smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(CN1CCN(C2CCCC2)C[C@@H](O)C1)NCCc1ccccc1 217070953 WCQZBBFNYUHJQL-IBGZPJMESA-N 345.487 1.266 70 50 EDIA CC[C@@H](C)[C@@H](CO)NC(=O)Cc1c(C)nn(-c2ccccn2)c1C 218131265 LGXSGZLWNRHILC-MLGOLLRUSA-N 330.432 1.950 70 50 EDIA Cc1nc(CCN(C)C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)no1 218393916 OIAWMVMERAOEMZ-AWEZNQCLSA-N 327.388 1.430 70 50 EDIA C[C@@H](O)c1cc2n(n1)CCCN(C(=O)Cn1nc3ccccc3n1)C2 217122380 BKXDKIVRQCZWMX-GFCCVEGCSA-N 340.387 1.114 70 50 EDIA O=C(CCc1nc2ccccc2[nH]1)N1CCn2nc(CO)cc2C1 217491184 NDYJQWOYXWXMGL-UHFFFAOYSA-N 325.372 1.227 70 50 EDIA CCN(Cc1nc(COC)no1)C(=O)c1cc2c([nH]c1=O)CCC2 218661355 LYERHPXMUSCLRB-UHFFFAOYSA-N 332.360 1.055 70 50 EDIA Cc1nc(C(=O)NC[C@@H](C(C)C)N2CCC(C)CC2)c(=O)[nH]c1C 160006762 KCJREAUZRYKGGG-HNNXBMFYSA-N 334.464 1.873 70 50 EDIA Cn1ccc(CNC(=O)Nc2ccc(OS(=O)(=O)F)cc2)n1 1875388132 OEYWPFRSWVVDQI-UHFFFAOYSA-N 328.325 1.335 70 50 EDIA C[C@@H](CCO)NC(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 159619257 WFFRQKRDCVOUJB-QWHCGFSZSA-N 341.402 1.999 70 50 EDIA Cc1nc2cc(CC(=O)N3CCCn4nc(CO)cc4C3)ccc2[nH]1 217426901 XAGIGWKNMRBZSB-UHFFFAOYSA-N 339.399 1.535 70 50 EDIA Cc1cc([C@H]2CCCN2C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)on1 218592065 QOZLOESKISKICM-CYBMUJFWSA-N 340.339 1.490 70 50 EDIA Cc1ccc(N(C)C(=O)c2cncc(OS(=O)(=O)F)c2)nc1 1875384610 HDAOONZLWZYTRD-UHFFFAOYSA-N 325.321 1.655 70 50 EDIA Cc1nc(N)ncc1C(=O)NC[C@@H]1CCCN(c2ccccn2)C1 218233268 KDKQHEAWFOUDST-ZDUSSCGKSA-N 326.404 1.409 70 50 EDIA Cc1ccc(C)c(OC[C@H](O)CN2CCOC[C@@H]2c2nc(C)no2)c1 160907766 XWLLZSHXWYBZPU-HZPDHXFCSA-N 347.415 1.808 70 50 EDIA CC[C@@H]1CO[C@H](C)CN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875385322 QVNCRBDRAWHTOF-MWLCHTKSSA-N 332.353 1.314 70 50 EDIA CC(C)(Oc1ccc2c(c1)CCC2)C(=O)NCc1c[nH]c(=O)[nH]c1=O 218200225 JVCSVGTVEYGDEY-UHFFFAOYSA-N 343.383 1.026 70 50 EDIA Cc1ccc(O)c(CN2CCCC[C@@H]2CCNS(C)(=O)=O)n1 159390374 FPKJXZZWZMDKFJ-CYBMUJFWSA-N 327.450 1.389 70 50 EDIA CN(Cc1ccc2nonc2c1)c1cc(C2CC(O)C2)nc(N)n1 218458600 SUOLRMYEEAMNSW-UHFFFAOYSA-N 326.360 1.470 70 50 EDIA Cc1ccc(C)c(CC(=O)N[C@@H]2COCC[C@@H]2OCCN(C)C)c1 218231926 IXMNKJSCTBBAIU-MSOLQXFVSA-N 334.460 1.698 70 50 EDIA Cc1cc(O)n2nc(CC(=O)NCCc3ccc(C)s3)nc2n1 217072511 AXFSDHKFLBPADB-UHFFFAOYSA-N 331.401 1.410 70 50 EDIA Cc1cc(C(=O)N2CCN(c3ccc4nccn4n3)CC2)c(C)o1 217392695 YDYBGHDRWWVLKL-UHFFFAOYSA-N 325.372 1.902 70 50 EDIA COc1cccc(N2CCC(N3CCn4nc(CO)cc4C3)CC2)c1 217136209 MFDSSGYYOBHMCM-UHFFFAOYSA-N 342.443 1.869 70 50 EDIA COc1ccc(Cn2nc(-c3ccncc3)nc2C2(C(N)=O)CC2)cc1 217566756 MGSLZWNXAOCMEG-UHFFFAOYSA-N 349.394 1.914 70 50 EDIA CC[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cc(C3CC3)n[nH]1)C2 217071201 DLUVETCMJAZBQS-INIZCTEOSA-N 329.404 1.973 70 50 EDIA CCc1nc(C)ccc1OCC(=O)N1CCn2nc([C@H](C)O)cc2C1 217968548 RQCJAFKFYBSKLR-ZDUSSCGKSA-N 344.415 1.623 70 50 EDIA O=C(NCCc1ccncc1)C1CCN(C(=O)[C@@H]2CCCO2)CC1 218118314 REYJNNXWNMFZLW-INIZCTEOSA-N 331.416 1.158 70 50 EDIA O=C(CCOCCOCCO)Oc1c(F)c(F)c(F)c(F)c1F 110715675 FTFZBMSTIHCECX-UHFFFAOYSA-N 344.232 1.703 70 50 EDIA COc1cccc2c1OCC(CN1CCn3nc(CO)cc3C1)=C2 217902972 ZTAAETALUQUBSE-UHFFFAOYSA-N 327.384 1.676 70 50 EDIA Cn1ccnc1CN1CCN(C(=O)[C@@H]2CCc3ccccc3C2)CC1 217203077 BDFJHSCRIRUKRZ-GOSISDBHSA-N 338.455 1.869 70 50 EDIA COc1ccccc1[C@H](NC(=O)[C@@H]1CCCNC1)c1noc(C)n1 160112561 OHULSAUSVKRMMH-DOMZBBRYSA-N 330.388 1.592 70 50 EDIA Cc1cn(-c2ccccc2Cl)nc1C(=O)NC[C@@H]1CN(C)CCO1 161168157 ILOMXKVQSDNMLK-CYBMUJFWSA-N 348.834 1.895 70 50 EDIA O=C(CN1CCc2ccccc2C1)NCc1nnc2n1CCCC2 218189458 CSQYYQIPTIFJAJ-UHFFFAOYSA-N 325.416 1.289 70 50 EDIA CCOC(=O)CCNC(=O)CCNC(=O)c1ccccc1Cl 217771655 FTRBTXDLAPZKFM-UHFFFAOYSA-N 326.780 1.529 70 50 EDIA biogenic Cc1nc(CCNC(=O)CN(C)Cc2cccnc2)nc2c1CCC2 218588788 IHZYFRHZAAUENS-UHFFFAOYSA-N 339.443 1.459 70 50 EDIA CC(=O)c1[nH]c(C)c(C(=O)N2Cc3nc(C)n(C)c(=O)c3C2)c1C 217840243 QRYVUBDGEPMDQY-UHFFFAOYSA-N 328.372 1.392 70 50 EDIA Cc1cc(N(C)C(=O)c2cncc(OS(=O)(=O)F)c2)ccn1 1875384609 HCUUERLGCKSKBY-UHFFFAOYSA-N 325.321 1.655 70 50 EDIA CCNc1nc(C)c(C(=O)NCc2nc(-c3ccncc3)n[nH]2)s1 218764646 KJVHOQZHVDZAMA-UHFFFAOYSA-N 343.416 1.993 70 50 EDIA Cc1n[nH]c([C@H]2CCCN(Cc3cnc(N4CCOCC4)s3)C2)n1 217696082 MTYSXQISVQDYAJ-ZDUSSCGKSA-N 348.476 1.786 70 50 EDIA COc1ccccc1[C@@H](NC(=O)[C@H]1CCCNC1)c1noc(C)n1 160112694 OHULSAUSVKRMMH-SWLSCSKDSA-N 330.388 1.592 70 50 EDIA COCc1noc(CNC(=O)c2cc(=O)[nH]c3ccc(F)cc23)n1 218449010 RWDOYMKNCKWJDP-UHFFFAOYSA-N 332.291 1.127 70 50 EDIA O=C(Cn1nc2ccccc2n1)NCCc1nc(-c2ccccn2)no1 218204559 YXTDMZGAXNDFIS-UHFFFAOYSA-N 349.354 1.235 70 50 EDIA O=C(Cn1ccnc1)N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1 218610186 MRNYUUNNOSDNFQ-JTTJXQCZSA-N 327.384 1.446 70 50 EDIA Cc1cc(CC(=O)N[C@@H]2COCC[C@@H]2OCc2c(C)noc2C)on1 218048855 QPRZDDBRDKHRBD-CVEARBPZSA-N 349.387 1.621 70 50 EDIA COc1ccc(NC2=CC(=O)N(C(C)=O)C2)cc1C(=O)NC1CC1 218452346 AMJCRKBEQIQITE-UHFFFAOYSA-N 329.356 1.272 70 50 EDIA Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(OC(F)(F)F)cc1 218258500 ULVFDULICGHVBY-JTQLQIEISA-N 329.278 1.917 70 50 EDIA C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1CN 160221777 MMDGYMGSRZFAMD-DGCLKSJQSA-N 328.409 1.185 70 50 EDIA COc1ccc(C(=O)N(C)Cc2cnccn2)cc1N1CCOCC1 217483977 ZWHWYNITJNWJKN-UHFFFAOYSA-N 342.399 1.594 70 50 EDIA Cc1cccc2[nH]c(CCNC(=O)CSc3nnc(N)s3)nc12 217144052 VVBCSHIGPRLJFL-UHFFFAOYSA-N 348.457 1.756 70 50 EDIA O=C(CNc1c(NCc2ccccc2Cl)c(=O)c1=O)N1CCCC1 218245485 SJKGDNCXDQLSBG-UHFFFAOYSA-N 347.802 1.582 70 50 EDIA CC[C@@H](NS(=O)(=O)CCOc1ccc(F)cc1)C1CC(O)C1 218404604 CWDSYTFVEXJEBE-ABIUDSBCSA-N 331.409 1.673 70 50 EDIA CCc1cc(N2CCN(C(=O)c3c[nH]c(=O)c(Cl)c3)CC2)ncn1 218511198 JSPQAUQMMARPNZ-UHFFFAOYSA-N 347.806 1.343 70 50 EDIA CN(C)CCO[C@@H]1COCC[C@H]1NC(=O)c1c(F)cccc1F 218150723 CQSWVCMTAVGOPA-ZIAGYGMSSA-N 328.359 1.430 70 50 EDIA O=C(/C=C/c1ccccc1)N1CCCn2nc([C@@H](O)CO)cc2C1 217164454 PXYFOCJGYNOZSY-OZSKJFCKSA-N 327.384 1.355 70 50 EDIA CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)Cl)c1 59098585 MPPWURAWIYRWRK-UHFFFAOYSA-N 333.612 1.780 70 50 EDIA in-vitro Cc1c(C(=O)N2CCNCC2)cnn1-c1cccc(Br)c1 159375875 BVAYXTYEJDTUCY-UHFFFAOYSA-N 349.232 1.989 70 50 EDIA CO[C@@H]1CN(C(=O)c2cncc(OS(=O)(=O)F)c2)CC1(C)C 1875384605 HAUIFYYVAKHAHS-LLVKDONJSA-N 332.353 1.172 70 50 EDIA Cc1cnc(C(=O)N2CCCn3nc([C@@H](O)C4CCC4)cc3C2)cn1 218509598 GJHCCYUPULVCOC-KRWDZBQOSA-N 341.415 1.861 70 50 EDIA CCOc1cc(CN2CCN(C)[C@@H](CO)C2)c(Cl)cc1OC 217134681 JUDDLRVKSIXXRE-CYBMUJFWSA-N 328.840 1.856 70 50 EDIA CCc1nc(C)ccc1OCC(=O)N1CCC(n2cnnc2)CC1 217178566 QKVDYCLLVHXWEI-UHFFFAOYSA-N 329.404 1.786 70 50 EDIA Cc1cc(S(=O)(=O)N2CCCn3nc(CO)cc3C2)c(C)s1 217086998 QNPURJHLHYWVJT-UHFFFAOYSA-N 341.458 1.648 70 50 EDIA O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1cnc2n(c1=O)CCS2 161477715 JOKSTIKRUWAMQV-GFCCVEGCSA-N 349.456 1.961 70 50 EDIA COCCCn1cnnc1CNC(=O)Cc1cn(C)c2ccccc12 218512384 MMXZWVRGIBEPDH-UHFFFAOYSA-N 341.415 1.665 70 50 EDIA CN(C)[C@H]1CCN(CC(=O)NCCCc2nc3ccccc3o2)C1 218525964 RYPUMLPYLKBJGF-AWEZNQCLSA-N 330.432 1.513 70 50 EDIA CN(CC(=O)NCc1nc(-c2ccccc2)n[nH]1)Cc1cccnc1 217941373 SZEZMWGKZWQSPA-UHFFFAOYSA-N 336.399 1.615 70 50 EDIA CSCC[C@@H](CO)NC(=O)c1n[nH]c2c1COc1ccccc1-2 218313726 LVUPBCNRYQXSFT-JTQLQIEISA-N 333.413 1.813 70 50 EDIA CN(CC(=O)NCCc1nc2ccc(F)cc2[nH]1)Cc1cccnc1 218535457 DZIOUERVTIGRHI-UHFFFAOYSA-N 341.390 1.888 70 50 EDIA Cc1ncsc1CCC(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1 218470554 FJPDEYJVZAQYKT-VJUNAUMWSA-N 335.473 1.752 70 50 EDIA CN(C)[C@@H]1CCN(CC(=O)NCCCc2nc3ccccc3o2)C1 218525890 RYPUMLPYLKBJGF-CQSZACIVSA-N 330.432 1.513 70 50 EDIA O=C(c1cccc2[nH]cnc12)N1CCCC[C@H]1CN1CCOCC1 159487771 AACFQVJWAMPUKJ-AWEZNQCLSA-N 328.416 1.890 70 50 EDIA CC[C@@H]1COCCN(C(=O)c2cncc(OS(=O)(=O)F)c2)C1 1875384815 IXKOHSALLHANBB-JTQLQIEISA-N 332.353 1.173 70 50 EDIA C[C@H]1CN(Cc2ccccc2)C[C@@]2(CCN(S(=O)(=O)F)C2)O1 1875368393 OEIQRMKPFRZTKT-DZGCQCFKSA-N 328.409 1.566 70 50 EDIA COc1cccc(CN2C[C@@H]3CC[C@H](C2)[C@@H]3O)c1OCCN(C)C 217553224 VQGIEGPABMPFDP-HWWDLCQESA-N 334.460 1.838 70 50 EDIA Cc1n[nH]c(C2CC2)c1C(=O)N[C@@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1 218718952 YFCRPEAHKNZPKT-UXIGCNINSA-N 329.404 1.571 70 50 EDIA O=C(N[C@H]1C[C@H](c2cc(N3CC[C@@H](O)C3)ncn2)C1)c1ccco1 218732274 SEWJXRATPCJODP-FRRDWIJNSA-N 328.372 1.317 70 50 EDIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)c1cnn2c1OCCC2 1875385671 YRVREFFXHNAKIR-UHFFFAOYSA-N 341.320 1.511 70 50 EDIA COc1ccc([C@@H](O)C(=O)N2CCN(C3CCOCC3)CC2)cc1 218401625 VZWSVXOFJPRKAX-QGZVFWFLSA-N 334.416 1.052 70 50 EDIA CCS(=O)(=O)Nc1ccc(C(=O)N(C)Cc2cnccn2)cc1 217028067 NKAKRAYCMPLWQO-UHFFFAOYSA-N 334.401 1.510 70 50 EDIA Cc1csc(CCCNC(=O)CSc2nnc(N)s2)n1 218034313 MGEZBKLMVYGEOR-UHFFFAOYSA-N 329.476 1.726 70 50 EDIA Cc1n[nH]c([C@@H]2CCCN2C(=O)CC2=CSC3=NCCCN23)n1 217177663 ZYVGQCVLPFDEOB-LBPRGKRZSA-N 332.433 1.817 70 50 EDIA Cc1ccc2[nH]c(CCNC(=O)CCCn3cncn3)nc2c1C 218073102 BXHSWMWOKCBLKB-UHFFFAOYSA-N 326.404 1.910 70 50 EDIA O=C(NCCc1c[nH]cn1)C1CCN(c2ccc(Cl)nn2)CC1 218428879 ZECQWCJVJMVQBN-UHFFFAOYSA-N 334.811 1.428 70 50 EDIA Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)NCc1ccccn1 218461373 MDDFKRIQKLXBAI-MRXNPFEDSA-N 341.411 1.969 70 50 EDIA CSCc1ccc(C(=O)NCc2nc(-c3cnccn3)n[nH]2)o1 217795197 VIRTXJLGPHCXEQ-UHFFFAOYSA-N 330.373 1.648 70 50 EDIA O=c1[nH]c(CN2CCCn3nc(CO)cc3C2)nc2ccsc12 217144536 TVJGSXUBTQUVSF-UHFFFAOYSA-N 331.401 1.079 70 50 EDIA CC(C)CC(=O)N1CCN(Cc2ccoc2)[C@@H]2CS(=O)(=O)C[C@@H]21 216784805 DRUYMVIPCIUHMN-CABCVRRESA-N 340.445 1.136 70 50 EDIA Cc1cccc(=O)n1CCCNC(=O)CC1=CSC2=NCCCN12 217845801 GJLHNLRUNKXWNW-UHFFFAOYSA-N 346.456 1.703 70 50 EDIA O=C(CCc1cccnc1)N[C@@H]1CCOC[C@H]1OCc1cscn1 218283230 YXFIJCJOISDKTJ-HZPDHXFCSA-N 347.440 1.961 70 50 EDIA CC(C)Cc1nc(NC(=O)Cn2cnc3sccc3c2=O)n[nH]1 218366911 ANXYNEYQTDJTOV-UHFFFAOYSA-N 332.389 1.413 70 50 EDIA CN(Cc1cnn(C)c1)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 159542659 CHXCFDQCUBYFFS-ZDUSSCGKSA-N 348.838 1.889 70 50 EDIA Cc1cccc(N2CCN(CC(=O)N[C@H]3C[C@@H]4OCC[C@H]34)CC2)c1 218105040 GFQGTKXVBWULCC-SQNIBIBYSA-N 329.444 1.411 70 50 EDIA CC(=O)c1[nH]c(C)c(C(=O)N2CCCO[C@@H](Cn3cccn3)C2)c1C 217390749 UKBZEEUMOIMYJL-OAHLLOKOSA-N 344.415 1.962 70 50 EDIA CN(Cc1cnn(C)c1)C(=O)COCc1nc2cc(F)ccc2[nH]1 217028820 LNVWMRZZXVDWEN-UHFFFAOYSA-N 331.351 1.611 70 50 EDIA Nc1[nH]nc(C(=O)N[C@H](CCn2cncn2)c2ccccc2)c1Cl 218119301 BLBWMGHXWUJQRC-LLVKDONJSA-N 345.794 1.798 70 50 EDIA CCn1cnnc1[C@@H]1CCCN([C@@H](C)C(=O)NCC(F)(F)F)C1 161423907 OANYEKJVGQOYMN-WDEREUQCSA-N 333.358 1.544 70 50 EDIA COc1c(F)ccc(CN2CCn3nc([C@H](O)CO)cc3C2)c1F 218670844 YEMQALZLQJKVAO-CQSZACIVSA-N 339.342 1.211 70 50 EDIA Nc1cnn(CC(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2Cc2ccccc2)c1 218728723 RGOGZULENOSCJL-MVJTYMMSSA-N 326.400 1.228 70 50 EDIA COC(=O)C[C@@H](c1cccc(O)c1)c1c(O)c(C(=O)OC)c[nH]c1=O 217943959 SJCDOXXINQQFJU-NSHDSACASA-N 347.323 1.268 70 50 EDIA biogenic COC(=O)C[C@@H](c1oc(CN2CCOCC2)cc(=O)c1O)C(C)C 217610511 AYDBWANNIVIPSA-CYBMUJFWSA-N 339.388 1.480 70 50 EDIA biogenic NC1CC(c2cc(NCCCN3CCCC3=O)nc(C3CC3)n2)C1 218230394 NMGZBDWGGBWSLP-UHFFFAOYSA-N 329.448 1.983 70 50 EDIA CCc1ocnc1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1 218096130 NOHUKXJAWWDIBS-GDBMZVCRSA-N 346.383 1.696 70 50 EDIA CN(C)C[C@]1(O)CCCN(C(=O)c2cccc(N3CCOCC3)c2)C1 217538562 XMNKERUYFZLRHK-LJQANCHMSA-N 347.459 1.052 70 50 EDIA CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCC[C@@H](N2CCCC2)CC1 159906942 GTMXJTUMYNTENV-HUUCEWRRSA-N 345.509 1.470 70 50 EDIA CN(Cc1cccc2cnccc12)C(=O)c1c[nH]nc1-n1cnnn1 217899679 UWOUAWVVMIPJIQ-UHFFFAOYSA-N 334.343 1.206 70 50 EDIA O=C(CSc1ncccn1)N1CCN(c2ccc(Cl)cn2)CC1 218059382 MAAFRCRXLRUMIA-UHFFFAOYSA-N 349.847 1.966 70 50 EDIA C[C@@H](Cn1cccn1)C(=O)NCCc1noc(-c2ccccc2)n1 217180638 QFMHJSMARSVMNT-ZDUSSCGKSA-N 325.372 1.928 70 50 EDIA O=C(NCCc1noc(C2CC2)n1)c1ccccc1N1CCOCC1 218302762 KRHOGRLBGXAGJM-UHFFFAOYSA-N 342.399 1.756 70 50 EDIA CN1C[C@H](C(=O)NCCCCCc2nc3ccccc3n2C)CC1=O 218552850 YVMIMLDFLJSFSJ-CQSZACIVSA-N 342.443 1.881 70 50 EDIA Cn1ccnc1SCCNC(=O)c1ccccc1N1CCOCC1 217009252 FSEDALLFDSLRQQ-UHFFFAOYSA-N 346.456 1.779 70 50 EDIA Cc1nccn1CCC(=O)N[C@@H]1CCOC[C@H]1Oc1ccccn1 218754350 AAXNPBROBPUTQV-HUUCEWRRSA-N 330.388 1.329 70 50 EDIA O=C(COc1ccccc1O)NC1CCN(C2CCOCC2)CC1 218388129 IZISNECVWKTBDF-UHFFFAOYSA-N 334.416 1.531 70 50 EDIA O=S(=O)(F)c1cccc(S(=O)(=O)Nc2cccnc2O)c1 460094217 QZGVHKMTGOQACL-UHFFFAOYSA-N 332.334 1.246 70 50 EDIA CC(C)[C@H](NC(=O)c1cc(=O)n(-c2ccccc2)[nH]1)c1ncnn1C 218257552 FHGNWTSVDFJFPV-HNNXBMFYSA-N 340.387 1.421 70 50 EDIA CO[C@@H]1CCOC[C@H]1NC(=O)c1ccc(C)c(N2CCNC2=O)c1 218134717 BUUMRVOLLMUOIH-UKRRQHHQSA-N 333.388 1.058 70 50 EDIA C[C@H](NC(=O)c1ccc(CSc2nnc[nH]2)o1)c1cnn(C)c1 218087896 BYQGTYFKIVUJDN-VIFPVBQESA-N 332.389 1.915 70 50 EDIA CC1(C)[C@@H]2CC[C@@]1(C(=O)NC1CCN(S(=O)(=O)F)CC1)C(=O)C2 1875373471 BVLBZQBSXFLWTN-BMIGLBTASA-N 346.424 1.177 70 50 EDIA CC(C)[C@@H](CO)NC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2 218384201 DOSWJNOSKQCCCR-CYBMUJFWSA-N 331.372 1.595 70 50 EDIA CN(C)C[C@H](O)c1cc2n(n1)CCCN(Cc1nccn1C1CC1)C2 218328615 DSNWZESKRJFQKV-KRWDZBQOSA-N 344.463 1.415 70 50 EDIA COc1cncc([C@@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@H]2C[C@@H](O)C2)c1 218762020 MBDCVAWDJPQJQG-BNLOLNQZSA-N 342.399 1.933 70 50 EDIA COc1ccc(C(=O)N2CCn3nc([C@H](C)O)cc3C2)c(OC)n1 217166628 CAMBVBVZOYZCLL-JTQLQIEISA-N 332.360 1.005 70 50 EDIA COC(=O)C[C@H](c1ccc(O)cc1)c1c(O)c(C(=O)OC)c[nH]c1=O 218111622 AWXRVWZEUSWBLQ-LLVKDONJSA-N 347.323 1.268 70 50 EDIA biogenic O=C(Cc1c(F)ccc(F)c1F)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 217212630 XJLGWTWMXRYVRZ-LPQAMYBRSA-N 329.318 1.237 70 50 EDIA O=C(NCCN1CCOCC1)c1cnc2c(Cl)cccc2c1O 218203137 NFKDYKIHWUUJBI-UHFFFAOYSA-N 335.791 1.656 70 50 EDIA OCc1cc2n(n1)CCN(CCN1CCN(c3ccccc3)CC1)C2 217603523 DINLXLWJBJAYMW-UHFFFAOYSA-N 341.459 1.013 70 50 EDIA CC(C)[C@@H](NC(=O)c1cc(=O)n(-c2ccccc2)[nH]1)c1ncnn1C 218257486 FHGNWTSVDFJFPV-OAHLLOKOSA-N 340.387 1.421 70 50 EDIA CCO[C@H]1CN(Cc2ccc(OS(=O)(=O)F)cc2)C[C@@H]1CO 1875387701 UBWGKXNERWVKJJ-OCCSQVGLSA-N 333.381 1.109 70 50 EDIA Cc1cc(C)n(CC2CC2)c(=O)c1C(=O)NCCNc1ncccn1 218483140 CGSUOHLHTIXRMZ-UHFFFAOYSA-N 341.415 1.507 70 50 EDIA OC[C@@H](O)c1cc2n(n1)CCCN(CCn1cnc3ccccc31)C2 217576295 VOQHYBZXXDECBI-GOSISDBHSA-N 341.415 1.164 70 50 EDIA CC(C)[C@@H](CO)NC(=O)C1CCN(c2ccc(Cl)nn2)CC1 218290344 IQAIBVNPTZMYNT-GFCCVEGCSA-N 326.828 1.480 70 50 EDIA C[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)[C@@H](C)CO1 229066266 XCNUPWHBMHNUDN-UWVGGRQHSA-N 337.394 1.143 70 50 EDIA CCc1cnc(N2CCn3nc([C@H](O)c4nccn4C)cc3C2)nc1 218371712 RYHXAMXXLKFDRJ-HNNXBMFYSA-N 339.403 1.071 70 50 EDIA Cc1cnc2c(C(=O)N3CCCn4nc([C@@H](C)O)cc4C3)cnn2c1 216988626 WSTPVAHFYDMCPU-GFCCVEGCSA-N 340.387 1.334 70 50 EDIA Cc1ccncc1N(C)C(=O)c1cncc(OS(=O)(=O)F)c1 1875384386 GKJOQUUHSIEVMO-UHFFFAOYSA-N 325.321 1.655 70 50 EDIA CN(C(=O)c1cncc(OS(=O)(=O)F)c1)c1ccccc1C#N 1875384351 FUBVKLRHONAXMB-UHFFFAOYSA-N 335.316 1.823 70 50 EDIA CC1(C)C[C@@H](NC2CCN(CCS(C)(=O)=O)CC2)C(C)(C)O1 159995909 UCDUJGIKIKZQHI-CQSZACIVSA-N 332.510 1.431 70 50 EDIA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1c[nH]c(=O)c(Cl)c1 218485051 AMEYNMMHSOAWKO-KGLIPLIRSA-N 340.807 1.898 70 50 EDIA C[C@@H](Oc1ccc(F)cc1F)C(=O)NCCSc1nncn1C 217165087 ZOVQXEJARNECMK-SECBINFHSA-N 342.371 1.769 70 50 EDIA COCCNc1nc2cc(C(=O)NC[C@H]3CCCCO3)ccc2n1C 217640390 LKEZYDHAXSQXLB-CQSZACIVSA-N 346.431 1.931 70 50 EDIA C[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H]1C[C@@H](O)CN1 217812751 BSUPASSHSJJZIZ-WQAKAFBOSA-N 327.222 1.219 70 50 EDIA CN1CC(=O)N(CCCC(=O)N2CCc3c(Cl)cccc32)C1=O 161436968 LCVMAOPQJWITQD-UHFFFAOYSA-N 335.791 1.903 70 50 EDIA CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CCn1cnc3ccccc31)C2 217884297 XDJTUDFCJDGXPK-KGLIPLIRSA-N 326.400 1.506 70 50 EDIA COc1ccccc1N1CC[C@@H](NC(=O)c2ccn(C)c(=O)c2)C1 161151262 GBJVMYZFWMBKFF-CQSZACIVSA-N 327.384 1.403 70 50 EDIA CN1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc3c(=O)n(C)cnc3c1)C2 217748325 SYAYZSVNTVBFEC-GXTWGEPZSA-N 326.400 1.100 70 50 EDIA Cc1ccn2cc(CNC(=O)CC[C@@H](C)N3CCN(C)CC3)nc2c1 218589890 RTMLEWZMYGXAOP-MRXNPFEDSA-N 343.475 1.675 70 50 EDIA O=C1C[C@@H](C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)CCN1 159557129 HZALZYFRPNARJD-AWEZNQCLSA-N 349.862 1.947 70 50 EDIA O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCc1ccncc1 217788781 CRFQQVDZDOJHJA-AWEZNQCLSA-N 342.355 1.192 70 50 EDIA biogenic CN(CC(=O)N1CCCO[C@H](Cn2cccn2)C1)Cc1ccncc1 217933141 MTZRZJQFJCWEDO-KRWDZBQOSA-N 343.431 1.028 70 50 EDIA O[C@@H]1CCOC[C@H]1NC1CCN(c2ncc3ccc(F)cc3n2)CC1 217007557 PMLPERQOTVFLFH-IAGOWNOFSA-N 346.406 1.477 70 50 EDIA CC(C)[C@H]1OCC[C@@H]1CNC1CCN(CCN2CCOCC2)CC1 160871192 KTORDVAOGWNWTP-IEBWSBKVSA-N 339.524 1.434 70 50 EDIA CC(C)N(C(=O)c1cncc(OS(=O)(=O)F)c1)[C@@H]1CCOC1 1875382105 RAVYMFYXPQIHNB-LLVKDONJSA-N 332.353 1.314 70 50 EDIA COc1ccnc(CN2CCn3nc([C@H](O)C4CC4)cc3C2)c1OC 218320355 AMGBDVIUQRRBGK-QGZVFWFLSA-N 344.415 1.755 70 50 EDIA Cc1ccc(C(=O)N2CCC(C(=O)NC[C@H]3COCCO3)CC2)cc1 217211806 XIXPHKUUFRIYFG-KRWDZBQOSA-N 346.427 1.379 70 50 EDIA CCOc1ccc(C(=O)NC[C@@H](c2cccnc2)N2CCOCC2)o1 217767256 TYLBALKLHSBABP-HNNXBMFYSA-N 345.399 1.877 70 50 EDIA OC[C@@H](O)c1cc2n(n1)CCCN(Cc1cccc3cnccc13)C2 217169743 JFLHWXZLOHNODJ-LJQANCHMSA-N 338.411 1.863 70 50 EDIA CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1cc(C(N)=O)cs1 159452889 LZAIHCADMLZEMA-LBPRGKRZSA-N 345.490 1.141 70 50 EDIA COc1ccc2c(c1)C[C@@H](C(=O)NCCCn1ccccc1=O)CO2 217731757 UTYUNZYRRITYKB-OAHLLOKOSA-N 342.395 1.615 70 50 EDIA CNC[C@@H]1CCCN1C(=O)c1cc(CS(C)(=O)=O)c(C)s1 161264210 XSNLCWACBSDEKA-LBPRGKRZSA-N 330.475 1.425 70 50 EDIA CNC[C@@H]1CCCN1C(=O)CS(=O)(=O)c1ccc(Cl)cc1 161362602 PLKBPHHSWIIMKZ-LBPRGKRZSA-N 330.837 1.324 70 50 EDIA Cc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC(=O)N(C)C)s1 216951043 KRQDFXLTXXFBKP-OLZOCXBDSA-N 349.456 1.208 70 50 EDIA O=C(Cn1c(=O)oc2ccccc21)NCCc1noc(C2CCC2)n1 217781139 AIWXGJVSBSAFDL-UHFFFAOYSA-N 342.355 1.604 70 50 EDIA O=C(NCCc1ccncc1)c1cc(-n2cnnn2)ccc1Cl 218224820 ZBOGMNYWWONCFF-UHFFFAOYSA-N 328.763 1.683 70 50 EDIA Cc1n[nH]c(C2CC2)c1C(=O)N[C@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1 218719032 YFCRPEAHKNZPKT-WHOFXGATSA-N 329.404 1.571 70 50 EDIA Cc1[nH]c2c3c(F)cccc3nn2c(=O)c1CCC(=O)NCCCO 218161547 LSRWEDNGLNOOEO-UHFFFAOYSA-N 346.362 1.055 70 50 EDIA CC(C)(C)c1nsc(N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)n1 160169479 PGDUEGCLKRUYJA-UHFFFAOYSA-N 347.444 1.486 70 50 EDIA CC[C@@H](O)c1cc2n(n1)CCN(C(=O)CCc1nc(Cl)n[nH]1)C2 217800875 RRKGSFFLKFRGRI-LLVKDONJSA-N 338.799 1.073 70 50 EDIA O=S(=O)(F)Oc1ccc(S(=O)(=O)Nc2nccs2)cc1 1875374347 LMRJNVUGDCMZQM-UHFFFAOYSA-N 338.363 1.537 70 50 EDIA Cc1ccccc1-n1cc(CNC(=O)c2noc(C)c2CO)cn1 217844962 JZYSGCOSXHWSEU-UHFFFAOYSA-N 326.356 1.899 70 50 EDIA O=C(N[C@H](Cc1ccccn1)[C@H]1C[C@H](O)C1)c1cnc2cccnn12 218370187 ULFKMDQDAAIXLD-VHDGCEQUSA-N 337.383 1.236 70 50 EDIA O=C1CCN(c2ccccc2C(=O)N[C@@H]2C[C@@H]3OCC[C@@H]32)C(=O)N1 217005653 FVMUAHIHIUIQKO-QKCSRTOESA-N 329.356 1.040 70 50 EDIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cn(C)c2ccccc2c1=O 218301329 COYAHIMUNXNPKX-VYOUMLOHSA-N 342.395 1.318 70 50 EDIA C[C@@H](CO)NC(=O)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O 218373781 KUVTYNPMGFKZAX-KSSFIOAISA-N 338.407 1.751 70 50 EDIA O=C(NCCc1cn[nH]c1)C1CCN(C(=O)Cc2ccccc2)CC1 217077951 CHSPWAUJVQGERY-UHFFFAOYSA-N 340.427 1.550 70 50 EDIA C[C@H](CCO)NC(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 159619398 WFFRQKRDCVOUJB-CHWSQXEVSA-N 341.402 1.999 70 50 EDIA CCNC(=O)N1CCC(NC(=O)[C@H]2Cc3cc(C)ccc3N2)CC1 218713690 IMVTYKVLLXVOII-MRXNPFEDSA-N 330.432 1.642 70 50 EDIA CN(C[C@]1(C)CCCO1)C(=O)c1cncc(OS(=O)(=O)F)c1 1875385347 REUUMSQZBJDWLB-ZDUSSCGKSA-N 332.353 1.316 70 50 EDIA CCN1Cc2ccccc2C[C@@H]1C(=O)N1CCC(n2cnnc2)CC1 217915762 LYDGKTRXPNZIIG-GOSISDBHSA-N 339.443 1.888 70 50 EDIA COCc1nc(C)c(CNc2cc(C3CC(N)C3)nc(N)n2)s1 218002390 MDEXLCPAHZISTL-UHFFFAOYSA-N 334.449 1.787 70 50 EDIA COCCc1nc(CNC(=O)c2cc3c(cc2C)OCCO3)no1 218538986 HBRQFFJTARACFI-UHFFFAOYSA-N 333.344 1.268 70 50 EDIA O=C(NCc1ccco1)N[C@@H]1CCOC[C@H]1OCc1ccccn1 218027761 KEFLXSQWLSGSIQ-HZPDHXFCSA-N 331.372 1.848 70 50 EDIA O=C1CCN(c2ccccc2C(=O)NCC[C@H]2CCCCO2)C(=O)N1 216930508 OFUMYLGFRYRYFR-CYBMUJFWSA-N 345.399 1.822 70 50 EDIA Cn1ccnc1[C@@H](O)c1cc2n(n1)CCN(CCCc1ccco1)C2 218348061 BJZKKGHIEWOATJ-KRWDZBQOSA-N 341.415 1.740 70 50 EDIA C[C@@H](O)CN1CCC(CN(C)c2ccc(S(C)(=O)=O)cc2)CC1 159385331 QISSAPXUGDYHOU-CQSZACIVSA-N 340.489 1.619 70 50 EDIA CCN1C[C@H](CN(C)C(=O)c2cc(CC(C)C)nc(N)n2)CC1=O 217180762 WJAZOOVBDCZUNE-LBPRGKRZSA-N 333.436 1.198 70 50 EDIA CCn1cc([C@H](O)CN(Cc2ccccc2)S(=O)(=O)F)cn1 1875368303 HZGIVHFOBDYIKC-CQSZACIVSA-N 327.381 1.653 70 50 EDIA COc1cc(C)c(S(=O)(=O)N[C@H]2CCC(=O)N(C)C2)cc1C 160097631 XHECXZZWRDAXTE-LBPRGKRZSA-N 326.418 1.211 70 50 EDIA C[C@@H](NC(=O)c1ccc(CSc2nnc[nH]2)o1)c1cnn(C)c1 218087816 BYQGTYFKIVUJDN-SECBINFHSA-N 332.389 1.915 70 50 EDIA CN(CC[C@@H]1CCCCO1)C(=O)COc1cccc(-n2cnnn2)c1 217082405 IPWJFQJYHSGRRG-HNNXBMFYSA-N 345.403 1.459 70 50 EDIA CCc1noc([C@@H]2CCCN2C(=O)Cn2c(C)cc(C)nc2=O)n1 218309613 POXHONJVURLHNN-LBPRGKRZSA-N 331.376 1.169 70 50 EDIA COc1cc(C)cc(CNC(=O)N2CCC[C@H]2C(=O)NC2CC2)c1 160215733 BHYGIQLZBFOWGM-INIZCTEOSA-N 331.416 1.956 70 50 EDIA CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)Nc1nnc[nH]1 218514968 BHBHRRHLEROGOD-ZWNOBZJWSA-N 329.385 1.792 70 50 EDIA COC(=O)[C@H](CC(C)C)NC(=O)c1cn(C)c(=O)c2ccccc12 217913999 NPBRFNJGZRVTHX-HNNXBMFYSA-N 330.384 1.856 70 50 EDIA biogenic COc1ccc2[nH]c(CCN(C)C(=O)CN3CCOC3=O)nc2c1 218430035 SNWCCWXCRUEXQY-UHFFFAOYSA-N 332.360 1.025 70 50 EDIA CC1(C)COCCCN1C(=O)Cc1ccc(S(=O)(=O)F)cc1 2325893075 CTWIPTURPZMJHS-UHFFFAOYSA-N 329.393 1.915 70 50 EDIA O=C(NCc1cnc2cnccn12)c1ccccc1N1CCOCC1 217896887 UEYVLHUHYWBUHA-UHFFFAOYSA-N 337.383 1.496 70 50 EDIA O=C(CC[C@@H]1NC(=O)N(c2ccccc2)C1=O)NCc1ccccn1 218506316 HSZJLGNPANRCIQ-HNNXBMFYSA-N 338.367 1.603 70 50 EDIA COC[C@H](NC(=O)c1cc(=O)n(-c2ccccc2)[nH]1)c1ccnn1C 218157339 JCHCLUBHZYQWEW-AWEZNQCLSA-N 341.371 1.017 70 50 EDIA CN(Cc1cnccn1)C(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 217837016 LLPAWHMTNJAQAL-GFCCVEGCSA-N 328.347 1.627 70 50 EDIA Cc1ccn(-c2ccccc2NC(=O)[C@@H]2CCCN(C(N)=O)C2)n1 161168825 YVNWRECNQQOJBK-CYBMUJFWSA-N 327.388 1.910 70 50 EDIA CCn1cnnc1[C@H]1CCCN(CC(=O)NCc2ccc(F)cc2)C1 161341532 NGNVBLDREFZBKV-HNNXBMFYSA-N 345.422 1.933 70 50 EDIA CC1(C)C[C@H](NC(=O)c2cncc(OS(=O)(=O)F)c2)CCO1 1875385280 QAUWAKSPMHBPCE-SNVBAGLBSA-N 332.353 1.362 70 50 EDIA CCOC(=O)C1=C(OS(=O)(=O)C(F)(F)F)C2CCN1CC2 101174907 HKEUXHRKIVBJQZ-UHFFFAOYSA-N 329.296 1.353 70 50 EDIA CC1CCN(Cc2ccc(C(=O)N(C)C[C@H]3COCCO3)o2)CC1 217812739 WWVHVRCCVYNFAN-INIZCTEOSA-N 336.432 1.999 70 50 EDIA O=C(N[C@@H]1CCOC[C@H]1Oc1ccccn1)c1cn2ccsc2n1 218668637 CZXIBIXFPOZVCZ-DGCLKSJQSA-N 344.396 1.757 70 50 EDIA COC[C@@H]1[C@@H](NS(=O)(=O)c2ccc(C)cc2OC)[C@@H]2CCO[C@@H]21 218679405 VEULGTGOSCZRNZ-VZAMPYOESA-N 341.429 1.332 70 50 EDIA CCO[C@H]1C[C@@H](NC(=O)c2cn(C3CCNCC3)nn2)C12CCCC2 159551105 FSAUIMMTSPKNQD-CVEARBPZSA-N 347.463 1.670 70 50 EDIA O=C(Cc1noc2ccccc12)N1CCCn2nc(CO)cc2C1 216961055 ALMABNGBGDWVNI-UHFFFAOYSA-N 326.356 1.492 70 50 EDIA O=C(NCCN1CCOCC1)c1cnc2cc(Cl)ccc2c1O 218371585 SHGNGGITXVSXEU-UHFFFAOYSA-N 335.791 1.656 70 50 EDIA CNC[C@H]1CCCN1C(=O)CS(=O)(=O)c1ccc(Cl)cc1 161362716 PLKBPHHSWIIMKZ-GFCCVEGCSA-N 330.837 1.324 70 50 EDIA OCc1cc2n(n1)CCCN(Cc1cnc(N3CCCC3)s1)C2 