccc4c(c3[nH]2)CCCC4)cc(O)c1O 587785203 JFSPYEMMWBLOQS-RMKNXTFCSA-N 336.391 4.032 10 1 EICF Cc1c(C)c(O)c([C@H]2c3ccc(F)cc3C[C@H]3CCCN32)c(C)c1O 963113305 SVZMXDKYZYQJGC-VQIMIIECSA-N 341.426 4.272 10 1 EICF COc1c(O)c2ccccc2c2oc3c(c12)C(=O)c1ccccc1C3=O 13375526 JQFHQCMGGLBEJC-UHFFFAOYSA-N 344.322 4.076 10 1 EICF biogenic COc1ccc2cc(O)c(CNCc3ccc(Cl)cc3)cc2c1 6484992 YGSRAAHMODIOAE-UHFFFAOYSA-N 327.811 4.497 10 1 EICF O=C(N=Nc1c(O)[nH]c2ccccc12)c1cc(-c2ccccc2)[nH]n1 617960319 IVNFAHMSWYOFEE-UHFFFAOYSA-N 331.335 4.188 10 1 EICF CCOC(=O)N1N=C(c2ccccc2O)C[C@H]1c1ccc(Cl)cc1 96937642 ATBZGBKKYVKDCY-INIZCTEOSA-N 344.798 4.353 10 1 EICF CCCCCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 13762026 XNVUFMZAHXMTCP-OXJNMPFZSA-N 343.492 4.442 10 1 EICF Oc1c([C@H]2NCCc3nc4ccccn4c32)cc(Cl)c2ccccc12 962980101 BQAHHUVKSHYYBZ-GOSISDBHSA-N 349.821 4.082 10 1 EICF CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cc(Cl)ccc1O 95560076 HOQWHHJVANYRMW-MRXNPFEDSA-N 349.217 4.397 10 1 EICF CC(C)=CCc1c(O)c(O)cc2c1O[C@H](c1ccc(O)cc1)CC2=O 1772584865 CEJOBBHLDNIWBH-SFHVURJKSA-N 340.375 4.019 10 1 EICF Oc1ccc(C/N=N/c2ccnc3cc(Cl)ccc23)c(O)c1O 169693982 OAXIYQTYOKEBBF-FMQUCBEESA-N 329.743 4.289 10 1 EICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCN=[N+]=[N-])N1 587746098 LIHDQLYLMYMTJL-AMIZOPFISA-N 327.201 4.254 10 1 EICF Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)c(F)c1 3814553 DUEHBNYPDIDYLL-UHFFFAOYSA-N 347.386 4.134 10 1 EICF O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCCC3)ccc1O 34053520 NCRHSRBOWZYFOW-UHFFFAOYSA-N 333.387 4.427 10 1 EICF COc1cccc2c1N(C)C=CC2=Cc1sc2ccccc2[n+]1C 1857543978 JEYHNLDNMMMEBG-UHFFFAOYSA-N 335.452 4.239 10 1 EICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cnccc3[nH]1)[C@H]1CC=C[C@@H]21 587277434 VWQWGZKOCUMIBK-VBHSOAQHSA-N 347.378 4.001 10 1 EICF CN(C)CCCNc1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1 45299222 DSPMVCCCYHRWPL-FMQUCBEESA-N 327.388 4.374 10 1 EICF Cc1cc2c(nn1)-c1cc(OCc3cccc(Cl)c3)ccc1C2=O 73388015 BFAXXNJWSVCIKV-UHFFFAOYSA-N 336.778 4.229 10 1 EICF COc1cc(/N=N\c2ccc(Br)cc2)cc(C=O)c1O 3899438 RLOPGVGJLPHKFW-MSUUIHNZSA-N 335.157 4.391 10 1 EICF COc1ccc(Br)cc1C/N=N/c1cccc(C(=O)O)c1 169688306 KBGUCZJAXFZJLP-ISLYRVAYSA-N 349.184 4.440 10 1 EICF CCOC(=O)c1c(O)csc1Nc1ccc(C(F)(F)F)cc1 169730444 SXQPDHVASUORMK-UHFFFAOYSA-N 331.315 4.393 10 1 EICF CN(C)CCCN(C)c1ccc(OC23CC4CC(CC(C4)C2)C3)cc1 39239948 ICVPWCKRXLGEQE-UHFFFAOYSA-N 342.527 4.422 10 1 EICF CN(C)c1ccc(/C=C2\C(=O)N(c3ccncc3)c3ccccc32)cc1 474606811 HWVXPGHGJNHQJM-HKWRFOASSA-N 341.414 4.367 10 1 EICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(C)(C)N=[N+]=[N-])N1 587743608 DUQWMTGFGXZQEN-XLKFXECMSA-N 341.228 4.427 10 1 EICF COc1cc(OC)cc([C@@H]2CC(c3c(O)ccc4ccccc34)=NN2)c1 96938888 YVTJUCJBZWISKD-SFHVURJKSA-N 348.402 4.001 10 1 EICF COc1ccc([C@@H]2CC(c3ccc4ccccc4c3O)=NN2)c(OC)c1 96938896 ZCKKVHSULJQUQN-SFHVURJKSA-N 348.402 4.001 10 1 EICF CC(=O)N1N=C(c2cc(C)ccc2O)C[C@@H]1c1cccc(Cl)c1 6522316 RKUPKGFKRMZJPM-QGZVFWFLSA-N 328.799 4.052 10 1 EICF CC(C)n1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 64446814 CKIUXVHNAJLTKY-OAQYLSRUSA-N 345.446 4.369 10 1 EICF COc1ccc(C[C@H](C)[C@H](C)Cc2ccc(O)c(O)c2)cc1OC 38223524 ICZUIJGVBIFLAX-KGLIPLIRSA-N 330.424 4.172 10 1 EICF CC(C)(C)C1CCC(C[C@@H]2C(=O)C(=O)c3ccccc3C2=O)CC1 198903921 OMMKCJLAGTXGLC-KVULBXGLSA-N 326.436 4.494 10 1 EICF O=C(O)c1cc(N=Nc2c(O)ccc3ccccc23)cc(C(=O)O)c1 253916474 CXQUYNPLPYNRQI-UHFFFAOYSA-N 336.303 4.357 10 1 EICF CN1/C(=C/C=C/c2oc3ccccc3[n+]2C)Oc2ccc(Cl)cc21 169323876 HJJSSGNJXQSUEW-UHFFFAOYSA-N 339.802 4.294 10 1 EICF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CC(C)=O)(c2ccccc2O)N1 962944886 IFNXEOYCLXCMQG-IVZQSRNASA-N 348.446 4.021 10 1 EICF O=c1c([N+](=O)[O-])cc(Cl)c[c-]1C/N=N/c1nc2ccccc2s1 169689503 KJVFPZXBLNMUTI-FBMGVBCBSA-N 347.763 4.221 10 1 EICF Oc1cc(O)cc(/C=C/c2ccc(NCc3cccc(O)c3O)cc2)c1 96926961 DIXXIOPKPJGRTI-SNAWJCMRSA-N 349.386 4.292 10 1 EICF O=C(CSCc1ccccc1)/N=N/c1c(O)[nH]c2ccccc12 101694439 MWSLWLKRZZOJFC-FMQUCBEESA-N 325.393 4.417 10 1 EICF COc1ccc(C2=NC(=O)/C(=C/c3ccc(Cl)cc3)S2)cc1 41105231 AXGKFIADIVDXKP-GDNBJRDFSA-N 329.808 4.410 10 1 EICF Oc1ccc(-c2cn(Cc3ccc(-c4ccccc4)cc3)nn2)cc1O 473128573 CIKAZNHPMQJPCD-UHFFFAOYSA-N 343.386 4.072 10 1 EICF Cc1c(C)c(O)c([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c(C)c1O 963113301 SVZMXDKYZYQJGC-QFBILLFUSA-N 341.426 4.272 10 1 EICF CCOc1cccc(-c2nc(CN(C)c3ccc(OC)cc3)co2)c1 72100846 CHVLXHSYLDTMKU-UHFFFAOYSA-N 338.407 4.385 10 1 EICF O=c1[nH]n2c(C(F)(F)F)cc(C3CC3)nc2c1/N=N\c1ccccc1 102651417 WDELGAYTDJGYPE-DQRAZIAOSA-N 347.300 4.334 10 1 EICF CCCCNc1ncc(-c2ccccn2)c(Nc2ccc(N)cc2)n1 103242264 OIVLGMGZZCFPCM-UHFFFAOYSA-N 334.427 4.076 10 1 EICF COc1cc(OC)cc([C@H]2CC(c3c(O)ccc4ccccc34)=NN2)c1 96938889 YVTJUCJBZWISKD-GOSISDBHSA-N 348.402 4.001 10 1 EICF COc1cc(OC)cc([C@H]2CC(c3ccc4ccccc4c3O)=NN2)c1 96938899 GBMFIEKYKLAQDA-LJQANCHMSA-N 348.402 4.001 10 1 EICF Oc1cc(O)c(Cc2ccccc2)c(/C=C/c2ccc(O)c(O)c2)c1 238745156 UGUXUAIOUHJDFR-SOFGYWHQSA-N 334.371 4.270 10 1 EICF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CC(C)=O)(c2ccccc2O)N1 962944892 IFNXEOYCLXCMQG-OYHNWAKOSA-N 348.446 4.021 10 1 EICF O=[N+]([O-])c1cnc(Sc2nc3cc(Cl)c(Cl)cc3[nH]2)s1 40379277 NIMBNTDNGRKRFM-UHFFFAOYSA-N 347.208 4.386 10 1 EICF CN(C)c1ccc(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)nc1 587194541 IXKIMIKFNFKLOT-UHFFFAOYSA-N 345.406 4.065 10 1 EICF CC(C)c1cc2c(c(O)c1O)[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1CC2 13480856 QOCOQHXHEBGZNB-XMCHAPAWSA-N 332.440 4.316 10 1 EICF biogenic Nc1ccc(Oc2ccc3nc(CCc4cccc(O)c4)[nH]c3c2)cc1 586896736 WPPLLPXJZOUZDM-UHFFFAOYSA-N 345.402 4.428 10 1 EICF O=[N+]([O-])c1ccc(/N=N/c2c(O)[nH]c3ccccc23)c([N+](=O)[O-])c1 103942092 PLKSEHVSFQIVNZ-WUKNDPDISA-N 327.256 4.105 10 1 EICF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCc3ccc(C)c(O)c32)N1 962943402 GUGJEQRNTGMQPM-QRQCRPRQSA-N 332.447 4.296 10 1 EICF COc1cccc2c(-c3ccc(O)c4c3CC(C)(C)NC4)ccc(O)c12 64453847 RURTYQYZQNZUSP-UHFFFAOYSA-N 349.430 4.351 10 1 EICF CC(C)N(Cc1cnc[nH]1)c1ccc(OC(F)(F)F)c(Cl)c1 96177488 LHNXKOOJEQWVFE-UHFFFAOYSA-N 333.741 4.377 10 1 EICF S=C(NCc1cccnc1)SCCc1nc2ccccc2s1 653708046 QBOZACVXONDYHL-UHFFFAOYSA-N 345.518 4.042 10 1 EICF COc1cccc(-c2[nH][nH]c(=O)c2/N=N/c2ccccc2Cl)c1 169723211 HKKCWVZZNLSENI-CZIZESTLSA-N 328.759 4.447 10 1 EICF Cc1c(Br)cnc2[nH]c(CCCCCCN=[N+]=[N-])nc12 587259650 GXHMWDAXKYUJCB-UHFFFAOYSA-N 337.225 4.442 10 1 EICF CO[C@H]1O[C@H]2CC[C@@]13c1c(cc(C(C)C)c(O)c1O)CC[C@H]3C2(C)C 1772636784 ATOGZGGDMZWLLK-PVLSJSCWSA-N 346.467 4.213 10 1 EICF Cc1cccc2c3c(ccc12)-c1occ(CN2CCCC2)c1C(=O)C3=O 1772631728 FUGGCBIXQVFDAE-UHFFFAOYSA-N 345.398 4.383 10 1 EICF CS(C)=C(C(=O)CCCc1ccccc1)C(=O)Cc1ccccc1 45484907 QGPCQBPBHXPMDU-UHFFFAOYSA-N 340.488 4.091 10 1 EICF O=C1Cc2c(n(-c3ccccc3)c3ccccc23)-c2ncccc2N1 29053525 XULOFXLOWMKSLI-UHFFFAOYSA-N 325.371 4.187 10 1 EICF O=[S@](/C=C/c1ccc(O)c(O)c1)Cc1ccc(C(F)(F)F)cc1 169337050 DBUVUORMXHCMTJ-NDEDVSTASA-N 342.338 4.036 10 1 EICF O=C(NCC1CC1)c1c(O)csc1Nc1ccc2ccccc2c1 169730408 YPGTYNZNYABUQM-UHFFFAOYSA-N 338.432 4.490 10 1 EICF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587963648 POZXDOHFNFQUBZ-QWHCGFSZSA-N 335.407 4.095 10 1 EICF C[C@@H]1C[C@@H]1C(=O)OCC(=O)Nc1ccc(/N=N\c2ccccc2)cc1 102403788 WYWKLODTCMKACH-UIDXNMEESA-N 337.379 4.240 10 1 EICF COc1cccc([C@@H]2CC(c3ccc4ccccc4c3O)=NN2)c1OC 96938890 WLFUBRZSKYOQLN-SFHVURJKSA-N 348.402 4.001 10 1 EICF COc1c(C)c2c(c3c1-c1cc(O)c(O)cc1CC3)C=CC(C)(C)O2 14822657 JOYFIWRLFXZVBK-UHFFFAOYSA-N 338.403 4.365 10 1 EICF biogenic Cc1ccsc1C1=NN[C@H](c2ccc(N3CCCCC3)cc2)C1 103223378 XORUIRGLYIGKKD-KRWDZBQOSA-N 325.481 4.486 10 1 EICF COc1cc(-c2ccccc2)c(OC)c(O)c1-c1ccc(O)c(O)c1 72175830 QVPSTGJFYRHFSU-UHFFFAOYSA-N 338.359 4.155 10 1 EICF in-vitro CCOC(=O)C[C@@H](/N=N/c1ncnc2ccccc12)c1ccccc1 169691589 UPWYYZJTJSUEAU-DUPNKOKHSA-N 334.379 4.408 10 1 EICF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2c(O)cccc2OC)N1 962941995 FLTNWPOEFHBYAV-YEJXKQKISA-N 336.435 4.070 10 1 EICF Oc1cc(O)c([C@@H]2NCCc3c(Cl)cc(Cl)cc32)cc1Cl 963111670 RJYNBJZNBPJBER-OAHLLOKOSA-N 344.625 4.293 10 1 EICF COc1ccc(OC)c(-c2ccc(O)c(CN3CCC[C@H](C)C3)c2)c1 