217212103 NLJNCQIQEOEDBS-UHFFFAOYSA-N 333.461 1.838 70 50 EDIA N[C@H]1CC[C@@H](C(=O)N2CCc3nnc(Cc4ccccc4)n3CC2)C1 216910970 QRXVFLPWSNFTBI-CVEARBPZSA-N 339.443 1.381 70 50 EDIA COc1ccc(F)c(F)c1C(=O)NCCSc1nncn1C 217373387 PFWKRQIUAIAPQZ-UHFFFAOYSA-N 328.344 1.624 70 50 EDIA Cc1cc(C)n(CCNC(=O)[C@H]2Cc3cc(Cl)ccc3N2)c(=O)n1 218119482 RWMMFJZQPOKXRX-OAHLLOKOSA-N 346.818 1.667 70 50 EDIA Cc1noc2ncnc(N3CCN(Cc4ccco4)C[C@@H](O)C3)c12 217691273 RPWIUKGGMVOKEQ-GFCCVEGCSA-N 329.360 1.202 70 50 EDIA CCO[C@@H]1C[C@@H](NC(=O)c2cn(C3CCNCC3)nn2)C12CCCC2 159550970 FSAUIMMTSPKNQD-HZPDHXFCSA-N 347.463 1.670 70 50 EDIA CN(CCO)CC(=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 218277078 ZAXKVOAUXPTPPH-KJXMEXGPSA-N 343.427 1.087 70 50 EDIA Cn1nccc1[C@@H](O)c1cc2n(n1)CCN(CCc1ccccc1)C2 218486879 RTAMSSFOLPYHTG-IBGZPJMESA-N 337.427 1.757 70 50 EDIA COc1cccc([C@@H]2CCN(C(=O)Cn3ccc(=O)cc3)C2)c1OC 218773670 IUAWWKMYLMLRAL-CQSZACIVSA-N 342.395 1.882 70 50 EDIA CN(C)C[C@H](O)c1cc2n(n1)CCCN(CCc1ccccc1)C2 218048625 FALAMRXLFDEKFT-IBGZPJMESA-N 328.460 1.927 70 50 EDIA O=S(=O)(CCN1CCCn2nc(CO)cc2C1)c1ccccc1 217063875 CMJMJCOVYZYOIE-UHFFFAOYSA-N 335.429 1.055 70 50 EDIA CN(C)C(=O)C[C@H](O)c1cc2n(n1)CCN(Cc1cccs1)C2 218549758 XNENESVNBZSFSO-HNNXBMFYSA-N 334.445 1.472 70 50 EDIA O=C(c1cc(C(F)(F)F)n[nH]1)N1CCCn2nc(CO)cc2C1 217198115 IEDPLONFBDBHMI-UHFFFAOYSA-N 329.282 1.163 70 50 EDIA Cc1cc2c(cc1C(=O)N[C@H]1[C@H]3CCO[C@H]3[C@@H]1N(C)C)OCCO2 218291236 YYURHJUWCGFZGT-GLZXHMCRSA-N 332.400 1.214 70 50 EDIA CCN1Cc2ccccc2C[C@H]1C(=O)NCCSc1nncn1C 217658766 RVXBWBKSBARBPK-HNNXBMFYSA-N 345.472 1.470 70 50 EDIA Cc1cc([C@@H]2CCCN2C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)on1 218591988 QOZLOESKISKICM-ZDUSSCGKSA-N 340.339 1.490 70 50 EDIA O=C(c1ccn(C(F)F)n1)N1CCCC[C@@H]1CN1CCOCC1 218306636 YIPJZEPCIBUJEO-GFCCVEGCSA-N 328.363 1.605 70 50 EDIA Cc1occc1C(=O)N1CCCN(S(=O)(=O)N2CCCC2)CC1 217576829 JPHWFXZFUQTPSE-UHFFFAOYSA-N 341.433 1.077 70 50 EDIA CN1C[C@@]2(CCCN(C(=O)Cn3ncc4ccccc43)C2)OC1=O 217372411 FQNSIDYWVPMLGV-QGZVFWFLSA-N 328.372 1.480 70 50 EDIA CN1CCN(C)[C@@H](CC(=O)N2CCC(O)(c3ccc(F)cc3)CC2)C1 216924400 HUGQYCDMMCYQFW-KRWDZBQOSA-N 349.450 1.272 70 50 EDIA Cc1nc(C(=O)NC[C@H](C(C)C)N2CCC(C)CC2)c(=O)[nH]c1C 160006901 KCJREAUZRYKGGG-OAHLLOKOSA-N 334.464 1.873 70 50 EDIA C#Cc1cccc(N(C)C(=O)c2cncc(OS(=O)(=O)F)c2)c1 1875383725 AGDABOHCIZXJFM-UHFFFAOYSA-N 334.328 1.933 70 50 EDIA COC(=O)C[C@H](c1oc(CN2CCOCC2)cc(=O)c1O)C(C)C 217610597 AYDBWANNIVIPSA-ZDUSSCGKSA-N 339.388 1.480 70 50 EDIA biogenic O=C([C@H]1CCC[C@@H](O)C1)N1CCN(C2Cc3ccccc3C2)CC1 218390856 LIVWYBLWBCVVBC-PKOBYXMFSA-N 328.456 1.849 70 50 EDIA Cn1cc([C@H](NC(=O)c2cnc3ccccc3n2)C2CC(O)C2)cn1 218040760 RVLVINUBJCVJRQ-FWXSHLFISA-N 337.383 1.605 70 50 EDIA Nc1nc(CCC(=O)N[C@@H]2CCOC[C@H]2Oc2ccccn2)cs1 218203474 USTSVNAVTMZELU-CHWSQXEVSA-N 348.428 1.406 70 50 EDIA CC1(C(=O)NCc2nccc(N)n2)CCN(Cc2ccccc2)CC1 159448095 IZUUTVGGRDVHFF-UHFFFAOYSA-N 339.443 1.977 70 50 EDIA Cc1ccnc(N(C)C(=O)c2cncc(OS(=O)(=O)F)c2)c1 1875384354 FYFMLBINBXNDJT-UHFFFAOYSA-N 325.321 1.655 70 50 EDIA COc1cc2c(cc1CN1CCn3nc([C@H](O)CO)cc3C1)CCC2 217019770 YVOKUFVPRKZZKZ-GOSISDBHSA-N 343.427 1.422 70 50 EDIA Cc1cccc(=O)n1CCCNC(=O)c1scc2c1OCCO2 216975978 SIYOEHXXRGZKDR-UHFFFAOYSA-N 334.397 1.810 70 50 EDIA COC(=O)C[C@H](C)CC(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875385324 QXDJFEOCXKQODM-SECBINFHSA-N 333.337 1.808 70 50 EDIA Nc1nc2c(c(C(=O)NC[C@H]3COc4ccccc4O3)n1)CCCC2 216951612 XGAYXITVIMGMOH-NSHDSACASA-N 340.383 1.507 70 50 EDIA C#CC1(CNS(=O)(=O)c2cc(S(=O)(=O)F)cs2)CCC1 2325890753 GGRLMXWHGSBQQJ-UHFFFAOYSA-N 337.419 1.488 70 50 EDIA Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1COCC[C@@H]1OCC1CC1 218234635 SYWLHZQEGOUVLL-CABCVRRESA-N 343.420 1.997 70 50 EDIA Cc1n[nH]c([C@H]2CCCN2C(=O)CN2CCOc3ccccc3C2)n1 217903174 DWGRZEAFCYDQRF-OAHLLOKOSA-N 341.415 1.671 70 50 EDIA O=C1N[C@]2(C(=O)Nc3ccc(O)cc3)CCC(=O)N2c2ccccc21 217989157 ORDQAFKFXHHNAC-GOSISDBHSA-N 337.335 1.597 70 50 EDIA biogenic O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cccc(F)n2)cc1 460096014 WEYSCCSXRCGZCN-UHFFFAOYSA-N 334.325 1.680 70 50 EDIA CC(C)(C)c1oc(C(N)=O)cc1CN1CCCn2nc(CO)cc2C1 217513601 WPNNJQIHUQQXRJ-UHFFFAOYSA-N 346.431 1.771 70 50 EDIA COCCNC(=O)N1CCn2nc([C@H](O)c3ccccc3)cc2C1 217772652 AIRAPGNDKLUAFZ-MRXNPFEDSA-N 330.388 1.136 70 50 EDIA CC[C@@H](C)[C@@H](CO)NC(=O)CCc1nnc2ccc(OC(C)C)nn12 218331736 LPZNHKMSPANFIH-CHWSQXEVSA-N 349.435 1.367 70 50 EDIA COc1cc(C)cc(CNC(=O)N2CCC[C@@H]2C(=O)NC2CC2)c1 160215598 BHYGIQLZBFOWGM-MRXNPFEDSA-N 331.416 1.956 70 50 EDIA CC[C@@H]1CN(C(=O)c2cncc(OS(=O)(=O)F)c2)[C@H](C)CO1 1875383758 AMBQBXOJXSFOPZ-MWLCHTKSSA-N 332.353 1.314 70 50 EDIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)Cc1ccc(OC)cc1OC 218314350 FMOVNHYVOXLGKW-JFTQMJAMSA-N 335.400 1.412 70 50 EDIA Cc1nn(-c2ccccn2)c(C)c1[C@@H](CC(N)=O)c1c(C)[nH][nH]c1=O 218178299 IGXYHQLDTLSAPN-GFCCVEGCSA-N 340.387 1.216 70 50 EDIA Nc1cc(O)nc(CCNC(=O)c2ccccc2N2CCCC2)n1 218446957 ODSOLIBCLJKZAW-UHFFFAOYSA-N 327.388 1.337 70 50 EDIA Cc1onc(-c2ccncc2)c1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C 159719267 XYQIZFBUYLTFTA-UONOGXRCSA-N 328.372 1.200 70 50 EDIA Cc1cc(C[C@H](C)NC(=O)Nc2ccnn2C[C@@H]2CCOC2)n[nH]1 159598284 YYEHRCISXRPLME-AAEUAGOBSA-N 332.408 1.704 70 50 EDIA CCOc1ccc(C(=O)N2CCN(c3ccc4nccn4n3)CC2)o1 218613560 HAUJYBSNFXIWET-UHFFFAOYSA-N 341.371 1.683 70 50 EDIA Cc1csc(S(=O)(=O)N[C@H](c2cnn(C)c2)C2CC(O)C2)c1 218154612 RJBOZFKEILKWEE-OVGLSYRBSA-N 341.458 1.581 70 50 EDIA Cc1cc(N)n(CC(=O)NCCc2csc(-c3ncccn3)n2)n1 218420591 XZFDFHUKUNASNW-UHFFFAOYSA-N 343.416 1.046 70 50 EDIA Oc1cc(N2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)ncn1 217155059 NEDVJYRLTAMWQY-SFHVURJKSA-N 337.383 1.871 70 50 EDIA COC(=O)c1csc(NC(=O)N2CCC[C@H](n3cncn3)C2)c1 160725073 IQGRJXRQNVLFAU-NSHDSACASA-N 335.389 1.995 70 50 EDIA Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)N1CCN(C)CC1 218540110 OHDIVWPGQAMCMT-OAHLLOKOSA-N 333.432 1.032 70 50 EDIA Cc1cc(C[C@H](C)NC(=O)Nc2ccnn2C[C@H]2CCOC2)n[nH]1 159598547 YYEHRCISXRPLME-WCQYABFASA-N 332.408 1.704 70 50 EDIA COCCc1noc([C@@H]2CCCN(C(=O)CCc3cccnc3)C2)n1 218162009 XRIJKWBIRSXRSQ-OAHLLOKOSA-N 344.415 1.992 70 50 EDIA COc1cccc(N2CCN(C(=O)[C@H]3CC(=O)OC3(C)C)CC2)c1 218487777 FTSKRIZXYPEEPQ-OAHLLOKOSA-N 332.400 1.686 70 50 EDIA CCCOCC(=O)N1CCn2nc([C@H](O)Cc3ccccc3)cc2C1 218603490 OLWPHHURSQVHSQ-GOSISDBHSA-N 343.427 1.928 70 50 EDIA O=C1NC[C@]2(CCCN(C(=O)c3cc(-c4ccsc4)n[nH]3)C2)O1 217126995 BBCXXZFELWHXKT-HNNXBMFYSA-N 332.385 1.853 70 50 EDIA CC(=O)c1c(C)nn(CCC(=O)N2CCC[C@@H]2c2nc(C)n[nH]2)c1C 218074252 DRPIJUUCIRBKHX-CQSZACIVSA-N 344.419 1.883 70 50 EDIA O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N1CCOCC2(CCOCC2)C1 160364950 WWTYQICTIJVYPY-HZPDHXFCSA-N 338.448 1.783 70 50 EDIA NS(=O)(=O)c1ccc2c(c1)N(Cc1cnc3ccccn13)CCC2 160545428 HSHCKZTZXHGDEX-UHFFFAOYSA-N 342.424 1.935 70 50 EDIA CCO[C@@H]1CN(Cc2ccc(OS(=O)(=O)F)cc2)C[C@@H]1CO 1875387702 UBWGKXNERWVKJJ-TZMCWYRMSA-N 333.381 1.109 70 50 EDIA COCCn1cncc1CNC(=O)c1ccccc1N1CCOCC1 218314455 JTEOTXUKKVMDLZ-UHFFFAOYSA-N 344.415 1.296 70 50 EDIA O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1cscn1 218691724 YFGUPLSAOHQQBF-ZYHUDNBSSA-N 325.415 1.704 70 50 EDIA CCc1n[nH]c(SCC(=O)NC[C@@H]2OCCc3ccccc32)n1 216913255 RVSCJLKEJVEKJG-ZDUSSCGKSA-N 332.429 1.889 70 50 EDIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1cccc(O)c1 217703740 IHTOEEGQWYVINA-NSHDSACASA-N 329.308 1.698 70 50 EDIA biogenic Cc1cc(C(=O)N2CCCN(Cc3cccnc3)CC2)nc(N)n1 216942819 UEXOFRQMSKRAPR-UHFFFAOYSA-N 326.404 1.110 70 50 EDIA O=C(COc1cccnc1)N1CCCC[C@@H]1CCN1CCOCC1 218554133 WWUVTEPUMJZUTA-MRXNPFEDSA-N 333.432 1.564 70 50 EDIA O=C(N[C@H]1CCOC2(CCCCC2)C1)c1cnc2n(c1=O)CCS2 161477844 JOKSTIKRUWAMQV-LBPRGKRZSA-N 349.456 1.961 70 50 EDIA Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N1CCNC(=O)C1)O2 217923758 AECMHKSQFJWDNV-SFHVURJKSA-N 332.400 1.360 70 50 EDIA Nc1nc2c(c(C(=O)NC[C@@H]3COc4ccccc4O3)n1)CCCC2 216951592 XGAYXITVIMGMOH-LLVKDONJSA-N 340.383 1.507 70 50 EDIA Cc1c(C(=O)N2CCC[C@@H]2CN)nnn1-c1cccc2cccnc12 160213705 XVTFTUFIXHGBGE-CQSZACIVSA-N 336.399 1.687 70 50 EDIA Cc1cc(C[C@H](C)NC(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)n[nH]1 161484761 SZAKRZHRTBTGNV-JTQLQIEISA-N 343.387 1.826 70 50 EDIA O=C(c1cccc2[nH]cnc12)N1CCCC[C@@H]1CN1CCOCC1 159487624 AACFQVJWAMPUKJ-CQSZACIVSA-N 328.416 1.890 70 50 EDIA O=C([C@H](c1ccccc1)n1cnnn1)N1CCC(c2ccncn2)CC1 218632031 XECWBNRLLNVILE-KRWDZBQOSA-N 349.398 1.459 70 50 EDIA CSCC[C@H](NC(C)=O)C(=O)N1CC(Oc2ccccc2F)C1 217144645 OSVLAIVVPVEOSB-AWEZNQCLSA-N 340.420 1.673 70 50 EDIA Cc1ocnc1C(=O)N[C@H]1C[C@@H](c2nnc(Cn3cccn3)n2C)C1 218375688 BLQXOGHRZIBHNI-HAQNSBGRSA-N 341.375 1.032 70 50 EDIA O=C(c1cncc(OS(=O)(=O)F)c1)N1[C@H]2CCC[C@H]1COC2 1875383853 BLYUGXIXIKWTSF-QWRGUYRKSA-N 330.337 1.068 70 50 EDIA COc1ccc2cc([C@H](C)C(=O)NCc3n[nH]c(=O)[nH]3)ccc2c1 217074675 BUVPODMQAITVNY-JTQLQIEISA-N 326.356 1.680 70 50 EDIA Cc1cc(C)n(CC(=O)N2CCCC[C@H]2c2nc(C)no2)c(=O)n1 218176179 UNHNEJJHLCIVBI-ZDUSSCGKSA-N 331.376 1.305 70 50 EDIA COc1cc(C=O)cc([N+](=O)[O-])c1OS(=O)(=O)C(F)(F)F 100088591 UJHAJLHOIGFTGF-UHFFFAOYSA-N 329.208 1.644 70 50 EDIA in-vitro COC[C@@H]1[C@@H](NC(=O)CCN2Cc3ccccc3C2=O)[C@@H]2CCO[C@@H]21 218359039 WVZIYPOOZHPUDH-MVJTYMMSSA-N 344.411 1.199 70 50 EDIA CC(C)Oc1ccc2nnc(CCCC(=O)N[C@H](CO)C(C)C)n2n1 218131609 AQXMVVSKYOAMEE-CYBMUJFWSA-N 349.435 1.367 70 50 EDIA CS(=O)(=O)NCC[C@H]1CCCCN1Cc1cc(C(N)=O)cs1 159453018 LZAIHCADMLZEMA-GFCCVEGCSA-N 345.490 1.141 70 50 EDIA COCC(=O)Nc1ccc(NC2=CC(=O)N(C(C)=O)C2)cc1Cl 218447168 OSHULZIFXDLKMV-UHFFFAOYSA-N 337.763 1.609 70 50 EDIA C[C@H](O)CN1CCC(CN(C)c2ccc(S(C)(=O)=O)cc2)CC1 159385225 QISSAPXUGDYHOU-AWEZNQCLSA-N 340.489 1.619 70 50 EDIA CN(C)[C@H]1CCCN(Cc2ccc(OCCN3CCOCC3)cc2)C1 217044894 HKUYFISTPBWVGF-IBGZPJMESA-N 347.503 1.924 70 50 EDIA COCCNc1nc2cc(C(=O)NC[C@@H]3CCCCO3)ccc2n1C 217640294 LKEZYDHAXSQXLB-AWEZNQCLSA-N 346.431 1.931 70 50 EDIA O=C(Cn1ncc2ccccc21)N1CCCO[C@@H](Cn2cccn2)C1 217164249 TULGKOAPEHJHDK-MRXNPFEDSA-N 339.399 1.551 70 50 EDIA C[C@@H](O)c1cc2n(n1)CCCN(C(=O)C1(Cn3ccnc3)CC1)C2 217541488 SJICWFARHATJMY-CYBMUJFWSA-N 329.404 1.346 70 50 EDIA COc1nc(C)nc(N2CCC(c3ccnn3CCO)CC2)c1C 159368767 BIYKFTYRPLUDHE-UHFFFAOYSA-N 331.420 1.675 70 50 EDIA Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCc1n[nH]c(=O)[nH]1)O2 217741139 OGAIGAZRJWEAPC-KRWDZBQOSA-N 346.387 1.129 70 50 EDIA CN(C)c1cc(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)ccn1 1875385469 UESMBJPUXFNJBB-UHFFFAOYSA-N 339.348 1.993 70 50 EDIA Cc1nc(C2CC(O)C2)cc(N2CCN(c3cccnc3)CC2)n1 218660216 WAWQPPWPFPJODT-UHFFFAOYSA-N 325.416 1.745 70 50 EDIA Cc1n[nH]c([C@H]2CCCN2C(=O)CCN2Cc3ccccc3C2=O)n1 217510227 SBZXGPOWCZDHAQ-OAHLLOKOSA-N 339.399 1.823 70 50 EDIA CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCC(c2ccn[nH]2)CC1 159912989 WLYXDJSBFVGQOM-LLVKDONJSA-N 328.438 1.122 70 50 EDIA O=S(=O)(F)c1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](F)C2)cc1 1776007685 UAERTDSYQISFSF-RKDXNWHRSA-N 325.358 1.514 70 50 EDIA Cn1nccc1[C@@H](O)c1cc2n(n1)CCN(c1ncc(Cl)cn1)C2 218271215 BOOKMRCOJWDLMI-AWEZNQCLSA-N 345.794 1.162 70 50 EDIA COc1cn(CC(=O)Nc2ccc3c(c2)ncn3C)c(C)cc1=O 218402628 QXDGGEKYJWLWPI-UHFFFAOYSA-N 326.356 1.691 70 50 EDIA Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)CCn1cccn1 218763888 CQUFTTFLDCKPNG-CVEARBPZSA-N 348.403 1.369 70 50 EDIA COCc1nc2n(n1)C[C@H](NC(=O)N1CCc3ccccc31)CC2 160618617 OKHKOSJUVWJKHG-CYBMUJFWSA-N 327.388 1.512 70 50 EDIA CCn1cnnc1[C@@H]1CCCN([C@@H](C)C(=O)Nc2cc(C)no2)C1 161284896 FIEOLQWJSJRAPI-QWHCGFSZSA-N 332.408 1.801 70 50 EDIA CC1(C)C[C@H](NC2CCN(CCS(C)(=O)=O)CC2)C(C)(C)O1 159995787 UCDUJGIKIKZQHI-AWEZNQCLSA-N 332.510 1.431 70 50 EDIA Cc1oc(C(C)C)cc1C(=O)N1CCn2nc([C@@H](O)CO)cc2C1 217926257 HQPJNDBEHGOLKM-HNNXBMFYSA-N 333.388 1.590 70 50 EDIA Cc1ccnc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1 460088605 CYPDXRLKFYSTPZ-UHFFFAOYSA-N 330.362 1.849 70 50 EDIA COCCNC(=O)N1CCn2nc([C@@H](O)c3ccccc3)cc2C1 217772568 AIRAPGNDKLUAFZ-INIZCTEOSA-N 330.388 1.136 70 50 EDIA NC[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 160382079 RGSPSCVYMRWXTE-JTQLQIEISA-N 336.335 1.543 70 50 EDIA O=C(C[C@@H]1C=CS(=O)(=O)C1)NCCc1noc(-c2ccccc2)n1 217214885 JDDBUIFWBCSNPU-LBPRGKRZSA-N 347.396 1.344 70 50 EDIA CC(C)(O)CN1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 160941669 FJFNWDCOBAWBHJ-ZNMIVQPWSA-N 337.464 1.042 70 50 EDIA CC[C@H]1C[C@@H](NC(=O)c2cncc(OS(=O)(=O)F)c2)CCO1 1875384920 KASYGGVKIWEILQ-QWRGUYRKSA-N 332.353 1.362 70 50 EDIA O=C(CSc1ccccn1)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1 218114191 IMQHTKOACOTAQJ-VJUNAUMWSA-N 333.457 1.542 70 50 EDIA C[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)[C@H](C)CO1 166144683 XCNUPWHBMHNUDN-ZJUUUORDSA-N 337.394 1.143 70 50 EDIA C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCC[C@H]1CN 160221874 MMDGYMGSRZFAMD-AAEUAGOBSA-N 328.409 1.185 70 50 EDIA Cc1ccc(O[C@H]2COCC[C@H]2NS(=O)(=O)CC(C)C)cn1 218364268 WSVKPBXHUXJZFM-CABCVRRESA-N 328.434 1.502 70 50 EDIA CN(Cc1nc2ccsc2c(=O)[nH]1)c1ncc(C(N)=O)cc1Cl 160635562 KLNLVSIPOQDXBA-UHFFFAOYSA-N 349.803 1.768 70 50 EDIA O=C(CCc1ccc(S(=O)(=O)F)cc1)N[C@H]1CCCCNC1=O 952994182 WENCXWBDSSVNTO-ZDUSSCGKSA-N 342.392 1.062 70 50 EDIA CN(C(=O)c1cncc(OS(=O)(=O)F)c1)C1(C)CCOCC1 1875383714 ADHOVALJLJLISZ-UHFFFAOYSA-N 332.353 1.316 70 50 EDIA Cn1ccnc1CN1CCN(C(=O)[C@H]2CCc3ccccc3C2)CC1 217203084 BDFJHSCRIRUKRZ-SFHVURJKSA-N 338.455 1.869 70 50 EDIA Cn1ccnc1CN1CCN(C(=O)[C@H](O)c2ccc(Cl)cc2)CC1 217207578 LRSFRPWCBDUEOX-MRXNPFEDSA-N 348.834 1.451 70 50 EDIA C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O 159850646 KNLGDMBXGTVYPT-AFAVFJNCSA-N 339.395 1.971 70 50 EDIA O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@H](c2ccncn2)C1 217628012 RWHYAHJTZRQJEL-AWEZNQCLSA-N 349.394 1.593 70 50 EDIA COc1cc(C(=O)N[C@@H]2CCOC[C@H]2OCCO)c2ccccc2n1 218358629 GVTKXCPRCLIVFN-HZPDHXFCSA-N 346.383 1.140 70 50 EDIA Cn1nccc1[C@@H](O)c1cc2n(n1)CCN(C1Cc3ccccc3C1)C2 218366988 IEJWKNCNHDUYSV-FQEVSTJZSA-N 349.438 1.681 70 50 EDIA O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCc1ccncc1 217801714 NHGVWPXXONOAIQ-HNNXBMFYSA-N 338.367 1.209 70 50 EDIA biogenic C[C@@H]1CSc2ccccc2N(C(=O)c2cn(CC(N)=O)nn2)C1 159538965 URAILNFUSYERCR-JTQLQIEISA-N 331.401 1.152 70 50 EDIA CSCC[C@H](NC(C)=O)C(=O)N1CCC(c2noc(C)n2)CC1 217377695 WUQCTYDCGZXXSV-ZDUSSCGKSA-N 340.449 1.342 70 50 EDIA COc1cccnc1C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875385414 SONCFOAOBZJRGS-UHFFFAOYSA-N 326.305 1.936 70 50 EDIA O=C(c1scc2c1CCCC2)N1CCn2nc([C@@H](O)CO)cc2C1 217002401 IOKNGTPDWULELE-HNNXBMFYSA-N 347.440 1.505 70 50 EDIA CN1CCC2(CCC1=O)CCN(c1cc(C3CC(N)C3)ncn1)CC2 218106991 MNDXNGQADPZRJB-UHFFFAOYSA-N 343.475 1.910 70 50 EDIA Cn1cc(C(C)(C)C(=O)Nc2cccc(S(=O)(=O)F)c2)cn1 460094170 PGSZRDFODVDUMG-UHFFFAOYSA-N 325.365 1.995 70 50 EDIA COCCn1c(C)cc(C)c(C(=O)NCCCn2ccnc2)c1=O 218556936 BZJVGQUDUMPTHA-UHFFFAOYSA-N 332.404 1.128 70 50 EDIA COCC(=O)N1CCCN(C(=O)c2ccc3c(c2)CCCC3)CC1 218611443 JVCFCXGHZRQGGW-UHFFFAOYSA-N 330.428 1.886 70 50 EDIA CCOc1ccc(C(=O)NC[C@@H](c2ccccn2)N2CCOCC2)o1 217059588 XEUPNXZBOSGZHJ-HNNXBMFYSA-N 345.399 1.877 70 50 EDIA COc1ccccc1N1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 161055191 HOFNVSAOOLXZLB-GFCCVEGCSA-N 328.372 1.131 70 50 EDIA O=C(CCc1ccc(F)c(F)c1)N[C@@H]1COCC[C@@H]1OCCO 218161729 VGESNZHJEGRAIN-CABCVRRESA-N 329.343 1.180 70 50 EDIA Cc1cccc2nc(C(=O)N[C@H](c3cnn(C)c3)C3CC(O)C3)cn12 218539327 AQSSVKKCAUSXHA-AJUCZRQESA-N 339.399 1.618 70 50 EDIA COCCn1c(C)cc(C)c(C(=O)Nc2n[nH]c(C(C)C)n2)c1=O 218470926 SIGYJIYNFYNAQQ-UHFFFAOYSA-N 333.392 1.605 70 50 EDIA CSCC[C@@H](CO)NC(=O)Cc1c(C)nn(-c2ccccn2)c1C 218361549 XVZPOEXMVAXWPT-AWEZNQCLSA-N 348.472 1.657 70 50 EDIA CS(=O)(=O)NC1CCN(C(=O)[C@@H]2CCc3ccccc3C2)CC1 218297102 RPYVSHHNSQVYEJ-OAHLLOKOSA-N 336.457 1.332 70 50 EDIA CC(C)c1nnc(NC(=O)CCCc2nnc3ccc(Cl)nn23)[nH]1 218206409 IYYNMBPKWZFLMP-UHFFFAOYSA-N 348.798 1.981 70 50 EDIA COc1cccc(N2CCN(C(=O)[C@@H]3CC(=O)OC3(C)C)CC2)c1 218487705 FTSKRIZXYPEEPQ-HNNXBMFYSA-N 332.400 1.686 70 50 EDIA O=C(c1cc(F)ccc1F)N1CCN(c2ccc3nccn3n2)CC1 216980934 QUMGSCBRKXHSRF-UHFFFAOYSA-N 343.337 1.970 70 50 EDIA COc1cccc(N2C[C@@H](NC(=O)c3cc(CO)ccn3)CC2=O)c1 218311165 ZLFHZUDDOVEUFV-ZDUSSCGKSA-N 341.367 1.118 70 50 EDIA C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCOC[C@@H]1[C@@H]1CCCCC1=O 160543473 IGNSLWAADOQWKQ-MELADBBJSA-N 338.448 1.524 70 50 EDIA Cc1cc(C)n(CC(=O)N2CCCC[C@@H]2c2nc(C)no2)c(=O)n1 218176270 UNHNEJJHLCIVBI-CYBMUJFWSA-N 331.376 1.305 70 50 EDIA N#C[C@@H]1CC(F)(F)CN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875321867 YSSDUSICIJKFKG-QMMMGPOBSA-N 335.263 1.048 70 50 EDIA COCc1cc(CNC(=O)[C@H](c2ccc3c(c2)OCO3)N(C)C)n[nH]1 218191793 FHOYIWKNORBYIE-INIZCTEOSA-N 346.387 1.204 70 50 EDIA Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccc(OC(F)(F)F)cc1 218258442 ULVFDULICGHVBY-SNVBAGLBSA-N 329.278 1.917 70 50 EDIA Cc1n[nH]c([C@@H]2CCCN2C(=O)CN2CCOc3ccccc3C2)n1 217903109 DWGRZEAFCYDQRF-HNNXBMFYSA-N 341.415 1.671 70 50 EDIA COc1ccc(C(=O)N[C@H]2CCCN(c3cnccn3)C2)c(OC)n1 217385124 QYBUDHDWAJTMHL-LBPRGKRZSA-N 343.387 1.288 70 50 EDIA Cc1cc(C(F)(F)F)n2nc(C(=O)N[C@@H]3C[C@@H]4OCC[C@@H]43)cc2n1 217406526 LTYBVBWXVQYHNN-KKZNHRDASA-N 340.305 1.964 70 50 EDIA COc1ccc(N2C(=O)N[C@@H](CC(=O)NCCC(C)C)C2=O)cc1 218569596 LHYSRLNLFJSQLJ-AWEZNQCLSA-N 333.388 1.672 70 50 EDIA COC1(C(=O)N2CCO[C@@H](c3ccc(C)cc3C)C2)CCNCC1 160417267 HJFZKKWEVHLJBW-QGZVFWFLSA-N 332.444 1.972 70 50 EDIA O=C(CSc1ncccn1)N[C@H]1CCCN(c2cnccn2)C1 216963215 AANOXXUZPQWVMB-LBPRGKRZSA-N 330.417 1.144 70 50 EDIA COC[C@@H]1[C@@H](NC(=O)c2ccc(OC)c(F)c2F)[C@@H]2CCO[C@@H]21 218153519 MCBFRIKGKQCFQO-OWLDWWDNSA-N 327.327 1.753 70 50 EDIA Cc1nnnn1CCC(=O)N[C@H](Cn1ccnc1)c1ccccc1 218268845 NEXZENFRHXKGIW-OAHLLOKOSA-N 325.376 1.126 70 50 EDIA Cc1cc(=O)c2cccc(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3N(C)C)c2[nH]1 218128986 XRVHLBHRPZXDAJ-QRVDHSFSSA-N 341.411 1.284 70 50 EDIA Cc1cc(N)n(CC(=O)N(C)Cc2cc(-c3ccncc3)no2)n1 217380475 PFPCNQGQMMVFDB-UHFFFAOYSA-N 326.360 1.482 70 50 EDIA CO[C@@H]1CCOC[C@H]1NC(=O)c1ccc(CSc2nnc[nH]2)o1 218437010 VIBSABMARPMMNJ-GHMZBOCLSA-N 338.389 1.224 70 50 EDIA CC[C@H]1CN(C(=O)c2cncc(OS(=O)(=O)F)c2)[C@@H](C)CO1 1875383760 AMBQBXOJXSFOPZ-ONGXEEELSA-N 332.353 1.314 70 50 EDIA Cc1c(C)c(C)c(S(=O)(=O)NC[C@](C)(O)CN(C)C)c(C)c1C 161479169 QYBHQKPXYVXJGF-KRWDZBQOSA-N 342.505 1.820 70 50 EDIA O=C(CCCOc1ccccc1)N1CCN(Cc2nnc[nH]2)CC1 218062558 PLEGTFNDIMHWME-UHFFFAOYSA-N 329.404 1.308 70 50 EDIA COC(=O)c1ccccc1Nc1c(NCc2ccccn2)c(=O)c1=O 218262965 NFAGOIVBLQKBNY-UHFFFAOYSA-N 337.335 1.820 70 50 EDIA COc1ccccc1CC(=O)Nc1cncc(OS(=O)(=O)F)c1 1875387332 CDRHZZQUYBLXJN-UHFFFAOYSA-N 340.332 1.865 70 50 EDIA Cc1nc(C)c(CC(=O)NCc2cc(-c3ccccn3)no2)c(=O)[nH]1 218683734 ATFWILRGPPRXQD-UHFFFAOYSA-N 339.355 1.296 70 50 EDIA CCCN1C(=O)N[C@H](CC(=O)NCc2ccc3ccccc3n2)C1=O 217756298 OCIOIHQOXCDHGC-OAHLLOKOSA-N 340.383 1.572 70 50 EDIA CC1(C)C[C@@H](NC(=O)c2cncc(OS(=O)(=O)F)c2)CCO1 1875385279 QAUWAKSPMHBPCE-JTQLQIEISA-N 332.353 1.362 70 50 EDIA CO[C@@H]1CC[C@@H](C)N(C(=O)c2cncc(OS(=O)(=O)F)c2)C1 1875385033 LJCDUDLTVVQCIN-MWLCHTKSSA-N 332.353 1.314 70 50 EDIA COc1ccccc1N1CC[C@H](NC(=O)CCn2cccn2)C1=O 161290418 IIYKPMPKYVMIOO-ZDUSSCGKSA-N 328.372 1.204 70 50 EDIA C[C@H](CO)N(C)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C 161265166 FCLAJIBSUYOAOB-SNVBAGLBSA-N 334.397 1.431 70 50 EDIA COc1ccccc1N1CC[C@H](NC(=O)c2ccn(C)c(=O)c2)C1 161151367 GBJVMYZFWMBKFF-AWEZNQCLSA-N 327.384 1.403 70 50 EDIA CC(C)(O)CN1CCN(S(=O)(=O)c2cccc3ncccc23)CC1 160833810 HGBHKBWJLJUNSC-UHFFFAOYSA-N 349.456 1.312 70 50 EDIA COC(=O)C[C@@H](c1ccc(O)cc1)c1c(O)c(C(=O)OC)c[nH]c1=O 218111687 AWXRVWZEUSWBLQ-NSHDSACASA-N 347.323 1.268 70 50 EDIA biogenic CSCc1nc(CNC(=O)C[C@H]2CN(C)CCN2C)cs1 217743594 QMLXRKWLOGKWKC-LBPRGKRZSA-N 328.507 1.258 70 50 EDIA CC(C)CN1C[C@@H](C(=O)NCCCc2nnc3ccccn23)CC1=O 218165733 QLYLXHGLUWBYRS-AWEZNQCLSA-N 343.431 1.283 70 50 EDIA CC(C)(NC(=O)c1cncc(OS(=O)(=O)F)c1)[C@@H]1CCCO1 1875382082 PYMAAVGCGQGCDV-NSHDSACASA-N 332.353 1.362 70 50 EDIA Cc1cc(=O)n(CC(=O)NCc2nnc(-c3ccccc3)o2)nc1C 218300927 HPUYMMABRCEPKV-UHFFFAOYSA-N 339.355 1.227 70 50 EDIA CO[C@H]1CCC[C@@H](NC(=O)c2cncc(OS(=O)(=O)F)c2)C1 1875384642 HVTMKXSESALMBV-MNOVXSKESA-N 332.353 1.362 70 50 EDIA O=C(NCc1ccco1)N[C@@H]1COCC[C@@H]1OCc1cscn1 218251867 WVGDTHJPCUTXCL-KGLIPLIRSA-N 337.401 1.910 70 50 EDIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1ccc(O)cc1 217888896 UALUXTLIQFWZJA-NSHDSACASA-N 329.308 1.698 70 50 EDIA biogenic COCCn1c(C)cc(C)c(C(=O)NCCc2ccccn2)c1=O 218520285 QELRCMWUQUOGMY-UHFFFAOYSA-N 329.400 1.479 70 50 EDIA COCc1n[nH]c(-c2ccc(NC3=CC(=O)N(C(C)=O)C3)cc2)n1 218572837 BMYKPGDRAPOGSE-UHFFFAOYSA-N 327.344 1.303 70 50 EDIA C=C1CCN(C(=O)c2cncc(OS(=O)(=O)F)c2)C2(CC2)C1 1875385367 ROUIXJBRXHAIQU-UHFFFAOYSA-N 326.349 2.000 70 50 EDIA CC(C)n1ccc(=NC(=O)c2cncc(OS(=O)(=O)F)c2)[nH]1 1875381802 IALZBIIIVPWSEM-UHFFFAOYSA-N 328.325 1.126 70 50 EDIA NC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCOC2(CCCC2)C1 159376661 YMQXLYQBEOLKQX-HOTGVXAUSA-N 345.443 1.874 70 50 EDIA Cc1cc(C(=O)N2CCC([C@@H](C)N3CCOCC3)CC2)cc(=O)[nH]1 217096313 NUBMRSIIPRXIFV-CQSZACIVSA-N 333.432 1.256 70 50 EDIA COCC(=O)N1CCCN(C(=O)CCCc2ccc(F)cc2)CC1 218045092 QGCBEYMMFFKBGL-UHFFFAOYSA-N 336.407 1.856 70 50 EDIA COc1ccc2c(c1)C[C@@H](C(=O)NCCc1nnc(C)s1)CO2 217543996 HWRFSGTWHFEZTR-GFCCVEGCSA-N 333.413 1.765 70 50 EDIA O=C(NCCc1noc(CO)n1)[C@@H]1CCCCN1Cc1ccccc1 217620683 KIBPLUKCNGXKJE-HNNXBMFYSA-N 344.415 1.275 70 50 EDIA O=C1OCCN1CC(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 217168448 MKRLTGYUPLXJEJ-SJORKVTESA-N 343.427 1.562 70 50 EDIA CCn1cnnc1CNC(=O)N1CCO[C@](C)(c2ccccc2)C1 160195481 OHGJVWIWHUXUCK-KRWDZBQOSA-N 329.404 1.755 70 50 EDIA O=C(CN1CC[C@@H](c2ccccc2)C1)NCc1cnn2cccnc12 217175021 HDTYDBNYVRKPOV-MRXNPFEDSA-N 335.411 1.835 70 50 EDIA CC(C)Cc1cc(C(=O)N(C)Cc2cnc3ccccn23)nc(=O)[nH]1 216908633 BRQZOPWAMPPAQM-UHFFFAOYSA-N 339.399 1.888 70 50 EDIA COc1ccc(NS(C)(=O)=O)c(NC(=O)[C@@H]2CC[C@H](N)C2)c1 217003922 CIOOXJNUFCBLOU-ZJUUUORDSA-N 327.406 1.133 70 50 EDIA O=C(NC1CCN(S(=O)(=O)F)CC1)c1ccc(Cl)cc1O 1875371144 QRFXVPWIZCKCPP-UHFFFAOYSA-N 336.772 1.454 70 50 EDIA O=C(CCCn1cccn1)N[C@H](Cc1ccccn1)[C@H]1C[C@H](O)C1 218096501 OIBSOKSALZPYTP-HYVNUMGLSA-N 328.416 1.557 70 50 EDIA CC(=O)N1c2ccc(S(=O)(=O)Nc3nncs3)cc2C[C@@H]1C 160589980 QYBRMLSQJUGPNE-QMMMGPOBSA-N 338.414 1.636 70 50 EDIA COc1ccccc1-n1cc(CNC(=O)c2cnc(C)[nH]c2=O)cn1 217169136 RPVKVSQMKSWWFR-UHFFFAOYSA-N 339.355 1.203 70 50 EDIA Cc1nc([C@H]2C[C@@H](NC(=O)c3ccc4c(c3)OCO4)C2)cc(=O)[nH]1 217998433 MEKKHTYXAZMOEJ-HAQNSBGRSA-N 327.340 1.483 70 50 EDIA Cc1nc(CC(=O)NC(C)(C)c2noc(CN(C)C)n2)c(C)s1 160283500 OBMXZAKKCWLRKN-UHFFFAOYSA-N 337.449 1.799 70 50 EDIA O=S(=O)(F)Oc1ccc(Cn2nnnc2C2CCCC2)cc1 1875382536 FOKKYZUSJNUWHF-UHFFFAOYSA-N 326.353 1.972 70 50 EDIA CO[C@H]1CCC[C@H](NC(=O)c2cncc(OS(=O)(=O)F)c2)C1 1875384643 HVTMKXSESALMBV-QWRGUYRKSA-N 332.353 1.362 70 50 EDIA COc1cc2c(cc1CN1CCn3nc([C@@H](O)CO)cc3C1)CCC2 217019725 YVOKUFVPRKZZKZ-SFHVURJKSA-N 343.427 1.422 70 50 EDIA Cn1nccc1[C@@H](O)c1cc2n(n1)CCN(C(=O)CC1=CCCC1)C2 218307213 RNTWTKHXKIQASV-SFHVURJKSA-N 341.415 1.541 70 50 EDIA C[SiH](C)[Si]([SiH](C)C)([SiH](C)C)[SiH](C)c1ccccc1 169817771 DPBZXUGXNLFKFD-UHFFFAOYSA-N 326.813 1.973 70 50 EDIA Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(C(=O)C1CCC1)C2 218046329 YPSJHBZIEHUMSQ-INIZCTEOSA-N 329.404 1.231 70 50 EDIA CN1C[C@@]2(CCN(C(=O)COc3ncnc4ccccc34)C2)OC1=O 217160925 UARCCNBIYPIGBU-QGZVFWFLSA-N 342.355 1.062 70 50 EDIA CC(C)c1cc(C(=O)N2CCCC[C@@H]2CN2CCOCC2)nc(N)n1 217795365 CPILRNAZKSLVFZ-CQSZACIVSA-N 347.463 1.509 70 50 EDIA O=C(N[C@H]1COC[C@@H]1N1CCOCC1)c1cc(Cl)ccc1F 218679107 KLVDKCKXYAWFPP-KBPBESRZSA-N 328.771 1.309 70 50 EDIA Nc1[nH]nc(C(=O)N[C@@H](CCn2cncn2)c2ccccc2)c1Cl 218119197 BLBWMGHXWUJQRC-NSHDSACASA-N 345.794 1.798 70 50 EDIA COCCn1c(C)cc(C)c(C(=O)NCCn2nc(C)cc2C)c1=O 218507719 VFHIKOBAQBEPLM-UHFFFAOYSA-N 346.431 1.355 70 50 EDIA CC(=O)N1CC(Nc2ccc(Cl)c(C(=O)NC3CC3)c2)=CC1=O 218617751 XVMKXERURAGXRT-UHFFFAOYSA-N 333.775 1.917 70 50 EDIA COc1ccc(-c2n[nH]cc2C(=O)N[C@H](CO)C(C)C)cc1OC 218227947 JCGQYNMDSUIIMI-CYBMUJFWSA-N 333.388 1.841 70 50 EDIA COc1ccc(C(=O)NCCCn2c(C)cccc2=O)c(OC)n1 217088459 AWVNPEGGSMEGSE-UHFFFAOYSA-N 331.372 1.389 70 50 EDIA C[C@@H]1SCCN(C(=O)c2cncc(OS(=O)(=O)F)c2)[C@@H]1C 1875384340 FLIDXVRHEXPWLA-BDAKNGLRSA-N 334.394 1.641 70 50 EDIA Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1cccc(Oc2ncccn2)c1 218336210 DPWSQDXNQAUHEA-ZDUSSCGKSA-N 339.355 1.601 70 50 EDIA Cc1nnnn1CCC(=O)N(C)CCc1nc2cc(Cl)ccc2[nH]1 218761741 HTRKIPRWDDVHLA-UHFFFAOYSA-N 347.810 1.602 70 50 EDIA CN(c1nncs1)S(=O)(=O)c1ccccc1S(=O)(=O)F 253430741 FTDISPGYYWNJIV-UHFFFAOYSA-N 337.379 1.021 70 50 EDIA CN1CC2(CCN(C(=O)CCc3ccc4c(c3)OCO4)CC2)OC1=O 218719419 JIEYJPSGYNLGPJ-UHFFFAOYSA-N 346.383 1.791 70 50 EDIA CCN1Cc2ccccc2C[C@H]1C(=O)N1CCC(n2cnnc2)CC1 217915838 LYDGKTRXPNZIIG-SFHVURJKSA-N 339.443 1.888 70 50 EDIA Oc1cc(N2CCCn3nc([C@H](O)c4ccccc4)cc3C2)ncn1 217155070 NEDVJYRLTAMWQY-GOSISDBHSA-N 337.383 1.871 70 50 EDIA CC[C@@H](C)[C@@H](CO)NC(=O)Cc1c(C)c2ccc(O)cc2oc1=O 217689925 WSIYPOIJJLVUDP-MEBBXXQBSA-N 333.384 1.873 70 50 EDIA biogenic O=C(COCc1ccccc1)N[C@@H]1COCC[C@H]1Oc1ccccn1 218213650 TZJHMIVGSSHJOW-IAGOWNOFSA-N 342.395 1.951 70 50 EDIA C[C@@H](O)c1cc2n(n1)CCN(CCCOc1ccc(C(N)=O)cc1)C2 216954161 PWVSRLDVAWQNLY-CYBMUJFWSA-N 344.415 1.320 70 50 EDIA O=C(c1cccc(-c2ncn[nH]2)c1)N1CCN(c2cnccn2)CC1 159749807 MFTTUSPJVUJWNT-UHFFFAOYSA-N 335.371 1.224 70 50 EDIA Cc1cc(C)n2c(C(=O)N(C)Cc3noc4c3CCCC4)nnc2n1 218141728 VLDLYGKFPROOQD-UHFFFAOYSA-N 340.387 1.880 70 50 EDIA OCc1cc2n(n1)CCCN(C1CCN(Cc3ccco3)CC1)C2 216957430 FHINTOKVFZWAQW-UHFFFAOYSA-N 330.432 1.839 70 50 EDIA COCCNC(=O)[C@@H](Cc1ccccc1)Nc1nc(C)cc(C)n1 218412515 HJUOOMSUCMCLRQ-MRXNPFEDSA-N 328.416 1.879 70 50 EDIA C[SiH](C)O[Si](O[SiH](C)C)(O[SiH](C)C)c1ccccc1 169807320 CQZDNELEZXTFEH-UHFFFAOYSA-N 330.681 1.833 70 50 EDIA Cc1sc(=O)n(CC(=O)NCCNC2CCCCCC2)c1C 159704972 CEZXXSQYTZKJHC-UHFFFAOYSA-N 325.478 1.955 70 50 EDIA O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CCOCC2(CCOCC2)C1 160364799 WWTYQICTIJVYPY-CVEARBPZSA-N 338.448 1.783 70 50 EDIA OCc1cc2n(n1)CCCN(CCc1nc3ccc(F)cc3[nH]1)C2 217156471 QWUGSNPSGUHHEW-UHFFFAOYSA-N 329.379 1.839 70 50 EDIA O=C(Cc1cnccn1)N1CCn2nc([C@@H](O)c3ccccc3)cc2C1 217135122 LXNUEXAZCTUOGB-IBGZPJMESA-N 349.394 1.340 70 50 EDIA COCCn1c(Cn2cc3cccc(C)c3n2)nnc1[C@H]1C[C@@H](N)C1 218161322 GZNLPRGNOZNBLE-SHTZXODSSA-N 340.431 1.836 70 50 EDIA O=C1C[C@H](C(=O)N2CCSCC2)CN1CCc1ccc(O)cc1 218289973 PZBVZQQJRNHMDI-AWEZNQCLSA-N 334.441 1.359 70 50 EDIA O=C(CCN1CCCCCC1=O)N[C@@H]1CCOC[C@H]1OCC1CC1 218578425 BBNGALKHYMPWMP-HZPDHXFCSA-N 338.448 1.479 70 50 EDIA Cc1nc(N2CCCn3nc([C@H](O)CO)cc3C2)c2ccsc2n1 217645936 MLXWBYOVONYUAY-CQSZACIVSA-N 345.428 1.632 70 50 EDIA CC(C)(O)CN1CCN(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 160941933 FJFNWDCOBAWBHJ-KFWWJZLASA-N 337.464 1.042 70 50 EDIA CSc1ncc(C(=O)N2CCC[C@@H](CN3CCOCC3)C2)cn1 218170960 HIPHWBZHSWWXKG-ZDUSSCGKSA-N 336.461 1.383 70 50 EDIA Nc1ccnc(N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)n1 216713992 XFUADBSUFFAKLK-PWSUYJOCSA-N 330.417 1.143 70 50 EDIA Cn1cnnc1SCC(=O)N1CCC[C@@H](C(=O)c2ccccn2)C1 218726537 LGAYLWZQAFLZCG-GFCCVEGCSA-N 345.428 1.424 70 50 EDIA Cc1noc(C)c1CCCNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 218410504 WQTLXYVWTDBIIR-UHFFFAOYSA-N 342.355 1.184 70 50 EDIA O=C(N[C@H]1C[C@@H](c2cc(N3CC[C@H](O)C3)ncn2)C1)c1ccoc1 218609585 MVIKXUJZKOCZQJ-IHRRRGAJSA-N 328.372 1.317 70 50 EDIA O=C(Cc1ccc(C(F)(F)F)cc1)NCCc1noc(CO)n1 218414225 SULXOAHDEYHTTJ-UHFFFAOYSA-N 329.278 1.482 70 50 EDIA NC(=O)[C@H]1CCCN1C1CCN(c2nc3cc(F)ccc3o2)CC1 160788415 PFOOGSPQICCKNQ-CQSZACIVSA-N 332.379 1.885 70 50 EDIA CN1CCO[C@@H]2CN(C(=O)c3cc(-c4ccccc4Cl)[nH]n3)C[C@@H]21 159735940 SLZMRYHHEUKVJF-JKSUJKDBSA-N 346.818 1.885 70 50 EDIA O=C(C[C@H]1C=CS(=O)(=O)C1)NCc1cnn(Cc2ccccc2)c1 217000825 KQLWYPUMCWUPMD-OAHLLOKOSA-N 345.424 1.496 70 50 EDIA Cc1c(C(=O)N2CCC[C@H]2CN)nnn1-c1cccc2cccnc12 160213849 XVTFTUFIXHGBGE-AWEZNQCLSA-N 336.399 1.687 70 50 EDIA O=C(Nc1ccnn1C[C@@H]1CCOC1)N1CCC[C@@H]1Cn1ccnc1 159451197 RWFRDKLDIKJXKG-LSDHHAIUSA-N 344.419 1.813 70 50 EDIA CN(C(=O)[C@H]1CSCN1)[C@H]1CCN(c2ccccc2Cl)C1=O 159744695 SQAQYZMUQGVMFH-YPMHNXCESA-N 339.848 1.566 70 50 EDIA Cc1cccc([C@@H](C(=O)NCCCn2ccccc2=O)N(C)C)c1 217517919 IXCHNASGSXKCSR-SFHVURJKSA-N 327.428 1.966 70 50 EDIA OC[C@H](O)c1cc2n(n1)CCCN(Cc1cccc3cc[nH]c13)C2 216980855 DZRXSZYMRGLKML-KRWDZBQOSA-N 326.400 1.796 70 50 EDIA COc1ccccc1N1CCN(C(=O)Cc2nonc2C)[C@@H](C)C1 217086031 ORCCHQMWIQTSMM-LBPRGKRZSA-N 330.388 1.666 70 50 EDIA COC(=O)[C@@H](NC(=O)Cn1nc(-c2cccs2)ccc1=O)C(C)C 218247566 MSRQANXDWNSPFN-HNNXBMFYSA-N 349.412 1.286 70 50 EDIA O[C@@H]1CN(Cc2ccsc2)CCN(c2ncnc3[nH]ccc23)C1 217616428 YCMOFLCPGSMOQU-CYBMUJFWSA-N 329.429 1.703 70 50 EDIA CN1C[C@@H](CNC(=O)CCSCc2ccc(F)cc2)OCC1=O 218595780 UYCHZGZYONENFE-CQSZACIVSA-N 340.420 1.422 70 50 EDIA COc1ccc([C@H](CC(N)=O)c2oc(C)cc(=O)c2O)cc1OC 217794736 ZDBMMKQKNSUOEF-NSHDSACASA-N 333.340 1.678 70 50 EDIA biogenic O=C(c1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)F)CC1 1875375021 OILHOGPIRBCFHE-UHFFFAOYSA-N 329.349 1.567 70 50 EDIA c1cc(OCCCN2CCOCC2)ccc1CN1C[C@@H]2CNC[C@@H]2C1 217415015 VCCYQTBKEQPHFL-KDURUIRLSA-N 345.487 1.439 70 50 EDIA COc1cncc([C@H](NC(=O)c2n[nH]c3c2CCC3)[C@H]2C[C@H](O)C2)c1 218546616 ISDKRVQHQLXBCB-RSAASHCRSA-N 342.399 1.544 70 50 EDIA CCN(C(=O)c1cnc2cc(Cl)ccc2c1O)[C@H]1COC[C@@H]1O 218672445 ZRBBKFPRGYNKPU-KBPBESRZSA-N 336.775 1.816 70 50 EDIA CC[C@]1(C)COCCN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875384837 JFDIMJFEAGAXBG-CYBMUJFWSA-N 332.353 1.316 70 50 EDIA Cc1nn(C)c(C)c1NC(=O)[C@H](Cc1ccccc1)n1cnnn1 218417420 CNUZMMJALAWOLI-AWEZNQCLSA-N 325.376 1.446 70 50 EDIA O=C(CCc1cc(Cl)no1)N1CCCO[C@@H](Cn2cccn2)C1 218503727 IETPFKPIMRPIPN-CYBMUJFWSA-N 338.795 1.775 70 50 EDIA COc1ccc([C@@H](CC(N)=O)c2oc(C)cc(=O)c2O)cc1OC 217794802 ZDBMMKQKNSUOEF-LLVKDONJSA-N 333.340 1.678 70 50 EDIA biogenic O=C(NCCCn1ccccc1=O)c1ccccc1N1CCOCC1 217612098 INNXVOUDHDUIGN-UHFFFAOYSA-N 341.411 1.505 70 50 EDIA COc1ccc(-c2n[nH]cc2C(=O)N[C@H](CO)C(C)C)c(OC)c1 218234445 CISUHXKTTAUJFE-CQSZACIVSA-N 333.388 1.841 70 50 EDIA C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCC[C@H]1CN 160221960 MMDGYMGSRZFAMD-YPMHNXCESA-N 328.409 1.185 70 50 EDIA COC(=O)c1csc(NC(=O)N2CCC[C@@H](n3cncn3)C2)c1 160725189 IQGRJXRQNVLFAU-LLVKDONJSA-N 335.389 1.995 70 50 EDIA CC[C@H](O)c1cc2n(n1)CCN(C(=O)Cn1cc(Cl)c(C)n1)C2 217197830 RMVPNGOFRFUYSE-AWEZNQCLSA-N 337.811 1.527 70 50 EDIA C[C@@H]1CC[C@@H](CNC(=O)c2cncc(OS(=O)(=O)F)c2)OC1 1875384390 GLAFLFYVGKRTAD-KOLCDFICSA-N 332.353 1.220 70 50 EDIA Cc1cc(N)n(CC(=O)N2CCC(Oc3ccccc3F)CC2)n1 217117750 VPIBVQUFZOXKJY-UHFFFAOYSA-N 332.379 1.983 70 50 EDIA COC[C@@H]1CCCN(C(=O)c2cncc(OS(=O)(=O)F)c2)C1 1875384868 JLVVFANUGCBQTQ-SNVBAGLBSA-N 332.353 1.173 70 50 EDIA CN1C[C@]2(CCN(C(=O)Cn3ccc(=O)c4ccccc43)C2)OC1=O 218372499 KELIMYMSTPAEDX-SFHVURJKSA-N 341.367 1.055 70 50 EDIA O=C(N[C@H](CC(=O)N1CCNCC1)c1ccccc1)c1ccccc1 159381001 OWPKPGWGEVGNDQ-GOSISDBHSA-N 337.423 1.980 70 50 EDIA N[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)C1 160276068 WICJBGNCVVVOHA-MRXNPFEDSA-N 344.436 1.834 70 50 EDIA COc1ccc2ncc(C(=O)NCc3nnc4ccccn34)c(O)c2c1 218266575 LRVPTCNXPSEBPZ-UHFFFAOYSA-N 349.350 1.922 70 50 EDIA Cc1ccc2c(c1)c(=O)c(C(=O)N(C)Cc1nnc(C)o1)cn2C 217882234 AEFVRPWHYAQXML-UHFFFAOYSA-N 326.356 1.811 70 50 EDIA Cc1csc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccco3)C2=O)n1 218234313 OGCBBAKDDSWGAZ-NSHDSACASA-N 348.384 1.884 70 50 EDIA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)c1n[nH]c2c1CN(C)CC2 218731370 UGRKNEIRNDOHIL-HZPDHXFCSA-N 348.447 1.268 70 50 EDIA O=C(c1cc(Cl)c[nH]c1=O)N1CCN(C2CCCCC2)C(=O)C1 217173236 AIAYMXVNKQBMHF-UHFFFAOYSA-N 337.807 1.645 70 50 EDIA Cc1nc(CC(=O)N2C[C@H](C(C)C)[C@@H](NS(C)(=O)=O)C2)cs1 216907150 DGGGVRYWJGCUOB-OLZOCXBDSA-N 345.490 1.026 70 50 EDIA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)c1cn2cccnc2n1 218440532 QFFAWVHXWSYGAF-UKRRQHHQSA-N 330.388 1.599 70 50 EDIA C[C@H](O)c1cc2n(n1)CCN(C(=O)c1csc(CN(C)C)n1)C2 217137277 KGQIIEDBASVCKL-JTQLQIEISA-N 335.433 1.111 70 50 EDIA Nc1nc(C2CC(N)C2)cc(N2CCC(CN3CCCC3=O)CC2)n1 218234533 JQNOGTSBGNWVNQ-UHFFFAOYSA-N 344.463 1.102 70 50 EDIA O=C(NCc1csc(N2CCOCC2)n1)[C@@H]1Cc2ccccc2O1 218157473 XOOTWXQDEGVSIL-HNNXBMFYSA-N 345.424 1.600 70 50 EDIA Cc1nc2ccccn2c1CN(C)C(=O)C[C@H]1C=CS(=O)(=O)C1 218636822 LQEBKJZFGBBOLR-CYBMUJFWSA-N 333.413 1.550 70 50 EDIA CN1C[C@@]2(CCN(C(=O)Cn3ccc(=O)c4ccccc43)C2)OC1=O 218372439 KELIMYMSTPAEDX-GOSISDBHSA-N 341.367 1.055 70 50 EDIA COC(=O)C1(S(=O)(=O)Cl)CCN(C(=O)OC(C)(C)C)CC1 1772716885 DTDMZRDLDWHTSR-UHFFFAOYSA-N 341.813 1.498 70 50 EDIA Cc1cc(C)n2ncc(CN3CCn4nc([C@@H](C)O)cc4C3)c2n1 217003790 ABRPMVBPJRHTHR-CYBMUJFWSA-N 326.404 1.612 70 50 EDIA Cc1nc(N)sc1C(=O)N1CCN(CCc2ccccc2)C(=O)C1 218511598 VCNSPZMQTRTMHV-UHFFFAOYSA-N 344.440 1.561 70 50 EDIA N[C@H]1CC[C@@H](C(=O)N2CCN(CCCOc3ccc(F)cc3)CC2)C1 216900005 VIVYGILVYQTOBR-WBVHZDCISA-N 349.450 1.866 70 50 EDIA CC(=O)Nc1cccc(C(=O)N2CCCO[C@H](CN3CCCC3)C2)c1 217907011 CFPYSSVNADDPAY-GOSISDBHSA-N 345.443 1.972 70 50 EDIA COCCn1c(C)cc(C)c(C(=O)Nc2ccc(OC)nc2)c1=O 218165460 GMRUWXUDHSVADQ-UHFFFAOYSA-N 331.372 1.767 70 50 EDIA CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cc(C3CC3)n[nH]1)C2 217071174 DLUVETCMJAZBQS-MRXNPFEDSA-N 329.404 1.973 70 50 EDIA O=C1NC[C@@]2(CCCN(C(=O)c3cc(-c4ccsc4)n[nH]3)C2)O1 217126986 BBCXXZFELWHXKT-OAHLLOKOSA-N 332.385 1.853 70 50 EDIA Cc1cc(O)n2nc(CC(=O)NCCCc3scnc3C)nc2n1 217046092 UUWBKTIWMDTJHW-UHFFFAOYSA-N 346.416 1.195 70 50 EDIA C[C@@H](O)c1cc2n(n1)CCCN(Cc1cccc(OCC(N)=O)c1)C2 218044921 QGVTYRDPZXEZPD-CYBMUJFWSA-N 344.415 1.206 70 50 EDIA Cn1nnnc1SCCNC(=O)COc1ccc(Cl)cc1 218560773 LKCYUDSSJFBWAO-UHFFFAOYSA-N 327.797 1.151 70 50 EDIA O=C(c1cnc2c(c1)CCCC2)N1CCCn2nc(CO)cc2C1 217515975 KJUGQYGMOPZNJT-UHFFFAOYSA-N 326.400 1.695 70 50 EDIA Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)NCCc1c[nH]cn1 218488105 AUQAFQZFQASAMG-OAHLLOKOSA-N 344.415 1.340 70 50 EDIA Cc1n[nH]c([C@@H]2CCCN(C(=O)CC3=CSC4=NCCCN34)C2)n1 217500196 SSRZLJPCQCUJHF-GFCCVEGCSA-N 346.460 1.859 70 50 EDIA O=c1c(NC[C@H]2COc3ccccc3O2)c(N2CCSCC2)c1=O 218302459 RJUFTRFIVYKJQP-NSHDSACASA-N 346.408 1.088 70 50 EDIA N#C[C@H]1CC(F)(F)CN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875321866 YSSDUSICIJKFKG-MRVPVSSYSA-N 335.263 1.048 70 50 EDIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NS(=O)(=O)Cc1ccccc1F 218648340 JZQKXTJOVGQSFH-MXYBEHONSA-N 329.393 1.295 70 50 EDIA Cc1cc(C(=O)N2CCCN(Cc3cccnc3)CC2)cc(=O)[nH]1 217813946 ALCUYPPELIRDOO-UHFFFAOYSA-N 326.400 1.426 70 50 EDIA COc1ccc([C@H](O)C(=O)N2CCN(C3CCOCC3)CC2)cc1 218401702 VZWSVXOFJPRKAX-KRWDZBQOSA-N 334.416 1.052 70 50 EDIA COC(=O)[C@@H](C)NC(=O)Cn1nc(-c2ccccc2Cl)ccc1=O 218294065 DAZVGPRUOLWZBT-SNVBAGLBSA-N 349.774 1.241 70 50 EDIA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 217619668 CCWWUVJNRDCTSL-SSDOTTSWSA-N 327.344 1.047 70 50 EDIA COCCc1noc(CN(C)C(=O)c2cc(CC(C)C)nc(C)n2)n1 218066837 AWJPOFQSZCYBEH-UHFFFAOYSA-N 347.419 1.828 70 50 EDIA Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NS(=O)(=O)C1CC1 218605290 SUHSCROILQTLML-KGLIPLIRSA-N 330.406 1.047 70 50 EDIA Cn1nccc1[C@@H](O)c1cc2n(n1)CCN(CCCc1ccco1)C2 218699169 ZKMDWDJTMATNMP-SFHVURJKSA-N 341.415 1.740 70 50 EDIA Cn1c(CN2CCN(Cc3ccccc3)C2=O)nnc1[C@H]1C[C@@H](N)C1 218759433 PQQIUNNNBMVKIN-SHTZXODSSA-N 340.431 1.458 70 50 EDIA CCn1cnnc1[C@H]1CCCN([C@@H](C)C(=O)NCC(F)(F)F)C1 161424017 OANYEKJVGQOYMN-QWRGUYRKSA-N 333.358 1.544 70 50 EDIA Cc1c(C(=O)N2CCNCC2)nnn1-c1ccc(OC(C)C)cc1 159377217 QARKOYRVFHTLQL-UHFFFAOYSA-N 329.404 1.408 70 50 EDIA Cc1nn(CC(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1Cl 218298271 BEHNEOWBKDRWPG-CQSZACIVSA-N 340.855 1.416 70 50 EDIA COc1cc([C@@H](CC(N)=O)c2oc(C)cc(=O)c2O)cc2c1OCO2 217860126 WWAORAMJIPITRD-SNVBAGLBSA-N 347.323 1.398 70 50 EDIA biogenic CCCc1nnc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)o1 460091017 GYPKWVGYFAXDCU-UHFFFAOYSA-N 349.365 1.481 70 50 EDIA O=C([C@@H](c1ccccc1)n1cnnn1)N1CCC(c2ccncn2)CC1 218631954 XECWBNRLLNVILE-QGZVFWFLSA-N 349.398 1.459 70 50 EDIA CN1C(=O)N(C)C2(CCN(C(=O)c3cc4sccc4[nH]3)CC2)C1=O 217876172 HAFPCEWNPSMSAL-UHFFFAOYSA-N 346.412 1.728 70 50 EDIA O=S(=O)(N[C@@H]1COCC[C@@H]1OCC1CC1)c1c(F)cccc1F 218671795 SIIQTIZJAPGLJV-KGLIPLIRSA-N 347.383 1.827 70 50 EDIA O=C1CCCN1c1ccc(CN2CCn3nc(CO)cc3C2)cc1 217759181 HLVGDJBXZDVBGM-UHFFFAOYSA-N 326.400 1.518 70 50 EDIA C[C@@H]1CN(C(=O)c2cncc(OS(=O)(=O)F)c2)C(C)(C)CO1 1875384845 JHIYJXGWNOIRSA-SECBINFHSA-N 332.353 1.314 70 50 EDIA CNc1cc(C(=O)N[C@@H]2COCC[C@@H]2OCc2cscn2)ccn1 218438837 MXTYWNOXXAPVJP-KGLIPLIRSA-N 348.428 1.684 70 50 EDIA CN(Cc1sc2ccccc2c1Cl)C(=O)Cn1nnnc1N 216980627 ROGDFMFFINEWBJ-UHFFFAOYSA-N 336.808 1.782 70 50 EDIA O=C(c1cncc(OS(=O)(=O)F)c1)N1CC[C@H](CC2CC2)C1 1875385378 RVGWBHQVFUMGLA-LLVKDONJSA-N 328.365 1.937 70 50 EDIA CC(C)Cc1cc(C(=O)N(C)[C@H](C)Cc2cnccn2)nc(=O)[nH]1 218339982 ADHWUZHMQYYPKE-GFCCVEGCSA-N 329.404 1.462 70 50 EDIA CC(C)n1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cn1 460090947 GUYAUGPWUNQSBV-UHFFFAOYSA-N 347.393 1.923 70 50 EDIA O=C(NCc1nnc2ccccn12)N1CCCN(CC(F)F)CC1 159895084 XVPMHKGZXRCCBJ-UHFFFAOYSA-N 338.362 1.212 70 50 EDIA COCc1ccc(C(=O)N[C@@H]2COCC[C@H]2Oc2ccccn2)o1 218495386 MSCOHRLSDDLDEN-ZIAGYGMSSA-N 332.356 1.787 70 50 EDIA COc1cc(Cl)cc(CN2CCN3CCN(C)C[C@@H]3C2)c1OC 216920174 HUQXBGAUQOLQDS-OAHLLOKOSA-N 339.867 1.789 70 50 EDIA Cc1cc(N)n(CC(=O)N(C)C[C@H]2Cc3ccccc3CN2C)n1 217140380 WLTVPRQVGKXPFK-MRXNPFEDSA-N 327.432 1.289 70 50 EDIA CN(Cc1cnn(C)c1)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 159542494 CHXCFDQCUBYFFS-CYBMUJFWSA-N 348.838 1.889 70 50 EDIA COc1cncc(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)c1 1875385506 UTIQWPKIVRANBE-UHFFFAOYSA-N 326.305 1.936 70 50 EDIA O=C1CCc2ccc(OCC(=O)N[C@H](CO)c3ccccc3)cc2N1 218171857 QXWRMBLZUZMKNT-QGZVFWFLSA-N 340.379 1.800 70 50 EDIA O=S(=O)(N[C@H]1CCN(c2ccccn2)C1)c1cccc(F)c1F 159379703 BWYBMNFLEQFEOW-NSHDSACASA-N 339.367 1.917 70 50 EDIA O=C(NCc1n[nH]c(=O)[nH]1)c1ccc(CSc2ccccn2)cc1 218139482 JZNJILBBLZPDBT-UHFFFAOYSA-N 341.396 1.715 70 50 EDIA CCC(=O)NCC(=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 218592983 PXZIUENTYXSEGU-TYJKZOGGSA-N 341.411 1.689 70 50 EDIA O=C(C[C@H]1C=CS(=O)(=O)C1)NCc1nc(-c2ccccc2)n[nH]1 217123193 HSOIXMAWUUBKFJ-LLVKDONJSA-N 332.385 1.036 70 50 EDIA CCn1c(N)c(N(C)CCC(=O)c2ccc(C)cc2)c(=O)[nH]c1=O 160496699 YXRUEJVYXHBWCP-UHFFFAOYSA-N 330.388 1.156 70 50 EDIA Cc1c(C(=O)N2CCCNCC2)nnn1-c1ccc(OC(C)C)cc1 160843822 MNDQYUPKAYIEEP-UHFFFAOYSA-N 343.431 1.798 70 50 EDIA CC(C)(NC(=O)c1cncc(OS(=O)(=O)F)c1)[C@H]1CCCO1 1875382081 PYMAAVGCGQGCDV-LLVKDONJSA-N 332.353 1.362 70 50 EDIA Cc1[nH]nc(CCC(=O)N[C@@H]2COCC[C@H]2Oc2ccccn2)c1C 218235176 VSGDBGZCJQVFFM-HZPDHXFCSA-N 344.415 1.707 70 50 EDIA Cc1ccccc1[C@H](C(=O)NCCSc1nncn1C)N(C)C 217162026 CJTIOCRRMFVTHM-CQSZACIVSA-N 333.461 1.635 70 50 EDIA COCCn1c(Cn2cc3cccc(C)c3n2)nnc1[C@H]1C[C@H](N)C1 218173907 GZNLPRGNOZNBLE-GASCZTMLSA-N 340.431 1.836 70 50 EDIA Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1coc2ccc(Cl)cc2c1=O 218362852 QQTBLSHYUPPBRK-VIFPVBQESA-N 347.758 1.779 70 50 EDIA Nc1[nH]nc(C(=O)N2CCN(c3cnccn3)CC2)c1-c1ccccc1 217193377 ABVIMOKWFGAKLO-UHFFFAOYSA-N 349.398 1.411 70 50 EDIA Cn1cnnc1SCCNC(=O)COc1ncnc2ccccc12 217636885 BBPXZMTUBPNFRT-UHFFFAOYSA-N 344.400 1.046 70 50 EDIA CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cc(-c3ccsc3)n[nH]1)C2 217403483 PRANAAJGYRTPSF-PWSUYJOCSA-N 330.413 1.831 70 50 EDIA COc1cc(CN2CCN(S(=O)(=O)F)CC2)cc(OC)c1OC 1875368236 ANHVTANDBIJFRF-UHFFFAOYSA-N 348.396 1.044 70 50 EDIA COC[C@H]1[C@@H](NC(=O)Cc2ccc(O)c(Cl)c2)[C@@H]2CCO[C@@H]21 218145289 PZCFVUWLIORTPW-GREKMHCPSA-N 325.792 1.754 70 50 EDIA CSCc1ccc(C(=O)N2CCN(Cc3nccn3C)CC2)o1 217116154 OSOXHNVOFMYFDX-UHFFFAOYSA-N 334.445 1.834 70 50 EDIA CN(C)[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)CN1CCOc3ccccc3C1)C2 217204372 NXCKGEPBDFUHOC-YRWFTTLQSA-N 343.471 1.680 70 50 EDIA Cc1ccc(C(=O)N2CCC(C(=O)NC[C@@H]3COCCO3)CC2)cc1 217211802 XIXPHKUUFRIYFG-QGZVFWFLSA-N 346.427 1.379 70 50 EDIA Cc1c[nH]c(C(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)n1 217050288 DSNYVQOERIHFAK-UHFFFAOYSA-N 346.338 1.551 70 50 EDIA Nc1[nH]nc(C(=O)N2CCCN(Cc3cccnc3)CC2)c1Cl 217214226 KAXSMIRJJKHDOC-UHFFFAOYSA-N 334.811 1.388 70 50 EDIA CC(C)(Oc1ccc2c(c1)CCC2)C(=O)NCCc1noc(CO)n1 218174788 BCNCJAKYGMXUCN-UHFFFAOYSA-N 345.399 1.567 70 50 EDIA COc1ccccc1[C@@H](NC(=O)[C@@H]1CCCNC1)c1noc(C)n1 160112417 OHULSAUSVKRMMH-IUODEOHRSA-N 330.388 1.592 70 50 EDIA O=C(CCc1nnc(C2CCCC2)o1)N1CC(S(=O)(=O)F)C1 2325885995 ABRSZWMIHMWDRW-UHFFFAOYSA-N 331.369 1.170 70 50 EDIA CC(C)CN1C[C@H](C(=O)NCCCc2nnc3ccccn23)CC1=O 218165664 QLYLXHGLUWBYRS-CQSZACIVSA-N 343.431 1.283 70 50 EDIA COc1cncc([C@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@H]2C[C@H](O)C2)c1 218676141 MBDCVAWDJPQJQG-BTJLNZGRSA-N 342.399 1.933 70 50 EDIA CC(C)Nc1ncc(C(=O)N2CCCn3nc([C@H](C)O)cc3C2)cn1 217647516 UMGONDUFEXKTSH-LBPRGKRZSA-N 344.419 1.593 70 50 EDIA CCn1cnnc1[C@H]1CCCN([C@@H](C)C(=O)Nc2cc(C)no2)C1 161285028 FIEOLQWJSJRAPI-STQMWFEESA-N 332.408 1.801 70 50 EDIA O=C(N[C@@H]1COCC[C@@H]1OCc1cscn1)c1ccc(CO)o1 218783684 OSCYOKWJPJILEO-OLZOCXBDSA-N 338.385 1.333 70 50 EDIA O=C(CSCCN1CCCC1)NCc1nc(-c2cccnc2)no1 218760064 NHWIAXLCAFLNFT-UHFFFAOYSA-N 347.444 1.577 70 50 EDIA O=C(CN1CCC2(C1)OCCO2)N1CCC(Cc2ccccc2)CC1 160644305 XURQRAIGUZOECP-UHFFFAOYSA-N 344.455 1.917 70 50 EDIA C[S@@](=O)C1(CNC(=O)c2cccc(S(=O)(=O)F)c2)CCC1 952884944 UCWFXLJQAYIRAC-HXUWFJFHSA-N 333.406 1.376 70 50 EDIA O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[C@H](CS(=O)(=O)F)C1 2325887683 SDQPAWSGTSJYSJ-NWDGAFQWSA-N 344.364 1.722 70 50 EDIA Cn1cc(C(=O)N2CCn3nc([C@@H](O)CO)cc3C2)c2ccccc21 217895946 ZBCKLNLRAHXQIR-KRWDZBQOSA-N 340.383 1.057 70 50 EDIA Cc1cn2c(=O)cc(CN3CCCn4nc(CO)cc4C3)nc2s1 217883026 VJQAFDRGEIQHOZ-UHFFFAOYSA-N 345.428 1.159 70 50 EDIA COc1ccc(C(=O)N2CCCO[C@H](Cn3cccn3)C2)c(OC)n1 217775845 VLJMRRJAAORYDH-ZDUSSCGKSA-N 346.387 1.227 70 50 EDIA Cc1nn(C)c(C)c1NC(=O)CCN1C(=O)CC2(CCCC2)C1=O 218142130 MPLGGOGRXLQZGV-UHFFFAOYSA-N 332.404 1.685 70 50 EDIA CC[C@@H](O)c1cc2n(n1)CCN(C(=O)c1ccc3nc(C)cn3c1)C2 218094413 GKEYEQUWKHBIIY-MRXNPFEDSA-N 339.399 1.939 70 50 EDIA Cc1nonc1CC(=O)N1CCCN(C2Cc3ccccc3C2)CC1 217081500 NXAPATZCQHJRET-UHFFFAOYSA-N 340.427 1.622 70 50 EDIA COC1(c2noc(CC3CCN(S(=O)(=O)F)CC3)n2)CCCC1 1875368392 NXTXKVNYHMYXOW-UHFFFAOYSA-N 347.412 1.954 70 50 EDIA CSCC[C@H](O)C(=O)N1CCC(Cc2noc(C3CC3)n2)CC1 218589329 UUBXPFPUWSMCOP-ZDUSSCGKSA-N 339.461 1.842 70 50 EDIA CCCN1C(=O)N[C@H](CC(=O)NCc2ccc3c(c2)CCCO3)C1=O 218129302 WRXPDZJCQCLXON-CQSZACIVSA-N 345.399 1.348 70 50 EDIA O=C(c1csc2c1CCCC2)N1CCn2nc([C@H](O)CO)cc2C1 217801683 ODVWMAFWSXNJMA-OAHLLOKOSA-N 347.440 1.505 70 50 EDIA CCn1cnnc1[C@@H]1CCCN(CC(=O)NCc2ccc(F)cc2)C1 161341433 NGNVBLDREFZBKV-OAHLLOKOSA-N 345.422 1.933 70 50 EDIA O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@@H](c2ccncn2)C1 217627925 RWHYAHJTZRQJEL-CQSZACIVSA-N 349.394 1.593 70 50 EDIA Cc1nc2ncccn2c1C(=O)N[C@@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1 218480572 IOXKWYVZZNYNDO-MRVWCRGKSA-N 340.387 1.013 70 50 EDIA CC(C)NC(=O)c1ccc(C(=O)N2CCC[C@H]2C(=O)NC2CC2)cc1 160779161 ZDNXYPJLDATLDV-INIZCTEOSA-N 343.427 1.708 70 50 EDIA O=C(N[C@@H](CC(=O)N1CCNCC1)c1ccccc1)c1ccccc1 159381105 OWPKPGWGEVGNDQ-SFHVURJKSA-N 337.423 1.980 70 50 EDIA CC[C@@H](NS(=O)(=O)c1ccc(-c2ccn[nH]2)o1)[C@H]1C[C@H](O)C1 218238627 UTXVZXFVZRBIEF-OUAUKWLOSA-N 325.390 1.498 70 50 EDIA CO[C@@H]1CCCC[C@H]1NC(=O)c1cncc(OS(=O)(=O)F)c1 1875384832 JDFIYHZSEWGEOB-VXGBXAGGSA-N 332.353 1.362 70 50 EDIA Cn1c(Cn2cccn2)nnc1[C@H]1C[C@H](NC(=O)c2ccsc2)C1 218377540 YISXTGYMPZQJBC-BETUJISGSA-N 342.428 1.797 70 50 EDIA OC[C@H](O)c1cc2n(n1)CCCN(CCn1cnc3ccccc31)C2 217576383 VOQHYBZXXDECBI-SFHVURJKSA-N 341.415 1.164 70 50 EDIA CCOc1ccc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N(C)C)cc1OCC 218023981 CTQYFEJODCVFID-BVPBIZIASA-N 348.443 1.931 70 50 EDIA CC[C@@H](C)[C@@H](CO)NC(=O)CCCc1nc(-c2cccnc2)no1 218309232 YCHFWWNFPKKXQP-TZMCWYRMSA-N 332.404 1.978 70 50 EDIA COc1ccccc1-n1cc(CNC(=O)[C@@H](O)CCSC)cn1 216949591 AQJMSXPFSBGEAD-AWEZNQCLSA-N 335.429 1.611 70 50 EDIA Cc1cccc(Cl)c1S(=O)(=O)NC(=O)/C=C/c1ccncn1 159434579 AEYCLBOSQCZMLQ-AATRIKPKSA-N 337.788 1.957 70 50 EDIA COc1cc([C@H](CC(N)=O)c2c(C)[nH][nH]c2=O)cc(OC)c1OC 218304958 WZFLCFBIYRFPPJ-JTQLQIEISA-N 335.360 1.045 70 50 EDIA Cc1cc(N)n(CC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)n1 217579240 BZMLJRUKJVFHEO-GFCCVEGCSA-N 325.376 1.232 70 50 EDIA CO[C@H]1CCN(C(=O)c2cncc(OS(=O)(=O)F)c2)[C@H](C)C1 1875385353 REXAYAVYKVCRAT-KOLCDFICSA-N 332.353 1.314 70 50 EDIA O=C(NCc1csc(N2CCOCC2)n1)[C@H]1Cc2ccccc2O1 218157538 XOOTWXQDEGVSIL-OAHLLOKOSA-N 345.424 1.600 70 50 EDIA Cc1nc(O)cc(CNC(=O)Cn2c(C)cc(=O)c3ccccc32)n1 218748284 PANRKLUFKAQWJI-UHFFFAOYSA-N 338.367 1.430 70 50 EDIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)N1CCC[C@H]1CCO 1875382746 OQBXRAXGLLQCDJ-NSHDSACASA-N 332.353 1.658 70 50 EDIA Cc1cnccc1NCCNC(=O)CCc1c(C)nc(O)nc1C 218287415 OGEYPPIQNOKGMK-UHFFFAOYSA-N 329.404 1.663 70 50 EDIA CC(C)Cc1cc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N2CCCC2)on1 218018423 BVERIGBFABAWIC-XLNGHYISSA-N 333.432 1.855 70 50 EDIA CCn1nc(C)c(CNC(=O)[C@H](C)Sc2nc(C)cc(=O)[nH]2)c1C 217024187 AKTCVAQEJSEPKH-LBPRGKRZSA-N 349.460 1.709 70 50 EDIA Cc1nc(O)cc(CCNC(=O)c2c(C)[nH]c3c2C(=O)CCC3)n1 218154406 JVMFIHNYIKDXHL-UHFFFAOYSA-N 328.372 1.619 70 50 EDIA COc1ccccc1-n1cc(CNC(=O)c2cc(C)[nH]c(=O)c2)cn1 217100750 CGAADDJYVHROEW-UHFFFAOYSA-N 338.367 1.808 70 50 EDIA Cn1nccc1[C@H](O)c1cc2n(n1)CCN(C1Cc3ccccc3C1)C2 218367035 IEJWKNCNHDUYSV-HXUWFJFHSA-N 349.438 1.681 70 50 EDIA COc1ccc(C(=O)N[C@@H]2CCCN(c3cnccn3)C2)c(OC)n1 217385049 QYBUDHDWAJTMHL-GFCCVEGCSA-N 343.387 1.288 70 50 EDIA CO[C@H]1CCCN(C(=O)c2cncc(OS(=O)(=O)F)c2)CC1 1875385409 SMDDBCLEEJAGAH-NSHDSACASA-N 332.353 1.316 70 50 EDIA O=C(CCCNC(=O)c1cnccn1)NCc1nc2ccccc2[nH]1 218474623 WMAYMKKIVKINGP-UHFFFAOYSA-N 338.371 1.179 70 50 EDIA Cc1ccc(C(=O)NCCC(=O)NCCc2c(C)n[nH]c2C)cc1 218325341 MLWKVNZSOLTEBH-UHFFFAOYSA-N 328.416 1.814 70 50 EDIA CC1=CC[C@@H]2CN(C(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)C[C@@H]2C1 218470443 XZWVXJNNNRLDRA-OLZOCXBDSA-N 325.368 1.645 70 50 EDIA O=c1cc(CN2CCO[C@@]3(CCc4ccccc43)C2)[nH]c2ccnn12 159618966 RALRPDVUKIPOEZ-IBGZPJMESA-N 336.395 1.697 70 50 EDIA Cn1cc(C(=O)N2CCN(c3ncc[nH]c3=O)CC2)c2ccccc21 216937678 RUWLKPAMAISZEY-UHFFFAOYSA-N 337.383 1.224 70 50 EDIA C[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)[C@H](C)CO1 166144581 XCNUPWHBMHNUDN-NXEZZACHSA-N 337.394 1.143 70 50 EDIA C#CCN(C(=O)Nc1ccc(OS(=O)(=O)F)cc1)[C@@H]1CCOC1 1875388024 KBFMRGQERBMZTO-GFCCVEGCSA-N 342.348 1.536 70 50 EDIA COc1ccccc1N1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 161055045 HOFNVSAOOLXZLB-LBPRGKRZSA-N 328.372 1.131 70 50 EDIA CCc1cc(N2CCN(C(=O)c3ncc(F)cc3F)CC2)ncn1 