14884466 GDKAGLKIRSSLMR-HNNXBMFYSA-N 341.451 4.308 10 1 EICF COC(=O)[C@]12CCCC(C)(C)[C@H]1CCc1cc(C(C)C)c(O)c(O)c12 38822824 IIJLVJMZYPZQLW-QVKFZJNVSA-N 346.467 4.405 10 1 EICF biogenic CCC[C@H](Sc1nc2ccccc2[nH]1)C(=O)c1ccc(O)c(O)c1 13782390 HZZDLVQRZHQULX-INIZCTEOSA-N 342.420 4.118 10 1 EICF Oc1ccc(-c2cccnc2)cc1CNC[C@@H]1C[C@H]2C=C[C@H]1C21CC1 253880685 ZMQMQJGZQIIZDC-DFQSSKMNSA-N 332.447 4.146 10 1 EICF Cn1c(O)c(/N=N\C(=O)Cc2c[nH]c3ccccc23)c2ccccc21 17424742 AMCKXLSYDOVVKO-DQRAZIAOSA-N 332.363 4.218 10 1 EICF Cc1csc(C2=NN[C@H](c3ccc(N4CCCCC4)cc3)C2)c1 103223385 IPFFPHVGPXJGIS-KRWDZBQOSA-N 325.481 4.486 10 1 EICF O=C(O)c1cccc2c(-c3ccncn3)c(-c3ccc(F)cc3)[nH]c12 587637331 BDPYQRSIRVXMMT-UHFFFAOYSA-N 333.322 4.129 10 1 EICF CC=Cc1cc(OC)c2c(c1)[C@H](C)[C@H](c1cc(O)c(O)c(OC)c1)O2 2356669921 SMOZKDIFJUIAKQ-JEOXALJRSA-N 342.391 4.385 10 1 EICF Cc1occc1C(=O)/N=N/c1c(O)[nH]c2ccc(Br)cc12 18142287 XTKGCMHVKLNTCW-ISLYRVAYSA-N 348.156 4.462 10 1 EICF C[C@@H]1OC(=O)c2c3c(c(O)c(O)c21)[C@@]1(C)CCCC(C)(C)[C@@H]1CC3 2356694692 CABUHJOJYBAZEW-QARYCYADSA-N 330.424 4.359 10 1 EICF COc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1O)N(C)[C@@H](C)C2 962570867 OBRABBMMTWCQAG-WLRWDXFRSA-N 347.842 4.029 10 1 EICF Nc1ccc(Oc2ccc3nc(-c4cc(CO)ccc4F)[nH]c3c2)cc1 587140592 OCUOJJMQQHJTKN-UHFFFAOYSA-N 349.365 4.236 10 1 EICF COc1cccc2c1C(=Cc1sc3ccccc3[n+]1C)C=CN2C 1857617161 MWGJFIUFELWVKQ-UHFFFAOYSA-N 335.452 4.239 10 1 EICF COc1ccc2c(c1)C(=Cc1sc3ccccc3[n+]1C)C=CN2C 1857534202 KSOMCIPRULPWNV-UHFFFAOYSA-N 335.452 4.239 10 1 EICF O=C(N=Nc1c(O)[nH]c2ccc(Br)cc12)c1ccco1 254096641 YTFCZGSXKMFRFK-UHFFFAOYSA-N 334.129 4.153 10 1 EICF CC(C)n1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 64446816 CKIUXVHNAJLTKY-NRFANRHFSA-N 345.446 4.369 10 1 EICF Oc1cc(O)c2c(c1)CCN[C@@H]2Cc1ccc(-c2ccccc2)cc1 103173751 MAZGSMNKVNHWMZ-HXUWFJFHSA-N 331.415 4.194 10 1 EICF CN(Cc1cc(-c2ccccc2)ccc1O)C[C@@H](O)c1ccccc1 45314563 LHEJQBYHVPAHNB-JOCHJYFZSA-N 333.431 4.225 10 1 EICF COc1ccc(NC(=S)/N=N/c2c(O)[nH]c3ccccc23)cc1 101895531 RRCQAXBOKBNIDS-FMQUCBEESA-N 326.381 4.363 10 1 EICF Nc1ccc(CCCN[C@H]2CCC[C@H]2CCCCCCC(=O)O)cc1 28003448 BQFDXUXOJXXNFM-QUCCMNQESA-N 346.515 4.385 10 1 EICF O=C(C(=O)c1cn(Cc2ccccc2)c2ccccc12)c1ccco1 96934962 DOBBIMQEYLMEOG-UHFFFAOYSA-N 329.355 4.348 10 1 EICF Cc1ccc2ccc([C@H](Nc3ncccn3)c3ccccc3)c(O)c2n1 1772646943 KLYDJIULDUZALL-GOSISDBHSA-N 342.402 4.240 10 1 EICF COc1cccc(-c2ccc(O)c(CNCC3CCCCC3)c2)n1 12247337 DNHNEDWUKGTOQQ-UHFFFAOYSA-N 326.440 4.133 10 1 EICF CCCOc1cccc2c1C(=O)c1c(OCCC)cc(C)cc1C2=O 169343708 RHAABIOYTWCKLI-UHFFFAOYSA-N 338.403 4.348 10 1 EICF Cc1cc2c(cc1F)[C@@](CN=[N+]=[N-])(c1ccc(Cl)cc1)NCC2 962093697 PPNRMUUBOOPYNC-QGZVFWFLSA-N 330.794 4.487 10 1 EICF O=C(N=Nc1c(O)[nH]c2ccc(Cl)cc12)c1ccc2c(c1)OCO2 617960128 FTFGLKXLDKFAAM-UHFFFAOYSA-N 343.726 4.180 10 1 EICF CCN(CC)c1ccc(/C=C/c2ccc3ccccc3[n+]2C)c(OC)n1 1772573785 LFBXOORKQOCIDD-UHFFFAOYSA-N 348.470 4.085 10 1 EICF O=C(COc1cccc(Cl)c1)N=Nc1c(O)[nH]c2ccccc12 617960136 BKZSUNBLLVQEHQ-UHFFFAOYSA-N 329.743 4.216 10 1 EICF Oc1cc2c(c(-c3ccc(F)cc3)c1O)CCNC[C@@H]2c1ccccc1 40940031 BHODZQVQJXYVJG-LJQANCHMSA-N 349.405 4.182 10 1 EICF COc1ccc([C@H]2CC(c3c(O)cc(C)c(Cl)c3C)=NN2)cc1 299866692 WFDCDWSZFYPXBT-CQSZACIVSA-N 330.815 4.110 10 1 EICF O=C(O)c1[nH]c2cc(O)c(O)cc2c1-c1cc(Cl)cc(Cl)c1 84733173 XAOPRVDPOFFIAN-UHFFFAOYSA-N 338.146 4.251 10 1 EICF Cc1ccnc2c1CCN[C@]2(C)c1cc(Cl)c2ccccc2c1O 963071042 IWNUPGSVVVMWFG-HXUWFJFHSA-N 338.838 4.311 10 1 EICF CO[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@]2(C)CCCC(C)(C)[C@H]2[C@H]1O 2356420781 NAFCRWTYYJXRIX-PXCRPINLSA-N 348.483 4.367 10 1 EICF CC(C)c1cc2c(c(O)c1O)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC2=O 14774383 WDKBIUNFLNEEEH-VLIAUNLRSA-N 330.424 4.071 10 1 EICF biogenic CN1Cc2c(-c3cccnc3)[nH]c3nccc(c23)-c2cc(F)ccc21 1772599538 KLQYIUYHOZFZEP-UHFFFAOYSA-N 330.366 4.381 10 1 EICF CNc1ccc(Nc2c3ccc(N)cc3nc3cc(N)ccc23)cc1 29244795 QRMAHCMNZQCJAD-UHFFFAOYSA-N 329.407 4.338 10 1 EICF CCCCc1nc(Cl)c(/C=C2/C(=O)N(c3ccccc3)N=C2C)[nH]1 95563968 ZXXJKDIMVOSMLP-SDNWHVSQSA-N 342.830 4.212 10 1 EICF CCN(CC)c1ccc(/C=C2\CCCN=C2c2cccnc2)c(O)c1 49807990 LTIOVKFOJFTNGQ-GHRIWEEISA-N 335.451 4.300 10 1 EICF CC[C@@H](C)NCc1c(O)ccc2c(CN[C@H](C)CC)c(O)ccc12 45195813 XVYDBDFIIHNERZ-ZIAGYGMSSA-N 330.472 4.027 10 1 EICF CN1CCC(=C2c3ccccc3[C@H]3COC[C@@H]3c3ccccc32)CC1 169321206 FPDMIZXQOPBJGU-FGZHOGPDSA-N 331.459 4.425 10 1 EICF COc1cc(C)c([C@H]2c3cc(OC)ccc3CCN2C(C)C)c(O)c1 962093122 SLAMPHNHMYCYDW-OAQYLSRUSA-N 341.451 4.074 10 1 EICF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1cc(C)c(O)c(O)c1 963244311 WBELNDZAHQQEJE-BTYIYWSLSA-N 325.452 4.326 10 1 EICF CC(=O)c1ccc(Sc2ncc([C@@]3(C)COC(C)(C)O3)s2)cc1 13743631 DENAXACKAGDVKJ-QGZVFWFLSA-N 349.477 4.495 10 1 EICF COc1cccc(-c2[nH][nH]c(=O)c2/N=N/c2cccc(Cl)c2)c1 169723225 VVNWSAIMEZFRIF-CZIZESTLSA-N 328.759 4.447 10 1 EICF O=S(=O)(O)c1cccc(/N=N\c2c(O)ccc3ccccc23)c1 13130155 SZZYVRCXNNQFKZ-ZCXUNETKSA-N 328.349 4.208 10 1 EICF CC(=O)N[C@H](c1cccs1)c1cc(Cl)c2ccccc2c1O 36380895 GLWRKEARHQYZAI-INIZCTEOSA-N 331.824 4.486 10 3 EICF Cc1c(C)c2c(c3c1O[C@@H](c1ccc(O)c(O)c1)C3)CCC(C)(C)O2 28566903 DMSZPHAMWWHOIZ-GOSISDBHSA-N 340.419 4.494 10 1 EICF O=C(/N=N\c1c(O)[nH]c2ccccc12)c1cc(-c2ccc(F)cc2)[nH]n1 96901165 MPHARLRIAAOLRH-VHXPQNKSSA-N 349.325 4.327 10 1 EICF Cc1cc2c3ccccc3n(C)c2c2c1C(=O)c1ccccc1C2=O 5553010 JIQCZCPEXMBTSV-UHFFFAOYSA-N 325.367 4.415 10 1 EICF O=C1Cc2c3cn(Cc4ccccc4)ccc-3nc2-c2ccccc2N1 169724837 OYRDVNBEBYNKPM-UHFFFAOYSA-N 339.398 4.198 10 1 EICF Cc1oc2c(CC(C)C)c(O)c(O)c(O)c2c(=O)c1-c1ccccc1 28656072 VOKVHQWUUIPROY-UHFFFAOYSA-N 340.375 4.084 10 1 EICF COc1ccc(C2=NC(=O)/C(=C/c3cc4ccccc4[nH]3)S2)cc1 84757140 HRIYEJMIVKQRHZ-BOPFTXTBSA-N 334.400 4.238 10 1 EICF Cc1c(-c2ccccc2)n[nH]c1C(=O)/N=N/c1c(O)[nH]c2ccccc12 13122209 WAOZNFYGAINALA-WCWDXBQESA-N 345.362 4.496 10 1 EICF O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3ccccc3F)nc21 66065909 HBMPNWGFWNUSJV-UHFFFAOYSA-N 342.329 4.144 10 1 EICF CCCN1CCc2cc(SC)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 29041611 XVYZJYSSEQUGFX-MRXNPFEDSA-N 341.476 4.352 10 1 EICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCN=[N+]=[N-])N1 587744026 FWKLTNBJIQZABU-LDYMZIIASA-N 327.201 4.254 10 1 EICF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cc(OC)c(OC)cc1O 963244358 WGSLZMAMOLVYLJ-LHSJRXKWSA-N 341.451 4.155 10 1 EICF Cc1ccccc1/N=N/c1cc(S(=O)(=O)O)c2ccccc2c1N 4707768 PIWJSAOBFMHEAW-FMQUCBEESA-N 341.392 4.393 10 1 EICF CCCCCc1cc(O)c2c(c1)SC(C)(C)C[C@H]2NC[C@@H](C)O 26725978 CNBLMZBJUNSAOJ-UKRRQHHQSA-N 337.529 4.411 10 1 EICF [N-]=[N+]=NCCCCCCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 587260281 PUYKGLPDFVZXPC-UHFFFAOYSA-N 327.367 4.301 10 1 EICF COc1cc(/C=C\c2nc3ccc4nc(C)ccc4c3[nH]2)cc(O)c1O 587786875 YKZLPNNWBQASBM-YWEYNIOJSA-N 347.374 4.010 10 1 EICF COc1c(C)c(O)cc(CCc2cccc(O)c2O)c1CC=C(C)C 14679203 UOIFCEAENREHJA-UHFFFAOYSA-N 342.435 4.414 10 1 EICF biogenic,in-vitro CCn1c(O)c(/N=N\C(=O)CNc2cccc(C)c2)c2ccccc21 102662409 LIQLLCCMUFJUIC-DQRAZIAOSA-N 336.395 4.398 10 1 EICF COc1cccc(-c2ccc(O)c(CN(C)C3CCCCC3)c2)n1 11786184 TVBHQIJOEUTJHG-UHFFFAOYSA-N 326.440 4.227 10 1 EICF COc1ccc([C@@H]2Oc3ccccc3-n3c(CN(C)C)ccc32)cc1 13651976 IIIHJSIXKBKHLC-NRFANRHFSA-N 334.419 4.029 10 1 EICF CCC(C)(C)c1ccc(O)c([C@@]2(C)NCCc3ccc(O)cc32)c1 963340036 FFVXKPNBZYDIBI-NRFANRHFSA-N 325.452 4.195 10 1 EICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccnc3[nH]1)[C@@H]1CC=C[C@@H]21 587275826 GVRSEGMWMRUKGX-XNJGSVPQSA-N 347.378 4.001 10 1 EICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(C)(C)N=[N+]=[N-])N1 587744593 HMLHEHCPBRUPFQ-RTHLEPHNSA-N 341.228 4.427 10 1 EICF COc1cc2[nH]c(Cl)c(/C=C3/C(=O)Nc4ccccc43)c2cc1O 26647126 OWJGTYNKONMMCQ-WUXMJOGZSA-N 340.766 4.028 10 1 EICF CC[C@]1(C)C[C@@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586888405 ITUDCPKASRSXNP-SPLOXXLWSA-N 330.387 4.242 10 1 EICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(C)(C)N=[N+]=[N-])N1 587743605 DUQWMTGFGXZQEN-CLAHSXSESA-N 341.228 4.427 10 1 EICF CC(C)=CCC[C@H](C)[C@@H]1c2cc(C(=O)O)c(O)c(O)c2[C@H](C)C[C@H]1O 2356703833 WELCNKRQSNXMDQ-UAXWRAGISA-N 348.439 4.130 10 1 EICF Cc1nc2cc(Br)ccc2nc1Oc1ccc(N)cc1 473099390 FPESIWYFYIZMCE-UHFFFAOYSA-N 330.185 4.075 10 1 EICF COc1ccc(/N=N/c2c(-c3ccc(OC)cc3)noc2O)cc1 101781111 ZWNNAQOPKFRGPE-VHEBQXMUSA-N 325.324 4.480 10 1 EICF NCCOc1ccccc1C=C1c2ccccc2-c2ccc(N)cc21 1857557332 UCDAMVUQNSOSQO-UHFFFAOYSA-N 328.415 4.176 10 1 EICF O=C1C[C@@H](c2cc(O)c(O)c(Cl)c2)Oc2c1ccc1c2CCCC1 587496865 GNGYMEBUEZWDSV-KRWDZBQOSA-N 344.794 4.337 10 1 EICF Clc1cccc(NCCCn2c3c(c4ccccc42)CCNC3)c1 1857580084 BGQXWHHCYYQYQP-UHFFFAOYSA-N 339.870 4.443 10 1 EICF CCOc1cc(-n2c(C)cc3c2CCCC3)c(Cl)cc1C(=O)O 587942081 UWFAUOZQWUSILH-UHFFFAOYSA-N 333.815 4.415 10 1 EICF O=C(Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2)c1ccccc1F 13862839 BYGWCJMXSGBHQK-UHFFFAOYSA-N 345.329 4.124 10 1 EICF COc1ccc(N2C(=O)[C@H](N=[N+]=[N-])[C@H]2c2ccc(Cl)cc2)cc1 44146259 YEHNIJOQMMMRKW-HUUCEWRRSA-N 328.759 4.115 10 1 EICF CC=Cc1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1OC)[C@H](C)O2 2356498145 KGQWKAXLDWKONS-BBATYDOGSA-N 328.364 4.041 10 1 EICF Oc1ccc(-c2cccnc2)cc1CNC[C@@H]1C[C@@H]2C=C[C@@H]1C21CC1 100097073 ZMQMQJGZQIIZDC-IHPCNDPISA-N 332.447 4.146 10 1 EICF Cc1nc(/N=N/Cc2ccc(O)cc2)c2cnn(-c3ccccc3)c2n1 169688301 BOWXAXBNOIVZAU-HIXSDJFHSA-N 344.378 4.113 10 1 EICF CC(C)(C)c1ccc(NC(=O)/N=N/C(=O)NCc2ccncc2)cc1 28948538 MIDQCBUDHUZDLB-GHVJWSGMSA-N 339.399 4.273 10 1 EICF Oc1cc2ccc3c(c2cc1O)CCc1cnn(-c2ccc(F)cc2)c1-3 169339084 MEDVWBBAGIHWHI-UHFFFAOYSA-N 346.361 4.341 10 1 EICF Oc1cc2nc3ccccc3nc2c2c(O)c3ccccc3c(O)c12 169719728 LJJQBYXKUIGCLW-UHFFFAOYSA-N 328.327 4.206 10 1 EICF CCN(CC)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 587387091 MXSJGCOZBQBBTP-HXUWFJFHSA-N 338.451 4.438 10 1 EICF CCCCc1cc2c(s1)[C@H]1c3cc(O)c(O)cc3CC[C@@H]1NC2 13762008 SDSOUSANKZZJNT-YJBOKZPZSA-N 329.465 4.052 10 1 EICF O=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc(-c2ccccc2)[nH]n1 103973962 IVNFAHMSWYOFEE-GHVJWSGMSA-N 331.335 4.188 10 1 EICF Cc1ccc(Cc2ccc3c(c2O)C(=O)c2sccc2C3=O)cc1 299833157 JSSRHUSIXUQDEM-UHFFFAOYSA-N 334.396 4.128 10 1 EICF COc1ccc2nc3cc(Cl)ccc3c(NCCCN(C)C)c2c1 5957712 WBFCDJTXHXSTJK-UHFFFAOYSA-N 343.858 4.414 10 1 EICF CC1(C)Cc2c(cnn2-c2ccc(N)cc2)-c2[nH]c3ccccc3c21 621485707 GYHBEYJJQPDIGU-UHFFFAOYSA-N 328.419 4.437 10 1 EICF Oc1cc2c(c(-c3ccccc3)c1O)CCNC[C@H]2c1ccccc1 40939942 HMFJXCHZYMGZSN-IBGZPJMESA-N 331.415 4.042 10 1 EICF CCCNCCCOc1ccc2c(c1)CCCN2Cc1ccccc1 45484026 DXSLIZRQYNFKEO-UHFFFAOYSA-N 338.495 4.408 10 1 EICF COc1ccc(OC)c(-c2ccc(O)c(CN3CCCCCC3)c2)c1 45315800 UOAKFCWERMFJMZ-UHFFFAOYSA-N 341.451 4.452 10 1 EICF COc1ccc(NC(=S)/N=N\c2c(O)[nH]c3ccccc23)cc1 13130168 RRCQAXBOKBNIDS-VXPUYCOJSA-N 326.381 4.363 10 1 EICF COc1ccc(N2C(=O)[C@H](N=[N+]=[N-])[C@@H]2c2ccc(Cl)cc2)cc1 44146262 YEHNIJOQMMMRKW-CABCVRRESA-N 328.759 4.115 10 1 EICF Cc1cc(C)n2[nH]c(=O)c(/N=N\c3cccc(C(F)(F)F)c3)c2n1 17887957 FQVAFGRKZUFQLS-MRCUWXFGSA-N 335.289 4.074 10 1 EICF COc1cc2c3c(c1)O[C@@H](c1c(C)n(C)c4ccc(C)cc14)[C@@H](C2)C3=O 587432668 YWOVIILLSMEWHQ-KSFYIVLOSA-N 347.414 4.292 10 1 EICF CCCCOc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1O 653755938 ITJKLRRJXDMNES-UHFFFAOYSA-N 326.348 4.050 10 1 EICF CCN(Cc1coc(-c2ccc(C)cc2)n1)c1ccc2c(c1)OCO2 72103885 XJUSFZOEURAMOI-UHFFFAOYSA-N 336.391 4.405 10 1 EICF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2c(O)cccc2OC)N1 962941972 FLTNWPOEFHBYAV-ASSNKEHSSA-N 336.435 4.070 10 1 EICF CCOc1ccc(/N=N/c2cc(OC)c(OC)c(OC)c2)cc1O 1857752850 QZDBRHWTRMODDO-VHEBQXMUSA-N 332.356 4.232 10 1 EICF CCCN1CCc2c(cc(O)c(O)c2Cl)[C@@H](c2ccccc2)C1 27181558 OBYRGLTUYUPMBP-MRXNPFEDSA-N 331.843 4.151 10 1 EICF COc1cccc([C@@H]2CC(c3c(O)ccc4ccccc34)=NN2)c1OC 96938884 YTSZWEBRFGIUAY-INIZCTEOSA-N 348.402 4.001 10 1 EICF CC1=NN(c2ccccc2)C(=O)/C1=C(/c1ccc(Cl)cc1)N(C)C 101835108 CNNGJYQHKQQYCM-ZCXUNETKSA-N 339.826 4.035 10 1 EICF CC[C@]1(c2cc(C)ccc2O)NCCc2cc3cccc(OC)c3nc21 963036927 PRWYMUGIIZNGEI-JOCHJYFZSA-N 348.446 4.057 10 1 EICF CC(=O)N1c2cc([N+](=O)[O-])ccc2[C@H]2C=CC[C@H]2[C@H]1c1ccccc1 1857762437 ZQIWSCYAJORWTJ-YVWKXTFCSA-N 334.375 4.362 10 1 EICF COC(=O)c1ccc(-c2ccc(NCc3ccccc3O)cc2)cc1 473081793 DPNJIKVVAMOZEQ-UHFFFAOYSA-N 333.387 4.458 10 1 EICF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1cc(C)c(O)c(O)c1 963244314 WBELNDZAHQQEJE-QVKFZJNVSA-N 325.452 4.326 10 1 EICF Oc1ccccc1[C@@H]1CC(c2ccc3[nH]c4c(c3c2)CCCC4)=NN1 72113292 PYEGVOIFSLPTBA-FQEVSTJZSA-N 331.419 4.191 10 1 EICF COc1cccc(NCc2oc3c(c2C)C(=O)C(=O)c2ccccc2-3)c1 169353736 NHZDYXFCAWLGBB-UHFFFAOYSA-N 347.370 4.255 10 1 EICF Cc1occc1C(=O)N=Nc1c(O)[nH]c2ccc(Br)cc12 299813184 XTKGCMHVKLNTCW-UHFFFAOYSA-N 348.156 4.462 10 1 EICF Cc1cc(-c2csc(CCCO)n2)c(C)n1-c1ccccc1F 587922765 TZBIMVHTQZGOQX-UHFFFAOYSA-N 330.428 4.282 10 1 EICF COc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1O)N(C)[C@H](C)C2 962570869 OBRABBMMTWCQAG-WYRIXSBYSA-N 347.842 4.029 10 1 EICF CCC(=O)N[C@H](c1ccco1)c1cc(Cl)c2ccccc2c1O 36388616 OFYVKXDSUAGNIB-KRWDZBQOSA-N 329.783 4.407 10 3 EICF Cc1cccc(C2=NN=C(c3ccc(Br)cc3)C2)c1O 66080394 ZBBCBKVXXGHTSY-UHFFFAOYSA-N 329.197 4.060 10 1 EICF Cc1cc(Nc2cccc(F)c2)c2c(c1N)C(=O)c1ccccc1C2=O 1772607490 OTAPRFKQDKDOES-UHFFFAOYSA-N 346.361 4.235 10 1 EICF Cc1nc2[nH]c(CCCCCCN=[N+]=[N-])nc2cc1Br 587260673 YUSFWPNPEGEFTG-UHFFFAOYSA-N 337.225 4.442 10 1 EICF Cc1cccn2c(Nc3ccc4c(c3)OCO4)c(-c3ccccn3)nc12 4597429 MOQBNOAJUFVHLE-UHFFFAOYSA-N 344.374 4.177 10 1 EICF Cc1ccccc1COc1ccc(N2CCC[C@H]2CC(=O)O)cc1 116589910 GJISIZOIKSQGRQ-SFHVURJKSA-N 325.408 4.018 10 1 EICF CC(=O)C(=O)C[C@H]1C(C)(C)CCC[C@@]1(C)C(=O)CCc1ccoc1 15251199 ZSPWLZZGIWIIDN-FXAWDEMLSA-N 332.440 4.162 10 1 EICF biogenic CN1/C(=C/C=C/c2oc3ccccc3[n+]2C)Sc2ccc(F)cc21 169323910 XHEKADWIOSESPG-UHFFFAOYSA-N 339.415 4.493 10 1 EICF Oc1ccc2ncccc2c1[C@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963101235 QQCPTKWZZWZTOF-YCRPNKLZSA-N 334.394 4.189 10 1 EICF CC(=O)N1N=C(c2ccc(O)cc2)C[C@H]1c1ccc(Cl)c(Cl)c1 984719 WMSIHLURGZYGIO-KRWDZBQOSA-N 349.217 4.397 10 1 EICF COc1cc(/C=C/c2nc3cccc(C(C)(C)C)c3[nH]2)cc(O)c1O 587786795 XKISQHRSQMVYDV-CMDGGOBGSA-N 338.407 4.451 10 1 EICF Oc1ccccc1CNCCNc1c2c(nc3ccccc13)CCCC2 95560852 YZGYKMFGKGZXTR-UHFFFAOYSA-N 347.462 4.021 10 1 EICF Oc1ccc(-c2cccnc2)cc1CNC[C@H]1C[C@@H]2C=C[C@@H]1C21CC1 100097076 ZMQMQJGZQIIZDC-HOJAQTOUSA-N 332.447 4.146 10 1 EICF CCOC(=O)c1ccc(/N=N/c2cc(C(=O)OCC)ccc2O)cc1 17885184 IFCYDGOKBCGZKK-FMQUCBEESA-N 342.351 4.161 10 1 EICF C[C@@H]1C(=O)CC[C@H]1Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587963649 POZXDOHFNFQUBZ-STQMWFEESA-N 335.407 4.095 10 1 EICF CN(Cc1cc(-c2ccccc2)ccc1O)C[C@H](O)c1ccccc1 45314559 LHEJQBYHVPAHNB-QFIPXVFZSA-N 333.431 4.225 10 1 EICF COc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc(O)c1O 73200359 ANIWSIKUYFSRCQ-UHFFFAOYSA-N 335.359 4.026 10 1 EICF CC(=O)N(Cc1ccc(N(C)C)cc1)c1c(-c2ccccc2)noc1C 1857554711 LSDSVYZSHFRXJT-UHFFFAOYSA-N 349.434 4.269 10 1 EICF CC(=O)N1N=C(c2ccc(O)cc2)C[C@@H]1c1ccc(Cl)c(Cl)c1 984718 WMSIHLURGZYGIO-QGZVFWFLSA-N 349.217 4.397 10 1 EICF COc1ccc(/C=C2\SC(c3ccccc3Cl)=NC2=O)cc1 84651921 ZQCKYXFWWIGTLG-GDNBJRDFSA-N 329.808 4.410 10 1 EICF COc1ccc(O)c(O)c1C1c2ccccc2CCc2ccccc21 29571163 XWXPYTYUGSDJJU-UHFFFAOYSA-N 332.399 4.385 10 1 EICF Oc1cc(-c2ncc(-c3ccccc3)o2)cc(Br)c1O 1857546397 ACCCPUJKTVCJPD-UHFFFAOYSA-N 332.153 4.182 10 1 EICF O=C(O)c1cccc2c1N[C@@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@H]21 4132684 OOTILHHLBMVKCX-NVGCLXPQSA-N 336.347 4.120 10 1 EICF CC(C)c1cc2c(c(O)c1O)C(=O)N(Cc1ccc(F)c(Cl)c1)C2 95559021 CFPANRZYKQVZPZ-UHFFFAOYSA-N 349.789 4.170 10 1 EICF Nc1nn2c(O)cc(-c3ccccc3)nc2c1N=Nc1ccccc1 253531816 ZTNMGLZFDBALHQ-UHFFFAOYSA-N 330.351 4.100 10 1 EICF COc1cc2c(cc1OC)[C@@H](c1cc(Cl)ccc1O)N(C)[C@H](C)C2 962628056 NZHUZORWEDTGKE-WYRIXSBYSA-N 347.842 4.029 10 1 EICF Oc1ccc2ccccc2c1[C@H](c1ccccc1)N1CCC(O)CC1 72179773 IKSJYUYNLDBJBH-QFIPXVFZSA-N 333.431 4.092 10 1 EICF CCn1c(O)c(N=NC(=O)CNc2ccc(C)cc2)c2ccccc21 253981561 DUCNWMVCWLTMFS-UHFFFAOYSA-N 336.395 4.398 10 1 EICF COc1cc(/C=C\c2nc3ccc4c(c3[nH]2)CCCC4)cc(O)c1O 587785205 JFSPYEMMWBLOQS-TWGQIWQCSA-N 336.391 4.032 10 1 EICF CC(=O)N[C@@H](c1cccs1)c1cc(Cl)c2ccccc2c1O 36388624 GLWRKEARHQYZAI-MRXNPFEDSA-N 331.824 4.486 10 3 EICF CN1CCc2c(Cl)c(O)c(O)c(Cl)c2[C@@H](c2ccccc2)C1 13447130 