218310918 XTSDZFGSIZNKAL-UHFFFAOYSA-N 333.342 1.675 70 50 EDIA CC(=O)NCCC(=O)N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1 218067222 RMZBLICLGMXUHL-JMLCCBQJSA-N 332.400 1.076 70 50 EDIA O=C1CCCCCN1CCC(=O)N1CCOc2ccc(CO)cc2C1 216954633 BMTACDWBRMSUAF-UHFFFAOYSA-N 346.427 1.693 70 50 EDIA O=C(CN1CCCCCC1=O)N[C@@H]1CCOC[C@H]1OCC1CCC1 218377637 WPXCZLBZSQHZTL-HZPDHXFCSA-N 338.448 1.479 70 50 EDIA CC(=O)N1CC(Nc2ccc3ncn(C(C)C)c(=O)c3c2)=CC1=O 218534472 DBXOOPQHFAKQKM-UHFFFAOYSA-N 326.356 1.662 70 50 EDIA Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CC[C@H](c2cccc(Cl)c2)C1 217469856 KSNBKOLUPOILGX-LBPRGKRZSA-N 347.802 1.584 70 50 EDIA O=C(c1scc2c1OCCO2)N1CCCO[C@H](Cn2cccn2)C1 217841395 UJBZIPBDCDKDNV-LBPRGKRZSA-N 349.412 1.647 70 50 EDIA CO[C@@H]1CCC[C@H](NC(=O)c2cncc(OS(=O)(=O)F)c2)C1 1875384644 HVTMKXSESALMBV-WDEREUQCSA-N 332.353 1.362 70 50 EDIA Cc1ccc(N2CCC(N[C@@H]3COCC[C@@H]3OCC(N)=O)CC2)cc1 218405876 XNERTTFHLSJHQQ-MSOLQXFVSA-N 347.459 1.213 70 50 EDIA CC(=O)N1CC(Nc2ccc3c(c2)CCCN3S(C)(=O)=O)=CC1=O 218528869 WIRLUIBNSKYCDL-UHFFFAOYSA-N 349.412 1.083 70 50 EDIA Cn1nnc2ccc(NC(=O)Cc3ccc4c(c3)OCC4)cc2c1=O 218221662 PCDCKLZOVRJLEC-UHFFFAOYSA-N 336.351 1.445 70 50 EDIA Cn1cnc(S(=O)(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2Cc2ccccc2)c1 218269668 ISPSYMAOERFPDD-FSDCSDTHSA-N 347.440 1.345 70 50 EDIA COCCn1c(CNC(=O)c2n[nH]c3c2CCC3)nc2ccccc21 218478720 TZNPYDSCBLNUNL-UHFFFAOYSA-N 339.399 1.825 70 50 EDIA N[C@H]1[C@H]2CCO[C@H]2[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1Cl 218567979 XHPWUGWQBGLWIX-UYZPKGHCSA-N 337.228 1.386 70 50 EDIA O=C(CCc1cnccn1)N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1 218125741 JMMJURSLCCZCSZ-IAGOWNOFSA-N 345.374 1.901 70 50 EDIA O=C(Cc1cn2ccsc2n1)N1CCCn2nc(CO)cc2C1 217160718 ACFNLTLTPVMREB-UHFFFAOYSA-N 331.401 1.060 70 50 EDIA Cc1nn(C)c(C)c1CN1CCN(C(=O)CCc2cscn2)CC1 217211529 PHRWDTSEOWCOSD-UHFFFAOYSA-N 347.488 1.770 70 50 EDIA CN(C)C(=O)C[C@@H](O)c1cc2n(n1)CCN(Cc1cccs1)C2 218549684 XNENESVNBZSFSO-OAHLLOKOSA-N 334.445 1.472 70 50 EDIA CCc1nccn1CCC(=O)N1CCCO[C@H](Cn2cccn2)C1 217537003 YPHPKGLAGWGNID-HNNXBMFYSA-N 331.420 1.350 70 50 EDIA Cc1ncc(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)c(C)n1 1875385399 SFWCCSOVROADIO-UHFFFAOYSA-N 325.321 1.939 70 50 EDIA COC(=O)[C@@H](C)NC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O 218243285 LAJLSMIVJWGMOF-SNVBAGLBSA-N 349.774 1.241 70 50 EDIA O=C(CN1CCOCC1)N1CCC(Cc2noc(C3CC3)n2)CC1 218731031 YVEVGFUXRBGTEO-UHFFFAOYSA-N 334.420 1.060 70 50 EDIA O=C(N[C@@H]1COCC[C@@H]1OCC1CC1)c1c[nH]c(=O)c2ccccc12 218725676 JIIJKXKMIVPBCS-SJORKVTESA-N 342.395 1.842 70 50 EDIA CCn1cnnc1CNC(=O)N1CCO[C@@](C)(c2ccccc2)C1 160195351 OHGJVWIWHUXUCK-QGZVFWFLSA-N 329.404 1.755 70 50 EDIA COc1ccc(C(=O)N2CCCO[C@@H](Cn3cccn3)C2)c(OC)n1 217775751 VLJMRRJAAORYDH-CYBMUJFWSA-N 346.387 1.227 70 50 EDIA O=C(c1nccs1)c1cccnc1N1CCn2nc(CO)cc2C1 217809148 BZQDILWOOFGNBU-UHFFFAOYSA-N 341.396 1.478 70 50 EDIA Cc1nc2cc(C(=O)N3CCn4nc(CO)cc4C3)ccc2s1 217179553 DADWJBZOZJCKIK-UHFFFAOYSA-N 328.397 1.950 70 50 EDIA Cc1noc(C)c1CCCNC(=O)c1ccc(-n2cnnn2)cc1O 218751158 LAMUNPOUVFLMLF-UHFFFAOYSA-N 342.359 1.335 70 50 EDIA Cc1nc(CCNC(=O)Cc2ccc3c(c2)OCO3)nc2c1CCC2 218488383 OSMLFBGIACGOAG-UHFFFAOYSA-N 339.395 1.904 70 50 EDIA O=C(CN1CCC[C@@H](O)C1)NCc1cccc(CN2CCCC2)c1 218379712 SBLHBAXRLCSIIN-GOSISDBHSA-N 331.460 1.355 70 50 EDIA Cc1ccccc1[C@H](C(=O)N1CCC(CO)(CN(C)C)CC1)N(C)C 217438333 FJYQMQJCUQWGIO-GOSISDBHSA-N 347.503 1.760 70 50 EDIA O=C(Cc1cnccn1)N1CCn2nc([C@H](O)c3ccccc3)cc2C1 217135139 LXNUEXAZCTUOGB-LJQANCHMSA-N 349.394 1.340 70 50 EDIA Cc1cc(C)nc(NC(=O)c2cncc(OS(=O)(=O)F)c2)n1 1875385632 XVQCVEZSPFDWLO-UHFFFAOYSA-N 326.309 1.334 70 50 EDIA COc1cc([C@@H](CC(N)=O)c2c(C)[nH][nH]c2=O)cc(OC)c1OC 218304988 WZFLCFBIYRFPPJ-SNVBAGLBSA-N 335.360 1.045 70 50 EDIA O=C(N[C@@H]1CCNC1)c1ccccc1S(=O)(=O)Cc1ccccc1 218222580 BDRZIUQENRDKIT-OAHLLOKOSA-N 344.436 1.752 70 50 EDIA COc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2)cc1Br 217914539 JUFBJGYGWFAQDT-XRNSZHNASA-N 343.221 1.358 70 50 EDIA Cn1nnc(-c2ccc(OCC(=O)N3CCc4ccccc4C3)cc2)n1 218335042 BKMUHAFEIVPCOK-UHFFFAOYSA-N 349.394 1.841 70 50 EDIA Cc1nnc(CN(C)C(=O)COCc2nc3c(C)cccc3[nH]2)o1 217418391 ZVXQIHWLCFZLFW-UHFFFAOYSA-N 329.360 1.738 70 50 EDIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cnc2ccc(F)cc2c1O 218581381 BCSBOCOPOFRCPN-KVQMYJSTSA-N 346.358 1.859 70 50 EDIA CCc1nc(C)ccc1OCC(=O)N1CCC[C@@]2(CC1)CNC(=O)O2 217489399 OUASBLAUFFYKOY-GOSISDBHSA-N 347.415 1.822 70 50 EDIA O=C(CCCN1Cc2ccccc2C1)NCCc1noc(CO)n1 217427089 FXVASJDYEGSSRE-UHFFFAOYSA-N 330.388 1.017 70 50 EDIA O=C(c1scc2c1OCCO2)N1CCCO[C@@H](Cn2cccn2)C1 217841316 UJBZIPBDCDKDNV-GFCCVEGCSA-N 349.412 1.647 70 50 EDIA CC[C@H](O)c1cc2n(n1)CCN(Cc1c(C)nn(CCO)c1C)C2 217980502 FFOVMMVBURGTMF-KRWDZBQOSA-N 333.436 1.148 70 50 EDIA COCCc1noc([C@H]2CCCN(C(=O)CCc3cccnc3)C2)n1 218162059 XRIJKWBIRSXRSQ-HNNXBMFYSA-N 344.415 1.992 70 50 EDIA Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2cccc3nccnc23)o1 218393523 JDYDEMCRIJVDBN-NSHDSACASA-N 325.324 1.604 70 50 EDIA CC[C@H]1CO[C@@H](C)CN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875385323 QVNCRBDRAWHTOF-ONGXEEELSA-N 332.353 1.314 70 50 EDIA COc1cccc(CC(=O)N2CCCO[C@@H](CN3CCCC3)C2)c1 217042714 DWOTXBGWKFNILX-SFHVURJKSA-N 332.444 1.951 70 50 EDIA Cc1cc(C[C@@H](C)NC(=O)Nc2ccnn2C[C@H]2CCOC2)n[nH]1 159598410 YYEHRCISXRPLME-DGCLKSJQSA-N 332.408 1.704 70 50 EDIA Cn1c([C@H]2CCCN(C(=O)CCn3cnnn3)C2)nc2ccccc21 216973925 JHSGQOCDOCVJCA-ZDUSSCGKSA-N 339.403 1.356 70 50 EDIA CCc1nn(C)cc1NS(=O)(=O)c1cccc(S(=O)(=O)F)c1 275647416 KDKBZZYKCHDVSB-UHFFFAOYSA-N 347.393 1.442 70 50 EDIA O=C(N[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(Cl)c[nH]c1=O 218433673 CWFUWFNSWQBUOV-CYBMUJFWSA-N 345.786 1.559 70 50 EDIA Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2ccc3nccnc3c2)o1 217832076 FETRFQHOQZJOLM-NSHDSACASA-N 325.324 1.604 70 50 EDIA biogenic Nc1nscc1C(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1 218455457 RUIAOVXSBKJPHB-GHMZBOCLSA-N 340.430 1.286 70 50 EDIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)CN1CCOc2ccccc2C1 218647227 FOWAIMORMOJMNM-SFUIVIKGSA-N 346.427 1.047 70 50 EDIA CCc1ncnc(N(C)C2CCN(CCn3cccn3)CC2)c1F 159424225 NWFOJVLSERYASY-UHFFFAOYSA-N 332.427 1.975 70 50 EDIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)[C@@H]1CCn2cnnc2C1 1875387842 ABQFZRZKNBISHP-SECBINFHSA-N 340.336 1.072 70 50 EDIA CN(C)[C@H](C(=O)N1CCC(c2nnc[nH]2)CC1)c1ccc(F)cc1 217944348 CXYDDHVAXPYWSK-HNNXBMFYSA-N 331.395 1.953 70 50 EDIA CSc1ncc(C(=O)N2CCC[C@H](CN3CCOCC3)C2)cn1 218171016 HIPHWBZHSWWXKG-CYBMUJFWSA-N 336.461 1.383 70 50 EDIA CCn1ncc(CN(CCS(=O)(=O)F)Cc2ccccc2)n1 1875382862 UOGLVIMWQIMZGQ-UHFFFAOYSA-N 326.397 1.600 70 50 EDIA C[C@@H](Cc1ccccn1)NC(=O)COc1ccc(-n2cnnn2)cc1 217878674 RPEHMTHXOVWICB-ZDUSSCGKSA-N 338.371 1.184 70 50 EDIA CN1C[C@@H](C(=O)NCCCCCc2nc3ccccc3n2C)CC1=O 218552926 YVMIMLDFLJSFSJ-AWEZNQCLSA-N 342.443 1.881 70 50 EDIA Cc1csc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)n1 460088029 BKCQTYIWLRFXLW-UHFFFAOYSA-N 336.391 1.911 70 50 EDIA CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCC[C@H](N2CCCC2)CC1 159906662 GTMXJTUMYNTENV-CABCVRRESA-N 345.509 1.470 70 50 EDIA CCOCCCNC(=O)/C(C#N)=C/c1cccc(S(=O)(=O)F)c1 1875319672 NGOLXQGPKJMVFF-UKTHLTGXSA-N 340.376 1.795 70 50 EDIA Cc1ccc2c(c1)c(C(=O)N1CCn3nc(CO)cc3C1)nn2C 217406906 PGWKDXOXGPLSNL-UHFFFAOYSA-N 325.372 1.227 70 50 EDIA Cn1nc(C(=O)N2CCC[C@H](c3ccncn3)C2)c2ccccc2c1=O 217741908 WKHNHKTXLZNSBW-ZDUSSCGKSA-N 349.394 1.743 70 50 EDIA O=C(c1cc2sccc2[nH]1)N1CCCn2nc([C@@H](O)CO)cc2C1 217002065 QSXVGOKRQXBQLF-AWEZNQCLSA-N 346.412 1.498 70 50 EDIA Cc1nc(CCNC(=O)[C@H](C)Cn2cccn2)nc2c1CCCC2 218055145 SQCFCYUYPSJMKI-CYBMUJFWSA-N 327.432 1.855 70 50 EDIA Cc1csc(N2CCC(N[C@@H]3CCc4nc(C)nn4C3)CC2)n1 160358465 CHZBDKDOMGHKAR-CQSZACIVSA-N 332.477 1.925 70 50 EDIA O=C(c1ccc(Cl)cc1Cl)N1CCN(S(=O)(=O)F)CC1 1875368515 XQWULFULEWUHHZ-UHFFFAOYSA-N 341.191 1.966 70 50 EDIA CNC(=O)c1cc(Oc2cccc(OS(=O)(=O)F)c2)ccn1 1875368426 QLTYNATVLJXJQV-UHFFFAOYSA-N 326.305 1.827 70 50 EDIA Cc1ccccc1[C@@H](C(=O)NCCSc1nncn1C)N(C)C 217162017 CJTIOCRRMFVTHM-AWEZNQCLSA-N 333.461 1.635 70 50 EDIA CNc1ncccc1C(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1 218741909 DTVZFCLSYZJWQS-ZIAGYGMSSA-N 348.428 1.684 70 50 EDIA COc1ccccc1[C@H](NC(=O)[C@H]1CCCNC1)c1noc(C)n1 160112825 OHULSAUSVKRMMH-WFASDCNBSA-N 330.388 1.592 70 50 EDIA CCN1CCC[C@H]1CNC(=O)c1c(C)cc(C)n(CCOC)c1=O 218541317 CHNHNZHNXNXGBF-HNNXBMFYSA-N 335.448 1.326 70 50 EDIA CC1CCN(c2cccc(NC(=O)N3CCO[C@@H](C(N)=O)C3)c2)CC1 159748817 XWUNHIMTTMWTPJ-MRXNPFEDSA-N 346.431 1.641 70 50 EDIA CN(C)c1nccnc1N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1 218056022 MNPYSWPUZVQGNU-HZPDHXFCSA-N 344.415 1.683 70 50 EDIA CO[C@@H]1CCCN(C(=O)c2cncc(OS(=O)(=O)F)c2)CC1 1875385408 SMDDBCLEEJAGAH-LLVKDONJSA-N 332.353 1.316 70 50 EDIA Nc1nc(CCNC(=O)CN2CCOc3ccccc3C2)cs1 218468671 NSZHLJVJCCCZEY-UHFFFAOYSA-N 332.429 1.279 70 50 EDIA O=c1ccn2c(c1)-c1cccc[n+]1[B-]2(c1ccccc1)c1ccccc1 197882664 UISQRMCSXRKRND-UHFFFAOYSA-N 336.203 1.769 70 50 EDIA CSCC[C@@H](CO)NC(=O)COc1ccc2c(c1)NC(=O)CC2 218129648 IUYRXWYGNQZEIE-LBPRGKRZSA-N 338.429 1.180 70 50 EDIA Cc1nnnn1-c1ccccc1C(=O)NCc1nc2ccccc2[nH]1 218570798 GISVCLRVNUGYRW-UHFFFAOYSA-N 333.355 1.777 70 50 EDIA O=S(=O)(F)c1ccc(S(=O)(=O)N[C@H]2CCC[C@H](F)C2)cc1 1776007620 PRMRLKGFEPTGQR-UWVGGRQHSA-N 339.385 1.904 70 50 EDIA CN1CCC(CNC(=O)c2ccc(=O)[nH]c2)(c2ccccc2)CC1 216966972 HWFARLBAZZDYCL-UHFFFAOYSA-N 325.412 1.768 70 50 EDIA O[C@@H]1CCOC[C@H]1NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 217398246 JWZHGBVEIAQILM-ZIAGYGMSSA-N 345.365 1.809 70 50 EDIA Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1c(Cl)nc2sccn12 218221534 JXTVSCAWQYUMMA-LURJTMIESA-N 325.781 1.381 70 50 EDIA CCN1Cc2ccccc2C[C@H]1C(=O)NCc1cnc2cnccn12 217216014 BDKKWGWDHNIGFM-KRWDZBQOSA-N 335.411 1.792 70 50 EDIA O=c1c(NC[C@@H]2COc3ccccc3O2)c(N2CCSCC2)c1=O 218302397 RJUFTRFIVYKJQP-LLVKDONJSA-N 346.408 1.088 70 50 EDIA Cn1cc(N2CCC[C@H](N3CCO[C@H](c4nccs4)C3)C2=O)cn1 160116414 UXMMNRKIFORHQR-KBPBESRZSA-N 347.444 1.446 70 50 EDIA COc1ccc(Br)cc1CCC(=O)N1CC[C@@H](N)C1 160322723 ACOBQAXSLHEKOT-GFCCVEGCSA-N 327.222 1.950 70 50 EDIA O=C(Nc1cncc(OS(=O)(=O)F)c1)[C@@H]1Cc2ccccc2O1 1875382725 NPIYOOPVNJAIGC-ZDUSSCGKSA-N 338.316 1.617 70 50 EDIA CSc1ncccc1C(=O)N[C@H]1CCCN(c2cnccn2)C1 217207347 IMPNZFUPYFIBEI-LBPRGKRZSA-N 329.429 1.992 70 50 EDIA COc1ccc(C(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)cc1O 218446180 YFWCTHGEEUXKFU-GJZGRUSLSA-N 335.400 1.962 70 50 EDIA Cc1c(CN2CCn3nc([C@H](O)CO)cc3C2)[nH]c2ccc(F)cc12 218519027 FWEDKPPXEAVHOK-GOSISDBHSA-N 344.390 1.853 70 50 EDIA Cn1c(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cccc1=O 159962635 UFGGHPBESJBKOQ-UHFFFAOYSA-N 341.367 1.110 70 50 EDIA C[C@H]1CN(Cc2ccccc2)C[C@]2(CCN(S(=O)(=O)F)C2)O1 1875368396 OEIQRMKPFRZTKT-ZFWWWQNUSA-N 328.409 1.566 70 50 EDIA Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)c2c(C)noc2C)cn1 217991267 HVAGWASEGADQHT-CABCVRRESA-N 331.372 1.961 70 50 EDIA Cc1cc(C(=O)N2CCC([C@H](C)N3CCOCC3)CC2)cc(=O)[nH]1 217096338 NUBMRSIIPRXIFV-AWEZNQCLSA-N 333.432 1.256 70 50 EDIA CN(C)C1(CNC(=O)N2CCC(c3ccn[nH]3)CC2)CCOCC1 159958603 CPBLEFKMWVQCEE-UHFFFAOYSA-N 335.452 1.410 70 50 EDIA Cc1cc(S(N)(=O)=O)cc(C(=O)N(C)C[C@@H]2CCOC2)c1C 161402921 GDHXSRQXSDAGQT-LBPRGKRZSA-N 326.418 1.059 70 50 EDIA O=C(c1cncc(OS(=O)(=O)F)c1)N1CCOCC12CCC2 1875385561 WCMLMUOVRKBLKM-UHFFFAOYSA-N 330.337 1.070 70 50 EDIA CC(C)N1CCN(Cc2ccccc2OCCN2CCOCC2)CC1 218332003 ACGVFBWMDFBEMR-UHFFFAOYSA-N 347.503 1.924 70 50 EDIA Cc1cc(C)n(CCNC(=O)[C@@H]2Cc3cc(Cl)ccc3N2)c(=O)n1 218119398 RWMMFJZQPOKXRX-HNNXBMFYSA-N 346.818 1.667 70 50 EDIA Cc1nccn1CCCNC(=O)CN1CCOc2ccccc2C1 217996409 PAUQUFISSQZGJS-UHFFFAOYSA-N 328.416 1.592 70 50 EDIA CN(C)CCO[C@@H]1COCC[C@H]1NC(=O)CCc1cc(Cl)no1 218609704 DSIKLOGQDDCRQP-CHWSQXEVSA-N 345.827 1.113 70 50 EDIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NS(=O)(=O)c1cc(C)ccc1OC 218184548 KKSIMSKHOALTFS-OJDYBEQGSA-N 341.429 1.332 70 50 EDIA Cn1cc([C@H](NC(=O)C2(Cn3cccn3)CC2)[C@H]2C[C@@H](O)C2)cn1 218603756 CAUUOELLRTTYAX-BPLDGKMQSA-N 329.404 1.025 70 50 EDIA CC[C@@H](C)[C@@H](CO)NC(=O)c1cn(CC)c2nc(C)ccc2c1=O 218377739 DZTQDZUAFRYEPQ-IAQYHMDHSA-N 331.416 1.862 70 50 EDIA O=C1CC[C@@H]2CN(Cc3ncc[nH]3)CC[C@@H]2N1CC1CCNCC1 216799006 PKRCKQKFDOCYPE-CVEARBPZSA-N 331.464 1.222 70 50 EDIA COc1ccccc1N1CC[C@@H](NC(=O)CCn2cccn2)C1=O 161290550 IIYKPMPKYVMIOO-CYBMUJFWSA-N 328.372 1.204 70 50 EDIA C[C@H]1CN(Cc2ccccc2)CC2(CCN(S(=O)(=O)F)CC2)O1 1875368430 QWETUEKNDZWNDZ-AWEZNQCLSA-N 342.436 1.956 70 50 EDIA Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)NCc1ccccn1 218461283 MDDFKRIQKLXBAI-INIZCTEOSA-N 341.411 1.969 70 50 EDIA Cc1ccccc1[C@H](C(=O)N1CCC2(CCC(=O)N2)CC1)N(C)C 217200111 DUABOCISSTYKIA-QGZVFWFLSA-N 329.444 1.869 70 50 EDIA COC(=O)C[C@H](c1cccc(O)c1)c1c(O)c(C(=O)OC)c[nH]c1=O 217943875 SJCDOXXINQQFJU-LLVKDONJSA-N 347.323 1.268 70 50 EDIA biogenic Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N1CCNC(=O)CC1)O2 217728796 LAWGJBGZDPKFIQ-LJQANCHMSA-N 346.427 1.750 70 50 EDIA CCO[C@@H]1CN(Cc2ccc(OS(=O)(=O)F)cc2)C[C@H]1CO 1875387699 UBWGKXNERWVKJJ-GXTWGEPZSA-N 333.381 1.109 70 50 EDIA CNC(=O)c1ccc(CNC(=O)[C@H]2CCCCN2C(=O)OC)cc1 218590579 CITSWUBVNBTOIY-CQSZACIVSA-N 333.388 1.283 70 50 EDIA O=C(C(=O)N1CCCC[C@H]1CCN1CCOCC1)c1cccnc1 218026666 PTAUEKJAHGEKQH-INIZCTEOSA-N 331.416 1.368 70 50 EDIA Cc1ccc(O)c(CN2CCCC[C@H]2CCNS(C)(=O)=O)n1 159390509 FPKJXZZWZMDKFJ-ZDUSSCGKSA-N 327.450 1.389 70 50 EDIA CC(=O)c1c(C)nn(CC(=O)NCc2cnc3cnccn23)c1C 218441964 VNSSYFALTPWRAL-UHFFFAOYSA-N 326.360 1.062 70 50 EDIA CCSc1nc(CC(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3C)cs1 218587477 GWLNYQNVQWSENB-PWSUYJOCSA-N 339.486 1.877 70 50 EDIA COC(=O)C[C@H](c1cnn(C)c1)c1c(O)c2ccccc2oc1=O 217980177 AKTPAUUFWYRKLL-GFCCVEGCSA-N 328.324 1.927 70 50 EDIA biogenic COCc1ccc(C(=O)N[C@H](Cc2ccncc2)[C@H]2C[C@H](O)C2)o1 218292856 VZHAOWJHJGCUSZ-IJEWVQPXSA-N 330.384 1.933 70 50 EDIA CN(Cc1c[nH]nc1-c1ccccc1)C(=O)C[C@H]1C=CS(=O)(=O)C1 218636557 MERAFXMHJJEKPS-CYBMUJFWSA-N 345.424 1.984 70 50 EDIA OC[C@H](O)c1cc2n(n1)CCCN(Cc1cccc3cnccc13)C2 217169750 JFLHWXZLOHNODJ-IBGZPJMESA-N 338.411 1.863 70 50 EDIA OC[C@@H](O)c1cc2n(n1)CCCN(CCOCc1ccccc1)C2 217215985 JPHWQUQWEXWXMN-GOSISDBHSA-N 331.416 1.331 70 50 EDIA COc1ccc(N(CCS(=O)(=O)F)Cc2ccn(C)n2)cc1 1875382508 DRTAJGHTXQFRFP-UHFFFAOYSA-N 327.381 1.735 70 50 EDIA CN1CCN(C(=O)[C@@H](c2ccc(F)cc2)N2CCCCC2)CC1=O 218266716 IKVTVYZPLVXFJM-QGZVFWFLSA-N 333.407 1.653 70 50 EDIA COc1ccccc1CCN1C[C@H](C(=O)N2CCSCC2)CC1=O 218180174 YUIOITMJWQLCLN-OAHLLOKOSA-N 348.468 1.662 70 50 EDIA CN(C)[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)c1cccc(N3CCOCC3)c1)C2 217662473 YNBKDRNJIDCZLE-DZFIZOCASA-N 343.471 1.935 70 50 EDIA Cc1cc(C)n(CCNC(=O)c2cc(=O)c3ccccc3o2)c(=O)n1 218629107 FLTBZMJSZJCZCJ-UHFFFAOYSA-N 339.351 1.397 70 50 EDIA Cc1ccc2[nH]c([C@H](C)NC(=O)c3c[nH]nc3-n3cnnn3)nc2c1 217079257 VNVUAACMIZBULJ-VIFPVBQESA-N 337.347 1.061 70 50 EDIA Cc1nn(CC(=O)N2CCC[C@@H](CN3CCOCC3)C2)cc1Cl 218298237 BEHNEOWBKDRWPG-AWEZNQCLSA-N 340.855 1.416 70 50 EDIA Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)NCc1ccncc1 218524301 RLAPYJUXTNIKRW-MRXNPFEDSA-N 341.411 1.969 70 50 EDIA Cn1c(COc2ccc(N3CCCC3=O)cc2)nnc1[C@H]1C[C@@H](N)C1 217994683 FHQVQXNXFHXEOE-JOCQHMNTSA-N 341.415 1.726 70 50 EDIA COCc1nc2n(n1)C[C@@H](NC(=O)N1CCc3ccccc31)CC2 160618740 OKHKOSJUVWJKHG-ZDUSSCGKSA-N 327.388 1.512 70 50 EDIA COc1ccc(-c2cc(C(=O)N[C@H](CO)C(C)C)[nH]n2)c(OC)c1 218343837 MOLLIKDQQTVISH-OAHLLOKOSA-N 333.388 1.841 70 50 EDIA COCc1nc([C@H]2C[C@H](NC3Cc4ccccc4C3)C2)cc(=O)[nH]1 218137029 VYEXHTXKXIDQSV-FZNQNYSPSA-N 325.412 1.919 70 50 EDIA CNC[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 161250307 UJSQILKGBUUISV-WCQYABFASA-N 337.370 1.528 70 50 EDIA CC(C)Cc1nc(NC(=O)COc2ccc3c(c2)NC(=O)CC3)n[nH]1 218596203 JKUGCDBFRUHAEG-UHFFFAOYSA-N 343.387 1.905 70 50 EDIA Cc1noc(C)c1CN1C[C@@H]2CC[C@H](C1)CN2C(=O)c1cc(N)n[nH]1 216831809 XZFGVEHDBDLIJH-OLZOCXBDSA-N 344.419 1.333 70 50 EDIA Cc1ccc2cc(C(=O)NCCN3CCS(=O)(=O)CC3)ccc2n1 160148562 HCSAZMWVSFNVDE-UHFFFAOYSA-N 347.440 1.003 70 50 EDIA CC[C@H]1CO[C@H](C)CN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875385321 QVNCRBDRAWHTOF-KOLCDFICSA-N 332.353 1.314 70 50 EDIA Nc1nc(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)cs1 218325927 LSOMVTZIHOUETB-OCCSQVGLSA-N 333.413 1.829 70 50 EDIA O=C(NCCc1cccc(O)c1)N1CCN(Cc2ccccn2)CC1 159972649 KFCCRDSGOCLHFS-UHFFFAOYSA-N 340.427 1.857 70 50 EDIA O=C(c1csc2c1CCCC2)N1CCn2nc([C@@H](O)CO)cc2C1 217801607 ODVWMAFWSXNJMA-HNNXBMFYSA-N 347.440 1.505 70 50 EDIA CCc1nnc(CN(C)C(=O)Cn2ccc(=O)c3ccccc32)o1 218398909 CUSDXTDCXXFPOB-UHFFFAOYSA-N 326.356 1.606 70 50 EDIA CN(Cc1nc2ccccc2n1C)C(=O)CN1CC[C@@H](N(C)C)C1 218693672 FDDNDQBMYNDCDI-CQSZACIVSA-N 329.448 1.168 70 50 EDIA Cn1c(=O)n(C)c2cc(S(=O)(=O)NCC3(C4CC4)CC3)ccc21 160216702 CRXPWIWNIMIUKB-UHFFFAOYSA-N 335.429 1.346 70 50 EDIA CC(C)C[C@H](NC(=O)c1nc2ccccc2[nH]c1=O)c1ncnn1C 218756227 VSBGKQLMKKYXOB-ZDUSSCGKSA-N 340.387 1.569 70 50 EDIA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@@H]1CCOC[C@H]1O 218458708 VOIADAARCWYVFK-VXGBXAGGSA-N 349.836 1.475 70 50 EDIA O=C(N1CCn2nc([C@@H](O)CO)cc2C1)C1(c2ccccc2F)CC1 217196409 AULCLIDELOMOFP-INIZCTEOSA-N 345.374 1.122 70 50 EDIA O=S(=O)(F)CCN(Cc1ccccc1)[C@@H](CCO)C(F)F 1875382952 YVYWABBAIJEESV-LBPRGKRZSA-N 325.352 1.804 70 50 EDIA COc1ncccc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1 460098917 YIWFBOSRTGNWID-UHFFFAOYSA-N 346.361 1.549 70 50 EDIA CCOC(=O)Cc1cc(=O)oc2ccc(OS(=O)(=O)F)cc12 1875368356 LFMCAEOVNHSRMT-UHFFFAOYSA-N 330.289 1.492 70 50 EDIA CN1C[C@]2(CCN(C(=O)COc3ncnc4ccccc34)C2)OC1=O 217160935 UARCCNBIYPIGBU-KRWDZBQOSA-N 342.355 1.062 70 50 EDIA CCOc1ccc(C(=O)NC[C@H](c2ccccn2)N2CCOCC2)o1 217059615 XEUPNXZBOSGZHJ-OAHLLOKOSA-N 345.399 1.877 70 50 EDIA Cc1oc2c(c1C(=O)NCCSc1nncn1C)C(=O)CCC2 218376023 RIDWWBDMHSJNIX-UHFFFAOYSA-N 334.401 1.758 70 50 EDIA C[C@H]1CN(C2CCN(C(=O)c3n[nH]c(N)c3Cl)CC2)C[C@@H](C)O1 216973807 XKUGKGCSWRUOGT-AOOOYVTPSA-N 341.843 1.359 70 50 EDIA O=C(CN1CCC[C@H](O)C1)NCc1cccc(CN2CCCC2)c1 218379795 SBLHBAXRLCSIIN-SFHVURJKSA-N 331.460 1.355 70 50 EDIA C[C@H](c1ccccc1)N(CCS(=O)(=O)F)Cc1nnn(C)n1 1875382605 IQUQDZYZXUYDEB-LLVKDONJSA-N 327.385 1.073 70 50 EDIA COC(=O)c1cc(=O)c2cc(NC3=CC(=O)N(C(C)=O)C3)ccc2o1 217974819 DGOSCOSAXPHSEW-UHFFFAOYSA-N 342.307 1.264 70 50 EDIA biogenic O=C(Cn1ncc2ccccc21)N1CCCO[C@H](Cn2cccn2)C1 217164258 TULGKOAPEHJHDK-INIZCTEOSA-N 339.399 1.551 70 50 EDIA CN1CCN(Cc2oc(CN3CCCCCC3)cc(=O)c2O)CC1 218279723 BTWMSGIVCAPXSJ-UHFFFAOYSA-N 335.448 1.469 70 50 EDIA OC[C@@H](O)c1cc2n(n1)CCN(Cc1c(F)cccc1Cl)C2 218759186 JNBTVLUTAFGHLB-OAHLLOKOSA-N 325.771 1.717 70 50 EDIA O=S(=O)(F)N1CCCN(c2ccc(-c3ccccc3)nn2)CC1 1875368470 SXGNVZSCAONDLU-UHFFFAOYSA-N 336.392 1.870 70 50 EDIA CCn1cc([C@@H](O)CN(Cc2ccccc2)S(=O)(=O)F)cn1 1875368302 HZGIVHFOBDYIKC-AWEZNQCLSA-N 327.381 1.653 70 50 EDIA Cn1c(=O)[nH]cc(CC(=O)NCc2cc3cc(Cl)ccc3[nH]2)c1=O 217189451 UBMRUVIJKVAXRI-UHFFFAOYSA-N 346.774 1.067 70 50 EDIA O=C(c1scc2c1CCCC2)N1CCn2nc([C@H](O)CO)cc2C1 217002413 IOKNGTPDWULELE-OAHLLOKOSA-N 347.440 1.505 70 50 EDIA Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)NCc1cccnc1 218545646 DMIUJUMXWDBPKZ-MRXNPFEDSA-N 341.411 1.969 70 50 EDIA Cc1c(CN2CCn3nc([C@@H](O)CO)cc3C2)[nH]c2ccc(F)cc12 218518956 FWEDKPPXEAVHOK-SFHVURJKSA-N 344.390 1.853 70 50 EDIA CC[C@H](NS(=O)(=O)CCOc1ccc(F)cc1)C1CC(O)C1 218404686 CWDSYTFVEXJEBE-HGMXIMQMSA-N 331.409 1.673 70 50 EDIA O=C(N[C@H]1C[C@H](c2cc(=O)[nH]c(C3CC3)n2)C1)c1ccncc1F 218141941 VKEVHGDURZNLPW-PHIMTYICSA-N 328.347 1.857 70 50 EDIA Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCc1n[nH]c(=O)[nH]1)O2 217741221 OGAIGAZRJWEAPC-QGZVFWFLSA-N 346.387 1.129 70 50 EDIA OCc1cc2n(n1)CCCN(Cc1cnc(N3CCOCC3)s1)C2 217910382 QGENRXZTQJUOCG-UHFFFAOYSA-N 349.460 1.074 70 50 EDIA CCN1C[C@@H](CN(C)C(=O)c2cc(CC(C)C)nc(N)n2)CC1=O 217180759 WJAZOOVBDCZUNE-GFCCVEGCSA-N 333.436 1.198 70 50 EDIA O=C(C1CCN(Cc2ccco2)CC1)N1CCC(n2cnnc2)CC1 217165009 ZKTVCPDBUVIISP-UHFFFAOYSA-N 343.431 1.947 70 50 EDIA CC(=O)N1CCN(Cc2cc3ccccc3o2)[C@@H]2CS(=O)(=O)C[C@@H]21 216754178 PPKBDMVMBMKJBI-CVEARBPZSA-N 348.424 1.263 70 50 EDIA N#Cc1nc(-c2ccco2)oc1N1CCN(S(=O)(=O)F)CC1 2325890201 VUSHGANQDIJKCR-UHFFFAOYSA-N 326.309 1.143 70 50 EDIA Nc1nc(NCCc2nc3ccc(F)cc3[nH]2)cc(C2CC(N)C2)n1 218472696 QILCGTUFEVTDGS-UHFFFAOYSA-N 341.394 1.934 70 50 EDIA O=S(=O)(F)c1ccc(S(=O)(=O)N[C@H]2CCC[C@@H](F)C2)cc1 1776007622 PRMRLKGFEPTGQR-ZJUUUORDSA-N 339.385 1.904 70 50 EDIA O=C(COC[C@@H]1CCCO1)NCCc1nccc(-c2ccccc2)n1 218608838 FFHGOBXKHGIBDS-INIZCTEOSA-N 341.411 1.998 70 50 EDIA Cc1n[nH]c([C@@H]2CCCN(Cc3cnc(N4CCOCC4)s3)C2)n1 217696008 MTYSXQISVQDYAJ-CYBMUJFWSA-N 348.476 1.786 70 50 EDIA COc1cn(CC(=O)NC2CC(C)(C)NC(C)(C)C2)c(C)cc1=O 218274369 FBXIXPSLWUQYBX-UHFFFAOYSA-N 335.448 1.591 70 50 EDIA CN1CCN([C@@H](c2ccsc2)c2sc3ncnn3c2O)CC1 218467425 YYGJFGONSIIQNX-NSHDSACASA-N 335.458 1.895 70 50 EDIA CO[C@@H](C)c1nc(C)c(C(=O)N2CCS(=O)(=O)C(C)(C)C2)s1 160178848 GPXKFIFXCDKXJE-JTQLQIEISA-N 346.474 1.808 70 50 EDIA Cc1c(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C)c(O)nc2ccccc12 159702521 VEGVJWHXAGQUAE-LSDHHAIUSA-N 327.384 1.404 70 50 EDIA Cc1n[nH]c([C@@H]2CCCN2C(=O)CCN2Cc3ccccc3C2=O)n1 217510144 SBZXGPOWCZDHAQ-HNNXBMFYSA-N 339.399 1.823 70 50 EDIA COC(=O)C[C@@H](c1cnn(C)c1)c1c(O)c2ccccc2oc1=O 217980247 AKTPAUUFWYRKLL-LBPRGKRZSA-N 328.324 1.927 70 50 EDIA biogenic CC[C@@H](C)[C@@H](CO)NC(=O)CCc1c(C)nc2cc(=O)[nH]n2c1C 218432036 QHBUWFDSIGAPQM-QMTHXVAHSA-N 334.420 1.095 70 50 EDIA O=C(NCCc1ccncc1)C1CCN(C(=O)[C@H]2CCCO2)CC1 218118369 REYJNNXWNMFZLW-MRXNPFEDSA-N 331.416 1.158 70 50 EDIA CC(=O)N1CCC(N2CCN(Cc3ccsc3)C[C@@H](O)C2)CC1 217508147 BYWOFGUBGRFLGG-QGZVFWFLSA-N 337.489 1.238 70 50 EDIA Cc1cc(=O)cc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)o1 217666659 GJHFJOSYRTWDPJ-UHFFFAOYSA-N 332.400 1.813 70 50 EDIA C[C@H](Cc1ccc(Br)cc1)NC(=O)[C@H]1C[C@@H](O)CN1 217812898 BSUPASSHSJJZIZ-OASPWFOLSA-N 327.222 1.219 70 50 EDIA CCOc1ccc(C(=O)NC[C@H](c2cccnc2)N2CCOCC2)o1 217767342 TYLBALKLHSBABP-OAHLLOKOSA-N 345.399 1.877 70 50 EDIA CCc1cnc(N2CCn3nc([C@@H](O)c4nccn4C)cc3C2)nc1 218371634 RYHXAMXXLKFDRJ-OAHLLOKOSA-N 339.403 1.071 70 50 EDIA COc1ccc(CCNC(=O)COc2c(C)occc2=O)cc1OC 218114056 AMUWCJDGKWLTSA-UHFFFAOYSA-N 347.367 1.703 70 50 EDIA biogenic Nc1nc(C2CC(N)C2)cc(N2CCN(Cc3cccs3)CC2)n1 218105668 UPXIAPKFZQIWFO-UHFFFAOYSA-N 344.488 1.647 70 50 EDIA O=C(NCc1ccnc(-n2cccn2)c1)N[C@@H]1CCc2[nH]ncc2C1 159853285 UUFKCPZJCRKCSY-CQSZACIVSA-N 337.387 1.347 70 50 EDIA O[C@@H]1[C@H]2CC[C@@H]1CN(Cc1ccc(OCCN3CCOCC3)cc1)C2 217475830 BZTIQVKOXJXYNA-RUYXUALKSA-N 346.471 1.600 70 50 EDIA CN(CCN1CCCCC1=O)C(=O)c1ccc(N2CCOCC2)cc1 218545695 VREHRTOMWNZDDU-UHFFFAOYSA-N 345.443 1.608 70 50 EDIA CN(C)C[C@@H](O)c1cc2n(n1)CCCN(Cc1nccn1C1CC1)C2 218328539 DSNWZESKRJFQKV-QGZVFWFLSA-N 344.463 1.415 70 50 EDIA Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)NCCc1c[nH]cn1 218488027 AUQAFQZFQASAMG-HNNXBMFYSA-N 344.415 1.340 70 50 EDIA CS(=O)(=O)N1CCC[C@H]1C(=O)N(Cc1nccs1)C1CC1 218250804 LPWJNFJMZXEKFJ-NSHDSACASA-N 329.447 1.058 70 50 EDIA CC(=O)N1CCCc2ccc(S(=O)(=O)NCc3ccncc3)cc21 159549746 MKRPUGACEMHHIG-UHFFFAOYSA-N 345.424 1.859 70 50 EDIA Cc1n[nH]c([C@H]2CCCN2C(=O)CC2=CSC3=NCCCN23)n1 217177668 ZYVGQCVLPFDEOB-GFCCVEGCSA-N 332.433 1.817 70 50 EDIA Cn1c(C(=O)N2CCC(CS(=O)(=O)F)CC2)ccc1[N+](=O)[O-] 2325887646 IHOHQYFDHVZTLX-UHFFFAOYSA-N 333.341 1.085 70 50 EDIA