JVDGQVHTDDMTCM-GFCCVEGCSA-N 338.234 4.024 10 1 EICF COc1ccc(/N=N/c2c(C(=O)O)[nH]c3ccc(OC)cc23)cc1 1857540856 YMRJZEKBUMXRDX-FMQUCBEESA-N 325.324 4.299 10 1 EICF Oc1c(Br)cccc1[C@@H]1NCCc2cccc(Cl)c21 963390194 GTCHEFHCLIGKSO-AWEZNQCLSA-N 338.632 4.043 10 1 EICF COc1ccccc1NC1=NC(=O)/C(=C/c2cccc(Cl)c2)S1 95755390 LKOGTZFJWNZDSX-GDNBJRDFSA-N 344.823 4.431 10 1 EICF CCCCC[C@@H]1CC(=O)c2cc(C(=[N+]=[N-])C(F)(F)F)ccc2O1 1772618987 WIQCMYDTVQMTEG-LLVKDONJSA-N 326.318 4.182 10 1 EICF COc1cc2c(cc1OC)[C@H](c1cc(Cl)ccc1O)N(C)[C@@H](C)C2 962628045 NZHUZORWEDTGKE-JEOXALJRSA-N 347.842 4.029 10 1 EICF C[N+](C)(C)Cc1cn(Cc2ccc([N+](C)(C)C)cc2)c2ccccc12 103300520 BUJVJHUFYAPFIY-UHFFFAOYSA-N 337.511 4.093 10 1 EICF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1c(O)ccc2ccccc12 963642701 ZEISWZCCAHMQBI-DMZKTXOQSA-N 349.430 4.186 10 1 EICF CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC1CCN(Cc3ccc(N)cc3)CC1)C2 40893273 CIYKQQFNVHITDL-ZNLUXHQJSA-N 341.543 4.038 10 1 EICF CCC[C@@H](Sc1nc2ccccc2[nH]1)C(=O)c1ccc(O)c(O)c1 13782389 HZZDLVQRZHQULX-MRXNPFEDSA-N 342.420 4.118 10 1 EICF Nc1ccc(Oc2ccc3nc(-c4cnc(Cl)nc4)[nH]c3c2)cc1 587086186 WKDJTSUDGMMAHU-UHFFFAOYSA-N 337.770 4.048 10 1 EICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCCN=[N+]=[N-])N1 587746101 LIHDQLYLMYMTJL-OQPBUACISA-N 327.201 4.254 10 1 EICF Oc1cc2c(cc1O)[C@H]1c3cc(-c4ccccc4)ccc3CN[C@@H]1CC2 12356176 RMDMGQSKVJJQEX-NFBKMPQASA-N 343.426 4.315 10 1 EICF O=c1[nH]c2cc(Cl)c(Cl)cc2n1Cc1cc(Cl)ccc1O 29394807 JSOOGVMPQQAWLQ-UHFFFAOYSA-N 343.597 4.044 10 1 EICF O=C(O)c1cc(-c2cc3c(n2-c2ccccc2)CCCC3)ccc1O 169320104 SUCJSVMKOYYJEH-UHFFFAOYSA-N 333.387 4.427 10 1 EICF COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1O)N(C)[C@H](C)C2 962570865 OBRABBMMTWCQAG-NSPYISDASA-N 347.842 4.029 10 1 EICF Oc1cc2nc(-c3cccs3)c(-c3cccs3)nc2cc1O 28472545 DKWQFKCOHCSXOM-UHFFFAOYSA-N 326.402 4.498 10 1 EICF Nc1ccc(Oc2ccc3nc(Cc4cc(N)ccc4F)[nH]c3c2)cc1 587141615 XHUBZUQGFLBCPX-UHFFFAOYSA-N 348.381 4.250 10 1 EICF CS(C)=C(C(=O)CCCc1ccccc1)C(=O)c1ccccc1 40979596 HSWQGLFIHYNSMZ-UHFFFAOYSA-N 326.461 4.162 10 1 EICF C[C@@]1(c2ccccc2)Nc2ccc3c(c2N1)C(=O)c1ccccc1C3=O 45350525 KCRJFCPUMXHDGH-JOCHJYFZSA-N 340.382 4.172 10 1 EICF CCN(Cc1coc(-c2ccc(F)cc2)n1)c1ccc2c(c1)OCO2 72185590 NPNLPMFOTOPRKX-UHFFFAOYSA-N 340.354 4.236 10 1 EICF C[C@@H]1OC(=O)c2c3c(c(O)c(O)c21)[C@]1(C)CCCC(C)(C)[C@@H]1CC3 2356694690 CABUHJOJYBAZEW-GXUQNELRSA-N 330.424 4.359 10 1 EICF COC(=O)[C@@]12CCCC(C)(C)[C@H]1CCc1cc(C(C)C)c(O)c(O)c12 38822822 IIJLVJMZYPZQLW-VFNWGFHPSA-N 346.467 4.405 10 1 EICF biogenic O=C(CSCc1ccccc1)/N=N\c1c(O)[nH]c2ccccc12 102674964 MWSLWLKRZZOJFC-VXPUYCOJSA-N 325.393 4.417 10 1 EICF CC=Cc1cc(OC)c2c(c1)[C@H](C)[C@@H](c1cc(O)c(O)c(OC)c1)O2 2356669923 SMOZKDIFJUIAKQ-WLRWDXFRSA-N 342.391 4.385 10 1 EICF Oc1ccc(-c2cccnc2)cc1CNC[C@H]1C[C@H]2C=C[C@@H]1C21CC1 14882107 ZMQMQJGZQIIZDC-RLLQIKCJSA-N 332.447 4.146 10 1 EICF COc1ccc(/C=C2\SC(c3cccc(Cl)c3)=NC2=O)cc1 84651920 PBKUWOLTZWHWGA-DHDCSXOGSA-N 329.808 4.410 10 1 EICF Cc1ccc(OCC(=O)N=Nc2c(O)[nH]c3c(C)cc(C)cc23)cc1 617960150 KSYFLEHMIPMHJE-UHFFFAOYSA-N 337.379 4.488 10 1 EICF CCn1c(=O)c2cn[nH]c2c2ccc(-c3cccc4cccnc34)cc21 205101049 ZMYPZFLMQSPXHR-UHFFFAOYSA-N 340.386 4.113 10 1 EICF COc1ccc(-c2ccc(O)c3c2CCN[C@H]3C)c2c1C(O)=CCC2 2356636337 DYJGDVCTHGRZQM-LBPRGKRZSA-N 337.419 4.120 10 1 EICF COc1cc(NCc2cc(Cl)cc(Cl)c2O)ccc1C(=O)O 653723635 WDKUSVOPSHPNOV-UHFFFAOYSA-N 342.178 4.018 10 1 EICF COc1ccc(C[C@@H](C)[C@@H](C)Cc2ccc(O)c(O)c2)cc1OC 6487283 ICZUIJGVBIFLAX-UONOGXRCSA-N 330.424 4.172 10 1 EICF CC(C)(C)c1cc2c(s1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 13762051 JRQAGZUTSLOUSW-ACJLOTCBSA-N 329.465 4.007 10 1 EICF Clc1ccc(OCCCn2c3c(c4ccccc42)CCNC3)cc1 1857570022 DUFPABPQGJTFLV-UHFFFAOYSA-N 340.854 4.410 10 1 EICF CN(C)c1ccc(N=Nc2ccc(-c3nc4ncc[nH]c-4n3)cc2)cc1 587196280 RYUCKVVQQYNZEE-UHFFFAOYSA-N 343.394 4.453 10 1 EICF CCOC(=O)Cc1ccc2nc(CCCCCCN=[N+]=[N-])[nH]c2c1 587259818 IULNKKYWXRAOFU-UHFFFAOYSA-N 329.404 4.082 10 1 EICF CCOc1cccc([C@H]2c3cc(OC)ccc3CCN2C(C)C)c1O 962089330 HYBHEYAEJVYLPG-FQEVSTJZSA-N 341.451 4.155 10 1 EICF Cc1cccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 66078440 ZPORFQBPMNEZCQ-UHFFFAOYSA-N 338.366 4.314 10 1 EICF O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccccc1)[C@H]1CC=C[C@@H]21 169295803 PGPYRHJVANSWEO-IGCXYCKISA-N 336.347 4.120 10 1 EICF COc1ccc2nc3cc(Cl)ccc3c(NCCCCN)c2c1 32091548 CUAXMFYZDLXXBK-UHFFFAOYSA-N 329.831 4.201 10 1 EICF O=c1[nH]c2cc(Cl)cc(Cl)c2n1Cc1cc(Cl)ccc1O 29396975 MAQXZNULHSVAOD-UHFFFAOYSA-N 343.597 4.044 10 1 EICF Cc1cccc(Nc2cc(C)c(N)c3c2C(=O)c2ccccc2C3=O)c1 66077324 XIHYKDLGZJGNNS-UHFFFAOYSA-N 342.398 4.405 10 1 EICF COc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1CC=C(C)C 2356398772 BQOZXTXYXPTOJP-UHFFFAOYSA-N 326.392 4.491 10 1 EICF NCc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1 26845033 OJYRGWYPKORJTG-UHFFFAOYSA-N 344.374 4.499 10 1 EICF Cc1cc(Nc2ccccc2)c2c(c1N)C(=O)c1ccccc1C2=O 45365987 LMPJWWHQFZECNH-UHFFFAOYSA-N 328.371 4.096 10 1 EICF COc1ccc(-n2c(C)cc(-c3nnc4n3CCCCC4)c2C)cc1 103225967 BMVCYZASRBQFAY-UHFFFAOYSA-N 336.439 4.088 10 1 EICF Cc1nn(-c2ccccc2)c(O)c1Cc1ccccc1C(F)(F)F 1772618582 NDRTXIVUTYWREX-UHFFFAOYSA-N 332.325 4.496 10 1 EICF CCCCCCc1ccc2c(c1O)C(=O)c1c(OC)cccc1C2=O 13454729 RZFKRQYRACLCPU-UHFFFAOYSA-N 338.403 4.299 10 1 EICF Cc1c(F)ccc2c1[C@](C)(c1cc3c(cc1O)CCCC3)NCC2 962094579 TWHTWRXQMPBBFH-NRFANRHFSA-N 325.427 4.128 10 1 EICF Oc1cc(O)c([C@H]2NCCc3c(Cl)cc(Cl)cc32)cc1Cl 963111669 RJYNBJZNBPJBER-HNNXBMFYSA-N 344.625 4.293 10 1 EICF Cc1cccc(-c2c(O)c(O)cc3c2CCNC[C@H]3c2ccccc2)c1 40940283 ZSUKCRFJZHRYFD-FQEVSTJZSA-N 345.442 4.351 10 1 EICF O=[N+]([O-])c1cnc(Sc2nc3ccc(Cl)cc3s2)s1 40954812 AGFOOIDESCTGOE-UHFFFAOYSA-N 329.815 4.466 10 1 EICF COc1cc(/C=C\c2nc3cc4ccccc4cc3[nH]2)cc(O)c1O 587785213 JGOMBBGIEWKOSF-SREVYHEPSA-N 332.359 4.306 10 1 EICF CC(C)(C)c1ccc(C[S@](=O)/C=C/c2ccc(O)c(O)c2)cc1 169337046 TXRTVIJENMZEJY-BREAQWACSA-N 330.449 4.315 10 1 EICF O=C(CCc1ccc(CN2CCCCC2)c(O)c1)c1cccs1 473094795 WETSVNGAZUQTPW-UHFFFAOYSA-N 329.465 4.255 10 1 EICF Cc1cc2c(n1-c1c(N)cccc1Br)CC(C)(C)CC2=O 587935592 CKMQSTLNCQAJCW-UHFFFAOYSA-N 347.256 4.286 10 1 EICF CCc1ncnc(N[C@@H](C)c2cc3c(cc2O)CCCC3)c1Cl 28887587 ZJQRBMIHMMDPEJ-NSHDSACASA-N 331.847 4.450 10 1 EICF O=C1CCCc2c1c1c(n2CCc2ccccc2)-c2ccccc2C1=O 73295534 SOUZORJPTHGIJA-UHFFFAOYSA-N 341.410 4.461 10 1 EICF Clc1ccccc1NCCCn1c2c(c3ccccc31)CCNC2 1857596790 RSAIYLYYKVKTNB-UHFFFAOYSA-N 339.870 4.443 10 1 EICF CS(C)=C(C(=O)CCc1ccccc1)C(=O)CCc1ccccc1 45484619 CWSZGJCRVPHBRK-UHFFFAOYSA-N 340.488 4.091 10 1 EICF CCCCSc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 103264501 WJLMDWBACOUGTJ-UHFFFAOYSA-N 336.416 4.231 10 1 EICF Oc1c([C@@H](Nc2ncccn2)c2ccccc2F)ccc2cccnc12 1772640440 BFQVXGIHOQPUNJ-SFHVURJKSA-N 346.365 4.071 10 1 EICF CN(CCO)c1ccc(/C=C/c2cccc(Br)c2)cc1 64436682 CMBGFUBSYVDKCX-AATRIKPKSA-N 332.241 4.048 10 1 EICF Clc1cccc(OCCCn2c3c(c4ccccc42)CCNC3)c1 1857579107 UINGDCIFWWKRTM-UHFFFAOYSA-N 340.854 4.410 10 1 EICF Nc1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1C(=O)O 39194354 FFQGGVHBCPOPJP-UHFFFAOYSA-N 332.403 4.304 10 1 EICF O=C(O)c1cc(-n2c(-c3cccs3)cc3c2CCCC3)ccc1O 39194374 BWLOCUXCFWSOHO-UHFFFAOYSA-N 339.416 4.488 10 1 EICF CCCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 64446475 IZTYSWNRFNVSEH-NRFANRHFSA-N 345.446 4.198 10 1 EICF C[C@]1(c2ccccc2)Nc2ccc3c(c2N1)C(=O)c1ccccc1C3=O 45350522 KCRJFCPUMXHDGH-QFIPXVFZSA-N 340.382 4.172 10 1 EICF CC(C)=CCc1c(O)c(O)c2oc(-c3ccccc3)cc(=O)c2c1O 28475350 VXDDQOXNAXENIL-UHFFFAOYSA-N 338.359 4.086 10 1 EICF O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3cccc(F)c3)nc21 66074251 PKEVBAAYDGBCRS-UHFFFAOYSA-N 342.329 4.144 10 1 EICF O=[N+]([O-])c1cccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c1 103189389 DMKOLBZNLLTDTA-UHFFFAOYSA-N 332.319 4.103 10 1 EICF [N-]=[N+]=NCCCCCCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587259645 GSNGYWOJVTZBHR-UHFFFAOYSA-N 347.732 4.390 10 1 EICF CCC(=O)N[C@@H](c1ccco1)c1cc(Cl)c2ccccc2c1O 36380901 OFYVKXDSUAGNIB-QGZVFWFLSA-N 329.783 4.407 10 3 EICF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CC(C)=O)(c2ccccc2O)N1 962944894 