O=C1CCC(C(=O)N2CCN(c3nsc4ccccc34)CC2)=NN1 218675978 PIGHQFNCBUKFCP-UHFFFAOYSA-N 343.412 1.211 70 50 EDIA Cn1ccnc1CN1CCN(C(=O)COCc2ccccc2)CC1 217450186 SIFHMJLRLYQIRK-UHFFFAOYSA-N 328.416 1.281 70 50 EDIA Cc1nnnn1CCC(=O)N[C@@H](Cn1ccnc1)c1ccccc1 218268783 NEXZENFRHXKGIW-HNNXBMFYSA-N 325.376 1.126 70 50 EDIA C[C@H](Oc1ccc(F)cc1F)C(=O)NCCSc1nncn1C 217165095 ZOVQXEJARNECMK-VIFPVBQESA-N 342.371 1.769 70 50 EDIA Cc1cnc2c(C(=O)N3CCCn4nc([C@H](C)O)cc4C3)cnn2c1 216988637 WSTPVAHFYDMCPU-LBPRGKRZSA-N 340.387 1.334 70 50 EDIA CN(C(=O)c1cncc(OS(=O)(=O)F)c1)c1cccc(F)n1 1875383855 BMSXHWWPKOHZBI-UHFFFAOYSA-N 329.284 1.485 70 50 EDIA COc1ccc([C@H](NC(=O)c2cccnc2O)C2CC(O)C2)cn1 218774335 LLEBNODADBPFOV-QOZQQMKHSA-N 329.356 1.433 70 50 EDIA Cc1cc(N2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)ccn1 218162179 LKWFTGGERGZJQV-GOSISDBHSA-N 338.415 1.812 70 50 EDIA CO[C@@H]1CCOC[C@H]1NS(=O)(=O)c1cccc(C(F)(F)F)c1 217051090 HOISDAXQJSQCMS-VXGBXAGGSA-N 339.335 1.788 70 50 EDIA O=C(CN1CCOc2ccccc2C1)N1CCC(n2cnnc2)CC1 217588515 RXEYOJJMIVSZRQ-UHFFFAOYSA-N 341.415 1.336 70 50 EDIA O=c1cc(CN2CCO[C@]3(CCc4ccccc43)C2)[nH]c2ccnn12 159618837 RALRPDVUKIPOEZ-LJQANCHMSA-N 336.395 1.697 70 50 EDIA CC[C@@H](NC(=O)Cc1c[nH]c(=O)[nH]c1=O)c1nc2cc(C)ccc2[nH]1 217895763 KKCRAHXXUUOTIS-LLVKDONJSA-N 341.371 1.058 70 50 EDIA O=C(NCc1noc(C2CC2)n1)C1(N2CCOCC2)CCCCC1 218761555 TWZQCIVQVJUGIY-UHFFFAOYSA-N 334.420 1.598 70 50 EDIA CNc1cc(C)nc(N2CCN(Cc3ccccc3)C[C@@H](O)C2)n1 217426030 MLWKDSVPCWSWFD-MRXNPFEDSA-N 327.432 1.510 70 50 EDIA O=C(CCc1nc(-c2ccncc2)no1)Nc1n[nH]c(C2CC2)n1 218376511 SITILQYCZIZTPE-UHFFFAOYSA-N 325.332 1.698 70 50 EDIA O=C(CN1CCOc2ccccc2C1)NCc1cnc2cnccn12 217642447 KOKMKJHVUJXOKB-UHFFFAOYSA-N 337.383 1.240 70 50 EDIA Cc1nc2ncccn2c1C(=O)N[C@H]1CCOC[C@H]1C1CCOCC1 218688894 AKXVWJBULMHNEI-GJZGRUSLSA-N 344.415 1.599 70 50 EDIA Cc1cccc2[nH]c(COCC(=O)N(C)C[C@H]3COCCO3)nc12 217442600 KKXWQJYRUCUCCM-ZDUSSCGKSA-N 333.388 1.262 70 50 EDIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1cccc(O)c1 217703648 IHTOEEGQWYVINA-LLVKDONJSA-N 329.308 1.698 70 50 EDIA biogenic Cc1ccc2nc(CCN3CCn4nc([C@@H](O)CO)cc4C3)[nH]c2c1 217494308 FRJIUOYFLGFJEE-KRWDZBQOSA-N 341.415 1.152 70 50 EDIA COc1ccc(Nc2cc(N3CCN(C)CC3)ncn2)c(OC)c1 216847553 VGCJSOJXKSXNFX-UHFFFAOYSA-N 329.404 1.989 70 50 EDIA C[C@H](O)c1cc2n(n1)CCN(Cc1cc(C(N)=O)oc1C(C)(C)C)C2 217735682 BDOWEWFKFBWPKI-NSHDSACASA-N 346.431 1.942 70 50 EDIA CC(C)c1nc(NC(=O)[C@@H](C)n2cnc3ccccc3c2=O)n[nH]1 218602981 KKWAZQGCSHMYBD-SNVBAGLBSA-N 326.360 1.838 70 50 EDIA CN(CC(=O)N1CCC[C@H](c2ccncn2)C1)Cc1cccnc1 217133018 KXNKMSAUEJTARR-INIZCTEOSA-N 325.416 1.710 70 50 EDIA COC[C@H]1CCCN(C(=O)c2cncc(OS(=O)(=O)F)c2)C1 1875384865 JLVVFANUGCBQTQ-JTQLQIEISA-N 332.353 1.173 70 50 EDIA COc1ccccc1-n1cc(CNC(=O)[C@H](O)CCSC)cn1 216949612 AQJMSXPFSBGEAD-CQSZACIVSA-N 335.429 1.611 70 50 EDIA O=C(CCOc1ccccc1)N1CCCn2nc([C@H](O)CO)cc2C1 217534372 HDMGPSKOZBZOPX-QGZVFWFLSA-N 345.399 1.110 70 50 EDIA O=C(CCc1ccc(F)c(F)c1)N[C@@H]1CCOC[C@H]1OCCO 218120621 OBBNIZBGPYQYKP-HUUCEWRRSA-N 329.343 1.180 70 50 EDIA O=C(N[C@H]1C[C@H](c2cc(N3CC[C@H](O)C3)ncn2)C1)c1ccco1 218732327 SEWJXRATPCJODP-XQQFMLRXSA-N 328.372 1.317 70 50 EDIA Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)NCc1cccnc1 218545554 DMIUJUMXWDBPKZ-INIZCTEOSA-N 341.411 1.969 70 50 EDIA CCc1nc(C)ccc1OCC(=O)N1CCC[C@H](N2CCCC2=O)C1 217577482 BGXQXIZOSFVNLB-HNNXBMFYSA-N 345.443 1.945 70 50 EDIA CCCCSc1nc(N)cc(N2CCN(C)[C@@H](CCO)C2)n1 217725435 NHOBOVWTHDOBCA-LBPRGKRZSA-N 325.482 1.454 70 50 EDIA Cc1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cnc1O 460096812 RUFDIIRXYUQOMS-UHFFFAOYSA-N 346.361 1.555 70 50 EDIA Cc1cc(F)c(S(=O)(=O)N2CCN(CC(C)(C)O)CC2)cc1F 160828299 IJQKHDMPTSLCLA-UHFFFAOYSA-N 348.415 1.350 70 50 EDIA COc1nc2ccccc2nc1CCC(=O)N[C@@H]1C[C@@H]2OCC[C@@H]21 216936567 BHXXOSPSXIXYNN-LYRGGWFBSA-N 327.384 1.865 70 50 EDIA O=C(CN1CCC[C@@H](O)C1)NCc1cnn(-c2cccc(F)c2)c1 217052448 JDENFVPHPGGYAZ-MRXNPFEDSA-N 332.379 1.084 70 50 EDIA O=C(CCN1CCCn2nc(CO)cc2C1)NC1CCCCCC1 217653853 WYQNLSVQDLRDBT-UHFFFAOYSA-N 334.464 1.810 70 50 EDIA CC(C)[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O 217594073 ZOPVEJKOSAIVKU-LSDHHAIUSA-N 347.415 1.020 70 50 EDIA biogenic Cc1ccc(S(=O)(=O)CCC(=O)N2CC[C@H]3CC[C@@H](C2)N3)cc1 218127076 XRNWAIMGGJMXDX-CABCVRRESA-N 336.457 1.512 70 50 EDIA Cn1cc([C@@H](NC(=O)c2cnc3ccccc3n2)C2CC(O)C2)cn1 218040682 RVLVINUBJCVJRQ-YUNLISADSA-N 337.383 1.605 70 50 EDIA CSCC[C@H](NC(C)=O)C(=O)N1CCC(c2ccncn2)CC1 217570793 FCIFSZAIEGQZJF-HNNXBMFYSA-N 336.461 1.440 70 50 EDIA CN(C(=O)[C@@H]1CSCN1)[C@@H]1CCN(c2ccccc2Cl)C1=O 159744279 SQAQYZMUQGVMFH-WCQYABFASA-N 339.848 1.566 70 50 EDIA CC[C@@H](C)[C@@H](CO)NC(=O)C1CCN(c2ccc(Cl)nn2)CC1 218247287 COSJJZRSGSSYJZ-DGCLKSJQSA-N 340.855 1.870 70 50 EDIA CCN1Cc2ccccc2C[C@@H]1C(=O)NCCSc1nncn1C 217658683 RVXBWBKSBARBPK-OAHLLOKOSA-N 345.472 1.470 70 50 EDIA O=C(Cn1ccnc1)N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1 218610103 MRNYUUNNOSDNFQ-JMLCCBQJSA-N 327.384 1.446 70 50 EDIA CN(C)[C@@H](C(=O)N1CCC(c2nnc[nH]2)CC1)c1ccc(F)cc1 217944261 CXYDDHVAXPYWSK-OAHLLOKOSA-N 331.395 1.953 70 50 EDIA COc1ccc([C@@H](NC(=O)c2cccnc2O)C2CC(O)C2)cn1 218774266 LLEBNODADBPFOV-KOHJWAIASA-N 329.356 1.433 70 50 EDIA CN(CCNC(=O)Nc1ccc(OS(=O)(=O)F)cc1)C1CC1 1875388094 MSSKFRFJJLPSMA-UHFFFAOYSA-N 331.369 1.495 70 50 EDIA CN(CCO)CC(=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 218276996 ZAXKVOAUXPTPPH-GSQSYGFSSA-N 343.427 1.087 70 50 EDIA CO[C@H]1CC[C@H](C)N(C(=O)c2cncc(OS(=O)(=O)F)c2)C1 1875385034 LJCDUDLTVVQCIN-ONGXEEELSA-N 332.353 1.314 70 50 EDIA O=C(N1CCn2nc([C@H](O)CO)cc2C1)C1(c2ccccc2F)CC1 217196417 AULCLIDELOMOFP-MRXNPFEDSA-N 345.374 1.122 70 50 EDIA Cc1nc(N2CCCn3nc([C@@H](O)CO)cc3C2)c2ccsc2n1 217645861 MLXWBYOVONYUAY-AWEZNQCLSA-N 345.428 1.632 70 50 EDIA Cc1ncsc1CCC(=O)N[C@@H](c1cnn(C)c1)[C@H]1C[C@H](O)C1 218195038 NRNSZXFSXWYQSB-PVXIVEMSSA-N 334.445 1.746 70 50 EDIA Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1ccncc1O 218439314 QZWPUYRTSXUSOF-GDBMZVCRSA-N 347.371 1.496 70 50 EDIA COc1cccc(CN2CCN(C(=O)Cc3ccccn3)CC2=O)c1 217493565 JZBSADMDDWFVHE-UHFFFAOYSA-N 339.395 1.504 70 50 EDIA CN(CC[C@H]1CCCCO1)C(=O)COc1cccc(-n2cnnn2)c1 217082432 IPWJFQJYHSGRRG-OAHLLOKOSA-N 345.403 1.459 70 50 EDIA COc1c(F)ccc(CN2CCn3nc([C@@H](O)CO)cc3C2)c1F 218670770 YEMQALZLQJKVAO-AWEZNQCLSA-N 339.342 1.211 70 50 EDIA O=C(c1ccccc1N1CCCC1)N1CCN(Cc2nnc[nH]2)CC1 217561730 RHOYKNWVDCELTF-UHFFFAOYSA-N 340.431 1.363 70 50 EDIA CSCC[C@@H](CO)NC(=O)CCCN1Cc2ccccc2C1=O 218248827 MLYMHPDZWXKEHW-AWEZNQCLSA-N 336.457 1.653 70 50 EDIA O=C(N[C@H]1CCO[C@H](C2CC2)C1)N1CCOCC2(CCOCC2)C1 160365089 WWTYQICTIJVYPY-HOTGVXAUSA-N 338.448 1.783 70 50 EDIA Cc1ncnc(C)c1C(=O)Nc1ccc(OS(=O)(=O)F)cc1 2325891938 KXGDFLBLSFXLIR-UHFFFAOYSA-N 325.321 1.939 70 50 EDIA CC[C@@H](C)[C@@H](CO)NC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2 218254072 HGMKXPGGFFNDRQ-BXUZGUMPSA-N 345.399 1.985 70 50 EDIA COc1ccnc(CN2CCn3nc([C@@H](O)C4CC4)cc3C2)c1OC 218320271 AMGBDVIUQRRBGK-KRWDZBQOSA-N 344.415 1.755 70 50 EDIA Cc1ccc(CN2CCN(C(=O)c3ccncc3O)CC2=O)cc1C 217366207 WBERHRFTGFPAGG-UHFFFAOYSA-N 339.395 1.889 70 50 EDIA O=C(NCCNC(=O)c1ccco1)c1cccc(S(=O)(=O)F)c1 952850115 YXJIGWIHAUZUQF-UHFFFAOYSA-N 340.332 1.098 70 50 EDIA O=S(=O)(F)N1CCC(c2nccc(C3CCOCC3)n2)CC1 1875368324 IUALWCFXMXBKRG-UHFFFAOYSA-N 329.397 1.764 70 50 EDIA COC(=O)CC(C)(C)CC(=O)Nc1cncc(OS(=O)(=O)F)c1 1875387550 MWSJRTAUJDEJTG-UHFFFAOYSA-N 348.352 1.593 70 50 EDIA Cc1nc2ccccn2c1CN(C)c1cc(C2CC(N)C2)nc(N)n1 218608163 ZEGLUBFOKOSUIW-UHFFFAOYSA-N 337.431 1.856 70 50 EDIA C[C@H](O)c1cc2n(n1)CCCN(Cc1cccc(OCC(N)=O)c1)C2 218044990 QGVTYRDPZXEZPD-ZDUSSCGKSA-N 344.415 1.206 70 50 EDIA O=C(Nc1ccnn1C[C@H]1CCOC1)N1CCC[C@@H]1Cn1ccnc1 159451489 RWFRDKLDIKJXKG-HUUCEWRRSA-N 344.419 1.813 70 50 EDIA CSc1ncc(C(=O)N[C@@H]2CCCN(Cc3cccnc3)C2)cn1 218056548 IJNGMPKIXQHAFN-OAHLLOKOSA-N 343.456 1.988 70 50 EDIA O=S(=O)(F)N1CCC(NCc2c[nH]nc2-c2ccsc2)CC1 2325890179 MCVBGVBFLLHZAO-UHFFFAOYSA-N 344.437 1.907 70 50 EDIA Cc1nonc1CC(=O)NCCc1nc2sc(C)c(C)c2c(=O)[nH]1 218765321 IDFRNMLKQASJFY-UHFFFAOYSA-N 347.400 1.194 70 50 EDIA O=C(CSc1ncccn1)N[C@@H]1CCCN(c2cnccn2)C1 216963201 AANOXXUZPQWVMB-GFCCVEGCSA-N 330.417 1.144 70 50 EDIA Cc1cc(=O)cc(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3)C2)o1 218440038 DUFORERWNYACJO-AWEZNQCLSA-N 326.352 1.479 70 50 EDIA CN1CCN(S(=O)(=O)c2ccc(NC(=O)C3=CCCC3)cc2)CC1 159848102 LDYSJTLTSOZGAW-UHFFFAOYSA-N 349.456 1.672 70 50 EDIA Cc1ccn2cc(CNC(=O)CC[C@H](C)N3CCN(C)CC3)nc2c1 218589954 RTMLEWZMYGXAOP-INIZCTEOSA-N 343.475 1.675 70 50 EDIA COc1cc(NC2=CC(=O)N(C(C)=O)C2)ccc1NC(=O)C(C)C 218572616 DZFDHKPMJTVFPR-UHFFFAOYSA-N 331.372 1.974 70 50 EDIA COc1ccc([C@H](NC(=O)c2ncccc2O)C2CC(O)C2)cn1 218003966 JUYYLXXLGZGADH-QOZQQMKHSA-N 329.356 1.433 70 50 EDIA CS(=O)(=O)c1ccc(OC(F)(F)F)c(S(=O)(=O)Cl)c1 101444787 RGJAAITVQPBPFU-UHFFFAOYSA-N 338.712 1.916 70 50 EDIA NC(=O)[C@@H]1CCCN1C1CCN(c2nc3cc(F)ccc3o2)CC1 160788550 PFOOGSPQICCKNQ-AWEZNQCLSA-N 332.379 1.885 70 50 EDIA COc1ccc(N(CCS(=O)(=O)F)Cc2cnn(C)c2)cn1 1875382451 BNQUIBGTIHOPFT-UHFFFAOYSA-N 328.369 1.130 70 50 EDIA COC[C@H]1CCCCN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875384164 DECKZCLABQUGBO-LLVKDONJSA-N 332.353 1.316 70 50 EDIA CSc1ccccc1C(=O)N1CCC2(CC1)C(=O)NCCCN2C 217877585 VWSJWILFBKQIGY-UHFFFAOYSA-N 347.484 1.835 70 50 EDIA O=C(CCn1cnnn1)NC[C@H](c1ccccc1)N1CCCCC1 217034932 DZMCDONASMBAFF-MRXNPFEDSA-N 328.420 1.407 70 50 EDIA COc1ccc2occ([C@@H](CC(N)=O)c3c(C)[nH][nH]c3=O)c(=O)c2c1 218251311 LSYIDSGOLVIUNT-SNVBAGLBSA-N 343.339 1.134 70 50 EDIA CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(N2CCOCC2)cc1 218683158 ALZOZRSAHUDOGA-IAGOWNOFSA-N 334.416 1.447 70 50 EDIA COc1cc(CC(=O)N[C@@H]2CCOC[C@H]2OC)cc(OC)c1OC 218285483 IOIWZMBYFZFEQD-IUODEOHRSA-N 339.388 1.175 70 50 EDIA Cn1ccnc1[C@@H](O)c1cc2n(n1)CCN(CCc1ccccc1)C2 218571026 LSBYPTIUWXUYAT-SFHVURJKSA-N 337.427 1.757 70 50 EDIA O[C@H]1CN(Cc2ccc3c(c2)OCO3)CCN(c2ccncc2)C1 217460148 FWTSDROFUYBGQU-INIZCTEOSA-N 327.384 1.493 70 50 EDIA CN(CC(=O)N1CCCO[C@@H](Cn2cccn2)C1)Cc1ccncc1 217933053 MTZRZJQFJCWEDO-QGZVFWFLSA-N 343.431 1.028 70 50 EDIA O=C(CCN1CCn2nc(CO)cc2C1)N1CCc2ccccc2C1 217047000 FIONJOGMWXCQQM-UHFFFAOYSA-N 340.427 1.166 70 50 EDIA Cc1noc([C@H](C)NC(=O)CCc2ccc(S(=O)(=O)F)cc2)n1 1354280209 DCZBZCVJWAUTOI-VIFPVBQESA-N 341.364 1.846 70 50 EDIA O=C(NCCc1noc(CO)n1)[C@H]1CCCCN1Cc1ccccc1 217620770 KIBPLUKCNGXKJE-OAHLLOKOSA-N 344.415 1.275 70 50 EDIA CC1(C)C(=O)NCCN1CC(=O)NCCn1ccc2ccc(F)cc21 218184582 AASHWDRHRXNXSW-UHFFFAOYSA-N 346.406 1.107 70 50 EDIA CN1CCN(C(=O)[C@H](c2ccc(F)cc2)N2CCCCC2)CC1=O 218266766 IKVTVYZPLVXFJM-KRWDZBQOSA-N 333.407 1.653 70 50 EDIA CCC(=O)NCC(=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 218593060 PXZIUENTYXSEGU-XBMPDCEQSA-N 341.411 1.689 70 50 EDIA CO[C@@H]1CCCN(C(=O)c2cncc(OS(=O)(=O)F)c2)[C@@H]1C 1875384621 HKKANGOXVCPDMF-BXKDBHETSA-N 332.353 1.314 70 50 EDIA Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1cccc(=O)[nH]1 218474548 GNFXCTHMOXXNKF-UKRRQHHQSA-N 347.371 1.084 70 50 EDIA CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)Nc1nnc[nH]1 218515045 BHBHRRHLEROGOD-MFKMUULPSA-N 329.385 1.792 70 50 EDIA Cc1nn(CCNC(=O)c2cc(=O)n(-c3ccccc3)[nH]2)c(C)c1C 218436242 JUSNYJKCZSUYGK-UHFFFAOYSA-N 339.399 1.717 70 50 EDIA Cn1cc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)cn1 218174741 AQOGAGSMEFLGHB-AWEZNQCLSA-N 341.371 1.259 70 50 EDIA O=C(CCc1nc2ccccc2[nH]1)N[C@H]1COC[C@@H]1N1CCCCC1 218614615 RXNCCHBXVDFSMF-IRXDYDNUSA-N 342.443 1.865 70 50 EDIA C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1csc(CN(C)C)n1)C2 217137267 KGQIIEDBASVCKL-SNVBAGLBSA-N 335.433 1.111 70 50 EDIA COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCC1CC1)C=C2 217918540 OJQVFMKCPBGUMD-UHFFFAOYSA-N 330.384 1.585 70 50 EDIA biogenic OC[C@@H](O)c1cc2n(n1)CCCN(Cc1nc3c(s1)CCCC3)C2 217015075 XLCYHEUNYTXRHX-OAHLLOKOSA-N 348.472 1.650 70 50 EDIA CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1nc2ccccc2n1C 218560296 AURYXCNDHUNXIN-LRDDRELGSA-N 328.416 1.865 70 50 EDIA Nc1ccc(C(=O)N2CCN(Cc3ccccc3CO)CC2)cn1 218059730 DMLVEBZNNYMQKR-UHFFFAOYSA-N 326.400 1.114 70 50 EDIA Cn1cnnc1SCCNC(=O)c1cccc(OC(F)F)c1 217461488 GFAVXVOQMJXLGW-UHFFFAOYSA-N 328.344 1.939 70 50 EDIA COCCNc1nc2cc(C(=O)NCc3nnc(C)o3)ccc2n1C 217070673 DWNQDUCSOYQRSF-UHFFFAOYSA-N 344.375 1.253 70 50 EDIA CN(C)[C@@H]1[C@@H](NC(=O)c2ccc(-n3ccnc3)cc2)[C@H]2CCO[C@H]21 218263145 LLIMBJSOTCTQME-YYIAUSFCSA-N 326.400 1.320 70 50 EDIA Cc1cc2c(c(=O)o1)[C@@H](c1ccc3c(c1)n(C)c(=O)n3C)CC(=O)O2 217954848 PMXGYYGJQYJEAW-LLVKDONJSA-N 340.335 1.580 70 50 EDIA biogenic O=C(CCCn1cccn1)Nc1cncc(OS(=O)(=O)F)c1 1875382416 AAICDVJONORBOY-UHFFFAOYSA-N 328.325 1.290 70 50 EDIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cc(C)nc2onc(C)c12 218329343 FIBNQEUPKGWPJE-BTQDYEIMSA-N 331.372 1.619 70 50 EDIA COc1ccc(N(CCS(=O)(=O)F)Cc2cnc(C)o2)cn1 1875382833 TYCOSWHZEFWCOD-UHFFFAOYSA-N 329.353 1.693 70 50 EDIA O=C(c1cccc2c1OCCO2)N1CCCn2nc(CO)cc2C1 216936765 LRDSYGGERONGQX-UHFFFAOYSA-N 329.356 1.193 70 50 EDIA O=C(NCCc1noc(C(F)(F)F)n1)c1ccc2c(c1)OCO2 217003064 XNMRFLHPUCPMDC-UHFFFAOYSA-N 329.234 1.790 70 50 EDIA Cc1ccc(C)c(OC[C@@H](O)CN2CCOC[C@@H]2c2nc(C)no2)c1 160907892 XWLLZSHXWYBZPU-JKSUJKDBSA-N 347.415 1.808 70 50 EDIA Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)n1 218269401 KBFZJZGLEJGEPH-QGZVFWFLSA-N 340.427 1.975 70 50 EDIA COc1ccccc1CCN1C[C@@H](C(=O)N2CCSCC2)CC1=O 218180253 YUIOITMJWQLCLN-HNNXBMFYSA-N 348.468 1.662 70 50 EDIA COc1cccc2c(O)c(C(=O)NCCCN3CCOCC3)cnc12 218262646 GFEHERQHJYLKRN-UHFFFAOYSA-N 345.399 1.401 70 50 EDIA Cc1ccc2nc(CCN3CCn4nc([C@H](O)CO)cc4C3)[nH]c2c1 217494397 FRJIUOYFLGFJEE-QGZVFWFLSA-N 341.415 1.152 70 50 EDIA CN(Cc1nc2ccc(F)cc2[nH]1)c1cc(C2CC(N)C2)nc(N)n1 218475951 HMLDNXAHZZNPFK-UHFFFAOYSA-N 341.394 1.915 70 50 EDIA CO[C@H]1CN(C(=O)c2cncc(OS(=O)(=O)F)c2)CC1(C)C 1875384606 HAUIFYYVAKHAHS-NSHDSACASA-N 332.353 1.172 70 50 EDIA COC(=O)C[C@@H](c1c(O)c2ccccc2oc1=O)c1ccnn1C 218133762 OEHFVCOBMXHOTA-LLVKDONJSA-N 328.324 1.927 70 50 EDIA COc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H](O)CN2)cc1Br 217914702 JUFBJGYGWFAQDT-MKPLZMMCSA-N 343.221 1.358 70 50 EDIA COc1cccc2c(O)c(C(=O)NCCN3CCOCC3)cnc12 218304376 VVIRKCGWWRYLSP-UHFFFAOYSA-N 331.372 1.011 70 50 EDIA CN1CCN(C(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)CC1 218078852 ZJHUTWQZOFNEPT-CVEARBPZSA-N 337.395 1.319 70 50 EDIA O=C(Cn1ncc2ccccc21)NCCc1noc([C@@H]2CCCO2)n1 217370358 OKVCIQNUGPAHAR-AWEZNQCLSA-N 341.371 1.630 70 50 EDIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)N1CCC[C@@H]1CCO 1875382745 OQBXRAXGLLQCDJ-LLVKDONJSA-N 332.353 1.658 70 50 EDIA Cn1ccnc1[C@H](O)c1cc2n(n1)CCN(CCc1ccccc1)C2 218571104 LSBYPTIUWXUYAT-GOSISDBHSA-N 337.427 1.757 70 50 EDIA Cc1ncsc1CCC(=O)N[C@H](c1cnn(C)c1)[C@H]1C[C@H](O)C1 218195100 NRNSZXFSXWYQSB-GHJWDPDVSA-N 334.445 1.746 70 50 EDIA COc1ccc2occ([C@H](CC(N)=O)c3c(C)[nH][nH]c3=O)c(=O)c2c1 218251248 LSYIDSGOLVIUNT-JTQLQIEISA-N 343.339 1.134 70 50 EDIA Cc1nc(CCN(C)C(=O)CN2CC[C@@H](c3ccccc3)C2)no1 218424569 QYBGYOIRVSFKJF-MRXNPFEDSA-N 328.416 1.868 70 50 EDIA O=C(Nc1ccnn1C[C@H]1CCOC1)N1CCC[C@H]1Cn1ccnc1 159451636 RWFRDKLDIKJXKG-CABCVRRESA-N 344.419 1.813 70 50 EDIA CCN1Cc2ccccc2C[C@@H]1C(=O)NCc1cnc2cnccn12 217216006 BDKKWGWDHNIGFM-QGZVFWFLSA-N 335.411 1.792 70 50 EDIA O=C(NCCN1CCOCC1)c1cnc2ccc(Cl)cc2c1O 218266234 JDEUSLNCDYNHOO-UHFFFAOYSA-N 335.791 1.656 70 50 EDIA O=C(NCCc1cc2ccccc2[nH]1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 159674442 HKEQLDNXHSKNBL-ZDUSSCGKSA-N 337.383 1.603 70 50 EDIA CCO[C@H]1CN(Cc2ccc(OS(=O)(=O)F)cc2)C[C@H]1CO 1875387700 UBWGKXNERWVKJJ-JSGCOSHPSA-N 333.381 1.109 70 50 EDIA O=C(NCCNC1CCCCCC1)c1n[nH]c(=O)c2ccccc12 159713627 CQHFSOUSAZAGDM-UHFFFAOYSA-N 328.416 1.965 70 50 EDIA CCn1c(C)cc(C)c(C(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@H]2COC)c1=O 218129109 AJHXZSFXYTVQMY-SDADXPQNSA-N 334.416 1.265 70 50 EDIA Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H]3COCC[C@H]3O)cc2)n1 217206664 OVNAIPSALXFSNQ-IAGOWNOFSA-N 329.400 1.428 70 50 EDIA CCOC(=O)N1CCN(C(=O)CC2(n3cccc3)CCOCC2)CC1 218179943 QLWWDNPPCRHJQD-UHFFFAOYSA-N 349.431 1.685 70 50 EDIA Cn1cnc2cc(C(=O)N[C@H]3CCN(c4ncccc4F)C3)cnc21 160775560 FICWCXOSJBETHS-LBPRGKRZSA-N 340.362 1.511 70 50 EDIA Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2cccc3nccnc23)o1 218393446 JDYDEMCRIJVDBN-LLVKDONJSA-N 325.324 1.604 70 50 EDIA O=C(CN1CCC(c2ccccc2)CC1)N1CCC[C@](O)(CO)CC1 217961239 YAIJGRBDPZWRHP-HXUWFJFHSA-N 346.471 1.602 70 50 EDIA C[C@H]1COC(C)(C)CN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875384152 CYFFNGACMAJTBL-VIFPVBQESA-N 332.353 1.314 70 50 EDIA C[C@@H]1CSCCCN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875384142 CVWWBEWIORZPPX-SECBINFHSA-N 334.394 1.642 70 50 EDIA CCn1c(CNC(=O)[C@H](CCSC)NC(C)=O)nc2ccccc21 217779770 CWGLFQZASVTCTD-AWEZNQCLSA-N 348.472 1.930 70 50 EDIA Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)NCCCO)n1 218250915 DBSZEAAVVUIQBA-MRXNPFEDSA-N 328.416 1.615 70 50 EDIA CC[C@H](C)OCC(=O)N1CCC(C(=O)Nc2nncs2)CC1 159474740 BRTRSAHCHOHGAX-JTQLQIEISA-N 326.422 1.530 70 50 EDIA COc1cccc2c1CCc1c(C(=O)N[C@H](CO)C(C)C)n[nH]c1-2 218475305 QQGWDZXRUZVOCE-CQSZACIVSA-N 329.400 1.931 70 50 EDIA Cc1ccc(-c2noc(CN3CCN(S(=O)(=O)F)CC3)n2)cc1 1875368514 XJWPXLCEEXZPGZ-UHFFFAOYSA-N 340.380 1.377 70 50 EDIA Cc1ccc2[nH]c([C@@H](C)NC(=O)c3c[nH]nc3-n3cnnn3)nc2c1 217079230 VNVUAACMIZBULJ-SECBINFHSA-N 337.347 1.061 70 50 EDIA Cc1n[nH]c(C)c1CC(=O)N[C@@H]1COCC[C@H]1OCc1ccccn1 218309528 HUWPSPUCMZHSLF-IAGOWNOFSA-N 344.415 1.455 70 50 EDIA CO[C@@H]1CCN(C(=O)c2cncc(OS(=O)(=O)F)c2)[C@@H](C)C1 1875385352 REXAYAVYKVCRAT-GXSJLCMTSA-N 332.353 1.314 70 50 EDIA O=S(=O)(F)c1ccc(S(=O)(=O)N[C@@H]2CCC[C@H](F)C2)cc1 1776007621 PRMRLKGFEPTGQR-VHSXEESVSA-N 339.385 1.904 70 50 EDIA Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2cc3ccccc3[nH]c2=O)o1 217765413 QMRRFFNBHBPZSI-LLVKDONJSA-N 340.335 1.503 70 50 EDIA biogenic Cn1cc([C@@H](NC(=O)c2cc(C(F)(F)F)n[nH]2)C2CC(O)C2)cn1 218778925 XWNBSAGDEXZOBC-FMDDCXKFSA-N 343.309 1.404 70 50 EDIA CN(C)c1ccccc1C(=O)N1CCC(c2nnc(CO)n2C)CC1 217210138 ROSZITNBBMKCHW-UHFFFAOYSA-N 343.431 1.393 70 50 EDIA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)Cn1c(C)cc(C)nc1=O 218413575 OGZPPIUFKPSHPZ-HZPDHXFCSA-N 349.431 1.117 70 50 EDIA OC[C@@H](O)c1cc2n(n1)CCCN(Cc1cccc3cc[nH]c13)C2 216980839 DZRXSZYMRGLKML-QGZVFWFLSA-N 326.400 1.796 70 50 EDIA Cc1sc2ncn(CC(=O)NCCc3c[nH]cn3)c(=O)c2c1C 218242819 QKBJXIOUXVFODN-UHFFFAOYSA-N 331.401 1.157 70 50 EDIA Cc1ncsc1CCC(=O)N[C@@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1 218116560 NRNSZXFSXWYQSB-AXAPSJFSSA-N 334.445 1.746 70 50 EDIA O=C(c1cc(CO)ccn1)N1CCN(c2ccc(Cl)cn2)CC1 217852735 VPPBOEJTYDPLGT-UHFFFAOYSA-N 332.791 1.585 70 50 EDIA CC(C)c1csc(C(=O)N[C@@H]2CCOC[C@H]2OCCN(C)C)n1 218484935 ZKEAJSBHKDHKPY-TZMCWYRMSA-N 341.477 1.732 70 50 EDIA C[C@@H]1CC[C@@H](O)CN1C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875382543 FWEFBMUZSLRLAD-MWLCHTKSSA-N 332.353 1.657 70 50 EDIA Cc1[nH]c2ccnn2c(=O)c1CCC(=O)N[C@H](CO)c1ccccc1 218530629 IMJYZSSNNRIOMV-OAHLLOKOSA-N 340.383 1.113 70 50 EDIA O=C(c1ccn(C(F)F)n1)N1CCCC[C@H]1CN1CCOCC1 218306715 YIPJZEPCIBUJEO-LBPRGKRZSA-N 328.363 1.605 70 50 EDIA COC[C@@H]1CCCCN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875384165 DECKZCLABQUGBO-NSHDSACASA-N 332.353 1.316 70 50 EDIA CSc1ncccc1C(=O)N[C@@H]1CCCN(c2cnccn2)C1 217207341 IMPNZFUPYFIBEI-GFCCVEGCSA-N 329.429 1.992 70 50 EDIA O=C(CN1CCC(c2ccccc2)CC1)N1CCC[C@@](O)(CO)CC1 217961133 YAIJGRBDPZWRHP-FQEVSTJZSA-N 346.471 1.602 70 50 EDIA COc1ccc(NC2=CC(=O)N(C(C)=O)C2)cc1-c1nnc(C)o1 218469832 CGYSUHMOSGRXKV-UHFFFAOYSA-N 328.328 1.738 70 50 EDIA CN(CC(=O)N1CC(Oc2ccccc2F)C1)Cc1ccncc1 217593201 AASIEBMQYWHMNG-UHFFFAOYSA-N 329.375 1.942 70 50 EDIA CCOc1ccc(C(=O)NCCn2[nH]c(=O)c3ccccc3c2=O)o1 218588700 ITMLKWZOGGTJAY-UHFFFAOYSA-N 343.339 1.112 70 50 EDIA COc1ccc2[nH]c(C(=O)N3CCn4nc(CO)cc4C3)c(C)c2c1 217585519 ZBCHGUXXQTWNQS-UHFFFAOYSA-N 340.383 1.830 70 50 EDIA Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2ccc3nccnc3c2)o1 217831990 FETRFQHOQZJOLM-LLVKDONJSA-N 325.324 1.604 70 50 EDIA biogenic CNC[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 161250191 UJSQILKGBUUISV-AAEUAGOBSA-N 337.370 1.528 70 50 EDIA CN(C)[C@H]1CCN(CC(=O)NCCc2cnn(-c3ccccc3)c2)C1 218711838 AJQJIWLUGHGWHZ-SFHVURJKSA-N 341.459 1.167 70 50 EDIA COc1ccccc1-c1cc(CNC(=O)c2cnc(O)cn2)on1 218626605 TVSSXMCETBOWNM-UHFFFAOYSA-N 326.312 1.776 70 50 EDIA COCCCn1cnnc1CNC(=O)c1ccc2ccccc2n1 218629207 CZLVWVOWAJAWCK-UHFFFAOYSA-N 325.372 1.793 70 50 EDIA CC[C@@H](C)OCC(=O)N1CCC(C(=O)Nc2nncs2)CC1 159474619 BRTRSAHCHOHGAX-SNVBAGLBSA-N 326.422 1.530 70 50 EDIA O=C(N[C@H]1CCNC1)c1ccccc1S(=O)(=O)Cc1ccccc1 218222655 BDRZIUQENRDKIT-HNNXBMFYSA-N 344.436 1.752 70 50 EDIA Cn1cc([C@@H](NC(=O)C2(Cn3cccn3)CC2)[C@H]2C[C@@H](O)C2)cn1 218603685 CAUUOELLRTTYAX-QEJZJMRPSA-N 329.404 1.025 70 50 EDIA Cc1csc(N2CCC(N[C@H]3CCc4nc(C)nn4C3)CC2)n1 160358590 CHZBDKDOMGHKAR-AWEZNQCLSA-N 332.477 1.925 70 50 EDIA CC[C@H](NS(=O)(=O)c1ccc(NC(N)=O)cc1)[C@H]1C[C@H](O)C1 218072421 LPERLUKQMBBHQZ-NDMJEZRESA-N 327.406 1.005 70 50 EDIA Cc1cc(C)n2ncc(CN3CCn4nc([C@H](C)O)cc4C3)c2n1 217003803 ABRPMVBPJRHTHR-ZDUSSCGKSA-N 326.404 1.612 70 50 EDIA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)C1(Cn2cccn2)CC1 218292183 OOTNVIDCYPWOLV-HZPDHXFCSA-N 333.432 1.920 70 50 EDIA CCc1nc(C)ccc1OCC(=O)N1CCC[C@]2(CC1)CNC(=O)O2 217489346 OUASBLAUFFYKOY-SFHVURJKSA-N 347.415 1.822 70 50 EDIA CC[C@@H](C)[C@@H](CO)NC(=O)Cn1cnc2sc(C)c(C)c2c1=O 218353278 HEDSWBSKFDADFW-BXKDBHETSA-N 337.445 1.598 70 50 EDIA CC(C)c1csc(C(=O)N2CCn3nc([C@H](O)CO)cc3C2)n1 217677953 GNYLMVDBRKXZCH-CYBMUJFWSA-N 336.417 1.145 70 50 EDIA O=C(C[C@H]1CN(Cc2ccccc2)CCO1)NCCc1cn[nH]c1 218646509 HNYKVBDHOHAJTQ-KRWDZBQOSA-N 328.416 1.360 70 50 EDIA CCn1cc(C(=O)N[C@H](CO)CCSC)c(=O)c2ccc(C)nc21 218365607 CNLRRONSEZGTDN-LBPRGKRZSA-N 349.456 1.569 70 50 EDIA CCn1nc(C)c(CNC(=O)[C@@H](C)Sc2nc(C)cc(=O)[nH]2)c1C 217024140 AKTCVAQEJSEPKH-GFCCVEGCSA-N 349.460 1.709 70 50 EDIA COc1ccc2ncc(C(=O)NCCN3CCOCC3)c(O)c2c1 218257024 KEJMTKLWVKREQV-UHFFFAOYSA-N 331.372 1.011 70 50 EDIA O=C(Cn1ncc2ccccc21)NCCc1noc(C(F)(F)F)n1 217940501 HWCCLCKAMLFGJD-UHFFFAOYSA-N 339.277 1.797 70 50 EDIA Cc1c(CNC(=O)CCc2ccc(S(=O)(=O)F)cc2)cnn1C 1334448358 MFHAFPQNIXVLPK-UHFFFAOYSA-N 339.392 1.636 70 50 EDIA O=C(N[C@H](CO)Cc1ccccc1)c1ccc(Cn2cnnn2)cc1 218199610 DSSNOJLZEQPILL-KRWDZBQOSA-N 337.383 1.055 70 50 EDIA CC1CCN(Cc2ccc(C(=O)N(C)C[C@@H]3COCCO3)o2)CC1 217812660 WWVHVRCCVYNFAN-MRXNPFEDSA-N 336.432 1.999 70 50 EDIA CC(C)c1cc(C(=O)N2CCCC[C@H]2CN2CCOCC2)nc(N)n1 217795443 CPILRNAZKSLVFZ-AWEZNQCLSA-N 347.463 1.509 70 50 EDIA Cc1cccc(N2CCN(CCC(=O)N(C)Cc3ncc[nH]3)CC2)c1 217754239 OWAYTMSKRMKAFD-UHFFFAOYSA-N 341.459 1.889 70 50 EDIA CN(Cc1ccon1)C(=O)CCCn1nnc(-c2ccc(F)cc2)n1 217002989 XDGKENXJPBAAIK-UHFFFAOYSA-N 344.350 1.906 70 50 EDIA CCn1cnnc1[C@@H]1CCCN([C@@H](C)C(=O)NC[C@@H]2CCCO2)C1 161416162 CDWZQKNIVWNSOR-ZNMIVQPWSA-N 335.452 1.161 70 50 EDIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cc(C)c2nc(N)sc2c1 218053831 YHNFJYOSUITQDN-DRABBMOASA-N 347.440 1.967 70 50 EDIA CC(C)Cc1cc(C(=O)N2CCC(Cn3ccnc3)CC2)nc(=O)[nH]1 217103561 VYYGSCQHACUNNA-UHFFFAOYSA-N 343.431 1.717 70 50 EDIA CC(=O)NCCOc1ccc(C(=O)N(C)CCc2ccncc2)cc1 217695107 YWDPYSYNOPITJJ-UHFFFAOYSA-N 341.411 1.911 70 50 EDIA CN(C)[C@@H]1[C@@H](NC(=O)c2cccc(CCC(C)(C)O)c2)[C@H]2CCO[C@H]21 218216138 DJAOEEZOXJPUOA-XMTFNYHQSA-N 346.471 1.837 70 50 EDIA COc1ccc([C@@H](CC(N)=O)c2c(C)[nH][nH]c2=O)c(OC)c1OC 218293305 QTHZUWXHJDQJHO-SNVBAGLBSA-N 335.360 1.045 70 50 EDIA Cc1nccnc1N[C@@H]1COCC[C@H]1Oc1ccc(C(N)=O)cc1 218419932 OOJCRNBIMJSTEB-HUUCEWRRSA-N 328.372 1.532 70 50 EDIA Cc1nc2c(c(=O)[nH]1)CCN(C(=O)CCc1ccc(F)c(F)c1)CC2 217099275 SSNDCAMXNWUNFR-UHFFFAOYSA-N 347.365 1.917 70 50 EDIA CC[C@@H](O)c1cc2n(n1)CCN(C(=O)Cn1cc(Cl)c(C)n1)C2 217197823 RMVPNGOFRFUYSE-CQSZACIVSA-N 337.811 1.527 70 50 EDIA Cc1c[nH]nc1C1CCN(C(=O)CN(C)Cc2ccccn2)CC1 216986887 DRQAWABTJKNHHX-UHFFFAOYSA-N 327.432 1.951 70 50 EDIA CCc1nccn1CCC(=O)N1CCOc2ccc(CO)cc2C1 217212114 QCYNLOGUTIVPGX-UHFFFAOYSA-N 329.400 1.749 70 50 EDIA C[C@H]1CO[C@H](C)CN1S(=O)(=O)c1ccc(S(=O)(=O)F)cc1 229066251 XCNUPWHBMHNUDN-VHSXEESVSA-N 337.394 1.143 70 50 EDIA Cc1ncsc1CCN(C)C(=O)CC[C@H](C)N1CCN(C)CC1 218524466 NLYXWVRQOKHOSU-AWEZNQCLSA-N 338.521 1.869 70 50 EDIA O=C1CCCN1c1ccc(CN2CCCn3nc(CO)cc3C2)cc1 216923873 QMDOAESCLZYUKF-UHFFFAOYSA-N 340.427 1.908 70 50 EDIA O=S(=O)(N[C@@H]1CCOC[C@H]1O)c1cccc2cccc(Cl)c12 218733586 LJXGGVFEUHPVAU-CHWSQXEVSA-N 341.816 1.921 70 50 EDIA C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCOC[C@H]1[C@@H]1CCCCC1=O 160543655 IGNSLWAADOQWKQ-IHRRRGAJSA-N 338.448 1.524 70 50 EDIA C[C@H](Cn1cncn1)C(=O)N1CCN(c2nc3ccccc3o2)CC1 218210468 SJPSUJWCQKWLCL-CYBMUJFWSA-N 340.387 1.404 70 50 EDIA O=C(NCc1nc(-c2cnccn2)n[nH]1)c1scc2c1OCCO2 217203132 AHGFYWBNTVABLX-UHFFFAOYSA-N 344.356 1.024 70 50 EDIA C[C@H](O)c1cc2n(n1)CCN(CCCOc1ccc(C(N)=O)cc1)C2 216954182 PWVSRLDVAWQNLY-ZDUSSCGKSA-N 344.415 1.320 70 50 EDIA Cc1cc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)n(CCC#N)n1 952884693 JZQHNMMHMOOLTB-UHFFFAOYSA-N 325.325 1.344 70 50 EDIA CC(=O)c1[nH]c(C)c(C(=O)N2CCCO[C@H](Cn3cccn3)C2)c1C 217390838 UKBZEEUMOIMYJL-HNNXBMFYSA-N 344.415 1.962 70 50 EDIA CCO[C@H]1C[C@H](NC(=O)c2cn(C3CCNCC3)nn2)C12CCCC2 159550842 FSAUIMMTSPKNQD-HOTGVXAUSA-N 347.463 1.670 70 50 EDIA C[C@@H]1CN(C(=O)c2cncc(OS(=O)(=O)F)c2)[C@H](C)CCO1 1875385575 WOLKCCJOZPTFOG-NXEZZACHSA-N 332.353 1.314 70 50 EDIA COc1ccc(CCNC(=O)CNc2nc(C)cc(C)n2)cc1OC 218179057 FLBJRWLMWRXNJS-UHFFFAOYSA-N 344.415 1.881 70 50 EDIA CCc1n[nH]c(SCC(=O)NC[C@H]2OCCc3ccccc32)n1 216913279 RVSCJLKEJVEKJG-CYBMUJFWSA-N 332.429 1.889 70 50 EDIA CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCc1ccc2c(c1)CCCO2 218182998 OQVWUWCJHHRYPH-INIZCTEOSA-N 342.399 1.098 70 50 EDIA CN(C)Cc1nnc([C@H]2C[C@@H](NC(=O)c3cncc(F)c3)C2)n1C 218242121 JRQNGZCGFBXGRM-MJHDQNEOSA-N 332.383 1.087 70 50 EDIA O=C(NCCCN1CCOCC1)c1cnc2ccc(F)cc2c1O 218279660 MNWBGFDLBRRJQY-UHFFFAOYSA-N 333.363 1.532 70 50 EDIA O=C(Nc1ccnn1C[C@@H]1CCOC1)N1CCC[C@H]1Cn1ccnc1 159451351 RWFRDKLDIKJXKG-GJZGRUSLSA-N 344.419 1.813 70 50 EDIA Cc1cc(F)ccc1CC(=O)N[C@@H]1CCOC[C@H]1OCCN(C)C 218472178 SQMLRSPFSGDIIQ-IAGOWNOFSA-N 338.423 1.529 70 50 EDIA O=C1CN(CC(=O)N2CCCC[C@@H]2CCc2cccc(O)c2)CCN1 218266916 HKIRZKPZXIDYPL-MRXNPFEDSA-N 345.443 1.138 70 50 EDIA C[C@H]1CSCCCN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875384143 CVWWBEWIORZPPX-VIFPVBQESA-N 334.394 1.642 70 50 EDIA O=S(=O)(F)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 1875368475 TZFFBORNJGQGFW-AWEZNQCLSA-N 342.440 1.130 70 50 EDIA O=C1C[C@@H](C(=O)N2CCSCC2)CN1CCc1ccc(O)cc1 218290035 PZBVZQQJRNHMDI-CQSZACIVSA-N 334.441 1.359 70 50 EDIA CSCC[C@@H](O)C(=O)N1CCC(Cc2noc(C3CC3)n2)CC1 218589265 UUBXPFPUWSMCOP-CYBMUJFWSA-N 339.461 1.842 70 50 EDIA O=C(CCc1cccnc1)NC1CCN(C(=O)N2CCCC2)CC1 218054908 GIJONFIYRYOTPA-UHFFFAOYSA-N 330.432 1.811 70 50 EDIA CC[C@H](NS(=O)(=O)c1ccc(-c2ccn[nH]2)o1)[C@H]1C[C@H](O)C1 218238729 UTXVZXFVZRBIEF-AXFHLTTASA-N 325.390 1.498 70 50 EDIA CC(=O)c1c(C)nn(CC(=O)NCCCn2c(C)cccc2=O)c1C 218554878 NCBBBUPNPSKADJ-UHFFFAOYSA-N 344.415 1.379 70 50 EDIA COc1ccc(C(=O)NCCc2nc(-c3cccnc3)no2)cc1O 217397403 GYIMYLNQHBCTGJ-UHFFFAOYSA-N 340.339 1.818 70 50 EDIA Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2cc3ccccc3[nH]c2=O)o1 217765481 QMRRFFNBHBPZSI-NSHDSACASA-N 340.335 1.503 70 50 EDIA biogenic O=C(CCCn1cccn1)N[C@@H](Cc1ccccn1)[C@H]1C[C@H](O)C1 218096430 OIBSOKSALZPYTP-UAGQMJEPSA-N 328.416 1.557 70 50 EDIA CC[C@@H](O)c1cc2n(n1)CCN(Cc1cnc(N3CCCC3)nc1)C2 217408717 NMZFBVZZQDWUDJ-QGZVFWFLSA-N 342.447 1.733 70 50 EDIA O[C@H]1CN(Cc2cccc3ncccc23)CCN(C2CCNCC2)C1 217872976 OVTHREGCCXRXJB-SFHVURJKSA-N 340.471 1.465 70 50 EDIA COc1cc(C)c(S(=O)(=O)N[C@@H]2CCC(=O)N(C)C2)cc1C 160097498 XHECXZZWRDAXTE-GFCCVEGCSA-N 326.418 1.211 70 50 EDIA O=C(NCCCC(F)(F)F)c1cncc(OS(=O)(=O)F)c1 1875382183 UBORRQWZXBUBCL-UHFFFAOYSA-N 330.259 1.747 70 50 EDIA Cc1ncsc1CCNC(=O)COc1ccc(-n2cnnn2)cc1 217213661 DFWXPESQWUTWAQ-UHFFFAOYSA-N 344.400 1.165 70 50 EDIA CC(C)n1cc(NC(=O)c2cncc(OS(=O)(=O)F)c2)nn1 1875384626 HMVMHEPMGATGRD-UHFFFAOYSA-N 329.313 1.099 70 50 EDIA Cc1ccc2c(c1)CCCN2C(=O)CN1CCn2nc(CO)cc2C1 217534045 VWNPWFUXDFZTHJ-UHFFFAOYSA-N 340.427 1.479 70 50 EDIA O=C(NCc1nc(Cc2ccccc2)no1)c1ccc2[nH]nnc2c1 218128875 IRKXIZNUQQTQHA-UHFFFAOYSA-N 334.339 1.862 70 50 EDIA CC(C)Cc1nc(NC(=O)[C@@H](C)n2cnc3ccccc3c2=O)n[nH]1 218455225 NRIONVXUNLGRCV-LLVKDONJSA-N 340.387 1.913 70 50 EDIA O=C(CCc1nc2ccccc2[nH]1)NCc1nnnn1-c1ccccc1 217198040 WZXVZJBUPFYNRY-UHFFFAOYSA-N 347.382 1.788 70 50 EDIA CSc1ccc(CC(=O)N2CCN(CCn3cncn3)CC2)cc1 218331328 GQGGKPOUGALORM-UHFFFAOYSA-N 345.472 1.387 70 50 EDIA Cc1ccoc1CN(CCS(=O)(=O)F)[C@@H](C)Cn1cccn1 1875382431 ARQYNACSAHEJLG-ZDUSSCGKSA-N 329.397 1.975 70 50 EDIA CN1CCc2[nH]nc(C(=O)N[C@@H](c3ccccn3)[C@H]3C[C@@H](O)C3)c2C1 218606183 PDRBZIPDVCQELF-XHBSWPGZSA-N 341.415 1.035 70 50 EDIA Cc1cc(N)n(CC(=O)N(C)C[C@@H]2Cc3ccccc3CN2C)n1 217140368 WLTVPRQVGKXPFK-INIZCTEOSA-N 327.432 1.289 70 50 EDIA Cn1nc(C(N)=O)c2c1CCN(C(=O)CCCOc1ccccc1)C2 218029112 XKCGVDCWRRGLES-UHFFFAOYSA-N 342.399 1.263 70 50 EDIA COC[C@H]1[C@@H](NC(=O)c2c[nH]c3c(C)cccc3c2=O)[C@@H]2CCO[C@@H]21 218735233 RMZZUIRKVLAGFG-GKEYINFOSA-N 342.395 1.616 70 50 EDIA CC[C@H](O)c1cc2n(n1)CCN(C(=O)CCc1nc(Cl)n[nH]1)C2 217800959 RRKGSFFLKFRGRI-NSHDSACASA-N 338.799 1.073 70 50 EDIA CC[C@H](O)c1cc2n(n1)CCN(Cc1cnc(N3CCCC3)nc1)C2 217408804 NMZFBVZZQDWUDJ-KRWDZBQOSA-N 342.447 1.733 70 50 EDIA CC(C)Cc1nc(NC(=O)Cn2cnc3ccsc3c2=O)n[nH]1 218372192 HZQWDEBVVYDHCH-UHFFFAOYSA-N 332.389 1.413 70 50 EDIA COC(=O)C[C@@H](C)CC(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875385325 QXDJFEOCXKQODM-VIFPVBQESA-N 333.337 1.808 70 50 EDIA Cc1ccc(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCCN(C)C)s1 218428583 CAQJBYKYPFPIQS-CHWSQXEVSA-N 348.490 1.071 70 50 EDIA CC(=O)N1CCN(C(=O)[C@@H](C)n2nc(C3CC3)nc2C2CC2)CC1 161479604 ORJHHRMVQZDVBR-LLVKDONJSA-N 331.420 1.285 70 50 EDIA Cc1ccc2c(c1)C[C@@H](C(=O)N1CCN(C(=O)c3ccc[nH]3)CC1)N2 218347879 JNFZDJOIPBNYOK-KRWDZBQOSA-N 338.411 1.644 70 50 EDIA CCCc1cc(CN(C)C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)n[nH]1 217181977 OTZMJEPRMWWODO-UHFFFAOYSA-N 341.371 1.164 70 50 EDIA COc1ccc(C(=O)NCCc2ccncc2)cc1N1CCOCC1 217404618 DTWJWBRATWCIDU-UHFFFAOYSA-N 341.411 1.899 70 50 EDIA CN1CCCNC(=O)C12CCN(C(=O)c1ccc(Cl)s1)CC2 217706227 FYNCYDVKDFIMPN-UHFFFAOYSA-N 341.864 1.828 70 50 EDIA CCS(=O)(=O)C[C@H](C)NC(=O)N1CCC[C@H](N2CCCC2)CC1 159906814 GTMXJTUMYNTENV-GJZGRUSLSA-N 345.509 1.470 70 50 EDIA C[S@](=O)C1(CNC(=O)c2cccc(S(=O)(=O)F)c2)CCC1 952884943 UCWFXLJQAYIRAC-FQEVSTJZSA-N 333.406 1.376 70 50 EDIA O=C(COCc1cccnc1)Nc1cncc(OS(=O)(=O)F)c1 1875387774 WRJSQOJNAAQQIS-UHFFFAOYSA-N 341.320 1.225 70 50 EDIA CCn1c(CCNC(=O)CCn2nnnc2C)nc2ccccc21 218520515 QTDBABSGHCURKQ-UHFFFAOYSA-N 327.392 1.100 70 50 EDIA O=C(N[C@H]1C[C@@H](c2nnc(CO)n2C2CC2)C1)c1ncoc1C1CC1 218089846 NPPXBFFXYLTSSJ-XYPYZODXSA-N 343.387 1.647 70 50 EDIA COC(=O)C[C@H](c1c(O)c2ccccc2oc1=O)c1ccnn1C 218133836 OEHFVCOBMXHOTA-NSHDSACASA-N 328.324 1.927 70 50 EDIA O=C(COc1cccnc1)NC[C@H]1CCCN(c2ncccn2)C1 218467854 YZHGZAMGHKOWAA-CQSZACIVSA-N 327.388 1.283 70 50 EDIA O=C(N[C@@H]1CCOC[C@H]1OCc1ccccn1)c1ccncc1F 218061942 SCZZUZMYCYQQLH-HZPDHXFCSA-N 331.347 1.720 70 50 EDIA CNC(=O)c1cccc(CNC(=O)COCC(F)(F)C(F)F)c1 218092967 OAWRPBZKFDXKNQ-UHFFFAOYSA-N 336.285 1.579 70 50 EDIA CC(=O)N[C@@H]1[C@@H](NC(=O)Cc2c(C)[nH]c3ccccc23)[C@H]2CCO[C@H]21 218346158 CUZFCMIAVSGJIL-VUKOWNLVSA-N 341.411 1.427 70 50 EDIA CC(C)Cc1cc(C(=O)NCCCc2csc(N)n2)nc(=O)[nH]1 217591199 RMOQBKABLRULNI-UHFFFAOYSA-N 335.433 1.370 70 50 EDIA O=C1Nc2cc(Cl)c(S(=O)(=O)Cl)cc2S(=O)(=O)N1 101360458 PNZGHJAZILJNJA-UHFFFAOYSA-N 331.158 1.091 70 50 EDIA Cc1cc(N)n(CC(=O)NCc2cccc(CN3CCCC3)c2)n1 217192184 RWGKAPWBHXMVKN-UHFFFAOYSA-N 327.432 1.686 70 50 EDIA O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1ccc(O)cc1 218378207 LWXQPRTZTRJCQB-HUUCEWRRSA-N 334.397 1.953 70 50 EDIA OC[C@H](O)c1cc2n(n1)CCCN(Cc1nc3c(s1)CCCC3)C2 217015119 XLCYHEUNYTXRHX-HNNXBMFYSA-N 348.472 1.650 70 50 EDIA CCCN1C(=O)N[C@@H](CC(=O)NCc2ccc3c(c2)CCCO3)C1=O 218129226 WRXPDZJCQCLXON-AWEZNQCLSA-N 345.399 1.348 70 50 EDIA O=C(N[C@H]1C[C@@H](c2cc(N3CC[C@@H](O)C3)ncn2)C1)c1ccoc1 218609497 MVIKXUJZKOCZQJ-MGPQQGTHSA-N 328.372 1.317 70 50 EDIA O=C1C[C@H](C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)CCN1 159556989 HZALZYFRPNARJD-CQSZACIVSA-N 349.862 1.947 70 50 EDIA CN(Cc1cnccn1)C(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 217412243 LIZOYKDYISUAQN-JKSUJKDBSA-N 330.432 1.864 70 50 EDIA CN1CCN(C)[C@@H](CNc2ncnc3c2Cc2ccccc2OC3)C1 217348250 VGVAEOXTTDUOSD-HNNXBMFYSA-N 339.443 1.618 70 50 EDIA COc1cc(C(=O)N2C[C@H](c3ccc(C)o3)[C@@H](NC(C)=O)C2)ccn1 216960259 IVEHYDRKVOVGMX-GJZGRUSLSA-N 343.383 1.736 70 50 EDIA C[C@H](O)c1cc2n(n1)CCCN(C(=O)Cn1nc3ccccc3n1)C2 217122389 BKXDKIVRQCZWMX-LBPRGKRZSA-N 340.387 1.114 70 50 EDIA CC[C@H](Cn1ccnc1)NC(=O)CCS(=O)(=O)c1ccc(C)cc1 218719795 UUAODJFULXNDQV-OAHLLOKOSA-N 349.456 1.950 70 50 EDIA O=S(=O)(F)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 1875368476 TZFFBORNJGQGFW-CQSZACIVSA-N 342.440 1.130 70 50 EDIA CN(C)C(=O)CN1CCCN(C[C@@]2(c3ccccc3)CCOC2)CC1 216912499 HPHQWCPZBMAFOD-FQEVSTJZSA-N 345.487 1.441 70 50 EDIA COCc1ccc(C(=O)N[C@@H](Cc2ccncc2)[C@H]2C[C@H](O)C2)o1 218292776 VZHAOWJHJGCUSZ-LZWOXQAQSA-N 330.384 1.933 70 50 EDIA CCc1nc(CCNC(=O)Cc2nc3nc(C)cc(C)n3n2)cs1 218618511 IYOAEBFNZUKGQY-UHFFFAOYSA-N 344.444 1.661 70 50 EDIA CS(=O)(=O)NC1CCN(C(=O)[C@H]2CCc3ccccc3C2)CC1 218297156 RPYVSHHNSQVYEJ-HNNXBMFYSA-N 336.457 1.332 70 50 EDIA COC(=O)C[C@H](c1ccccc1)c1c(O)c(C(=O)OC)c[nH]c1=O 218101313 NSEGJSYCSNIOHK-LLVKDONJSA-N 331.324 1.562 70 50 EDIA biogenic Cc1cccc(=O)n1CCCNC(=O)Cn1c(=O)oc2ccccc21 217031108 LUIWGYJVXNWDRH-UHFFFAOYSA-N 341.367 1.271 70 50 EDIA CN(Cc1nc2ccccc2n1C)C(=O)CN1CC[C@H](N(C)C)C1 218693751 FDDNDQBMYNDCDI-AWEZNQCLSA-N 329.448 1.168 70 50 EDIA O=S(=O)(NC[C@H](O)COc1ccc(F)c(F)c1)c1ccccc1 161273699 IENQRBPJNUHWGI-NSHDSACASA-N 343.351 1.683 70 50 EDIA C#CCN(C(=O)Nc1ccc(OS(=O)(=O)F)cc1)[C@H]1CCOC1 1875388025 KBFMRGQERBMZTO-LBPRGKRZSA-N 342.348 1.536 70 50 EDIA Cc1cc(=O)cc(C(=O)N(C)Cc2nc(-c3ccncc3)no2)o1 218511713 XXOFBAHAHLEIAI-UHFFFAOYSA-N 326.312 1.665 70 50 EDIA Cc1nnc(CN2CCn3nc([C@@H](O)c4ccccc4)cc3C2)o1 217024575 FVVBCCNSNQNWSY-KRWDZBQOSA-N 325.372 1.672 70 50 EDIA O=C(CCCn1cncn1)N1CCCN(Cc2ccncc2)CC1 218098140 HVTSJFZJIPTWAV-UHFFFAOYSA-N 328.420 1.188 70 50 EDIA Cc1nc(CCC(=O)N2C[C@@H]3CC[C@H]2CN(C2CCOCC2)C3)n[nH]1 216984931 CENJUFQBBWNWGU-ZBFHGGJFSA-N 347.463 1.148 70 50 EDIA Cn1cc(N2CCC[C@@H](N3CCO[C@H](c4nccs4)C3)C2=O)cn1 160116550 UXMMNRKIFORHQR-KGLIPLIRSA-N 347.444 1.446 70 50 EDIA Cc1ccoc1CN(CCS(=O)(=O)F)[C@H](C)Cn1cccn1 1875382430 ARQYNACSAHEJLG-CYBMUJFWSA-N 329.397 1.975 70 50 EDIA CC[C@H](O)c1cc2n(n1)CCN(C(=O)c1ccc3nc(C)cn3c1)C2 218094492 GKEYEQUWKHBIIY-INIZCTEOSA-N 339.399 1.939 70 50 EDIA O=C(Nc1cccc(-c2cnn[nH]2)c1)c1cc(S(=O)(=O)F)c[nH]1 2325885110 WCONTVDNBPBMOH-UHFFFAOYSA-N 335.320 1.710 70 50 EDIA CC(=O)c1c(C)nn(CC(=O)N2CCC[C@@H](c3ccncn3)C2)c1C 218747894 IBDWEJGJKDMMIF-OAHLLOKOSA-N 341.415 1.899 70 50 EDIA O=C(CCC1=NNC(=O)CC1)NCc1cnn(-c2ccc(F)cc2)c1 217194070 CMNZIYKXMTYFPT-UHFFFAOYSA-N 343.362 1.674 70 50 EDIA CN(C)[C@@H]1CCN(CC(=O)NCCc2cnn(-c3ccccc3)c2)C1 218711767 AJQJIWLUGHGWHZ-GOSISDBHSA-N 341.459 1.167 70 50 EDIA Cc1ccnc(N(C)C(=O)c2cncc(OS(=O)(=O)F)c2)n1 1875384583 GPJPDGONRSTTRS-UHFFFAOYSA-N 326.309 1.050 70 50 EDIA O=C(COc1ncnc2ccccc12)N1CCC(n2cnnc2)CC1 217727526 OCQWKISJAMUQOE-UHFFFAOYSA-N 338.371 1.464 70 50 EDIA Cc1cnccc1NCCNC(=O)c1nn(C)c(=O)c2ccccc12 218033287 YARKWRHGODVFHL-UHFFFAOYSA-N 337.383 1.479 70 50 EDIA CN(C(=O)c1cc(N2CCNC2=O)ccc1F)C1CCC(N)CC1 161505359 BBTNNKZNLVIESU-UHFFFAOYSA-N 334.395 1.697 70 50 EDIA O=C(Cn1ncc2ccccc21)NCCc1noc([C@H]2CCCO2)n1 217370427 OKVCIQNUGPAHAR-CQSZACIVSA-N 341.371 1.630 70 50 EDIA CN(C(=O)c1cncc(OS(=O)(=O)F)c1)c1ncccc1F 1875384616 HFYAMBSAGWMHQB-UHFFFAOYSA-N 329.284 1.485 70 50 EDIA Cc1csc(S(=O)(=O)N[C@@H](c2cnn(C)c2)C2CC(O)C2)c1 218154547 RJBOZFKEILKWEE-MMWSSPAHSA-N 341.458 1.581 70 50 EDIA Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)n1 218269352 KBFZJZGLEJGEPH-KRWDZBQOSA-N 340.427 1.975 70 50 EDIA Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1cc2ccccc2nc1N(C)C 218181687 YALIVWJIOMWJQU-GFCCVEGCSA-N 339.399 1.633 70 50 EDIA COCCCn1c(C)cc(C)c(C(=O)NCCn2ccnc2)c1=O 218441584 NPBUFRNPYAOKGF-UHFFFAOYSA-N 332.404 1.128 70 50 EDIA O=C(N[C@@H]1COCC[C@@H]1OCc1ccccn1)c1n[nH]c2c1CCC2 218169140 CWMIMKVPDZWREN-CVEARBPZSA-N 342.399 1.398 70 50 EDIA O=C(CCc1cnccn1)N[C@@H]1COCC[C@H]1Oc1ccccn1 218611958 QKAJWYBRPHNZIP-HUUCEWRRSA-N 328.372 1.157 70 50 EDIA Cn1cc([C@@H](NC(=O)Cn2cnc3ccccc32)[C@H]2C[C@H](O)C2)cn1 218035983 ANFMGACYBAFJFN-WRSAYESZSA-N 339.399 1.398 70 50 EDIA O=C1CC[C@@H]2CN(C3CCOCC3)CC[C@@H]2N1CC1CCNCC1 216855324 CVKBFWSUBNSFAQ-AEFFLSMTSA-N 335.492 1.478 70 50 EDIA CC(C)Cc1cc(C(=O)N(C)[C@@H](C)Cc2cnccn2)nc(=O)[nH]1 218339903 ADHWUZHMQYYPKE-LBPRGKRZSA-N 329.404 1.462 70 50 EDIA Cc1nn(C)c(C)c1S(=O)(=O)NC(=O)[C@H]1OCCc2ccccc21 160029865 RJUROCHLTPKWKS-AWEZNQCLSA-N 349.412 1.156 70 50 EDIA C[C@@H](O)c1cc2n(n1)CCCN(C(=O)COCc1ccccc1)C2 217545799 LIWFKZWFRPARLR-CQSZACIVSA-N 329.400 1.886 70 50 EDIA Cc1oc2nc[nH]c(=O)c2c1C(=O)NCCNC1CCCCCC1 159648885 GUDIZXWKZUAAOM-UHFFFAOYSA-N 332.404 1.867 70 50 EDIA O=C(CN1CCc2ccccc2C1)NCc1nc(-c2ccncc2)n[nH]1 218643687 CMCAZXFXTCUVSE-UHFFFAOYSA-N 348.410 1.541 70 50 EDIA CSCc1ccc(C(=O)N2CCCN(CC(=O)N(C)C)CC2)o1 217495892 XIZCXYODVGSYTF-UHFFFAOYSA-N 339.461 1.379 70 50 EDIA O=C(c1ccc(Cn2cccn2)o1)N1CCCn2nc(CO)cc2C1 217837662 GSQFDBMGDZQSFT-UHFFFAOYSA-N 341.371 1.259 70 50 EDIA Cc1cnc(CNC(=O)c2cc(CC(C)C)[nH]c(=O)n2)c(C)c1O 218109301 VQQNBKLEKRILDD-UHFFFAOYSA-N 330.388 1.616 70 50 EDIA C[C@H](Cn1cccn1)C(=O)NCCc1noc(-c2ccccc2)n1 217180642 QFMHJSMARSVMNT-CYBMUJFWSA-N 325.372 1.928 70 50 EDIA CN(CC(C)(C)CN1CCOCC1)S(=O)(=O)c1cccnc1 159461636 HYIKCZNLXYMCIX-UHFFFAOYSA-N 327.450 1.061 70 50 EDIA O=S(=O)(F)N1CCC(Nc2ncc(Br)cn2)CC1 1875373558 GAOOXACKROGVJM-UHFFFAOYSA-N 339.190 1.330 70 50 EDIA O=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1ccc(CO)o1 218653866 REIDGIYFQSCQNW-NVXWUHKLSA-N 331.368 1.876 70 50 EDIA Cc1[nH]c2ccccc2c1CC(=O)NCc1nc(-c2cnccn2)n[nH]1 217580758 KDFWMZDQYDEUGH-UHFFFAOYSA-N 347.382 1.910 70 50 EDIA COCCn1cnnc1CCNC(=O)c1ccc2ncccc2c1 218117094 WWGIOWNAOKHEPA-UHFFFAOYSA-N 325.372 1.445 70 50 EDIA CC(C)c1cc([C@@H]2CCCN2C(=O)c2c[nH]nc2-n2cnnn2)no1 218295816 RYFGVPPQIVPYCS-LBPRGKRZSA-N 342.363 1.474 70 50 EDIA Cc1c(CNC(=O)NCC(=O)N2CCCc3ccccc32)cnn1C 160554052 MMQRLYXJNCHRHS-UHFFFAOYSA-N 341.415 1.507 70 50 EDIA CN(CC(=O)N1CCC[C@@H](c2ccncn2)C1)Cc1cccnc1 217133004 KXNKMSAUEJTARR-MRXNPFEDSA-N 325.416 1.710 70 50 EDIA Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)c2ccncc2F)cn1 218454890 INDPIRBZBNTKNC-CVEARBPZSA-N 331.347 1.890 70 50 EDIA CN(Cc1nccs1)C(=O)[C@H]1Cc2ccccc2S(=O)(=O)N1 217798189 GQDSZAZBPSDQAM-LLVKDONJSA-N 337.426 1.005 70 50 EDIA CN(C)c1ccc(C(=O)N2CCC(N3CCNC3=O)CC2)c(F)c1 159724456 YEPRNELOHFAOHU-UHFFFAOYSA-N 334.395 1.522 70 50 EDIA Cn1c([C@H]2CCCN(C(=O)CN3CCOC3=O)C2)nc2ccccc21 217718404 GJVRDPSHPRUCKC-ZDUSSCGKSA-N 342.399 1.732 70 50 EDIA NC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]1CCOC2(CCCC2)C1 159376806 YMQXLYQBEOLKQX-JKSUJKDBSA-N 345.443 1.874 70 50 EDIA Cc1ccc(CN(C)CC(=O)N2CCn3nc(CO)cc3C2)cc1 217583668 NKEZYWTWOKYYDW-UHFFFAOYSA-N 328.416 1.158 70 50 EDIA CC(=O)NCCNC(=O)CCC(=O)N1CCc2c(Cl)cccc21 161456585 VSASYCGBMTWTFN-UHFFFAOYSA-N 337.807 1.262 70 50 EDIA CCCN1C(=O)N[C@@H](CC(=O)NCc2ccc3ccccc3n2)C1=O 217756203 OCIOIHQOXCDHGC-HNNXBMFYSA-N 340.383 1.572 70 50 EDIA O=C(COc1ncnc2ccccc12)NCCCn1ccccc1=O 217099500 XXKXVCVSWLUNHB-UHFFFAOYSA-N 338.367 1.377 70 50 EDIA CN(C)C[C@@H](O)c1cc2n(n1)CCCN(CCc1ccccc1)C2 218048542 FALAMRXLFDEKFT-LJQANCHMSA-N 328.460 1.927 70 50 EDIA COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)COCc1ccccc1)C2 216919178 VOUAAEUNHPVQJJ-SJORKVTESA-N 346.427 1.299 70 50 EDIA CN(C)[C@@H]1[C@@H](NC(=O)c2cccc(Cn3cccn3)c2)[C@H]2CCO[C@H]21 218737634 JSVYSAXBRTVYQH-XMTFNYHQSA-N 340.427 1.379 70 50 EDIA COc1cc2c(cc1OC)-c1[nH]nc(C(=O)N[C@H](CO)C(C)C)c1C2 218470735 KTZFDNIMEAKAKX-CYBMUJFWSA-N 345.399 1.745 70 50 EDIA Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 217619761 CCWWUVJNRDCTSL-ZETCQYMHSA-N 327.344 1.047 70 50 EDIA Cc1c(Cl)c(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N2CCCC2)nn1C 218230186 OAASOVZVIIXVMZ-DZGBDDFRSA-N 338.839 1.363 70 50 EDIA CNC[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 161250019 UJSQILKGBUUISV-YPMHNXCESA-N 337.370 1.528 70 50 EDIA O=S(=O)(F)c1ccc(S(=O)(=O)N[C@@H]2CC[C@H](F)C2)cc1 1776007683 UAERTDSYQISFSF-DTWKUNHWSA-N 325.358 1.514 70 50 EDIA Cc1cc(=O)c2ccccc2n1CC(=O)NCCN1CCCC1=O 218291036 QHABPXIZNSPZAA-UHFFFAOYSA-N 327.384 1.049 70 50 EDIA O=C(c1ccccc1N1CCCC1)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 216999451 ZSIWKHGNQHCHHN-PURYLZLUSA-N 330.428 1.491 70 50 EDIA O=C1CN(C(=O)c2ccncc2O)CCN1Cc1ccc(F)cc1 217791669 IEQBTILMGUJYBL-UHFFFAOYSA-N 329.331 1.411 70 50 EDIA COCc1n[nH]c(-c2cccc(NC3=CC(=O)N(C(C)=O)C3)c2)n1 218572072 JANQZUQVDBFTGA-UHFFFAOYSA-N 327.344 1.303 70 50 EDIA O=C(CNC(=O)NC1CCCCC1)N[C@H]1c2ccccc2C[C@@H]1O 159775894 LKMXHELCRXQGOK-RDJZCZTQSA-N 331.416 1.393 70 50 EDIA COc1ccccc1C(=O)NCC(=O)N[C@@H]1COc2ccc(C)cc21 160200484 ZINWYWJVFZYQSJ-OAHLLOKOSA-N 340.379 1.983 70 50 EDIA Cc1cccc2nc(C(=O)N[C@@H](c3cnn(C)c3)C3CC(O)C3)cn12 218539254 AQSSVKKCAUSXHA-MKTAYPAQSA-N 339.399 1.618 70 50 EDIA O=C(Cc1cnccn1)N1CCN(c2nc3ccccc3s2)CC1 217205496 IUJMKILJXKPLCV-UHFFFAOYSA-N 339.424 1.978 70 50 EDIA C=Cn1cc(CN(CCS(=O)(=O)F)c2cnn(CC)c2)cn1 1875382758 PFMRYBBMSLEDAQ-UHFFFAOYSA-N 327.385 1.506 70 50 EDIA Cn1nccc1[C@H](O)c1cc2n(n1)CCN(CCc1ccccc1)C2 218486957 RTAMSSFOLPYHTG-LJQANCHMSA-N 337.427 1.757 70 50 EDIA O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)NCCc1cn[nH]c1 218646426 HNYKVBDHOHAJTQ-QGZVFWFLSA-N 328.416 1.360 70 50 EDIA Cc1cn2cc(C(=O)N3CCCn4nc(CO)cc4C3)ccc2n1 217572672 KTOGONCZAMXRLG-UHFFFAOYSA-N 325.372 1.378 70 50 EDIA COC(=O)c1sccc1Nc1c(N2CCSCC2)c(=O)c1=O 218346425 NWCZSLFMCIVCIN-UHFFFAOYSA-N 338.410 1.428 70 50 EDIA O=C(CCn1cnc2ccccc2c1=O)NCc1cnn2cccnc12 217026858 UAPQJTMGAGLNPS-UHFFFAOYSA-N 348.366 1.146 70 50 EDIA C[C@H](O)c1cc2n(n1)CCCN(C(=O)C1(Cn3ccnc3)CC1)C2 217541567 SJICWFARHATJMY-ZDUSSCGKSA-N 329.404 1.346 70 50 EDIA Cc1[nH]c2c(C(=O)N[C@@H]3CCOC[C@H]3OCCO)cccc2c1C 218634645 AFYUFPFYFMWXOO-HZPDHXFCSA-N 332.400 1.681 70 50 EDIA O=S(=O)(F)c1ccc(S(=O)(=O)N[C@H]2CC[C@H](F)C2)cc1 1776007684 UAERTDSYQISFSF-IUCAKERBSA-N 325.358 1.514 70 50 EDIA CN(C(=O)[C@@H]1CSCN1)[C@H]1CCN(c2ccccc2Cl)C1=O 159744414 SQAQYZMUQGVMFH-AAEUAGOBSA-N 339.848 1.566 70 50 EDIA CC(C)N1C(=O)C(=O)N(Cc2cccc(S(=O)(=O)F)c2)C1=O 1875381547 YJAOGMDUFIOUGD-UHFFFAOYSA-N 328.321 1.044 70 50 EDIA Cc1cc(C)cc(CN2CCN(C(=O)c3cccc(=O)[nH]3)CC2=O)c1 217175050 UKZPYIIDQRORFV-UHFFFAOYSA-N 339.395 1.476 70 50 EDIA O=C(CCc1ccc(S(=O)(=O)F)cc1)N[C@@H]1CCCCNC1=O 952994179 WENCXWBDSSVNTO-CYBMUJFWSA-N 342.392 1.062 70 50 EDIA C[C@H](O)c1cc2n(n1)CCCN(C(=O)COCc1ccccc1)C2 217545892 LIWFKZWFRPARLR-AWEZNQCLSA-N 329.400 1.886 70 50 EDIA Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)NCCn1cccn1 218464428 DDJATNZCPGHJAY-HNNXBMFYSA-N 344.415 1.271 70 50 EDIA COc1ccccc1N1CCN(C(=O)Cc2nonc2C)[C@H](C)C1 217086060 ORCCHQMWIQTSMM-GFCCVEGCSA-N 330.388 1.666 70 50 EDIA Cc1ncsc1CCN(C)C(=O)CC[C@@H](C)N1CCN(C)CC1 218524373 NLYXWVRQOKHOSU-CQSZACIVSA-N 338.521 1.869 70 50 EDIA CN(CCN1CCC2(CC1)NC(=O)N(C)C2=O)Cc1ccc(F)cc1 161202668 RWEPAJKURSAKGR-UHFFFAOYSA-N 348.422 1.274 70 50 EDIA C[C@H](NC(=O)CCNC(=O)c1cnccn1)c1nc2ccccc2[nH]1 218483759 NAKYSHAAUSBELK-NSHDSACASA-N 338.371 1.350 70 50 EDIA O=C1N[C@H]2CCC[C@@H]1CN(C(=O)CCc1nc3ccccc3[nH]1)C2 217047489 UCLQPEUDLCSMPM-OLZOCXBDSA-N 326.400 1.623 70 50 EDIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccc(-n2cccn2)cc1 218423734 JYDGMLCXGPDWDY-HZMVEIRTSA-N 327.384 1.652 70 50 EDIA O=S(=O)(F)CCN(Cc1ccccc1)[C@H](CCO)C(F)F 1875382951 YVYWABBAIJEESV-GFCCVEGCSA-N 325.352 1.804 70 50 EDIA O=C(COc1cccnc1)N1CCCC[C@H]1CCN1CCOCC1 218554218 WWUVTEPUMJZUTA-INIZCTEOSA-N 333.432 1.564 70 50 EDIA Cc1nn(-c2ccccn2)c(C)c1[C@H](CC(N)=O)c1c(C)[nH][nH]c1=O 218178250 IGXYHQLDTLSAPN-LBPRGKRZSA-N 340.387 1.216 70 50 EDIA COCCNc1nc2cc(C(=O)N(C)Cc3cc[nH]n3)ccc2n1C 217101419 HWCNLRYJNHUPHV-UHFFFAOYSA-N 342.403 1.627 70 50 EDIA Cc1cc(NC(=O)N[C@H]2c3ccccc3C[C@@H]2O)ccc1C(N)=O 159678864 LRXCJEHRIGXERI-HOTGVXAUSA-N 325.368 1.874 70 50 EDIA COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CCc1c(C)noc1C)C2 216795975 PNPAHZCZDPRMKB-CABCVRRESA-N 349.431 1.320 70 50 EDIA Cc1cc(N)n(CC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)n1 217579152 BZMLJRUKJVFHEO-LBPRGKRZSA-N 325.376 1.232 70 50 EDIA C[C@H](O)c1cc2n(n1)CCN(CCS(=O)(=O)c1ccccc1)C2 217089146 VLMFWXGPZVGKRK-ZDUSSCGKSA-N 335.429 1.226 70 50 EDIA CN1C[C@]2(CCCN(C(=O)CCc3nc4ccccc4[nH]3)C2)OC1=O 217479174 OVVPPFZQFJWONM-SFHVURJKSA-N 342.399 1.939 70 50 EDIA Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N1CCNC(=O)C1)O2 217923838 AECMHKSQFJWDNV-GOSISDBHSA-N 332.400 1.360 70 50 EDIA CN1C[C@@]2(CCN(C(=O)CC3=CSC4=NCCCN34)C2)OC1=O 217667249 OHYOLLWEKAELHQ-OAHLLOKOSA-N 336.417 1.080 70 50 EDIA CN1C[C@H](CNC(=O)CCSCc2ccc(F)cc2)OCC1=O 218595864 UYCHZGZYONENFE-AWEZNQCLSA-N 340.420 1.422 70 50 EDIA Cc1cc(C[C@H](C)NC(=O)Nc2cnn(-c3ncccn3)c2)n[nH]1 161100281 UGQCXWHJIUIKEB-JTQLQIEISA-N 326.364 1.447 70 50 EDIA CC1(C)COCCCN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875381823 IRWCGFAEWPABRT-UHFFFAOYSA-N 332.353 1.316 70 50 EDIA CCc1nccn1CCC(=O)N1CCCO[C@@H](Cn2cccn2)C1 217536932 YPHPKGLAGWGNID-OAHLLOKOSA-N 331.420 1.350 70 50 EDIA COCC[C@H]1CN(C(=O)CN2CCOc3ccccc3C2)CCO1 218664371 MSTHPCBIMBDQHV-INIZCTEOSA-N 334.416 1.145 70 50 EDIA COc1cccc([C@H]2CCN(C(=O)Cn3ccc(=O)cc3)C2)c1OC 218773747 IUAWWKMYLMLRAL-AWEZNQCLSA-N 342.395 1.882 70 50 EDIA CN(C(=O)[C@H]1CSCN1)[C@@H]1CCN(c2ccccc2Cl)C1=O 159744541 SQAQYZMUQGVMFH-DGCLKSJQSA-N 339.848 1.566 70 50 EDIA O=C(CCn1ccc(=O)[nH]c1=O)N1CCc2c(Cl)cccc2C1 217047599 QLNXNRHLVYAPCK-UHFFFAOYSA-N 333.775 1.165 70 50 EDIA O=C1N[C@@]2(C(=O)Nc3ccc(O)cc3)CCC(=O)N2c2ccccc21 217989081 ORDQAFKFXHHNAC-SFHVURJKSA-N 337.335 1.597 70 50 EDIA biogenic CN(C)[C@@H]1[C@@H](NC(=O)c2cc(=O)c3cccc(F)c3[nH]2)[C@H]2CCO[C@H]21 218376500 BFYHCIOTCXBOJB-ITDAGMBRSA-N 345.374 1.115 70 50 EDIA Cc1cc(N2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)ccn1 218162269 LKWFTGGERGZJQV-SFHVURJKSA-N 338.415 1.812 70 50 EDIA Cc1cc(C[C@@H](C)NC(=O)Nc2ccnn2C[C@@H]2CCOC2)n[nH]1 159598138 YYEHRCISXRPLME-YPMHNXCESA-N 332.408 1.704 70 50 EDIA CN(Cc1n[nH]c2c1CCCCC2)c1cc(C2CC(N)C2)nc(N)n1 218266198 MYTFKALVSQSWCI-UHFFFAOYSA-N 341.463 1.892 70 50 EDIA Cc1nn2cc(CNC(=O)Cc3ccc4c(c3)OCO4)nc2s1 218139580 KJNUXDKQCDGXSK-UHFFFAOYSA-N 330.369 1.687 70 50 EDIA COC(=O)[C@@H](NC(=O)Cn1ccc2c(NC(C)=O)cccc21)C(C)C 217842869 KBRKUODXQGSCLK-KRWDZBQOSA-N 345.399 1.914 70 50 EDIA biogenic Cc1cc(C(=O)N[C@@H]2COCC[C@H]2OCc2ccccn2)nc(C)n1 