IFNXEOYCLXCMQG-QRQCRPRQSA-N 348.446 4.021 10 1 EICF CC(C)(C)c1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 1539971 JRQAGZUTSLOUSW-SCLBCKFNSA-N 329.465 4.007 10 1 EICF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(NO)=C2N=N 169684368 SVRDMFLGNCDZET-NRNRTASOSA-N 331.460 4.141 10 1 EICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCN=[N+]=[N-])N1 587744012 FWKLTNBJIQZABU-GZMMTYOYSA-N 327.201 4.254 10 1 EICF CC(C)=CCc1c(O)ccc2c1O[C@H](c1ccc(O)c(O)c1)CC2=O 13660194 ADFZZQAJJGHYDR-IBGZPJMESA-N 340.375 4.019 10 3 EICF biogenic C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)CN=[N+]=[N-] 1857747926 ZHCLTKLTERIZLM-MYDRVZFISA-N 347.503 4.431 10 1 EICF CN(C)c1ccc(/C=c2/c3ccccc3n3nc4ccccc4c23)cc1 1662766 UHNGVDFOYYUXBZ-HKWRFOASSA-N 337.426 4.254 10 1 EICF CC(C)C(=O)OCC(=O)Nc1ccc(/N=N\c2ccccc2)cc1 102700167 GKRVAYJZEFZZFN-MRCUWXFGSA-N 325.368 4.240 10 1 EICF Cc1c(-c2ccccc2)n[nH]c1C(=O)N=Nc1c(O)[nH]c2ccccc12 253983059 WAOZNFYGAINALA-UHFFFAOYSA-N 345.362 4.496 10 1 EICF N=C1Nc2c(sc3ccc(Cl)cc23)[C@H](c2ccccc2O)N1 1857558308 SKXBMELNOCHOFT-ZDUSSCGKSA-N 329.812 4.300 10 1 EICF CN(C)CCCN(/N=N/c1ccc([N+](=O)[O-])cc1)c1ccccc1 45319810 XFDFHGDBCYBIMU-VHEBQXMUSA-N 327.388 4.052 10 1 EICF COc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1CC=C(C)C 205412832 BQOZXTXYXPTOJP-FNORWQNLSA-N 326.392 4.491 10 1 EICF CCn1c(C)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 587430383 HJULMNQGDNUDPW-ZHRRBRCNSA-N 347.414 4.467 10 1 EICF COc1ccc([C@H]2Oc3ccccc3-n3c(CN(C)C)ccc32)cc1 13651977 IIIHJSIXKBKHLC-OAQYLSRUSA-N 334.419 4.029 10 1 EICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCCN=[N+]=[N-])N1 587744024 FWKLTNBJIQZABU-KCJUWKMLSA-N 327.201 4.254 10 1 EICF Cc1ccc(C)n1-c1ccc(-c2ccc(C(=O)O)cc2)c(C(=O)O)c1 45393592 FQNRIHKEBGGULG-UHFFFAOYSA-N 335.359 4.158 10 1 EICF COc1ccccc1NC1=NC(=O)/C(=C/c2cc3ccccc3[nH]2)S1 95755406 RZIRTAXDMYOGGR-BOPFTXTBSA-N 349.415 4.259 10 1 EICF O=C1c2ccccc2N[C@H](c2ccccc2O)N1Cc1ccccc1 13831404 SOMLVYKEWZIBNI-FQEVSTJZSA-N 330.387 4.159 10 1 EICF CN(C)c1ccc(-c2nc3ncc(-c4cccc(O)c4)cc3[nH]2)cc1 28824599 BLPQAVCUNCMBIR-UHFFFAOYSA-N 330.391 4.064 10 1 EICF O=C1[C@H](Nc2ccccc2)c2ccccc2N1Cc1ccccc1O 621430240 PRJWTUJLJMQRHG-HXUWFJFHSA-N 330.387 4.092 10 1 EICF CC(C)c1c(O)c(O)c2c(c1O)C=C[C@@H]1C(C)(C)CCC[C@]21C(=O)O 2356462555 WXPCGMWMEZXVKW-MPBGBICISA-N 346.423 4.102 10 1 EICF Nc1ccc(Nc2ncc(C(=O)c3ccccc3Cl)s2)cc1 473132392 RLEFUHPRPCEYFD-UHFFFAOYSA-N 329.812 4.353 10 1 EICF CC(C)=CCC[C@H](C)[C@@H]1c2cc(C(=O)O)c(O)c(O)c2[C@@H](C)C[C@H]1O 2356703834 WELCNKRQSNXMDQ-YXAMBPQSSA-N 348.439 4.130 10 1 EICF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCCC4)cc1C)[C@@H](C2)C3=O 587443196 LKJZPSDAJZVDDF-PGRDOPGGSA-N 349.430 4.093 10 1 EICF Oc1ccc(-c2n[nH]cc2-c2ccc(Cl)c(Cl)c2)c(O)c1O 1857766581 XHBYIFVQJMWGKB-UHFFFAOYSA-N 337.162 4.167 10 1 EICF COc1cc([N+](=O)[O-])cc2c1N[C@H]([C@H]1CC=CCC1)[C@@H]1CC=C[C@@H]21 12436524 PSPLPPYNGLDIRF-KDQZPGIASA-N 326.396 4.414 10 1 EICF COc1cc(/C=C\c2nc3cc(C)c(Cl)cc3[nH]2)cc(O)c1O 587786493 URPXGWLCPCOIPN-ARJAWSKDSA-N 330.771 4.115 10 1 EICF CCCCN(C)/N=N/c1c2ccoc2c(OC)c2oc(=O)ccc12 1857586098 VISDCSRMMGJKIW-VHEBQXMUSA-N 329.356 4.278 10 1 EICF O=C(O)c1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 169367830 SLZXXWORYGGPLE-KEYYUXOJSA-N 336.347 4.120 10 1 EICF CC[C@@]1(C)C[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586888404 ITUDCPKASRSXNP-QKKBWIMNSA-N 330.387 4.242 10 1 EICF CC(C)(N=[N+]=[N-])[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577622 TXZMNBBDKQAQEV-KBXCAEBGSA-N 339.351 4.201 10 1 EICF Oc1ccc2ncccc2c1[C@@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963101230 QQCPTKWZZWZTOF-BTYIYWSLSA-N 334.394 4.189 10 1 EICF COC(=O)[C@@]12CCCC(C)(C)[C@@H]1CCc1cc(C(C)C)c(O)c(O)c12 38822818 IIJLVJMZYPZQLW-BTYIYWSLSA-N 346.467 4.405 10 1 EICF biogenic O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c21 587966762 GNMFHYJGHQKCAM-HWWQOWPSSA-N 340.382 4.018 10 1 EICF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCCC3)cc1C)O2 587396265 RHIJOBLIOMUQOF-FQEVSTJZSA-N 336.435 4.192 10 1 EICF Cc1ccc2c(c1)N(C)/C(=C/C=C/c1oc3ccc(C)cc3[n+]1C)O2 169323875 LTHCQJVAFGKNSW-UHFFFAOYSA-N 333.411 4.258 10 1 EICF COc1cccc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1O 587787489 UVHAYWCNGDJWAY-UHFFFAOYSA-N 347.374 4.319 10 1 EICF COc1cc2c(cc1OC)[C@H](c1cc(Cl)ccc1O)N(C)[C@H](C)C2 962628048 NZHUZORWEDTGKE-NSPYISDASA-N 347.842 4.029 10 1 EICF COc1cc(OC)cc([C@@H]2CC(c3ccc4ccccc4c3O)=NN2)c1 96938898 GBMFIEKYKLAQDA-IBGZPJMESA-N 348.402 4.001 10 1 EICF CN(C)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O 1912688 SFWQDZHBJMLVKW-UHFFFAOYSA-N 327.815 4.399 10 1 EICF Oc1ccc(Cl)cc1CN1CC[C@@]2(CCCN(CC3CCC3)C2)C1 12836200 XDVLUGIHLNCEQS-HXUWFJFHSA-N 348.918 4.134 10 1 EICF CC(C)(N=[N+]=[N-])[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577630 TXZMNBBDKQAQEV-RDTXWAMCSA-N 339.351 4.201 10 1 EICF COc1cc2c3c(c1)O[C@H](c1c(C)n(C)c4cc(C)ccc14)[C@@H](C2)C3=O 587430654 KNZHPJOLFPRGAA-AOMKIAJQSA-N 347.414 4.292 10 1 EICF Cc1occc1C(=O)/N=N\c1c(O)[nH]c2ccc(Br)cc12 96902164 XTKGCMHVKLNTCW-ZCXUNETKSA-N 348.156 4.462 10 1 EICF CCCC(=O)OCC(=O)Nc1ccc(/N=N\c2ccccc2)cc1 102489943 WOHVRQVPVZRUIK-MRCUWXFGSA-N 325.368 4.384 10 1 EICF Cc1ccn2c(Nc3ccc4c(c3)OCO4)c(-c3ccccn3)nc2c1 3909853 JWDJPGYVOIXMPL-UHFFFAOYSA-N 344.374 4.177 10 3 EICF CN(C)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O 45186959 XFEDRIDRHPLCOW-UHFFFAOYSA-N 327.815 4.399 10 1 EICF CC(C)c1cc2c(c(O)c1O)[C@]1(C(=O)O)CCCC(C)(C)[C@H]1C=C2 13480773 FLIWYLVYBBWQTL-VLIAUNLRSA-N 330.424 4.397 10 1 EICF biogenic CC(C)c1c(O)c(O)c2c(c1C=O)[C@@H](O)[C@H]1C(C)(C)CCC[C@@]21C 13451899 IIYLPCIYUBWRSS-KPFFTGBYSA-N 332.440 4.165 10 1 EICF CCn1c(O)c(N=NC(=O)CNc2cccc(C)c2)c2ccccc21 299813098 LIQLLCCMUFJUIC-UHFFFAOYSA-N 336.395 4.398 10 1 EICF C[C@@H]1CC=CC[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587967049 LEUUWGIERMEQEQ-CHWSQXEVSA-N 342.398 4.408 10 1 EICF COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1O)N(C)[C@@H](C)C2 962570862 OBRABBMMTWCQAG-JEOXALJRSA-N 347.842 4.029 10 1 EICF Cc1cccc2nc(-c3ccccn3)c(Nc3ccc4c(c3)OCO4)n12 4597535 YLULUDMYDAPIJQ-UHFFFAOYSA-N 344.374 4.177 10 1 EICF Cc1ccc([C@H](c2c(O)ccc3ccccc23)N2CCC(O)CC2)cc1 72178817 CMJKNGCMPJPFQV-HSZRJFAPSA-N 347.458 4.400 10 1 EICF O=C1c2ccccc2C(=O)c2c1ccc1nc(C3(F)CCCCC3)[nH]c21 587132855 WAJYGCAAXXGSBV-UHFFFAOYSA-N 348.377 4.467 10 1 EICF CCCN1[C@H](c2cc(OC)c(OC)cc2O)c2ccccc2C[C@H]1C 963244361 WGSLZMAMOLVYLJ-SZNDQCEHSA-N 341.451 4.155 10 1 EICF Nc1ccc(CCCN[C@H]2CCC[C@@H]2CCCCCCC(=O)O)cc1 28003438 BQFDXUXOJXXNFM-ICSRJNTNSA-N 346.515 4.385 10 1 EICF O=C(O)c1cc(-n2c(-c3ccc(O)cc3)cc3c2CCCC3)ccc1O 39194370 MJXLVNXYBWWWQM-UHFFFAOYSA-N 349.386 4.133 10 1 EICF CN(C)c1cccc(NC(=O)c2cccc3c2C(=O)c2ccccc2-3)c1 59185189 VRAKVVPASDHNFP-UHFFFAOYSA-N 342.398 4.216 10 1 EICF CSc1cccc(N=c2[nH]c(-c3ccc(O)c(O)c3)cs2)c1 473089012 QHFYDOQMKRGLKF-UHFFFAOYSA-N 330.434 4.109 10 1 EICF Cc1cc(-c2csc(CC(N)=S)n2)c(C)n1-c1ccccc1F 587922799 WMIWGDQRFJXVNR-UHFFFAOYSA-N 345.468 4.185 10 1 EICF Nc1ccc(Oc2ccc3[nH]c(-c4ccc(CO)cc4)nc3c2)cc1 586895229 AQQNEGZCVPYAOC-UHFFFAOYSA-N 331.375 4.097 10 1 EICF [N-]=[N+]=NCCCCCCc1nc2ccc(Br)c(O)c2[nH]1 587260259 ORMUQPKROGHHQN-UHFFFAOYSA-N 338.209 4.444 10 1 EICF CCc1ccc(/C=C2\SC(=S)N(Cc3ccncc3)C2=O)cc1 169327326 BXRFDBAKRXKGTJ-WJDWOHSUSA-N 340.473 4.045 10 1 EICF O=C(c1ccccc1NCc1ccncc1)c1c[nH]c2ccccc12 40401808 KVPGEPFIZBIQJW-UHFFFAOYSA-N 327.387 4.406 10 1 EICF CC(=O)N1N=C(c2cc(C)ccc2O)C[C@H]1c1cccc(Cl)c1 6041483 RKUPKGFKRMZJPM-KRWDZBQOSA-N 328.799 4.052 10 1 EICF CCCN(/N=N\c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 13154823 BIEKBOAPWJBVSP-MSUUIHNZSA-N 329.316 4.418 10 1 EICF C[C@H](Nc1ccccc1C(=O)c1ccc(Cl)cc1Cl)C(=O)O 53044816 ITTKSALYKYQTKA-VIFPVBQESA-N 338.190 4.109 10 1 EICF COc1ccccc1[C@@H](c1c(O)ccc2ccccc12)N1CCCC1=O 1772635513 BNFQMGIRNYEYNM-QFIPXVFZSA-N 347.414 4.266 10 1 EICF O=S(=O)(O)c1cccc(N=Nc2c(O)ccc3ccccc23)c1 252628882 SZZYVRCXNNQFKZ-UHFFFAOYSA-N 328.349 4.208 10 1 EICF O=c1oc2ccccc2c2oc3cc(CN4CCCCC4)c(O)cc3c12 1857535246 YBDPWHRWGQWPCB-UHFFFAOYSA-N 349.386 4.384 10 1 EICF CCCN(CCCc1ccc([N+](=O)[O-])cc1)CCc1ccc(N)cc1 49802926 NLIRAWFXHHSSBI-UHFFFAOYSA-N 341.455 4.064 10 1 EICF Oc1cc2c(cc1O)[C@@H](Cc1ccc(-c3ccccc3)cc1)NCC2 35050012 XIJDCLCRFSKXPG-HXUWFJFHSA-N 331.415 4.194 10 1 EICF in-vivo Nc1cc(CO)cc(Nc2c3ccccc3nc3c(F)cccc23)c1 27524566 SLEWBNAAADDVHO-UHFFFAOYSA-N 333.366 4.345 10 1 EICF O=C1CCCN1[C@H](c1ccc(F)cc1)c1c(O)ccc2ccccc12 1772652835 VQOVNLJKGIBYIC-OAQYLSRUSA-N 335.378 4.396 10 1 EICF COc1cc(/C=C/c2nc3ccc(Cl)c(C)c3[nH]2)cc(O)c1O 587786531 VDINGCOPKZFXCB-ZZXKWVIFSA-N 330.771 4.115 10 1 EICF COc1ccc(OC)c(-c2ccc(O)c(CNC3CCCCC3)c2)c1 12149959 BNBSDTPNASFGHN-UHFFFAOYSA-N 341.451 4.499 10 1 EICF CCCCOc1cc2c3c(c1)-c1c(ccc(O)c1O)C[C@H]3N(C)CC2 40835949 BYGOBYFAXDOLTN-QGZVFWFLSA-N 339.435 4.029 10 1 EICF CO[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]2(C)CCCC(C)(C)[C@@H]2[C@H]1O 28824306 NAFCRWTYYJXRIX-YOUFYPILSA-N 348.483 4.367 10 1 EICF C[C@H](Cn1cnc2ccccc21)C(=O)N=Nc1c(O)[nH]c2ccccc12 617989179 AIDZLCBHRVCLGV-GFCCVEGCSA-N 347.378 4.170 10 1 EICF COc1cc(O)c([C@]2(C)NCCc3c2sc(C)c3C)cc1Cl 963011321 PFERVNHRDMKKQE-KRWDZBQOSA-N 337.872 4.142 10 1 EICF Cc1ccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)s1 103287062 SMGAKYMJEVSTRC-UHFFFAOYSA-N 344.395 4.375 10 1 EICF O=C(Oc1ccc(/C=C/c2ccccc2)cc1)c1cc(O)c(O)c(O)c1 1857600870 HJTCLAHLVNWHLA-VOTSOKGWSA-N 348.354 4.193 10 1 EICF COc1ccc2nc3cc(Cl)ccc3c(NCCN(C)C)c2c1 45192477 IEADEZAAPSZYHY-UHFFFAOYSA-N 329.831 4.024 10 1 EICF CCOc1ccc2nc(Sc3ncc([N+](=O)[O-])s3)sc2c1 40954169 QTTLNQCZQAALHL-UHFFFAOYSA-N 339.423 4.211 10 1 EICF Oc1ccc(/C=C/c2ccc(O)c(O)c2CCc2ccccc2)cc1O 85569245 MONXTWUQSVSPBY-RMKNXTFCSA-N 348.398 4.465 10 1 EICF biogenic,in-vitro O=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc(-c2cccs2)[nH]n1 100703007 PQRWBAZSQJSTMV-QZQOTICOSA-N 337.364 4.249 10 1 EICF CCC(C)(C)c1ccc(O)c([C@]2(C)NCCc3ccc(O)cc32)c1 963340037 FFVXKPNBZYDIBI-OAQYLSRUSA-N 325.452 4.195 10 1 EICF Cc1c(O)cc(CCc2cccc(O)c2O)c2c1OC(C)(C)C=C2 14679204 ODXGHQDOVZIDQZ-UHFFFAOYSA-N 326.392 4.081 10 1 EICF biogenic,in-vitro O=C(/C=C/c1ccc(O)c(O)c1)OCCc1cccc2ccccc12 1644295 VFBDUQDKOJTRNI-PKNBQFBNSA-N 334.371 4.050 10 1 EICF C[C@H](Cn1cnc2ccccc21)C(=O)/N=N/c1c(O)[nH]c2ccccc12 100703071 AIDZLCBHRVCLGV-GHPOMHATSA-N 347.378 4.170 10 1 EICF Oc1c(Br)cccc1[C@H]1NCCc2cccc(Cl)c21 963390195 GTCHEFHCLIGKSO-CQSZACIVSA-N 338.632 4.043 10 1 EICF CCOc1ccc2c(c1)c(/N=N\c1cccc(C(=O)O)c1)c(O)n2C 95543903 MWOGDAARLMVLEO-VXPUYCOJSA-N 339.351 4.396 10 1 EICF Oc1c(F)cccc1[C@H]1c2ccsc2CCN1Cc1cccnc1 962998310 UZNRHNDBTQHYIK-GOSISDBHSA-N 340.423 4.136 10 1 EICF CCNc1ccc(/N=N\c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 17824367 KMEDWEBXYFFHFO-DQRAZIAOSA-N 335.411 4.332 10 1 EICF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1c(O)ccc2ccccc12 963642708 ZEISWZCCAHMQBI-XMHCIUCPSA-N 349.430 4.186 10 1 EICF Oc1ccc2nc(-c3ccccc3O)c(-c3ccccc3O)nc2c1 71294676 QXCQTMCUMOBFNU-UHFFFAOYSA-N 330.343 4.081 10 1 EICF COc1cc(C/N=N/c2ncnc3sc4c(c23)CCC4)ccc1O 169688291 ZVASSIHXXTZNRF-QZQOTICOSA-N 340.408 4.178 10 1 EICF Cc1cc2c(c3c1c1ccccc1n3C)C(=O)c1ccccc1C2=O 5552855 ZKRIFSYYGXRUKH-UHFFFAOYSA-N 325.367 4.415 10 1 EICF COc1ccc(OC)c(-c2ccc(O)c(CN3CCC[C@@H](C)C3)c2)c1 14884464 GDKAGLKIRSSLMR-OAHLLOKOSA-N 341.451 4.308 10 1 EICF O=C1N=C(O)S/C1=C\c1cccc(OCc2ccccc2)c1Cl 169700813 GBNREXIKMQQLOI-ZROIWOOFSA-N 345.807 4.447 10 1 EICF CCCC(=O)N[C@@H](c1cccc(F)c1)c1ccc2cccnc2c1O 223192 HGWRKWYGPFHYHZ-SFHVURJKSA-N 338.382 4.085 10 1 EICF Oc1ccc2ncccc2c1[C@H]1c2ccc(F)cc2C[C@H]2CCCN21 963101232 QQCPTKWZZWZTOF-QVKFZJNVSA-N 334.394 4.189 10 1 EICF O=C(O)c1cc(/N=N\c2c(O)ccc3ccccc23)cc(C(=O)O)c1 13878625 CXQUYNPLPYNRQI-VXPUYCOJSA-N 336.303 4.357 10 1 EICF CC(=O)N[C@H](c1c(O)ccc2ccccc12)c1c[nH]c2ccccc12 98082295 RFITULLQMVLNLL-NRFANRHFSA-N 330.387 4.252 10 1 EICF CCOC(=O)c1cc2n(c1C)-c1cc(N)ccc1-c1ccc(OC)cc1-2 32063537 CMRFSBDINPYJOT-UHFFFAOYSA-N 348.402 4.201 10 1 EICF O=C(O)c1ccc([C@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@H]23)cc1 111479059 DQSILZGBKAYAAI-JKIFEVAISA-N 327.330 4.490 10 1 EICF Oc1nccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 587078437 QWMCIDDXYLELHH-RWSFTLGLSA-N 338.798 4.143 10 1 EICF COc1ccc2nc3ccc(COC(=O)CC(C)C)cc3c(N)c2c1 58581000 FQJLOSKLKHFFDJ-UHFFFAOYSA-N 338.407 4.068 10 1 EICF O=S(=O)(O)c1cccc(/N=N/c2c(O)ccc3ccccc23)c1 4284453 SZZYVRCXNNQFKZ-ISLYRVAYSA-N 328.349 4.208 10 1 EICF O=C(O)c1ccc([C@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@@H]23)cc1 13471372 DQSILZGBKAYAAI-CKEIUWERSA-N 327.330 4.490 10 1 EICF CNC1=NC(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1 26979417 ITDHROZTUOINCN-UVTDQMKNSA-N 346.496 4.177 10 1 EICF Cc1ccsc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 103287059 WBNLNVDGCGLAMY-UHFFFAOYSA-N 344.395 4.375 10 1 EICF O=C(N=Nc1c(O)[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1Cl 253977923 WQWLFQYLWHIPHJ-UHFFFAOYSA-N 344.714 4.359 10 1 EICF COc1cc(O)c([C@@]2(C)NCCc3c2sc(C)c3C)cc1Cl 963011322 PFERVNHRDMKKQE-QGZVFWFLSA-N 337.872 4.142 10 1 EICF O=C1c2ccc(Sc3ccccc3)cc2C(=O)c2cc(O)c(O)cc21 95580214 JPNPTHYSPUJGKU-UHFFFAOYSA-N 348.379 4.024 10 1 EICF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(CCc3ccc(C)c(O)c32)N1 962943399 GUGJEQRNTGMQPM-OYHNWAKOSA-N 332.447 4.296 10 1 EICF COc1ccc(Cl)c2c1CCN[C@@H]2c1cc(Cl)cc(C)c1O 963260079 VYAZCHIPJRVDAY-MRXNPFEDSA-N 338.234 4.251 10 1 EICF CN(CCO)c1ccc(/C=C/c2ccc(Br)cc2)cc1 64755265 ONWFPPLDICULLI-NSCUHMNNSA-N 332.241 4.048 10 1 EICF Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1Cc1ccc(F)cc1 29389028 OQSOEGDYIZRZKV-UHFFFAOYSA-N 343.423 4.054 10 1 EICF C[C@@H]1OC(=O)c2c3c(c(O)c(O)c21)[C@]1(C)CCCC(C)(C)[C@H]1CC3 2356694693 CABUHJOJYBAZEW-WNGDHGOHSA-N 330.424 4.359 10 1 EICF Cc1oc(C(=O)O)cc1COc1ccc(-c2ccc(CO)cc2)cc1 140564015 CAMOKVWARIOULZ-UHFFFAOYSA-N 338.359 4.025 10 1 EICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccnc3[nH]1)[C@H]1CC=C[C@@H]21 587275823 GVRSEGMWMRUKGX-IGCXYCKISA-N 347.378 4.001 10 1 EICF COc1cccc([C@H](c2c(O)ccc3ccccc23)N2CCCC2=O)c1 1772607401 HZRIQAMKNYZUFQ-JOCHJYFZSA-N 347.414 4.266 10 1 EICF CC(C)c1cc2c(c(O)c1O)[C@]1(C)CCC(=O)C(C)(C)[C@H]1CC2=O 14774377 WDKBIUNFLNEEEH-JLTOFOAXSA-N 330.424 4.071 10 1 EICF biogenic Oc1cc2c(c(-c3ccccc3)c1O)CCNC[C@@H]2c1ccccc1 40939944 HMFJXCHZYMGZSN-LJQANCHMSA-N 331.415 4.042 10 1 EICF CCCCSc1nc2cc3c(cc2o1)C(=O)c1ccccc1C3=O 299827829 PRGGOZNTMCATLI-UHFFFAOYSA-N 337.400 4.495 10 1 EICF CC(C)(N=[N+]=[N-])[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577628 TXZMNBBDKQAQEV-KSSFIOAISA-N 339.351 4.201 10 1 EICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cnccc3[nH]1)[C@@H]1CC=C[C@@H]21 587277435 VWQWGZKOCUMIBK-VFVRVIDISA-N 347.378 4.001 10 1 EICF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCc3ccc(C)c(O)c32)N1 962943395 GUGJEQRNTGMQPM-NYHFZMIOSA-N 332.447 4.296 10 1 EICF Cc1c(CNc2ccc(F)cc2)oc2c1C(=O)C(=O)c1ccccc1-2 169353731 PXSTWDFERWATGU-UHFFFAOYSA-N 335.334 4.385 10 1 EICF O=C1CCCN1[C@H](c1ccccc1F)c1c(O)ccc2ccccc12 1772656732 TVVUSWCGGCTCKB-OAQYLSRUSA-N 335.378 4.396 10 1 EICF COc1cc(O)c2c(c1C)C(=O)N(c1ccc(Cl)c(Cl)c1)C2 28950811 LDVQZLMMPLOJID-UHFFFAOYSA-N 338.190 4.176 10 1 EICF CC[C@H](C)NCc1c(O)ccc2c(CN[C@@H](C)CC)c(O)ccc12 45195810 XVYDBDFIIHNERZ-KBPBESRZSA-N 330.472 4.027 10 1 EICF CC(C)CCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 13762032 BTLAJQAIHGUMKQ-OXJNMPFZSA-N 343.492 4.298 10 1 EICF CC[n+]1c(/C=C/c2ccc(N(C)C)cc2)ccc2cc(OC)ccc21 4167193 PAALIUDHOKUOQR-UHFFFAOYSA-N 333.455 4.392 10 1 EICF CCOc1cc(NCCSCc2nc[nH]c2C)nc2ccccc12 45187572 QWPFEAQDMJWCLQ-UHFFFAOYSA-N 342.468 4.010 10 1 EICF Cc1cc2c(n1-c1cccc(Br)c1N)CC(C)(C)CC2=O 587937640 UEJDDDSMWADTQH-UHFFFAOYSA-N 347.256 4.286 10 1 EICF COc1ccc([C@H]2CC(c3c(O)ccc4ccccc34)=NN2)c(OC)c1 96938887 CHCBVLMBVGXYMG-QGZVFWFLSA-N 348.402 4.001 10 1 EICF COc1cc(/C=C\c2nc3ccc(C(C)(C)C)cc3[nH]2)cc(O)c1O 587786747 WPUWKEGNPDGNNW-YVMONPNESA-N 338.407 4.451 10 1 EICF CC(C)c1cc2c(c(O)c1O)[C@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2 13480854 QOCOQHXHEBGZNB-JSNMRZPZSA-N 332.440 4.316 10 1 EICF biogenic Oc1ccc(C2=Cc3cc(CN4CCCCC4)c(O)cc3OC2)cc1 473150178 LAROHJMTGNZTBA-UHFFFAOYSA-N 337.419 4.017 10 1 EICF Cc1c(C)c(O)c([C@@H]2c3ccc(F)cc3C[C@H]3CCCN23)c(C)c1O 963113289 SVZMXDKYZYQJGC-APWZRJJASA-N 341.426 