218709300 AXYFEWYXHBEHRB-IAGOWNOFSA-N 342.399 1.593 70 50 EDIA CN(CC(=O)N1CCC[C@]2(CC1)CNC(=O)O2)Cc1cccnc1 217339157 WWUWUICMEHQUBM-KRWDZBQOSA-N 332.404 1.005 70 50 EDIA COc1ccc2c(c1)C[C@H](C(=O)NCCc1nnc(C)s1)CO2 217544077 HWRFSGTWHFEZTR-LBPRGKRZSA-N 333.413 1.765 70 50 EDIA O=C(N[C@H]1COC[C@@H]1N1CCOCC1)c1ccc(-c2ccco2)cc1 218470030 JVZKCUZTWSUEQJ-IRXDYDNUSA-N 342.395 1.776 70 50 EDIA Cc1nn2cnnc2c(C)c1CCC(=O)N[C@H](CO)c1ccccc1 218450069 JUDCKAAOKXWRRQ-MRXNPFEDSA-N 339.399 1.524 70 50 EDIA O=C(CN1CC[C@H](c2ccccc2)C1)NCc1cnn2cccnc12 217175030 HDTYDBNYVRKPOV-INIZCTEOSA-N 335.411 1.835 70 50 EDIA CN(C(=O)c1cncc(OS(=O)(=O)F)c1)c1ccc(F)cn1 1875385309 QQIPDZPBABHGHL-UHFFFAOYSA-N 329.284 1.485 70 50 EDIA C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CCN(S(=O)(=O)F)C2)O1 1875368395 OEIQRMKPFRZTKT-UKRRQHHQSA-N 328.409 1.566 70 50 EDIA CC[C@@H](NS(=O)(=O)c1ccc(NC(N)=O)cc1)[C@H]1C[C@H](O)C1 218072331 LPERLUKQMBBHQZ-SUZMYJTESA-N 327.406 1.005 70 50 EDIA O=C(N[C@@H]1COCC[C@@H]1OCC1CCC1)c1c[nH]c(=O)c(Cl)c1 218120309 UROHDLAZIPLGJI-KGLIPLIRSA-N 340.807 1.732 70 50 EDIA Cc1cc(N)n(CC(=O)N(C)Cc2nc3cc(Cl)ccc3[nH]2)n1 217726109 XBXBRLOBIVCMBU-UHFFFAOYSA-N 332.795 1.962 70 50 EDIA O=C(N[C@H](Cc1ccncc1)[C@H]1C[C@H](O)C1)C1(Cn2ccnc2)CC1 218353987 HZAAPKJQUNUXIM-IXDOHACOSA-N 340.427 1.557 70 50 EDIA c1ccc(CO[C@@H]2CCOC[C@H]2Nc2ncnc3[nH]cnc23)nc1 218298635 VHOJRSUMLDAKGQ-CHWSQXEVSA-N 326.360 1.534 70 50 EDIA Cn1cc(C(=O)N2CCn3nc([C@H](O)CO)cc3C2)c2ccccc21 217896020 ZBCKLNLRAHXQIR-QGZVFWFLSA-N 340.383 1.057 70 50 EDIA Cc1[nH]c2c(F)cccc2c1CC(=O)N1CCn2nc(CO)cc2C1 217568587 DYSHRSULQVJHBP-UHFFFAOYSA-N 342.374 1.889 70 50 EDIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1ccc(O)cc1 217888815 UALUXTLIQFWZJA-LLVKDONJSA-N 329.308 1.698 70 50 EDIA biogenic Cc1c(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cnn1CC(C)C 160586194 ITEANTJXVZUXPM-KRWDZBQOSA-N 340.427 1.900 70 50 EDIA O=C(N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1cnc2cccnn12 218497925 ULFKMDQDAAIXLD-QEJZJMRPSA-N 337.383 1.236 70 50 EDIA Cc1cc(-n2c(C)cc(C(=O)N3C[C@H]4[C@@H](C3)OCCN4C)c2C)no1 159655156 XDVCWCNUCSEYRR-JKSUJKDBSA-N 344.415 1.546 70 50 EDIA CN1CCO[C@@H]2CN(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)C[C@@H]21 159696552 DWTKQCWTSDVCSE-JKSUJKDBSA-N 330.363 1.371 70 50 EDIA Cc1ccc(O[C@H]2CCOC[C@H]2NC(=O)CCn2ccnc2C)cn1 218208962 ZIDWSSYPXHBHPF-SJORKVTESA-N 344.415 1.638 70 50 EDIA Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)NCc1ccncc1 218524230 RLAPYJUXTNIKRW-INIZCTEOSA-N 341.411 1.969 70 50 EDIA CO[C@H]1CC[C@@H](C)N(C(=O)c2cncc(OS(=O)(=O)F)c2)C1 1875385032 LJCDUDLTVVQCIN-KOLCDFICSA-N 332.353 1.314 70 50 EDIA O=C(c1cc2sccc2[nH]1)N1CCCn2nc([C@H](O)CO)cc2C1 217002076 QSXVGOKRQXBQLF-CQSZACIVSA-N 346.412 1.498 70 50 EDIA CC[C@H](O)c1cc2n(n1)CCN(Cc1nc3ccsc3c(=O)[nH]1)C2 217826708 BIGLRMHZRWSYCY-ZDUSSCGKSA-N 345.428 1.640 70 50 EDIA COc1cncc([C@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@H]2C[C@@H](O)C2)c1 218762062 MBDCVAWDJPQJQG-CJBNDPTMSA-N 342.399 1.933 70 50 EDIA C[C@@H]1CN(Cc2ccccc2)C[C@]2(CCN(S(=O)(=O)F)C2)O1 1875368394 OEIQRMKPFRZTKT-HIFRSBDPSA-N 328.409 1.566 70 50 EDIA COc1ccccc1CC(=O)N1CCCn2nc([C@@H](C)O)cc2C1 217081966 IGIOLNFONLRAKG-CYBMUJFWSA-N 329.400 1.920 70 50 EDIA CC[C@H](NC(=O)Cc1c[nH]c(=O)[nH]c1=O)c1nc2cc(C)ccc2[nH]1 217895848 KKCRAHXXUUOTIS-NSHDSACASA-N 341.371 1.058 70 50 EDIA O=C(CNc1c(NCCC2=CCCCC2)c(=O)c1=O)N1CCCC1 218268459 HWTXCLLWRQGSHZ-UHFFFAOYSA-N 331.416 1.619 70 50 EDIA CC(C)n1cc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)cn1 460093646 LPLFBQDOFHXQKT-UHFFFAOYSA-N 347.393 1.923 70 50 EDIA O=C(CCCc1cccs1)NCc1nc(-c2cnccn2)n[nH]1 217158875 MCPARPJKGZZPQX-UHFFFAOYSA-N 328.401 1.962 70 50 EDIA CC[C@@H]1C[C@H](NC(=O)c2cncc(OS(=O)(=O)F)c2)CCO1 1875384915 KASYGGVKIWEILQ-GHMZBOCLSA-N 332.353 1.362 70 50 EDIA CC(C)N(CCS(C)(=O)=O)S(=O)(=O)c1ccc(Cl)cc1 159673736 IZGUDROUSLCLPJ-UHFFFAOYSA-N 339.866 1.784 70 50 EDIA CC(=O)c1c(C)nn(CC(=O)N2CCC[C@H](c3ccncn3)C2)c1C 218747941 IBDWEJGJKDMMIF-HNNXBMFYSA-N 341.415 1.899 70 50 EDIA Cn1nccc1CCC(=O)N[C@@H]1CCOC[C@H]1Oc1ccccn1 218030017 JFXMHQWXHVHNDD-HUUCEWRRSA-N 330.388 1.100 70 50 EDIA CC(=O)N1CC(Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)=CC1=O 218509374 WGSGYMDVBBJXEQ-UHFFFAOYSA-N 349.412 1.083 70 50 EDIA CN1CCN(c2ccc(C(=O)NCCN3CCCCC3=O)cc2)CC1 218441324 IWOWVUZVXRQKEC-UHFFFAOYSA-N 344.459 1.181 70 50 EDIA COC[C@H]1[C@@H](NC(=O)COc2cccc(Cl)c2)[C@@H]2CCO[C@@H]21 218287823 MTEJKTMAILNGCL-SDADXPQNSA-N 325.792 1.885 70 50 EDIA COc1ccccc1-c1n[nH]cc1C(=O)N[C@H](CO)CCSC 218288555 BECURLRUYZENHA-NSHDSACASA-N 335.429 1.929 70 50 EDIA CC[C@]1(O)CCN(C(=O)C2(c3ccccc3)CCN(C)CC2)C[C@@H]1O 216639812 HGRAJKYRBHEVIU-PXNSSMCTSA-N 346.471 1.384 70 50 EDIA CO[C@H]1CCN(C(=O)c2cncc(OS(=O)(=O)F)c2)[C@@H](C)C1 1875385355 REXAYAVYKVCRAT-ONGXEEELSA-N 332.353 1.314 70 50 EDIA O[C@H]1CN(c2cnc3ccccc3n2)CCN(C2CCOCC2)C1 217781301 OPCCATZZUYGYKA-OAHLLOKOSA-N 328.416 1.292 70 50 EDIA COC(=O)[C@H](CCSC)NC(=O)c1cn(C)c(=O)c2ccccc12 217627974 HVWXEYRIRMJTGR-AWEZNQCLSA-N 348.424 1.563 70 50 EDIA biogenic CO[C@@H]1CCC[C@@H](NC(=O)c2cncc(OS(=O)(=O)F)c2)C1 1875384641 HVTMKXSESALMBV-GHMZBOCLSA-N 332.353 1.362 70 50 EDIA O=C(N[C@@H]1CCCN(c2cnccn2)C1)c1cccc2c1OCCO2 218486064 KOBONBYQPGVZRK-CYBMUJFWSA-N 340.383 1.647 70 50 EDIA Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1coc2ccc(Cl)cc2c1=O 218362920 QQTBLSHYUPPBRK-SECBINFHSA-N 347.758 1.779 70 50 EDIA Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)NCCN(C)C)n1 218174610 CFBLSQCIAUDDJF-QGZVFWFLSA-N 341.459 1.794 70 50 EDIA COCCn1cncc1CNC(=O)CCN1Cc2ccccc2C1=O 218718659 KNLVBKOTQZYIFH-UHFFFAOYSA-N 342.399 1.192 70 50 EDIA O=S(=O)(F)c1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C3)C2)cc1 1776007376 ONORISDEMSSRAQ-QWRGUYRKSA-N 333.406 1.765 70 50 EDIA COc1cccc(CC(=O)N2CCCO[C@H](CN3CCCC3)C2)c1 217042748 DWOTXBGWKFNILX-GOSISDBHSA-N 332.444 1.951 70 50 EDIA O=C(c1cc(CO)ccn1)N1CCCN(Cc2cccnc2)CC1 217433005 SWYKQNQXGNDZFG-UHFFFAOYSA-N 326.400 1.317 70 50 EDIA CC1CCN(c2cccc(NC(=O)N3CCO[C@H](C(N)=O)C3)c2)CC1 159748699 XWUNHIMTTMWTPJ-INIZCTEOSA-N 346.431 1.641 70 50 EDIA C[C@@H](CCO)NC(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 159619561 WFFRQKRDCVOUJB-STQMWFEESA-N 341.402 1.999 70 50 EDIA O=C(CCc1nc2ccccc2s1)N1Cc2cnn(CCO)c2C1 217013324 MGAQKOCBKNRQTL-UHFFFAOYSA-N 342.424 1.960 70 50 EDIA COCC[C@@H]1CN(C(=O)CN2CCOc3ccccc3C2)CCO1 218664316 MSTHPCBIMBDQHV-MRXNPFEDSA-N 334.416 1.145 70 50 EDIA O=C(CCN1CCCCCC1=O)NCCc1noc(C(F)(F)F)n1 217773267 JVRIUXNFWNFPCW-UHFFFAOYSA-N 348.325 1.540 70 50 EDIA Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)CCCc2cn[nH]c2)cn1 218675408 KQRSVLPCBWTDKQ-SJORKVTESA-N 344.415 1.789 70 50 EDIA C[C@@H](CO)N(C)C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 160367248 RPHQDFUWQFHONJ-LBPRGKRZSA-N 325.430 1.856 70 50 EDIA Cc1nonc1CC(=O)N1CCC(N2CCc3ccccc3C2)CC1 217040570 YUDUKGRDMAETGF-UHFFFAOYSA-N 340.427 1.970 70 50 EDIA CN(C)C(=O)c1ccc(Br)cc1OS(=O)(=O)F 1875374468 RPHUIWIFWVQRIV-UHFFFAOYSA-N 326.143 1.744 70 50 EDIA Cc1nnsc1CN(C)Cc1ccc(OCC(N)=O)c(Cl)c1 218285106 AYYWHIJTGKHJJF-UHFFFAOYSA-N 340.836 1.996 70 50 EDIA Cn1ccnc1CN1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccn1 216649879 XQOYSEWBMOMKPR-ZBFHGGJFSA-N 325.416 1.438 70 50 EDIA O=C(CCc1nc2ccccc2s1)N1CCn2nc(CO)cc2C1 217127028 GWAHZWXANQUWFT-UHFFFAOYSA-N 342.424 1.960 70 50 EDIA O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)Nc1cccnc1 218331288 KTKRHMSJXLHWSD-ZDUSSCGKSA-N 328.328 1.514 70 50 EDIA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)[C@H]2CCCO2)C3)cn1 218486375 DVULGHTXRLGBEU-CQSZACIVSA-N 328.372 1.544 70 50 EDIA O=C(c1ccccc1N1CCOCC1)N1CCC[C@H](c2nnc[nH]2)C1 217038535 MJYSTLDBHIUBMA-AWEZNQCLSA-N 341.415 1.661 70 50 EDIA CCc1ccc(CN(C)C(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)nc1 218499790 RCLLEQFQYOFWCO-INIZCTEOSA-N 329.404 1.073 70 50 EDIA CCc1cc(C(=O)Nc2cncc(OS(=O)(=O)F)c2)n(C)n1 1875387420 HQBZWVBBAWJFPT-UHFFFAOYSA-N 328.325 1.223 70 50 EDIA CCc1nc(C)ccc1OCC(=O)N1CCC[C@@H](N2CCCC2=O)C1 217577400 BGXQXIZOSFVNLB-OAHLLOKOSA-N 345.443 1.945 70 50 EDIA CN(C)c1ccc(CCC(=O)N2C[C@H]3C[C@H](O)[C@H](O)C[C@H]3C2)cc1 217158636 BWCWLADKWPFYFE-YJEJQGFLSA-N 332.444 1.275 70 50 EDIA C[C@H]1SCCN(C(=O)c2cncc(OS(=O)(=O)F)c2)[C@@H]1C 1875384343 FLIDXVRHEXPWLA-RKDXNWHRSA-N 334.394 1.641 70 50 EDIA CCCc1cc(CN(C)C(=O)Cc2nc3nc(C)cc(C)n3n2)n[nH]1 217984601 YJSDPAAHORCDEH-UHFFFAOYSA-N 341.419 1.618 70 50 EDIA CN(C)[C@@H]1[C@@H](NC(=O)c2cnc3ccc(F)cc3c2O)[C@H]2CCO[C@H]21 218717590 XHWCQMUYDBJOAW-PMKSDBMWSA-N 345.374 1.527 70 50 EDIA Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)c2ccc(=O)n(C)c2)cn1 218694972 ZVVOFFHYWJIQCQ-CVEARBPZSA-N 343.383 1.055 70 50 EDIA Cc1n[nH]c([C@H]2CCCN(C(=O)c3scc4c3OCCO4)C2)n1 217737440 HCDHIGVRESHCGH-JTQLQIEISA-N 334.401 1.966 70 50 EDIA COc1ccc(C(=O)N2CCn3nc([C@@H](C)O)cc3C2)c(OC)n1 217166618 CAMBVBVZOYZCLL-SNVBAGLBSA-N 332.360 1.005 70 50 EDIA O=C(CNC(=O)NC1CCCCC1)N[C@@H]1c2ccccc2C[C@H]1O 159775767 LKMXHELCRXQGOK-NVXWUHKLSA-N 331.416 1.393 70 50 EDIA CC(C)[C@@H]1COCCN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875385522 VKKOCYABTAWVMD-LBPRGKRZSA-N 332.353 1.172 70 50 EDIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)Cc1ccc2[nH]c(C)nc2c1 218261799 FGDDLMGGMMJHJD-DECQCQTCSA-N 329.400 1.580 70 50 EDIA O=C(CN1CCCC1=O)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1 218489077 GOQRXTWHZUSAHU-CABCVRRESA-N 336.363 1.101 70 50 EDIA Cc1cc(C[C@@H](C)NC(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)n[nH]1 161484632 SZAKRZHRTBTGNV-SNVBAGLBSA-N 343.387 1.826 70 50 EDIA O=C(CCCn1cccn1)N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 218287721 OIBSOKSALZPYTP-DJIMGWMZSA-N 328.416 1.557 70 50 EDIA CN1CCN(Cc2ccc(OCC(=O)NC(C)(C)C)cc2)C[C@@H]1CO 216964074 UJSNTWGSNYZAMI-MRXNPFEDSA-N 349.475 1.088 70 50 EDIA Cc1n[nH]c([C@H]2CCCN(C(=O)CC3=CSC4=NCCCN34)C2)n1 217500291 SSRZLJPCQCUJHF-LBPRGKRZSA-N 346.460 1.859 70 50 EDIA O=C(CNC(=O)c1ccccc1)NC[C@@H]1CCCN2CCCC[C@H]12 217886632 KFCUWSYTBCKZMJ-DLBZAZTESA-N 329.444 1.797 70 50 EDIA biogenic O=C(C[C@@H]1C=CS(=O)(=O)C1)NCCc1nc2c(s1)CCC2 218284980 JDYTYQWFEOEXDQ-JTQLQIEISA-N 326.443 1.239 70 50 EDIA Cc1nc2ccc(C(=O)N3CCCn4nc(CO)cc4C3)cc2o1 217866437 PKRFCNSIFMTNBV-UHFFFAOYSA-N 326.356 1.871 70 50 EDIA CCn1nc(C)c(CNC(=O)c2ccc(N(C)CCO)cc2)c1C 217393874 LUHFYIZEQAFTFM-UHFFFAOYSA-N 330.432 1.878 70 50 EDIA CN(C)C(=O)CCC(=O)N1CC[C@](C)(O)[C@H](Cc2ccccc2)C1 216965311 VYZKQEJFXFLLIP-APWZRJJASA-N 332.444 1.697 70 50 EDIA Cc1cc(C)c2c(O)c(C(=O)NCCN3CCOCC3)cnc2c1 218408281 IZDIZXBRUSWBEG-UHFFFAOYSA-N 329.400 1.619 70 50 EDIA COc1ccc(CCC(=O)Nc2ccc3nnn(C)c(=O)c3c2)cc1 218276580 FSJLLKWGIKPOTM-UHFFFAOYSA-N 338.367 1.908 70 50 EDIA COCCN(CCOC)C(=O)CCc1ccc(S(=O)(=O)F)cc1 1335324424 MYDQQISKKAHAHU-UHFFFAOYSA-N 347.408 1.399 70 50 EDIA CCn1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2c(C)noc2C)n1 218397061 NQJUCOAEWRWROE-GDBMZVCRSA-N 348.403 1.612 70 50 EDIA Cc1nn(C)c(C(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)c1Cl 218086581 QWSTVOFIGRGUEJ-STQMWFEESA-N 341.839 1.943 70 50 EDIA Cc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccn2)no1 216836899 JHNAZDQVDBSCKP-HIFRSBDPSA-N 340.383 1.641 70 50 EDIA Cc1c(C(=O)N2CCn3nc(CO)cc3C2)n(C)c2ccc(F)cc12 216933023 ZVMAHAPUZKYUNV-UHFFFAOYSA-N 342.374 1.971 70 50 EDIA Cc1ccc2c(c1)C[C@H](C(=O)N1CCN(C(=O)c3ccc[nH]3)CC1)N2 218347953 JNFZDJOIPBNYOK-QGZVFWFLSA-N 338.411 1.644 70 50 EDIA O=C(Cn1cc(-c2ccccc2)ncc1=O)NCCc1ccccn1 218146954 NQKRJPCJALCPSU-UHFFFAOYSA-N 334.379 1.664 70 50 EDIA O=C(COc1ncnc2ccccc12)NCc1cnn2cccnc12 217898501 VRGFWDZGNNRRFY-UHFFFAOYSA-N 334.339 1.368 70 50 EDIA CN(Cc1cccc2cccnc12)C(=O)CC[C@@H]1NC(=O)NC1=O 216913141 HUSOFWZTMRSXTH-ZDUSSCGKSA-N 326.356 1.181 70 50 EDIA Cc1cc(C)n(CCCNC(=O)[C@@H](O)COc2ccccc2C)n1 216918833 NTFIKHSQYCCJRX-INIZCTEOSA-N 331.416 1.755 70 50 EDIA Cc1cccc2[nH]c(COCC(=O)N[C@H](C)c3cnn(C)c3)nc12 217193779 SPYNKIKXWAQREY-GFCCVEGCSA-N 327.388 1.999 70 50 EDIA OC[C@H](O)c1cc2n(n1)CCCN(CCOCc1ccccc1)C2 217215991 JPHWQUQWEXWXMN-SFHVURJKSA-N 331.416 1.331 70 50 EDIA CNC[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 161250091 UJSQILKGBUUISV-DGCLKSJQSA-N 337.370 1.528 70 50 EDIA Cc1cccc(=O)n1CCCNC(=O)Cc1ccc(N(C)C)cc1 217007389 WTNLXDJJEHQKOO-UHFFFAOYSA-N 327.428 1.972 70 50 EDIA O=C(COC[C@H]1CCCCO1)N1CCOc2ccc(CO)cc2C1 217445009 RBWMYDSLAOBMHJ-MRXNPFEDSA-N 335.400 1.486 70 50 EDIA CN(Cc1c[nH]nc1-c1ccccc1)C(=O)C[C@@H]1C=CS(=O)(=O)C1 218636477 MERAFXMHJJEKPS-ZDUSSCGKSA-N 345.424 1.984 70 50 EDIA C[C@H]1CN(C(=O)c2cncc(OS(=O)(=O)F)c2)C(C)(C)CO1 1875384847 JHIYJXGWNOIRSA-VIFPVBQESA-N 332.353 1.314 70 50 EDIA O=C(N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1cnc2cccnn12 218498009 ULFKMDQDAAIXLD-BPLDGKMQSA-N 337.383 1.236 70 50 EDIA CC[C@H]1C[C@H](NC(=O)c2cncc(OS(=O)(=O)F)c2)CCO1 1875384917 KASYGGVKIWEILQ-MNOVXSKESA-N 332.353 1.362 70 50 EDIA O=C(COC[C@H]1CCCO1)NCCc1nccc(-c2ccccc2)n1 218608933 FFHGOBXKHGIBDS-MRXNPFEDSA-N 341.411 1.998 70 50 EDIA COCc1nc(NCc2cnc3cnccn23)cc(C2CC(N)C2)n1 218751423 SPGVQBLURADRAD-UHFFFAOYSA-N 339.403 1.483 70 50 EDIA Cn1ccnc1CN(C(=O)Cn1ccc(=O)c2ccccc21)C1CC1 218166276 FQJUVJOHXVYDSS-UHFFFAOYSA-N 336.395 1.926 70 50 EDIA COc1ccc(C(=O)N[C@H](CO)CCSC)cc1-n1cccn1 218315462 GXNNHCQDVBJXCS-ZDUSSCGKSA-N 335.429 1.725 70 50 EDIA CC(=O)c1[nH]c(C)c(C(=O)N2CCN(Cc3nccn3C)CC2)c1C 217641582 VEADLTVDVUALBT-UHFFFAOYSA-N 343.431 1.526 70 50 EDIA OCc1cc2n(n1)CCCN(C1CCN(Cc3ccccn3)CC1)C2 217152415 BPOYBUPJHJGLRG-UHFFFAOYSA-N 341.459 1.641 70 50 EDIA O=C(C(=O)N1CCCC[C@@H]1CCN1CCOCC1)c1cccnc1 218026592 PTAUEKJAHGEKQH-MRXNPFEDSA-N 331.416 1.368 70 50 EDIA CN(CC(=O)NCCc1noc([C@H]2CCCO2)n1)Cc1ccncc1 217554050 NKXGZLFVKBJTNB-CQSZACIVSA-N 345.403 1.107 70 50 EDIA CC(=O)N1CCN(C(=O)[C@H](C)n2nc(C3CC3)nc2C2CC2)CC1 161479470 ORJHHRMVQZDVBR-NSHDSACASA-N 331.420 1.285 70 50 EDIA COc1ccc([C@@H](NC(=O)c2ncccc2O)C2CC(O)C2)cn1 218003880 JUYYLXXLGZGADH-KOHJWAIASA-N 329.356 1.433 70 50 EDIA CC[C@@H](NC(C)=O)C(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1 876319675 HIPACOKLQREVLC-GFCCVEGCSA-N 334.344 1.478 70 50 EDIA CSCc1ccc(C(=O)N2CCN(c3ncc[nH]c3=O)CC2)o1 216942673 LYXWHJZPANAIQK-UHFFFAOYSA-N 334.401 1.188 70 50 EDIA CCN1CCC[C@@H]1CNC(=O)c1c(C)cc(C)n(CCOC)c1=O 218541400 CHNHNZHNXNXGBF-OAHLLOKOSA-N 335.448 1.326 70 50 EDIA O=C1CC[C@@H]2CN(Cc3ccccn3)CC[C@@H]2N1CCc1cnc[nH]1 216774907 AAKLVJMEEWTIMT-QAPCUYQASA-N 339.443 1.860 70 50 EDIA Cn1cnnc1SCC(=O)N1CCC[C@H](C(=O)c2ccccn2)C1 218726605 LGAYLWZQAFLZCG-LBPRGKRZSA-N 345.428 1.424 70 50 EDIA CCO[C@@H]1C[C@H](NC(=O)c2cn(C3CCNCC3)nn2)C12CCCC2 159550710 FSAUIMMTSPKNQD-JKSUJKDBSA-N 347.463 1.670 70 50 EDIA COC(=O)c1csc(NC(=O)N2CCN(c3cnn(C)c3)CC2)c1 161140016 JTVHEZJRXVSFAZ-UHFFFAOYSA-N 349.416 1.622 70 50 EDIA O=C(CCC1CC1)N1CC[C@H]2[C@H](CCC(=O)N2CCc2cnc[nH]2)C1 217055024 RXDVOMYBOZPQAJ-WBVHZDCISA-N 344.459 1.982 70 50 EDIA Cc1cc(C)n(CCCNC(=O)[C@H](O)COc2ccccc2C)n1 216918853 NTFIKHSQYCCJRX-MRXNPFEDSA-N 331.416 1.755 70 50 EDIA COc1ccc([C@H](CC(N)=O)c2c(C)[nH][nH]c2=O)c(OC)c1OC 218293252 QTHZUWXHJDQJHO-JTQLQIEISA-N 335.360 1.045 70 50 EDIA O=C(C[C@@H]1C=CS(=O)(=O)C1)NCc1cnn(Cc2ccccc2)c1 217000813 KQLWYPUMCWUPMD-HNNXBMFYSA-N 345.424 1.496 70 50 EDIA CN(C)Cc1ccc(CNc2cc(C3CC(N)C3)nc(N)n2)cc1 218105152 SIYJSLNKPVEZHD-UHFFFAOYSA-N 326.448 1.937 70 50 EDIA CN1CCN(CCC(=O)NCCc2noc(C3CCCC3)n2)CC1 217627262 JSNLDURKEYXYOE-UHFFFAOYSA-N 335.452 1.023 70 50 EDIA COc1ccc(CNc2cc(C3CC(O)C3)nc(N)n2)c(OC)c1 218512068 FEFMWTZQZULOHU-UHFFFAOYSA-N 330.388 1.926 70 50 EDIA Cn1ccnc1CN1CCN(C(=O)[C@@H](O)c2ccc(Cl)cc2)CC1 217207572 LRSFRPWCBDUEOX-INIZCTEOSA-N 348.834 1.451 70 50 EDIA CO[C@H](C)c1nc(C)c(C(=O)N2CCS(=O)(=O)C(C)(C)C2)s1 160178708 GPXKFIFXCDKXJE-SNVBAGLBSA-N 346.474 1.808 70 50 EDIA Cn1nc(C(=O)N2CCC[C@@H](c3ccncn3)C2)c2ccccc2c1=O 217741830 WKHNHKTXLZNSBW-CYBMUJFWSA-N 349.394 1.743 70 50 EDIA O=C(c1cncc(OS(=O)(=O)F)c1)N1CC[C@@H](CC2CC2)C1 1875385379 RVGWBHQVFUMGLA-NSHDSACASA-N 328.365 1.937 70 50 EDIA COc1cccc([C@H]2CCN(C(=O)Cn3nc(C)cc3N)C2)c1OC 217507087 HOVJMWFCFHJITO-ZDUSSCGKSA-N 344.415 1.807 70 50 EDIA O=C(c1c[nH]c2ccccc12)N1CCCN(S(=O)(=O)F)CC1 1875368238 AXOFNPDEHBJXAG-UHFFFAOYSA-N 325.365 1.530 70 50 EDIA Cc1ccc(O[C@H]2CCOC[C@H]2NC(=O)CCc2cnccn2)cn1 218108644 JQGVMMZSNQUONR-SJORKVTESA-N 342.399 1.465 70 50 EDIA O=C(N[C@@H](Cc1ccncc1)[C@H]1C[C@H](O)C1)C1(Cn2ccnc2)CC1 218353897 HZAAPKJQUNUXIM-BBWFWOEESA-N 340.427 1.557 70 50 EDIA Cc1cccc([C@H](C(=O)NCCCn2ccccc2=O)N(C)C)c1 217518005 IXCHNASGSXKCSR-GOSISDBHSA-N 327.428 1.966 70 50 EDIA Cc1cc(=O)c(O)c(CN2CCn3c(nnc3C(F)(F)F)C2)o1 218383022 YQJCWYDRNHSMDT-UHFFFAOYSA-N 330.266 1.280 70 50 EDIA O=S(=O)(/C=C/c1ccccc1)N1CCCn2nc(CO)cc2C1 217716953 NIVQHAJQFGVCED-JXMROGBWSA-N 333.413 1.582 70 50 EDIA CN(C)CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc2ncccc2c1 218267648 ZZBZJVLZEJQNDJ-QZTJIDSGSA-N 343.427 1.700 70 50 EDIA CCS(=O)(=O)C[C@H](C)NC(=O)N1CCC[C@@H](N2CCCC2)CC1 159907046 GTMXJTUMYNTENV-LSDHHAIUSA-N 345.509 1.470 70 50 EDIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)C1(c2ccc(OC)cc2)CC1 218278634 YRMQLXYPSWTXQO-HZMVEIRTSA-N 331.412 1.893 70 50 EDIA CC(=O)NCCC(=O)N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1 218067299 RMZBLICLGMXUHL-JTTJXQCZSA-N 332.400 1.076 70 50 EDIA O=C1CCN(C(=O)NCCOCc2ccc(Cl)cc2)CCN1 160517866 AYEUDZIHIRRMSN-UHFFFAOYSA-N 325.796 1.388 70 50 EDIA CC(C)c1cc([C@H]2CCCN2C(=O)c2c[nH]nc2-n2cnnn2)no1 218295887 RYFGVPPQIVPYCS-GFCCVEGCSA-N 342.363 1.474 70 50 EDIA Cc1noc(C)c1C(=O)N1CCOc2ccc(S(C)(=O)=O)cc21 159463216 JXTBUIRARSLPGM-UHFFFAOYSA-N 336.369 1.734 70 50 EDIA Cn1c([C@@H]2CCCN(C(=O)CCn3cnnn3)C2)nc2ccccc21 216973911 JHSGQOCDOCVJCA-CYBMUJFWSA-N 339.403 1.356 70 50 EDIA COc1coc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1=O 218554660 FNFSRMXMQYVXCR-UHFFFAOYSA-N 328.368 1.606 70 50 EDIA CN(Cc1nccs1)C(=O)[C@@H]1Cc2ccccc2S(=O)(=O)N1 217798105 GQDSZAZBPSDQAM-NSHDSACASA-N 337.426 1.005 70 50 EDIA O=C(Cc1ccc2c(c1)OCO2)NCCc1noc(C(F)(F)F)n1 217194660 QZZCLBKODILKEA-UHFFFAOYSA-N 343.261 1.719 70 50 EDIA Cc1n[nH]c([C@@H]2CCCN(C(=O)c3scc4c3OCCO4)C2)n1 217737349 HCDHIGVRESHCGH-SNVBAGLBSA-N 334.401 1.966 70 50 EDIA CCc1ccc([C@H]2CCCCN2C(=O)C2CC3(C2)NC(=O)NC3=O)o1 159690051 UZFQBMYXOHMECR-NOBQPIJMSA-N 345.399 1.884 70 50 EDIA CSc1ncc(C(=O)N[C@H]2CCCN(Cc3cccnc3)C2)cn1 218056621 IJNGMPKIXQHAFN-HNNXBMFYSA-N 343.456 1.988 70 50 EDIA CCCc1nnsc1C(=O)NCCc1noc([C@H]2CCCO2)n1 218125405 HOGUTDWVHPYVIO-SNVBAGLBSA-N 337.405 1.698 70 50 EDIA Cc1ccnn1CCC(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CC1 216828238 JAXUBJZEVOQXGL-CVEARBPZSA-N 330.432 1.441 70 50 EDIA O=C(Cc1ccc2c(c1)OCO2)N1CCCn2nc(CO)cc2C1 217595753 XQGBZSUACACGFA-UHFFFAOYSA-N 329.356 1.079 70 50 EDIA CC(C)c1nc(NC(=O)COc2ccc3c(c2)NC(=O)CC3)n[nH]1 218449241 HNEVIYMXDXSIOO-UHFFFAOYSA-N 329.360 1.830 70 50 EDIA O=S(=O)(NC[C@@H](O)COc1ccc(F)c(F)c1)c1ccccc1 161273841 IENQRBPJNUHWGI-LLVKDONJSA-N 343.351 1.683 70 50 EDIA C[C@H]1CSc2ccccc2N(C(=O)c2cn(CC(N)=O)nn2)C1 159538854 URAILNFUSYERCR-SNVBAGLBSA-N 331.401 1.152 70 50 EDIA O=C(COc1ncnc2ccccc12)NCc1cnc2cnccn12 217187232 DRPYCOIKUKRALM-UHFFFAOYSA-N 334.339 1.368 70 50 EDIA Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N1CCNC(=O)CC1)O2 217728718 LAWGJBGZDPKFIQ-IBGZPJMESA-N 346.427 1.750 70 50 EDIA Cc1cccc(N2CCN(CC(=O)N(C)Cc3nnc(C)o3)CC2)c1 216973781 YGFQBRZDTDCKKQ-UHFFFAOYSA-N 343.431 1.467 70 50 EDIA CN(CC(=O)NC[C@@H]1OCCc2ccccc21)Cc1ccncc1 217118611 TVZQIESOGRBXDJ-SFHVURJKSA-N 325.412 1.944 70 50 EDIA O=C(Cn1cc(-c2ccccc2)ncc1=O)NCC1CCOCC1 218327383 LHZDVPPBPWTZLB-UHFFFAOYSA-N 327.384 1.453 70 50 EDIA COc1ccc(NC2=CC(=O)N(C(C)=O)C2)cc1NC(=O)C(C)C 218456611 XQRVCUGAVSTXKH-UHFFFAOYSA-N 331.372 1.974 70 50 EDIA CC[C@@H]1CN(C(=O)c2cncc(OS(=O)(=O)F)c2)[C@@H](C)CO1 1875383755 AMBQBXOJXSFOPZ-GXSJLCMTSA-N 332.353 1.314 70 50 EDIA CN1C[C@]2(CCCN(C(=O)Cn3ncc4ccccc43)C2)OC1=O 217372491 FQNSIDYWVPMLGV-KRWDZBQOSA-N 328.372 1.480 70 50 EDIA CC(C)c1cc(C(=O)N[C@H](c2cnn(C)c2)C2CC(O)C2)n(C)n1 218615077 KCWZDIIXZBTWET-TZDAIYRESA-N 331.420 1.519 70 50 EDIA Cc1ncsc1CCC(=O)N[C@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1 218116650 NRNSZXFSXWYQSB-RBOXIYTFSA-N 334.445 1.746 70 50 EDIA COCCC1(C(=O)NS(=O)(=O)c2c(C)noc2C)CCCC1 161088173 KSXAKULBPDTPNX-UHFFFAOYSA-N 330.406 1.693 70 50 EDIA Cc1ccc(C)n1CC(=O)N1CCn2c(nnc2C(F)(F)F)C1 218467000 MHCGYLPNFDQQRQ-UHFFFAOYSA-N 327.310 1.758 70 50 EDIA COC[C@@H](NC(=O)c1cc(=O)n(-c2ccccc2)[nH]1)c1ccnn1C 218157260 JCHCLUBHZYQWEW-CQSZACIVSA-N 341.371 1.017 70 50 EDIA Cn1cnc2cc(C(=O)N[C@@H]3CCN(c4ncccc4F)C3)cnc21 160775428 FICWCXOSJBETHS-GFCCVEGCSA-N 340.362 1.511 70 50 EDIA Cc1nc(O)nc(C)c1CCC(=O)N[C@H]1COC[C@@H]1N1CCCCC1 218717036 DCQVIMOQTFBUMZ-HOTGVXAUSA-N 348.447 1.101 70 50 EDIA O=C(C[C@H]1C=CS(=O)(=O)C1)NCCc1nc2c(s1)CCC2 218285035 JDYTYQWFEOEXDQ-SNVBAGLBSA-N 326.443 1.239 70 50 EDIA Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)NCCN(C)C)n1 218174530 CFBLSQCIAUDDJF-KRWDZBQOSA-N 341.459 1.794 70 50 EDIA CN(C)[C@@H]1[C@@H](NC(=O)c2c[nH]nc2-c2ccccc2F)[C@H]2CCO[C@H]21 218169449 RREHWJVWAYZSIZ-GLZXHMCRSA-N 344.390 1.663 70 50 EDIA Cc1cn(-c2ccccc2Cl)nc1C(=O)NC[C@H]1CN(C)CCO1 161168283 ILOMXKVQSDNMLK-ZDUSSCGKSA-N 348.834 1.895 70 50 EDIA COc1cc2c(cc1CN1CCCn3nc(CO)cc3C1)OCO2 217645520 GURLBWZVFAWOOO-UHFFFAOYSA-N 331.372 1.519 70 50 EDIA CC(=O)Nc1cccc(C(=O)N2CCCO[C@@H](CN3CCCC3)C2)c1 217906951 CFPYSSVNADDPAY-SFHVURJKSA-N 345.443 1.972 70 50 EDIA Cc1cc(N2CCN(C(=O)CSc3nncn3C)CC2)cc(C)n1 218280216 VGWYOTVAQBPWAV-UHFFFAOYSA-N 346.460 1.268 70 50 EDIA COc1ccc2c(c1)C[C@H](C(=O)NCCCn1ccccc1=O)CO2 217731832 UTYUNZYRRITYKB-HNNXBMFYSA-N 342.395 1.615 70 50 EDIA CC(=O)N1c2ccc(S(=O)(=O)Nc3nncs3)cc2C[C@H]1C 160589865 QYBRMLSQJUGPNE-MRVPVSSYSA-N 338.414 1.636 70 50 EDIA CC(=O)N1CCC2(CCc3ccc(OS(=O)(=O)F)cc3O2)CC1 1875374699 XVQBWYHXZHQJNQ-UHFFFAOYSA-N 343.376 1.986 70 50 EDIA CCn1ncc(CN(CCS(=O)(=O)F)c2cccc(C)c2)n1 1875382775 QLNNVZQAWBNBDW-UHFFFAOYSA-N 326.397 1.912 70 50 EDIA Cc1cc(=O)cc(C(=O)N2CCN(Cc3ccc(F)cc3)C(=O)C2)o1 217961945 TZTFJDLFJNAVSW-UHFFFAOYSA-N 344.342 1.572 70 50 EDIA CC[C@@]1(C)COCCN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875384838 JFDIMJFEAGAXBG-ZDUSSCGKSA-N 332.353 1.316 70 50 EDIA C[C@@H](O)c1cc2n(n1)CCN(CCS(=O)(=O)c1ccccc1)C2 217089123 VLMFWXGPZVGKRK-CYBMUJFWSA-N 335.429 1.226 70 50 EDIA CC[C@@H](Cn1ccnc1)NC(=O)CCS(=O)(=O)c1ccc(C)cc1 218719723 UUAODJFULXNDQV-HNNXBMFYSA-N 349.456 1.950 70 50 EDIA Cc1nc(CCN(C)C(=O)CN2CC[C@H](c3ccccc3)C2)no1 218424648 QYBGYOIRVSFKJF-INIZCTEOSA-N 328.416 1.868 70 50 EDIA O=C(N[C@H]1CCCN(c2cnccn2)C1)c1cccc2c1OCCO2 218486154 KOBONBYQPGVZRK-ZDUSSCGKSA-N 340.383 1.647 70 50 EDIA C[C@@H]1CCO[C@@H]1C(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 160715223 BATSQUDZUPWDGS-DOMZBBRYSA-N 334.420 1.406 70 50 EDIA COc1ccc(C(=O)N[C@H](c2cnn(C)c2)C2CC(O)C2)cc1O 218028661 RUGGMSYDQIDEGU-TZDAIYRESA-N 331.372 1.376 70 50 EDIA Cc1ccccc1[C@@H](C(=O)N1CCC(CO)(CN(C)C)CC1)N(C)C 217438252 FJYQMQJCUQWGIO-SFHVURJKSA-N 347.503 1.760 70 50 EDIA CC(C)n1cnnc1CN(C)C(=O)[C@H](c1ccccc1)n1cnnn1 218756679 VVVUYDNEWKXHJU-HNNXBMFYSA-N 340.391 1.094 70 50 EDIA CCOc1ccc(CC(=O)N2CCN(c3ncc[nH]c3=O)CC2)cc1 218769547 QQDCDBBNGPOZIQ-UHFFFAOYSA-N 342.399 1.060 70 50 EDIA CSCc1ccc(C(=O)N2CCc3nc(C)[nH]c(=O)c3CC2)o1 217496131 BAOANBYXAVXQNX-UHFFFAOYSA-N 333.413 1.775 70 50 EDIA CC[C@@H]1CO[C@@H](C)CN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875385320 QVNCRBDRAWHTOF-GXSJLCMTSA-N 332.353 1.314 70 50 EDIA Cc1cc(NC(=O)CC2CCN(S(=O)(=O)F)CC2)ccc1O 1875374548 WBWJRMSNYXWHDK-UHFFFAOYSA-N 330.381 1.956 70 50 EDIA