4.272 10 1 EICF Cc1ccc(C)n1-c1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)O2 13795402 OKRBARCNKNOMND-UHFFFAOYSA-N 346.430 4.316 10 1 EICF Cc1cn2c(/C=C3/C(=O)N(C)c4ccc(Cl)cc43)c(C)nc2s1 45498512 HRWWQTGGSBWADB-NTUHNPAUSA-N 343.839 4.183 10 1 EICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccnc3[nH]1)[C@@H]1CC=C[C@H]21 587275820 GVRSEGMWMRUKGX-AHIWAGSCSA-N 347.378 4.001 10 1 EICF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2c(O)cccc2OC)N1 962941986 FLTNWPOEFHBYAV-LRTDBIEQSA-N 336.435 4.070 10 1 EICF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1cc(C)c(O)c(O)c1 963244316 WBELNDZAHQQEJE-VFNWGFHPSA-N 325.452 4.326 10 1 EICF COC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCCCC3 2925637 JCKKEXRISSYHRZ-UHFFFAOYSA-N 342.420 4.194 10 1 EICF Cc1ccccc1COc1ccc(N2CCC[C@H]2CC(=O)O)cc1C 1772656246 MNQZDJDWNOKSDV-SFHVURJKSA-N 339.435 4.326 10 1 EICF CC(C)c1c(O)c(O)c2c(c1O)C=C[C@H]1C(C)(C)CCC[C@]21C(=O)O 231503393 WXPCGMWMEZXVKW-FKIZINRSSA-N 346.423 4.102 10 1 EICF Cc1ccc(-c2cccc3ccccc23)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 26839364 MVCRJKMSDFMOAD-QZTJIDSGSA-N 349.430 4.073 10 1 EICF Oc1ccccc1[C@H]1CC(c2ccc3[nH]c4c(c3c2)CCCC4)=NN1 72113293 PYEGVOIFSLPTBA-HXUWFJFHSA-N 331.419 4.191 10 1 EICF Oc1ccc2ccccc2c1[C@@H](c1ccccc1)N1CCC(O)CC1 72179774 IKSJYUYNLDBJBH-JOCHJYFZSA-N 333.431 4.092 10 1 EICF C=C(c1ccc(N2CCCC2)cc1)c1cc(OC)c(OC)c(OC)c1 473088713 JLYSRJSZRWLBSO-UHFFFAOYSA-N 339.435 4.374 10 1 EICF Oc1ccc(CCNCCc2ccc(-c3ccccc3)cc2)cc1O 35050015 JBDYGJQTPIFXCP-UHFFFAOYSA-N 333.431 4.140 10 1 EICF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)n(C)c3cc(C)ccc13)O2 587391993 VIYOKBSLXSSCJE-IBGZPJMESA-N 334.419 4.392 10 1 EICF COc1cc2c3c(c1)O[C@H](c1c(C)n(C)c4ccc(C)cc14)[C@@H](C2)C3=O 587432667 YWOVIILLSMEWHQ-AOMKIAJQSA-N 347.414 4.292 10 1 EICF COc1c(-c2ccc(O)cc2)cc(O)c2c1oc1cc(O)c(O)cc12 72107829 PLXYXSNSJXMTSA-UHFFFAOYSA-N 338.315 4.084 10 1 EICF in-vitro CN(C)c1ccc(/C=C2/C=C(Cc3ccccc3)C(=O)O2)c(Cl)c1 103219670 VQSQYDIJVYOGGG-WQRHYEAKSA-N 339.822 4.473 10 1 EICF Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(C)ccc1C 587943475 DLZUOEPTLMJKNP-UHFFFAOYSA-N 327.153 4.212 10 1 EICF Oc1ccc(CCNc2c3c(nc4ccccc24)CCCC3)cc1O 169340641 OFLOLCWSTYMAGI-UHFFFAOYSA-N 334.419 4.179 10 1 EICF O=C1CCCc2c1c1c(n2Cc2ccccc2)-c2ccccc2C1=O 6581000 GCBBQAMPVJFUPC-UHFFFAOYSA-N 327.383 4.267 10 1 EICF Nc1ccc2c(Nc3ccc(C(=O)O)cc3)c3ccccc3nc2c1 26842751 CLGVEEWNHAQMHB-UHFFFAOYSA-N 329.359 4.412 10 1 EICF O=[N+]([O-])c1ccc(N=Nc2c(O)[nH]c3ccccc23)c([N+](=O)[O-])c1 617995244 PLKSEHVSFQIVNZ-UHFFFAOYSA-N 327.256 4.105 10 1 EICF CCCSC(=S)c1c(C)nn(-c2ccc(Cl)cc2)c1O 1857771065 KFPXXHYMVYDPJC-UHFFFAOYSA-N 326.874 4.358 10 1 EICF C[C@@H](Nc1ccccc1C(=O)c1ccc(Cl)cc1Cl)C(=O)O 53044819 ITTKSALYKYQTKA-SECBINFHSA-N 338.190 4.109 10 1 EICF COc1cccc(-c2[nH][nH]c(=O)c2/N=N/c2ccc(Cl)cc2)c1 169723226 BJADGMWGANECBM-CZIZESTLSA-N 328.759 4.447 10 1 EICF Cc1ccc(C)n1-c1c(Br)cccc1-c1cnn(C)c1 587936543 UZQVROQUBRZEOY-UHFFFAOYSA-N 330.229 4.257 10 1 EICF CC1CCN(C(=O)c2ccc(/C=C/c3ccc(O)c(O)c3)cc2)CC1 43011988 RRSDGGXPJJOQSG-NSCUHMNNSA-N 337.419 4.140 10 1 EICF COc1ccc2c(c1)C=C/C(=C\c1sc3ccccc3[n+]1C)N2C 20070346 HIRNGMIIEYFTDX-UHFFFAOYSA-N 335.452 4.239 10 1 EICF CN(C)CCCNc1ccc(/N=N/c2cccc([N+](=O)[O-])c2)cc1 45283806 ZRHDHSOKFJMOPH-FMQUCBEESA-N 327.388 4.374 10 1 EICF Nc1ccc(Oc2ccc3nc(-c4ccc(F)c(N)c4)[nH]c3c2)cc1 587139230 CUZFOGQTYYDSBD-UHFFFAOYSA-N 334.354 4.326 10 1 EICF Oc1ccccc1CNc1ncccc1-c1ccc(F)c(F)c1F 621430203 LXAYXZZSOUWAAS-UHFFFAOYSA-N 330.309 4.484 10 1 EICF CC(C)c1cc2c(c(O)c1O)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC2=O 14774386 WDKBIUNFLNEEEH-XOBRGWDASA-N 330.424 4.071 10 1 EICF biogenic,in-vitro COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(N)cc1 28221541 ZLUMDOZDEUUNTK-UHFFFAOYSA-N 347.440 4.058 10 1 EICF COc1ccc2c3ccc4c(c3n(C)c2c1)C(=O)c1ccccc1C4=O 5579969 GHCHXXPDGGJGHS-UHFFFAOYSA-N 341.366 4.116 10 1 EICF O=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc(-c2ccc(F)cc2)[nH]n1 96901166 MPHARLRIAAOLRH-WCWDXBQESA-N 349.325 4.327 10 1 EICF CN(CCCC(=O)O)c1ccc(/N=N\c2ccc([N+](=O)[O-])cc2)cc1 102799247 FLSBHQJVJRJLRN-HNENSFHCSA-N 342.355 4.311 10 1 EICF Oc1cc2c3ccc(O)c(O)c3n(CCCc3ccccc3)c2cc1O 1916195 HZHFQHZYQNBLNS-UHFFFAOYSA-N 349.386 4.250 10 1 EICF O=C1c2cc(O)ccc2-c2nnc(-c3cccc(C(F)(F)F)c3)cc21 13743564 HUYIXXMTRXNSBV-UHFFFAOYSA-N 342.276 4.079 10 1 EICF Oc1cc2c(cc1O)[C@@H]1c3cc(-c4ccccc4)sc3CN[C@H]1CC2 13762036 KMEFMCVBQGTUCT-HRAATJIYSA-N 349.455 4.376 10 1 EICF CN1CCC(=C2c3ccccc3[C@H]3COC[C@H]3c3ccccc32)CC1 169321205 FPDMIZXQOPBJGU-SZPZYZBQSA-N 331.459 4.425 10 1 EICF O=C1c2ccccc2C(=O)c2c1ccc1c(O)n(C3CCCCC3)nc21 8716809 FUXGDWUNQXAEDA-UHFFFAOYSA-N 346.386 4.023 10 1 EICF aggregator O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccccc1)[C@@H]1CC=C[C@@H]21 169295802 PGPYRHJVANSWEO-XNJGSVPQSA-N 336.347 4.120 10 1 EICF COc1ccc(Nc2c3ccc(N)cc3nc3cc(N)ccc23)cc1 13601075 ALRNODPAVHHKQD-UHFFFAOYSA-N 330.391 4.305 10 1 EICF COc1ccc(-c2ccc(O)c3c2CCN[C@@H]3C)c2c1C(O)=CCC2 100003285 DYJGDVCTHGRZQM-GFCCVEGCSA-N 337.419 4.120 10 1 EICF biogenic,in-vitro C[C@@H](Cn1cnc2ccccc21)C(=O)N=Nc1c(O)[nH]c2ccccc12 617989180 AIDZLCBHRVCLGV-LBPRGKRZSA-N 347.378 4.170 10 1 EICF O=C1c2ccccc2N[C@@H](c2ccccc2O)N1Cc1ccccc1 13831403 SOMLVYKEWZIBNI-HXUWFJFHSA-N 330.387 4.159 10 1 EICF O=C(COc1ccc(Cl)cc1)N=Nc1c(O)[nH]c2ccccc12 617960153 NRWFBHPLPKULEP-UHFFFAOYSA-N 329.743 4.216 10 1 EICF CC(=O)C(=O)C[C@@H]1C(C)(C)CCC[C@]1(C)C(=O)CCc1ccoc1 15251202 ZSPWLZZGIWIIDN-XLIONFOSSA-N 332.440 4.162 10 1 EICF biogenic Oc1cc(Cl)c(Cc2cc(O)c(O)c(Cl)c2Cl)cc1O 40935067 KXRZTWJWACPRTC-UHFFFAOYSA-N 335.570 4.060 10 1 EICF CC1=NN(c2ccccc2)C(=S)/C1=C\Nc1cccc([N+](=O)[O-])c1 100515395 ZKRIPYLMILHLKN-WJDWOHSUSA-N 338.392 4.114 10 1 EICF CCOc1ccccc1NCCCn1c2c(c3ccccc31)CCNC2 1857548647 PIEJWNDNBWOUCU-UHFFFAOYSA-N 349.478 4.188 10 1 EICF COc1ccc(-c2[nH][nH]c(=O)c2/N=N/c2ccc(Cl)cc2)cc1 169723236 GGJIOGRFVHOZOR-CZIZESTLSA-N 328.759 4.447 10 1 EICF CCN(CC)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 587387090 MXSJGCOZBQBBTP-FQEVSTJZSA-N 338.451 4.438 10 1 EICF CC1(C)C=Cc2c(ccc3c(=O)cc(-c4ccc(O)c(O)c4)oc23)O1 70455401 SUIZLTPVUQLVLF-UHFFFAOYSA-N 336.343 4.055 10 1 EICF biogenic,in-vitro O=C(O)c1cc(-c2[nH]c3c(C(=O)O)cccc3c2-c2ccccc2)c[nH]1 587639492 YAUDITAEEGHDKZ-UHFFFAOYSA-N 346.342 4.226 10 1 EICF Oc1c(F)cccc1[C@@H]1c2ccsc2CCN1Cc1cccnc1 962998311 UZNRHNDBTQHYIK-SFHVURJKSA-N 340.423 4.136 10 1 EICF CC(C)c1cc2c(c(O)c1O)[C@]1(C)CCC(=O)C(C)(C)[C@@H]1CC2=O 14774380 WDKBIUNFLNEEEH-VBKZILBWSA-N 330.424 4.071 10 1 EICF biogenic Cc1ccnc2c1CCN[C@@]2(C)c1cc(Cl)c2ccccc2c1O 963071040 IWNUPGSVVVMWFG-FQEVSTJZSA-N 338.838 4.311 10 1 EICF Oc1ccc2c(c1)[C@@H](c1cc(Cl)c3ccccc3c1O)NCC2 963340791 IHDCENQLUMABQU-SFHVURJKSA-N 325.795 4.140 10 1 EICF O=C(O)c1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 169363752 WOKVXSNZKHRNTH-KEYYUXOJSA-N 336.347 4.120 10 1 EICF O=C(N=Nc1c(O)[nH]c2ccccc12)c1cc(-c2ccc(F)cc2)[nH]n1 253961048 MPHARLRIAAOLRH-UHFFFAOYSA-N 349.325 4.327 10 1 EICF CC(=O)N1c2c(F)cc(F)cc2[C@@H]2C=CC[C@@H]2[C@@H]1c1cccnc1 84710727 HJCUJYUJRWORHQ-VKJFTORMSA-N 326.346 4.127 10 1 EICF Oc1[nH]c2ccccc2c1/N=N/c1n[nH]c2c3ccccc3nc-2n1 101384744 XXDDLBFUFCZPQS-ZNTNEXAZSA-N 329.323 4.060 10 1 EICF Cc1ccc(C2=NN[C@H](c3ccc(N4CCCCC4)cc3)C2)s1 103223391 YNZUUGVVDZBRGO-KRWDZBQOSA-N 325.481 4.486 10 1 EICF CCOc1ccc(NCCCn2c3c(c4ccccc42)CCNC3)cc1 1857549998 QCZHOPBLWHSEGT-UHFFFAOYSA-N 349.478 4.188 10 1 EICF COC(=O)[C@@]1(C)CCC[C@]2(C)c3c(O)c(O)cc(C(C)C)c3CC[C@@H]12 1857651464 NPNOFWVCLCUXQM-CZAAIQMYSA-N 346.467 4.405 10 1 EICF Oc1ccc(Cl)cc1CN1CC[C@]2(CCCN(CC3CCC3)C2)C1 12836202 XDVLUGIHLNCEQS-FQEVSTJZSA-N 348.918 4.134 10 1 EICF N=C1Nc2c(sc3ccc(Cl)cc23)[C@@H](c2ccccc2O)N1 1857558306 SKXBMELNOCHOFT-CYBMUJFWSA-N 329.812 4.300 10 1 EICF Cc1ccc(-c2cc(C(=O)/N=N/c3c(O)[nH]c4ccccc34)[nH]n2)cc1 100703998 QUOBJJGZOKWLBA-WCWDXBQESA-N 345.362 4.496 10 1 EICF CCOc1ccc2c(c1)c(/N=N/c1cccc(C(=O)O)c1)c(O)n2C 8683268 MWOGDAARLMVLEO-FMQUCBEESA-N 339.351 4.396 10 1 EICF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1cc(C)c(O)c(O)c1 963244319 WBELNDZAHQQEJE-YCRPNKLZSA-N 325.452 4.326 10 1 EICF CCCN(CCC)[C@H]1CCc2cc(F)c3c(c(C=O)cn3C)c2C1 13741705 JYSLVWOAWZHHQD-INIZCTEOSA-N 330.447 4.109 10 1 EICF Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1C1CCC(F)CC1 8536386 OWPMVKFHIJZSQU-UHFFFAOYSA-N 335.444 4.320 10 1 EICF COc1ccc(N2CC(C)(C)C[C@H]2/C=C/C(=O)OC(C)(C)C)cc1 206036488 QYMIFMLYEWOEFA-ONOODXEBSA-N 331.456 4.198 10 3 EICF CC(C)(C)C1CCC(C[C@H]2C(=O)C(=O)c3ccccc3C2=O)CC1 198903906 OMMKCJLAGTXGLC-MQBCKMQZSA-N 326.436 4.494 10 1 EICF COc1cc(/C=C/c2nc3cc(Cl)cc(C)c3[nH]2)cc(O)c1O 587785292 KQMVMVFDKZIQAX-ONEGZZNKSA-N 330.771 4.115 10 1 EICF O=C(NC1CCCCC1)c1ccc(/C=C/c2ccc(O)c(O)c2)cc1 43072609 ZLAZPRLTTOKXSY-VOTSOKGWSA-N 337.419 4.331 10 1 EICF COc1cc2c3c(c1)c(/N=N/C(=N)S)c(O)n3C(C)(C)C=C2C 101714604 NMPRKKRYIYTRDX-VHEBQXMUSA-N 330.413 4.456 10 1 EICF O=C1NC(=S)S/C1=C\c1cc2cc(Cl)ccc2nc1Cl 1772600540 VLDOUJCYZGDBGY-YHYXMXQVSA-N 341.244 4.030 10 1 EICF Oc1cc2c(cc1O)[C@H](Cc1ccc(-c3ccccc3)cc1)NCC2 35050013 XIJDCLCRFSKXPG-FQEVSTJZSA-N 331.415 4.194 10 1 EICF in-vivo COc1ccc(-c2[nH][nH]c(=O)c2/N=N/c2cccc(Cl)c2)cc1 169723235 OMWYRAPUHQXHKY-CZIZESTLSA-N 328.759 4.447 10 1 EICF CCOC(=O)c1ccc2[nH]c(-c3ccc(N4CCCCC4)cc3)nc2c1 653753998 RHCRUCFKSJDMPS-UHFFFAOYSA-N 349.434 4.397 10 1 EICF Oc1cc(-c2nc(Nc3ccccc3)c3ccccc3n2)cc(O)c1O 58592000 STWYZDWAPHUKBB-UHFFFAOYSA-N 345.358 4.157 10 1 EICF CC(C)(C)c1ccc(C[S@@](=O)/C=C/c2ccc(O)c(O)c2)cc1 169337043 TXRTVIJENMZEJY-YSESTWPTSA-N 330.449 4.315 10 1 EICF Oc1c(CN2CCCC2)cc(OCc2ccccc2)c2cccnc12 1857762842 OGYOJHLTEJBAMT-UHFFFAOYSA-N 334.419 4.115 10 1 EICF C[C@H]1C[C@@H]1C(=O)OCC(=O)Nc1ccc(/N=N\c2ccccc2)cc1 102403793 WYWKLODTCMKACH-LZPNPACLSA-N 337.379 4.240 10 1 EICF O=C(O)c1cc(/N=N/Cc2ccc3c(c2)OCCO3)ccc1Cl 169688466 AAFDNXQPWXHAEO-VHEBQXMUSA-N 332.743 4.093 10 1 EICF Oc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1CN1CCCC1 587213699 ZEXNRWKUQMDBPJ-UHFFFAOYSA-N 330.431 4.302 10 1 EICF COc1cccc(-n2ncc3c(/N=N/Cc4ccccc4)ncnc32)c1 169685252 JQDTXUPWIHFXQF-ZNTNEXAZSA-N 344.378 4.108 10 1 EICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cnccc3[nH]1)[C@H]1CC=C[C@H]21 587277433 VWQWGZKOCUMIBK-LXIYXOSZSA-N 347.378 4.001 10 1 EICF CCn1c(C)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 587430375 HJULMNQGDNUDPW-OPAMFIHVSA-N 347.414 4.467 10 1 EICF O=[N+]([O-])c1ccccc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 103189387 VAUJOBPMMNPBMD-UHFFFAOYSA-N 332.319 4.103 10 1 EICF CN1CCc2c(Cl)c(O)c(O)c(Cl)c2[C@H](c2ccccc2)C1 13447133 JVDGQVHTDDMTCM-LBPRGKRZSA-N 338.234 4.024 10 1 EICF CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1cc(Cl)ccc1O 95558789 PERLAQKTYHZXIG-QGZVFWFLSA-N 328.799 4.052 10 1 EICF CCCc1c(O)ccc2c1O[C@H](c1cc(O)c(O)c(Cl)c1)CC2=O 587461754 SPQSWLNLDZNJJO-INIZCTEOSA-N 348.782 4.116 10 1 EICF Cc1cc2c(n1-c1cccc(Br)c1[N+](=O)[O-])CCCC2 587937780 XXDBXQGULOBPJP-UHFFFAOYSA-N 335.201 4.335 10 1 EICF Cc1cc(N)c2c(c1)C(=O)C[C@@](CN=[N+]=[N-])(c1ccc(Cl)cc1)O2 587376452 CZOCVSBOCNSSGG-QGZVFWFLSA-N 342.786 4.402 10 1 EICF COP(=O)(OC)[C@@H](Nc1ccccc1)c1ccc(N(C)C)cc1 3092823 SAXMNCRWXBGHDE-QGZVFWFLSA-N 334.356 4.349 10 1 EICF COc1cc(Cl)c2nc3ccccc3c(N3N=C(C)CC3=O)c2c1 49111085 XVTNIYHXFUBFFC-UHFFFAOYSA-N 339.782 4.163 10 1 EICF COc1cc([N+](=O)[O-])cc2c1N[C@@H]([C@@H]1CC=CCC1)[C@@H]1CC=C[C@@H]21 169682997 PSPLPPYNGLDIRF-DRRHNWJESA-N 326.396 4.414 10 1 EICF Cc1cc2c(n1-c1cccc(-c3cccc(C(=O)O)n3)c1)CCCC2 587937310 KAJVTXAQLWGVSX-UHFFFAOYSA-N 332.403 4.425 10 1 EICF Oc1c([C@@H]2NCCc3nc4ccccn4c32)cc(Cl)c2ccccc12 962980107 BQAHHUVKSHYYBZ-SFHVURJKSA-N 349.821 4.082 10 1 EICF CC(=O)C(=O)C[C@@H]1C(C)(C)CCC[C@@]1(C)C(=O)CCc1ccoc1 15251196 ZSPWLZZGIWIIDN-YLJYHZDGSA-N 332.440 4.162 10 1 EICF biogenic O=C(/N=N/c1c(O)[nH]c2ccc(Cl)cc12)c1ccc2c(c1)OCO2 103968587 FTFGLKXLDKFAAM-FMQUCBEESA-N 343.726 4.180 10 1 EICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(C)(C)N=[N+]=[N-])N1 587744594 HMLHEHCPBRUPFQ-XLKFXECMSA-N 341.228 4.427 10 1 EICF O=C1c2ccccc2-c2nnc(-c3ccccc3C(F)(F)F)cc21 27216501 VXJLVIAZPBJLGP-UHFFFAOYSA-N 326.277 4.374 10 1 EICF O=C(Cn1ccnc1/N=N/c1ccc(Cl)cc1)NC1CCCCC1 1772653811 AWCDHZGADPNXSN-QURGRASLSA-N 345.834 4.401 10 1 EICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccnc3[nH]1)[C@H]1CC=C[C@H]21 587275822 GVRSEGMWMRUKGX-DCGLDWPTSA-N 347.378 4.001 10 1 EICF COc1cccc(-n2ccc3c(/N=N/Cc4ccncc4)ncnc32)c1 169685223 USZWAQBLCQQUNG-WCWDXBQESA-N 344.378 4.108 10 1 EICF Oc1ccc(/C=C/c2cccc(/C=C/c3ccc(O)c(O)c3)n2)cc1O 5596609 XGKCKKCXKSYAJN-KBXRYBNXSA-N 347.370 4.245 10 1 EICF COC(=O)Cc1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 587921801 ACAOGFGCYBVNQZ-UHFFFAOYSA-N 344.411 4.072 10 1 EICF CCOc1ccc([C@H]2CC(c3ccc4ccccc4c3O)=NN2)cc1 4143144 ONBFAYWEOYFREZ-LJQANCHMSA-N 332.403 4.383 10 1 EICF O=C1c2ccccc2C(=O)c2c(O)cc(-c3ccc(Cl)cc3)cc21 96934746 UKAMCOBCIOYFLS-UHFFFAOYSA-N 334.758 4.488 10 1 EICF CCCc1c(O)ccc2c1O[C@@H](c1cc(O)c(O)c(Cl)c1)CC2=O 587461755 SPQSWLNLDZNJJO-MRXNPFEDSA-N 348.782 4.116 10 1 EICF O=C(COc1cccc(Cl)c1)/N=N/c1c(O)[nH]c2ccccc12 103969938 BKZSUNBLLVQEHQ-FMQUCBEESA-N 329.743 4.216 10 1 EICF [N-]=[N+]=NCCCCCCc1nc2c(F)cnc(Br)c2[nH]1 587260626 WVOQTSZHDFNHIW-UHFFFAOYSA-N 341.188 4.273 10 1 EICF Fc1ccc(CCc2nc(-c3ccc(-n4cccc4)cc3)no2)cc1 206493274 YMHWXHDIEQXMEC-UHFFFAOYSA-N 333.366 4.452 10 3 EICF O=C(N=Nc1c(O)[nH]c2ccccc12)c1cc(-c2cccs2)[nH]n1 299813325 PQRWBAZSQJSTMV-UHFFFAOYSA-N 337.364 4.249 10 1 EICF COc1ccc([C@@H]2CC(c3c(O)ccc4ccccc34)=NN2)c(OC)c1 96938886 CHCBVLMBVGXYMG-KRWDZBQOSA-N 348.402 4.001 10 1 EICF CC(=O)C(=O)C[C@H]1C(C)(C)CCC[C@]1(C)C(=O)CCc1ccoc1 15251205 ZSPWLZZGIWIIDN-PXNSSMCTSA-N 332.440 4.162 10 1 EICF biogenic CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(CCc3ccc(C)c(O)c32)N1 962943392 GUGJEQRNTGMQPM-IVZQSRNASA-N 332.447 4.296 10 1 EICF COC(=O)c1nc2c(C)c(O)c(O)c([C@H](C)CCC=C(C)C)c2o1 1859656 AKNYPXDXJCERQG-SNVBAGLBSA-N 333.384 4.184 10 1 EICF Oc1ccc(-c2cccnc2)cc1CNC1C2CC3CC(C2)CC1C3 14976311 SOKCIOANCFRPAE-UHFFFAOYSA-N 334.463 4.369 10 1 EICF C[C@@H](Cn1cnc2ccccc21)C(=O)/N=N/c1c(O)[nH]c2ccccc12 100703070 AIDZLCBHRVCLGV-FYKQZTOXSA-N 347.378 4.170 10 1 EICF CCn1c(O)c(/N=N\C(=O)CNc2ccc(C)cc2)c2ccccc21 13581674 DUCNWMVCWLTMFS-DQRAZIAOSA-N 336.395 4.398 10 1 EICF CCOC(=O)N1N=C(c2ccccc2O)C[C@@H]1c1ccc(Cl)cc1 96937643 ATBZGBKKYVKDCY-MRXNPFEDSA-N 344.798 4.353 10 1 EICF O=C(/C=C/c1ccc(O)c(O)c1)OCCCCCCc1ccccc1 219795390 PXYCTGJZMBYUNS-WYMLVPIESA-N 340.419 4.457 10 1 EICF NCc1cccc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1 587246361 HCPCZNZQIMQOGB-UHFFFAOYSA-N 330.391 4.063 10 1 EICF Cc1ccc2ccc([C@@H](Nc3ncccn3)c3ccccc3)c(O)c2n1 1772646945 KLYDJIULDUZALL-SFHVURJKSA-N 342.402 4.240 10 1 EICF O=C1CCCN1[C@@H](c1ccc(F)cc1)c1c(O)ccc2ccccc12 1772652834 VQOVNLJKGIBYIC-NRFANRHFSA-N 335.378 4.396 10 1 EICF O=C1C(=O)c2cc(-c3ccc4c(c3)OCO4)ccc2-c2ccccc21 13862845 QODKWIUNITVDBJ-UHFFFAOYSA-N 328.323 4.128 10 1 EICF O=C(/N=N\c1c(O)[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1Cl 102572491 WQWLFQYLWHIPHJ-HNENSFHCSA-N 344.714 4.359 10 1 EICF O=C1CCCN1[C@@H](c1ccccc1F)c1c(O)ccc2ccccc12 1772656731 TVVUSWCGGCTCKB-NRFANRHFSA-N 335.378 4.396 10 1 EICF O=C(CCc1ccc(CN2CCCCC2)c(O)c1)c1ccc(F)cc1 473093063 STDNURMAIMPVRY-UHFFFAOYSA-N 341.426 4.333 10 1 EICF Oc1cc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)cc(Cl)c1O 963108211 NBQUDYFTNZZRDG-AWEZNQCLSA-N 344.625 4.293 10 1 EICF Nc1ccc(Oc2ccc3nc([C@@H](N)c4ccsc4)[nH]c3c2)cc1 587026599 ZPWLLZLPKBAPLA-KRWDZBQOSA-N 336.420 4.047 10 1 EICF Nc1ccc(NC(=O)CCCCCCC(=O)Nc2ccccc2)cc1 38788927 ONPPQRMVTONZIM-UHFFFAOYSA-N 339.439 4.187 10 1 EICF CC(C)(C)c1cc(NC(=O)Nc2ccc(N)cc2)n(-c2ccccc2)n1 13474647 TVPITQIYXJSBRR-UHFFFAOYSA-N 349.438 4.396 10 1 EICF CC(C)=CCOc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1O 71295730 JQLNZAVRUGCPNR-UHFFFAOYSA-N 338.359 4.216 10 1 EICF COc1ccc(-c2cnc3nc(-c4ccc(N(C)C)cc4)[nH]c3c2)cc1 28824597 LMDQKFVXYFATNQ-UHFFFAOYSA-N 344.418 4.367 10 1 EICF COc1ccc([C@H](c2c(O)ccc3ccccc23)N2CCCC2=O)cc1 1772657112 AQJQKWGJIFSINM-JOCHJYFZSA-N 347.414 4.266 10 1 EICF Nc1ccc(Oc2ccc3nc(-c4cccc(CO)c4)[nH]c3c2)cc1 586895170 SBLLYLWXVIQCKY-UHFFFAOYSA-N 331.375 4.097 10 1 EICF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(C)(C)N=[N+]=[N-])N1 587743606 DUQWMTGFGXZQEN-RMLUDKJBSA-N 341.228 4.427 10 1 EICF