COCCN1C(=O)[C@@H]2CC[C@H]1CN(c1cc(C(C)C)nc(C)n1)C2 216748998 DFPQQNLSAUPCHM-CABCVRRESA-N 332.448 1.982 70 50 EDIA O=C1CN(CC(=O)N2CCCC[C@H]2CCc2cccc(O)c2)CCN1 218266959 HKIRZKPZXIDYPL-INIZCTEOSA-N 345.443 1.138 70 50 EDIA Cc1cnc(C(=O)N2CCCn3nc([C@H](O)C4CCC4)cc3C2)cn1 218509688 GJHCCYUPULVCOC-QGZVFWFLSA-N 341.415 1.861 70 50 EDIA COc1cn(CC(=O)NCCn2ccc3ccccc32)c(C)cc1=O 218384469 USYJTLXHHWPCFH-UHFFFAOYSA-N 339.395 1.936 70 50 EDIA Cc1cc(C)n2ncc(CN3CCCn4nc(CO)cc4C3)c2n1 217001349 LZJFRJFOYHWNAQ-UHFFFAOYSA-N 326.404 1.441 70 50 EDIA CC(C)Cn1cnc(S(=O)(=O)NCC2(O)CCCCCC2)c1 160977944 UBOIVQJKMFYKNK-UHFFFAOYSA-N 329.466 1.903 70 50 EDIA CN(Cc1cnccn1)C(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1 217837101 LLPAWHMTNJAQAL-LBPRGKRZSA-N 328.347 1.627 70 50 EDIA O=C(C[C@H]1C=CS(=O)(=O)C1)NCCc1noc(-c2ccccc2)n1 217214891 JDDBUIFWBCSNPU-GFCCVEGCSA-N 347.396 1.344 70 50 EDIA Cc1noc([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)F)cc2)n1 1354280208 DCZBZCVJWAUTOI-SECBINFHSA-N 341.364 1.846 70 50 EDIA C[C@H](Cc1ccccn1)NC(=O)COc1ccc(-n2cnnn2)cc1 217878764 RPEHMTHXOVWICB-CYBMUJFWSA-N 338.371 1.184 70 50 EDIA O=C(CCc1cc(O)no1)N[C@@H]1COCC[C@H]1Oc1ccccn1 218742059 KQWVQHXDXHGTBI-CHWSQXEVSA-N 333.344 1.061 70 50 EDIA COCCNC(=O)[C@H](Cc1ccccc1)Nc1nc(C)cc(C)n1 218412447 HJUOOMSUCMCLRQ-INIZCTEOSA-N 328.416 1.879 70 50 EDIA Cc1nccc(C(=O)N[C@@H]2COCC[C@@H]2OCc2c(C)noc2C)n1 218668418 ZEJPMTRNDXERGE-CVEARBPZSA-N 346.387 1.494 70 50 EDIA CC[C@H](C(=O)NCc1nc(-c2ccccc2)n[nH]1)N1CCOCC1 218379073 PUOYLQPZKWFAOK-CQSZACIVSA-N 329.404 1.199 70 50 EDIA O=C(c1cnc(CN2CCCC2)s1)N1CCn2nc(CO)cc2C1 217166081 LHERSFXLLJQPOW-UHFFFAOYSA-N 347.444 1.084 70 50 EDIA COC1(C(=O)N2CCO[C@H](c3ccc(C)cc3C)C2)CCNCC1 160417151 HJFZKKWEVHLJBW-KRWDZBQOSA-N 332.444 1.972 70 50 EDIA Cc1cc(NC(=O)N[C@@H]2c3ccccc3C[C@H]2O)ccc1C(N)=O 159678973 LRXCJEHRIGXERI-HZPDHXFCSA-N 325.368 1.874 70 50 EDIA Cn1cnc(-c2ccc(NC(=O)N[C@@H]3CCc4[nH]ncc4C3)cc2)n1 161374198 FIFWNNYIRZZJFU-CQSZACIVSA-N 337.387 1.884 70 50 EDIA Cc1oc(C(C)C)cc1C(=O)N1CCn2nc([C@H](O)CO)cc2C1 217926360 HQPJNDBEHGOLKM-OAHLLOKOSA-N 333.388 1.590 70 50 EDIA CC[C@@H]1C[C@@H](NC(=O)c2cncc(OS(=O)(=O)F)c2)CCO1 1875384922 KASYGGVKIWEILQ-WDEREUQCSA-N 332.353 1.362 70 50 EDIA O=C(Nc1cncc(OS(=O)(=O)F)c1)[C@H]1Cc2ccccc2O1 1875382724 NPIYOOPVNJAIGC-CYBMUJFWSA-N 338.316 1.617 70 50 EDIA O=C1CC[C@@H]2CN(Cc3cccnc3)CC[C@@H]2N1CCc1cnc[nH]1 216836790 LGKXQFFXSDKZJC-AEFFLSMTSA-N 339.443 1.860 70 50 EDIA O=C1CC[C@@H]2CN(c3ncc(F)cn3)CC[C@@H]2N1CCc1cnc[nH]1 216942216 UFGKOMNGMGAAMK-DOMZBBRYSA-N 344.394 1.399 70 50 EDIA Cc1sc2ncn(CCC(=O)N[C@H](CO)C(C)C)c(=O)c2c1C 218200422 NERBGAHMPSQISS-GFCCVEGCSA-N 337.445 1.598 70 50 EDIA Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(C(=O)C1CCC1)C2 218046413 YPSJHBZIEHUMSQ-MRXNPFEDSA-N 329.404 1.231 70 50 EDIA Cn1nccc1[C@H](O)c1cc2n(n1)CCN(CCCc1ccco1)C2 218699247 ZKMDWDJTMATNMP-GOSISDBHSA-N 341.415 1.740 70 50 EDIA O=C(CN1CCc2ccccc2C1)N[C@@H]1CCOC[C@H]1OCC1CC1 218706498 MVFUPJUEKWUPSH-RTBURBONSA-N 344.455 1.745 70 50 EDIA O=C(CCCn1cccn1)N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 218287674 OIBSOKSALZPYTP-XIRDDKMYSA-N 328.416 1.557 70 50 EDIA CC[C@@H](O)c1cc2n(n1)CCN(Cc1c(C)nn(CCO)c1C)C2 217980415 FFOVMMVBURGTMF-QGZVFWFLSA-N 333.436 1.148 70 50 EDIA CSCC[C@H](NC(C)=O)C(=O)NCc1nc2cc(F)ccc2[nH]1 217171540 KKMBVMVCGKDRJF-LBPRGKRZSA-N 338.408 1.576 70 50 EDIA CO[C@@H]1CC[C@H](C)N(C(=O)c2cncc(OS(=O)(=O)F)c2)C1 1875385031 LJCDUDLTVVQCIN-GXSJLCMTSA-N 332.353 1.314 70 50 EDIA CN(CC(=O)N[C@@H]1COCC[C@@H]1OCC1CC1)Cc1ccncc1 218779590 VBLRGKLDVHDHEC-SJORKVTESA-N 333.432 1.214 70 50 EDIA Cc1cnc(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)cn1 218219296 CKXLHOUGWNXQIT-SJORKVTESA-N 327.384 1.889 70 50 EDIA CC(C)N1C[C@@H](NC(=O)N2CCN(c3ccccc3F)CC2)CC1=O 217289048 JZSJGHAVXMDSOZ-AWEZNQCLSA-N 348.422 1.667 70 50 EDIA CCn1nc(C)c(NC(=O)CN2CCCn3nc(CO)cc3C2)c1C 217039553 BLIFWLRBCDDUMJ-UHFFFAOYSA-N 346.435 1.053 70 50 EDIA Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)NCCn1cccn1 218464511 DDJATNZCPGHJAY-OAHLLOKOSA-N 344.415 1.271 70 50 EDIA C[C@@H]1CN(Cc2ccccc2)CC2(CCN(S(=O)(=O)F)CC2)O1 1875368431 QWETUEKNDZWNDZ-CQSZACIVSA-N 342.436 1.956 70 50 EDIA C[SiH](C)O[Si](O[SiH](C)C)(O[SiH](C)C)O[SiH](C)C 169746438 GTWPLTBXXGOHNT-UHFFFAOYSA-N 328.738 1.422 70 50 EDIA CC(C)c1csc(C(=O)N2CCn3nc([C@@H](O)CO)cc3C2)n1 217677863 GNYLMVDBRKXZCH-ZDUSSCGKSA-N 336.417 1.145 70 50 EDIA O=S(=O)(F)c1ccc(S(=O)(=O)N[C@H]2CC[C@@H](F)C2)cc1 1776007682 UAERTDSYQISFSF-BDAKNGLRSA-N 325.358 1.514 70 50 EDIA COCCn1cnnc1CN(C)C(=O)CCc1ccc(F)c(F)c1 218602925 QPUCTGBRONMNTI-UHFFFAOYSA-N 338.358 1.794 70 50 EDIA Cc1nc2ncccn2c1C(=O)N[C@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1 218480636 IOXKWYVZZNYNDO-UBHSHLNASA-N 340.387 1.013 70 50 EDIA Cn1ccnc1[C@H](O)c1cc2n(n1)CCN(CCCc1ccco1)C2 218348138 BJZKKGHIEWOATJ-QGZVFWFLSA-N 341.415 1.740 70 50 EDIA CCOc1ncccc1C(=O)NCCc1nc2ccccc2c(=O)[nH]1 218429520 OHYCCKBHFZZDMW-UHFFFAOYSA-N 338.367 1.689 70 50 EDIA CSCC[C@@H](CO)NC(=O)CCc1nnc(-c2ccccc2)o1 218157834 UYUBLPNEJFMBIU-ZDUSSCGKSA-N 335.429 1.899 70 50 EDIA CC(C)n1cnnc1CN(C)C(=O)[C@@H](c1ccccc1)n1cnnn1 218756631 VVVUYDNEWKXHJU-OAHLLOKOSA-N 340.391 1.094 70 50 EDIA NC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCOC2(CCCC2)C1 159376390 YMQXLYQBEOLKQX-CVEARBPZSA-N 345.443 1.874 70 50 EDIA CC(=O)c1c(C)nn(CCC(=O)N2CCC[C@H]2c2nc(C)n[nH]2)c1C 218074318 DRPIJUUCIRBKHX-AWEZNQCLSA-N 344.419 1.883 70 50 EDIA COC(=O)C[C@@H](c1ccccc1)c1c(O)c(C(=O)OC)c[nH]c1=O 218101404 NSEGJSYCSNIOHK-NSHDSACASA-N 331.324 1.562 70 50 EDIA biogenic O=C1CCN(c2ccccc2C(=O)NCC[C@@H]2CCCCO2)C(=O)N1 216930484 OFUMYLGFRYRYFR-ZDUSSCGKSA-N 345.399 1.822 70 50 EDIA O=C(N[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(Cl)c[nH]c1=O 218433757 CWFUWFNSWQBUOV-ZDUSSCGKSA-N 345.786 1.559 70 50 EDIA CN1CCN([C@H](c2ccsc2)c2sc3ncnn3c2O)CC1 218467340 YYGJFGONSIIQNX-LLVKDONJSA-N 335.458 1.895 70 50 EDIA O=S(=O)(F)N1CCN(c2cc(-c3ccccc3F)[nH]n2)CC1 1875368413 PBWIAMYSEGRMSU-UHFFFAOYSA-N 328.344 1.552 70 50 EDIA Cc1cn2cc(C(=O)N(C)CCCCN3CCOCC3)ccc2n1 218643050 WSKCVMZUVALOCX-UHFFFAOYSA-N 330.432 1.827 70 50 EDIA CC(C)c1cc(C(=O)N[C@@H](c2cnn(C)c2)C2CC(O)C2)n(C)n1 218615001 KCWZDIIXZBTWET-IJGSQOGDSA-N 331.420 1.519 70 50 EDIA CCO[C@H]1CN(C(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)C[C@@H]1O 218213442 ACTMDKLXZWYHJB-HOTGVXAUSA-N 331.372 1.307 70 50 EDIA CCc1nc(C)ccc1OCC(=O)N1CCn2nc([C@@H](C)O)cc2C1 217968464 RQCJAFKFYBSKLR-CYBMUJFWSA-N 344.415 1.623 70 50 EDIA Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CC[C@@H](c2cccc(Cl)c2)C1 217469774 KSNBKOLUPOILGX-GFCCVEGCSA-N 347.802 1.584 70 50 EDIA CCc1ccc([C@@H]2CCCCN2C(=O)C2CC3(C2)NC(=O)NC3=O)o1 159689899 UZFQBMYXOHMECR-HLZQHVJHSA-N 345.399 1.884 70 50 EDIA COc1ccc2cc(C(=O)N3C[C@H]4[C@@H](C3)OCCN4C)c(C)nc2c1 159665405 MNKFIRXRDAPSMA-ZWKOTPCHSA-N 341.411 1.707 70 50 EDIA CN1CCc2[nH]nc(C(=O)N[C@H](c3ccccn3)[C@H]3C[C@@H](O)C3)c2C1 218606280 PDRBZIPDVCQELF-MKBNYLNASA-N 341.415 1.035 70 50 EDIA NC[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 160381960 RGSPSCVYMRWXTE-SNVBAGLBSA-N 336.335 1.543 70 50 EDIA CC(C)NC(=O)c1ccc(C(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc1 160779034 ZDNXYPJLDATLDV-MRXNPFEDSA-N 343.427 1.708 70 50 EDIA C[C@@H](c1ccccc1)N(CCS(=O)(=O)F)Cc1nnn(C)n1 1875382606 IQUQDZYZXUYDEB-NSHDSACASA-N 327.385 1.073 70 50 EDIA CC1(C)CSCCN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875383798 BANMLSFCNKOJNR-UHFFFAOYSA-N 334.394 1.642 70 50 EDIA Cn1ncc(Cl)c1CC(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875385066 LWVIYPORBMMVEX-UHFFFAOYSA-N 347.755 1.848 70 50 EDIA CCCNC(=O)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O 217591908 LRSIBZUYLGOETQ-HNNXBMFYSA-N 342.399 1.547 70 50 EDIA biogenic CC(=O)N1CCC(C(=O)N[C@@H]2COCC[C@@H]2OCC=C(C)C)CC1 218498106 LVPMQXGZEPIOFY-SJORKVTESA-N 338.448 1.501 70 50 EDIA Cc1nnc(CN2CCn3nc([C@H](O)c4ccccc4)cc3C2)o1 217024622 FVVBCCNSNQNWSY-QGZVFWFLSA-N 325.372 1.672 70 50 EDIA Cc1c(CNC(=O)Cc2ccc(S(=O)(=O)F)cc2)cnn1C 952879396 PLYUSKSWWBVFAX-UHFFFAOYSA-N 325.365 1.246 70 50 EDIA Cc1ccn(-c2ccccc2NC(=O)[C@H]2CCCN(C(N)=O)C2)n1 161168943 YVNWRECNQQOJBK-ZDUSSCGKSA-N 327.388 1.910 70 50 EDIA CC(C)N(C(=O)c1cncc(OS(=O)(=O)F)c1)[C@H]1CCOC1 1875382106 RAVYMFYXPQIHNB-NSHDSACASA-N 332.353 1.314 70 50 EDIA Cc1nc(O)cc(C2CCN(C(=O)c3n[nH]c(N)c3Cl)CC2)n1 218621268 UVXKRNGEQTVUBZ-UHFFFAOYSA-N 336.783 1.469 70 50 EDIA Cc1ccccc1[C@@H](C(=O)N1CCC2(CCC(=O)N2)CC1)N(C)C 217200105 DUABOCISSTYKIA-KRWDZBQOSA-N 329.444 1.869 70 50 EDIA COc1cc(Cl)cc2cc(C(=O)N3CC[C@@H](CO)[C@@H](O)C3)oc12 216973071 NFLKARLYTPSGIX-CABZTGNLSA-N 339.775 1.910 70 50 EDIA CNC(=O)c1ccc(CNC(=O)[C@@H]2CCCCN2C(=O)OC)cc1 218590507 CITSWUBVNBTOIY-AWEZNQCLSA-N 333.388 1.283 70 50 EDIA COc1cc([C@H](CC(N)=O)c2oc(C)cc(=O)c2O)cc2c1OCO2 217860059 WWAORAMJIPITRD-JTQLQIEISA-N 347.323 1.398 70 50 EDIA biogenic Cc1cccn2cc(CNC(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)nc12 217616034 SKBZECGJMIRDQW-UHFFFAOYSA-N 349.350 1.103 70 50 EDIA Cc1nc(N)sc1C(=O)NC1CCN(Cc2ccncc2)CC1 216989182 KIIJQLXQDHHGGS-UHFFFAOYSA-N 331.445 1.823 70 50 EDIA COC[C@H]1[C@@H](NC(=O)c2cc3cc(OC)ccc3[nH]2)[C@@H]2CCO[C@@H]21 218486767 LVPCADFFTKSXQV-PYTWLRIVSA-N 330.384 1.956 70 50 EDIA O=C(Nc1ccc(S(=O)(=O)F)cc1)c1cc2c(O)ncnc2cn1 685939859 LJODAIOLNJEVLH-UHFFFAOYSA-N 348.315 1.641 70 50 EDIA C[C@@H](Cn1cncn1)C(=O)N1CCN(c2nc3ccccc3o2)CC1 218210366 SJPSUJWCQKWLCL-ZDUSSCGKSA-N 340.387 1.404 70 50 EDIA CC1(C)NC(=O)N(CC(=O)NCc2ccc3ccccc3n2)C1=O 217947260 PCGUBOXYUUGDCI-UHFFFAOYSA-N 326.356 1.181 70 50 EDIA COc1ccc([C@H](CC(N)=O)c2oc(C)cc(=O)c2O)c(OC)c1 217708690 HAUOVTGKCPFHHT-LBPRGKRZSA-N 333.340 1.678 70 50 EDIA biogenic OC[C@H](O)c1cc2n(n1)CCN(Cc1c(F)cccc1Cl)C2 218759230 JNBTVLUTAFGHLB-HNNXBMFYSA-N 325.771 1.717 70 50 EDIA Nc1nc(N)nc(S[C@@H]2CCCN(c3ccccc3F)C2=O)n1 160443609 JYZHGZUAKJOPGF-SNVBAGLBSA-N 334.380 1.463 70 50 EDIA COc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CC2)cc1O 216896355 WXAFBWKTBGZPPN-CABCVRRESA-N 344.411 1.874 70 50 EDIA O=S(=O)(F)c1ccc(S(=O)(=O)N=c2cc[nH]cc2F)cc1 460091366 HOJCOPKVXCXCND-UHFFFAOYSA-N 334.325 1.102 70 50 EDIA Cc1n[nH]c(SCC(=O)N(C)Cc2nc(-c3ccncc3)no2)n1 218739559 LSJIDMMJFFXEMH-UHFFFAOYSA-N 345.388 1.309 70 50 EDIA CC[C@H](NC(C)=O)C(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1 876319676 HIPACOKLQREVLC-LBPRGKRZSA-N 334.344 1.478 70 50 EDIA COC(=O)CCNC(=O)c1c2c(nc3c1cnn3C(C)C)CCC2 218526892 FOXYVVASUXLSQJ-UHFFFAOYSA-N 330.388 1.794 70 50 EDIA O=C(CCn1cnnn1)NC[C@@H](c1ccccc1)N1CCCCC1 217034890 DZMCDONASMBAFF-INIZCTEOSA-N 328.420 1.407 70 50 EDIA Cn1cc([C@H](NC(=O)Cn2cnc3ccccc32)[C@H]2C[C@H](O)C2)cn1 218036072 ANFMGACYBAFJFN-UVBSCNOISA-N 339.399 1.398 70 50 EDIA CO[C@@H]1CCN(C(=O)c2cncc(OS(=O)(=O)F)c2)[C@H](C)C1 1875385354 REXAYAVYKVCRAT-MWLCHTKSSA-N 332.353 1.314 70 50 EDIA CCn1c(CCNC(=O)C[C@H]2C=CS(=O)(=O)C2)nc2ccccc21 218149984 FWAOUVAUHBFBCX-CYBMUJFWSA-N 347.440 1.663 70 50 EDIA Cc1ncc(C(=O)N[C@@H]2CCOC[C@H]2OCc2c(C)noc2C)cn1 218500484 DFRXTFBFNUOUMZ-HZPDHXFCSA-N 346.387 1.494 70 50 EDIA Cn1cnc(-c2ccc(NC(=O)N[C@H]3CCc4[nH]ncc4C3)cc2)n1 161374323 FIFWNNYIRZZJFU-AWEZNQCLSA-N 337.387 1.884 70 50 EDIA CC[C@H]1COCCN(C(=O)c2cncc(OS(=O)(=O)F)c2)C1 1875384816 IXKOHSALLHANBB-SNVBAGLBSA-N 332.353 1.173 70 50 EDIA CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@H]1C(=O)Nc1nnc[nH]1 218514899 BHBHRRHLEROGOD-GWCFXTLKSA-N 329.385 1.792 70 50 EDIA O=C(CN1CCC[C@H](O)C1)NCc1cnn(-c2cccc(F)c2)c1 217052480 JDENFVPHPGGYAZ-INIZCTEOSA-N 332.379 1.084 70 50 EDIA CN(C)[C@@H]1CCCN(Cc2ccc(OCCN3CCOCC3)cc2)C1 217044857 HKUYFISTPBWVGF-LJQANCHMSA-N 347.503 1.924 70 50 EDIA CN(C)c1nc(NCc2cnn3cccnc23)cc(C2CC(N)C2)n1 218055005 CXFIYXYLQWIYDW-UHFFFAOYSA-N 338.419 1.402 70 50 EDIA Cc1ccc(N(C)C(=O)c2cncc(OS(=O)(=O)F)c2)nn1 1875385566 WEWBZHDQYRLBTA-UHFFFAOYSA-N 326.309 1.050 70 50 EDIA O=C(N[C@@H](Cc1ccccn1)[C@H]1C[C@H](O)C1)c1cnc2cccnn12 218370100 ULFKMDQDAAIXLD-CFVMTHIKSA-N 337.383 1.236 70 50 EDIA C[C@@H](Cn1cncn1)C(=O)N(C)Cc1nnc(-c2ccccc2)o1 218225226 PJMIVBITFVJUTD-LBPRGKRZSA-N 326.360 1.623 70 50 EDIA O=C(Cc1nc2ccccc2[nH]1)N[C@@H]1CCOC[C@H]1OCC1CC1 218583305 VODZYQUJCACRGI-HZPDHXFCSA-N 329.400 1.806 70 50 EDIA O=C(NCc1ccnc(-n2cccn2)c1)N[C@H]1CCc2[nH]ncc2C1 159853402 UUFKCPZJCRKCSY-AWEZNQCLSA-N 337.387 1.347 70 50 EDIA Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)N1CCN(C)CC1 218540041 OHDIVWPGQAMCMT-HNNXBMFYSA-N 333.432 1.032 70 50 EDIA COc1cccc(N2C[C@H](NC(=O)c3cc(CO)ccn3)CC2=O)c1 218311210 ZLFHZUDDOVEUFV-CYBMUJFWSA-N 341.367 1.118 70 50 EDIA Cc1ccc2[nH]c(CCNC(=O)C[C@H]3C=CS(=O)(=O)C3)nc2c1 217994881 QCXMEBOYGPKHDC-GFCCVEGCSA-N 333.413 1.478 70 50 EDIA O=C(/C=C/c1ccccc1)N1CCCn2nc([C@H](O)CO)cc2C1 217164462 PXYFOCJGYNOZSY-IWAYRVGRSA-N 327.384 1.355 70 50 EDIA COc1ccccc1CNC(=O)CN1CCn2nc([C@@H](C)O)cc2C1 217012125 FSCRDOPNOYDBKR-CYBMUJFWSA-N 344.415 1.077 70 50 EDIA Cc1nc(CCNc2cc(C3CC(O)C3)ncn2)nc2c1CCC2 218197891 GGHYLKUEGUYUCU-UHFFFAOYSA-N 325.416 1.957 70 50 EDIA O=C(c1ccccc1N1CCOCC1)N1CCC[C@@H](c2nnc[nH]2)C1 217038497 MJYSTLDBHIUBMA-CQSZACIVSA-N 341.415 1.661 70 50 EDIA COc1cc(C(=O)N[C@@H]2COCC[C@H]2OCc2ccccn2)ccn1 218394022 SAXUPXAPLPVIQM-HZPDHXFCSA-N 343.383 1.589 70 50 EDIA Cc1nc(CCNC(=O)[C@@H](C)Cn2cccn2)nc2c1CCCC2 218055083 SQCFCYUYPSJMKI-ZDUSSCGKSA-N 327.432 1.855 70 50 EDIA O=C(CCN1CCCO1)N[C@@H]1COCC[C@@H]1OCc1ccccc1 218280379 OULCTNLVVUUYNC-SJORKVTESA-N 334.416 1.504 70 50 EDIA CN(C)C[C@@]1(O)CCCN(C(=O)c2cccc(N3CCOCC3)c2)C1 217538487 XMNKERUYFZLRHK-IBGZPJMESA-N 347.459 1.052 70 50 EDIA COc1cccc(SCC(=O)NCC2(CO)CCOCC2)c1 218764540 MVTXVHLXYVKHFU-UHFFFAOYSA-N 325.430 1.693 70 50 EDIA COc1cncc([C@@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@H]2C[C@H](O)C2)c1 218676071 MBDCVAWDJPQJQG-PPHDSNJXSA-N 342.399 1.933 70 50 EDIA C[C@H](CCO)NC(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 159619704 WFFRQKRDCVOUJB-OLZOCXBDSA-N 341.402 1.999 70 50 EDIA CN(CC(=O)NC[C@H]1OCCc2ccccc21)Cc1ccncc1 217118631 TVZQIESOGRBXDJ-GOSISDBHSA-N 325.412 1.944 70 50 EDIA Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1cccc(Oc2ncccn2)c1 218336121 DPWSQDXNQAUHEA-CYBMUJFWSA-N 339.355 1.601 70 50 EDIA Cc1cc(C)nc(NCC(=O)N2CCN(Cc3ccccc3)CC2)n1 218322574 IMUJUXUENGYMCQ-UHFFFAOYSA-N 339.443 1.850 70 50 EDIA Cc1c(C)c(C)c(S(=O)(=O)NC[C@@](C)(O)CN(C)C)c(C)c1C 161479292 QYBHQKPXYVXJGF-QGZVFWFLSA-N 342.505 1.820 70 50 EDIA COC(=O)[C@H](CC(C)C)NC(=O)Cn1nc2c(cc1=O)CCCCC2 218275158 PVUHTQUVKDTLDG-HNNXBMFYSA-N 349.431 1.216 70 50 EDIA Cc1ccccc1N1CCN(c2cc(C3CC(N)C3)nc(N)n2)CC1 218103764 WCCCRZYHYIBYGC-UHFFFAOYSA-N 338.459 1.899 70 50 EDIA Cc1nn(C)c(C)c1OCC(=O)NCc1ccccc1-n1ccnc1 160976533 BTTSGQCBFLUOFM-UHFFFAOYSA-N 339.399 1.918 70 50 EDIA O=C(CN(Cc1ccc(OS(=O)(=O)F)cc1)C1CC1)NC1CC1 1875387792 XQAFTXDARIASJN-UHFFFAOYSA-N 342.392 1.523 70 50 EDIA Cc1nc(N)ncc1C(=O)NCc1nn(C)c2cccc(Cl)c12 218214182 DTIJRWXFAIITIT-UHFFFAOYSA-N 330.779 1.837 70 50 EDIA CN(CC(=O)N1CCC[C@@]2(CC1)CNC(=O)O2)Cc1cccnc1 217339234 WWUWUICMEHQUBM-QGZVFWFLSA-N 332.404 1.005 70 50 EDIA Cc1nc2ccccn2c1CN(C)C(=O)C[C@@H]1C=CS(=O)(=O)C1 218636752 LQEBKJZFGBBOLR-ZDUSSCGKSA-N 333.413 1.550 70 50 EDIA O=S(=O)(F)c1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H](F)C2)cc1 1776007619 PRMRLKGFEPTGQR-NXEZZACHSA-N 339.385 1.904 70 50 EDIA COc1ccccc1CC(=O)N1CCCn2nc([C@H](C)O)cc2C1 217081995 IGIOLNFONLRAKG-ZDUSSCGKSA-N 329.400 1.920 70 50 EDIA O=C(NCCc1cc2ccccc2[nH]1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 159674309 HKEQLDNXHSKNBL-CYBMUJFWSA-N 337.383 1.603 70 50 EDIA Cn1nccc1[C@H](O)c1cc2n(n1)CCN(c1ncc(Cl)cn1)C2 218271275 BOOKMRCOJWDLMI-CQSZACIVSA-N 345.794 1.162 70 50 EDIA Cc1ccc2c(c1)c(C(=O)N1CCCn3nc(CO)cc3C1)nn2C 217199226 KHOJFFKPYNAOPG-UHFFFAOYSA-N 339.399 1.617 70 50 EDIA CN1CCC(C(=O)NCCc2nncn2C)(c2ccccc2)CC1 218569207 ZOMQNFXHCYHPJT-UHFFFAOYSA-N 327.432 1.137 70 50 EDIA CC[C@@H](C(=O)NCc1nc(-c2ccccc2)n[nH]1)N1CCOCC1 218379003 PUOYLQPZKWFAOK-AWEZNQCLSA-N 329.404 1.199 70 50 EDIA O=C1CC[C@@H]2CN(c3nccs3)CC[C@@H]2N1CCc1cnc[nH]1 216998764 MFCRJYTXMBSVTM-OCCSQVGLSA-N 331.445 1.926 70 50 EDIA NC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCOC2(CCCC2)C1 159376532 YMQXLYQBEOLKQX-HZPDHXFCSA-N 345.443 1.874 70 50 EDIA Cc1nnnn1CCC(=O)NCc1csc(Cc2ccccc2)n1 217118956 GHHWFZWAMSQXPH-UHFFFAOYSA-N 342.428 1.735 70 50 EDIA Cc1nc(N)ncc1C(=O)NCCn1nc(C(F)(F)F)cc1C 218502670 CNQSGIHVYGFMAC-UHFFFAOYSA-N 328.298 1.321 70 50 EDIA CC[C@H]1CN(C(=O)c2cncc(OS(=O)(=O)F)c2)[C@H](C)CO1 1875383757 AMBQBXOJXSFOPZ-KOLCDFICSA-N 332.353 1.314 70 50 EDIA COc1ccccc1CNC(=O)CN1CCn2nc([C@H](C)O)cc2C1 217012173 FSCRDOPNOYDBKR-ZDUSSCGKSA-N 344.415 1.077 70 50 EDIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)[C@H]1CCn2cnnc2C1 1875387843 ABQFZRZKNBISHP-VIFPVBQESA-N 340.336 1.072 70 50 EDIA O=C(COC[C@@H]1CCCCO1)N1CCOc2ccc(CO)cc2C1 217444929 RBWMYDSLAOBMHJ-INIZCTEOSA-N 335.400 1.486 70 50 EDIA COc1cc2c(cc1C(=O)N1CCCn3nc(CO)cc3C1)CCC2 217442231 AFVRIPUVSVYTJQ-UHFFFAOYSA-N 341.411 1.919 70 50 EDIA CC(C)Nc1ncc(C(=O)N2CCCn3nc([C@@H](C)O)cc3C2)cn1 217647425 UMGONDUFEXKTSH-GFCCVEGCSA-N 344.419 1.593 70 50 EDIA OC[C@H](O)c1cc2n(n1)CCN(c1nccc(C3CCCC3)n1)C2 216953717 OCCMQZKMNPPGQN-INIZCTEOSA-N 329.404 1.377 70 50 EDIA Cc1cccc2[nH]c(COCC(=O)N[C@@H](C)c3cnn(C)c3)nc12 217193772 SPYNKIKXWAQREY-LBPRGKRZSA-N 327.388 1.999 70 50 EDIA Cc1cccc2[nH]c(COCC(=O)N(C)C[C@@H]3COCCO3)nc12 217442515 KKXWQJYRUCUCCM-CYBMUJFWSA-N 333.388 1.262 70 50 EDIA CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@H]1C(=O)Nc1nnc[nH]1 218514820 BHBHRRHLEROGOD-GXFFZTMASA-N 329.385 1.792 70 50 EDIA O=C(Cc1ccc(O)c(Cl)c1)N[C@H]1COC[C@@H]1N1CCCCC1 218224308 XXGZXRACQIDKGI-GJZGRUSLSA-N 338.835 1.958 70 50 EDIA Cc1nc(N)ncc1C(=O)NC[C@H]1CCCN(c2ccccn2)C1 218233336 KDKQHEAWFOUDST-CYBMUJFWSA-N 326.404 1.409 70 50 EDIA Cc1nn(C)c(C)c1S(=O)(=O)NC(=O)[C@@H]1OCCc2ccccc21 160030006 RJUROCHLTPKWKS-CQSZACIVSA-N 349.412 1.156 70 50 EDIA Nc1nc(N)nc(S[C@H]2CCCN(c3ccccc3F)C2=O)n1 160443485 JYZHGZUAKJOPGF-JTQLQIEISA-N 334.380 1.463 70 50 EDIA CNC[C@H]1CCCN1C(=O)c1cc(CS(C)(=O)=O)c(C)s1 161264108 XSNLCWACBSDEKA-GFCCVEGCSA-N 330.475 1.425 70 50 EDIA O=C1CC[C@@H]2CN(c3ncccn3)CC[C@@H]2N1CCCn1ccnc1 216894243 GTLLNMTVXXEISF-CVEARBPZSA-N 340.431 1.581 70 50 EDIA Cn1nccc1[C@H](O)c1cc2n(n1)CCN(C(=O)CC1=CCCC1)C2 218307260 RNTWTKHXKIQASV-GOSISDBHSA-N 341.415 1.541 70 50 EDIA Cn1cc([C@H](NC(=O)c2cc(C(F)(F)F)n[nH]2)C2CC(O)C2)cn1 218779005 XWNBSAGDEXZOBC-YHBRXECLSA-N 343.309 1.404 70 50 EDIA Cc1ccc(C)n1CC(=O)N1CCN(CCc2ccccn2)CC1 218606876 FOOYPCDQRLAKEK-UHFFFAOYSA-N 326.444 1.887 70 50 EDIA Cc1cc2c(c(=O)o1)[C@H](c1ccc3c(c1)n(C)c(=O)n3C)CC(=O)O2 217954766 PMXGYYGJQYJEAW-NSHDSACASA-N 340.335 1.580 70 50 EDIA biogenic C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O 159850911 KNLGDMBXGTVYPT-ZLIFDBKOSA-N 339.395 1.971 70 50 EDIA O=C(c1nnn(-c2ccccc2)c1C(F)(F)F)N1CCNCC1 159389010 FGAHIRDVKHDWDN-UHFFFAOYSA-N 325.294 1.332 70 50 EDIA OC[C@@H](O)c1cc2n(n1)CCN(c1nccc(C3CCCC3)n1)C2 216953698 OCCMQZKMNPPGQN-MRXNPFEDSA-N 329.404 1.377 70 50 EDIA COc1ccc(C(=O)N[C@@H](c2cnn(C)c2)C2CC(O)C2)cc1O 218028573 RUGGMSYDQIDEGU-IJGSQOGDSA-N 331.372 1.376 70 50 EDIA O=C(C[C@@H]1C=CS(=O)(=O)C1)NCc1nc(-c2ccccc2)n[nH]1 217123180 HSOIXMAWUUBKFJ-NSHDSACASA-N 332.385 1.036 70 50 EDIA COc1cccc([C@@H]2CCN(C(=O)Cn3nc(C)cc3N)C2)c1OC 217506997 HOVJMWFCFHJITO-CYBMUJFWSA-N 344.415 1.807 70 50 EDIA CCNC(=O)N1CCC(NC(=O)[C@@H]2Cc3cc(C)ccc3N2)CC1 218713622 IMVTYKVLLXVOII-INIZCTEOSA-N 330.432 1.642 70 50 EDIA Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1c(Cl)nc2sccn12 218221470 JXTVSCAWQYUMMA-ZCFIWIBFSA-N 325.781 1.381 70 50 EDIA O=C(CCn1cncn1)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 217187950 NBHXSHVBBRCPQS-MSOLQXFVSA-N 339.443 1.791 70 50 EDIA Cc1cc(S(N)(=O)=O)cc(C(=O)N(C)C[C@H]2CCOC2)c1C 161403051 GDHXSRQXSDAGQT-GFCCVEGCSA-N 326.418 1.059 70 50 EDIA O=C(CCCN1Cc2ccccc2C1)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 217058229 YKYFJUVMUPWGKB-SEXKYXSUSA-N 344.455 1.373 70 50 EDIA CC1(C)NC(=O)N(CC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)C1=O 218053410 TWIDSWMFTVAWFZ-MYPMTAMASA-N 349.431 1.027 70 50 EDIA CN(C[C@@]1(C)CCCO1)C(=O)c1cncc(OS(=O)(=O)F)c1 1875385346 REUUMSQZBJDWLB-CYBMUJFWSA-N 332.353 1.316 70 50 EDIA CCn1cc(N(CCS(=O)(=O)F)Cc2ccc(C)cn2)cn1 1875382728 NZNUBKHXIYCYGJ-UHFFFAOYSA-N 326.397 1.912 70 50 EDIA Cc1cnc2c(Cl)c(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3N(C)C)nn2c1 218366023 BKTJPFHYSJCUBK-QEGRKFQGSA-N 349.822 1.138 70 50 EDIA COc1ccc(C2(C(=O)N3CCn4nc(CO)cc4C3)CC2)cc1 217185301 SMUKTUVPOZWXTR-UHFFFAOYSA-N 327.384 1.458 70 50 EDIA O=C1CCCCCN1CCC(=O)N1CCC(c2ccncn2)CC1 217853618 LFDZBHQKDUXKIB-UHFFFAOYSA-N 330.432 1.975 70 50 EDIA CO[C@H]1C[C@@H](CNS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1 1776007832 ZQPRPFHRGAKHLA-AOOOYVTPSA-N 337.394 1.048 70 50 EDIA CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)Cl)cc2)C1=O 100649842 CMCDYKBZRMESKA-UHFFFAOYSA-N 337.806 1.317 70 50 EDIA CSCc1noc(CNC(=O)c2cc(C(C)(C)C)nc(=O)[nH]2)n1 218662066 KTKBYBDARATMOZ-UHFFFAOYSA-N 337.405 1.243 70 50 EDIA Cn1c([C@@H]2CCCN(C(=O)CN3CCOC3=O)C2)nc2ccccc21 217718312 GJVRDPSHPRUCKC-CYBMUJFWSA-N 342.399 1.732 70 50 EDIA Cc1[nH]c2c(c1C(=O)NCCc1nncn1C(C)C)C(=O)CCC2 218522040 XJVIJBUKNQFPLQ-UHFFFAOYSA-N 329.404 1.987 70 50 EDIA CCn1c(CCNC(=O)C[C@@H]2C=CS(=O)(=O)C2)nc2ccccc21 218149925 FWAOUVAUHBFBCX-ZDUSSCGKSA-N 347.440 1.663 70 50 EDIA Cc1ccc2[nH]c(CCNC(=O)C[C@@H]3C=CS(=O)(=O)C3)nc2c1 217994792 QCXMEBOYGPKHDC-LBPRGKRZSA-N 333.413 1.478 70 50 EDIA O=C(Cn1ccc(=O)c2ccccc21)NCCSc1cnn[nH]1 218615582 PCFYKYYTFHLRSU-UHFFFAOYSA-N 329.385 1.028 70 50 EDIA O=C(CCOc1ccccc1)N1CCCn2nc([C@@H](O)CO)cc2C1 217534293 HDMGPSKOZBZOPX-KRWDZBQOSA-N 345.399 1.110 70 50 EDIA Cc1cc(C[C@@H](C)NC(=O)Nc2cnn(-c3ncccn3)c2)n[nH]1 161100171 UGQCXWHJIUIKEB-SNVBAGLBSA-N 326.364 1.447 70 50 EDIA Cc1nn2cc(CNC(=O)COCC(F)(F)C(F)F)nc2s1 218622153 VZJMCTKBIXGDOZ-UHFFFAOYSA-N 340.302 1.632 70 50 EDIA Cc1cc(=O)cc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)C2)o1 218439951 DUFORERWNYACJO-CQSZACIVSA-N 326.352 1.479 70 50 EDIA C[C@H]1[C@@H](C)SCCN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875384341 FLIDXVRHEXPWLA-DTWKUNHWSA-N 334.394 1.641 70 50 EDIA CN(CC(=O)NCCc1noc([C@@H]2CCCO2)n1)Cc1ccncc1 217553941 NKXGZLFVKBJTNB-AWEZNQCLSA-N 345.403 1.107 70 50 EDIA O=C(Cn1cnc2ccsc2c1=O)Nc1n[nH]c(C(F)(F)F)n1 218222805 WOGYBQPKWIGKCC-UHFFFAOYSA-N 344.278 1.234 70 50 EDIA CCNc1nc(C)c(C(=O)N2CCN(C3CCOCC3)CC2)s1 218042133 VFIVLMGXMROQDL-UHFFFAOYSA-N 338.477 1.820 70 50 EDIA O=C(CCc1cc(Cl)no1)N1CCCO[C@H](Cn2cccn2)C1 218503809 IETPFKPIMRPIPN-ZDUSSCGKSA-N 338.795 1.775 70 50 EDIA O=C(CCN1CCCO1)N[C@@H]1CCOC[C@H]1OCc1ccccc1 218512171 KREKCDDUTWSKMS-IAGOWNOFSA-N 334.416 1.504 70 50 EDIA CN1C[C@@]2(CCCN(C(=O)CCc3nc4ccccc4[nH]3)C2)OC1=O 217479090 OVVPPFZQFJWONM-GOSISDBHSA-N 342.399 1.939 70 50 EDIA O=C(c1ccc(Cn2ccnc2)o1)N1CCCn2nc(CO)cc2C1 216914201 QPISMJZSOKRXRT-UHFFFAOYSA-N 341.371 1.259 70 50 EDIA CS(=O)(=O)NCCC(=O)N1CCOc2ccc(Cl)cc2C1 218113645 SLAHXKLZRNBKAK-UHFFFAOYSA-N 332.809 1.000 70 50 EDIA O=S(=O)(N[C@@H]1CCN(c2ccccn2)C1)c1cccc(F)c1F 159379862 BWYBMNFLEQFEOW-LLVKDONJSA-N 339.367 1.917 70 50 EDIA C[C@@H](O)c1cc2n(n1)CCN(Cc1cc(C(N)=O)oc1C(C)(C)C)C2 217735608 BDOWEWFKFBWPKI-LLVKDONJSA-N 346.431 1.942 70 50 EDIA O=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1nccnc1O 217995982 NLLWYOBDNLQYIP-ZIAGYGMSSA-N 329.356 1.286 70 50 EDIA CC[C@@H](O)c1cc2n(n1)CCN(Cc1nc3ccsc3c(=O)[nH]1)C2 217826616 BIGLRMHZRWSYCY-CYBMUJFWSA-N 345.428 1.640 70 50 EDIA CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1nc2ccccc2n1C 218560210 AURYXCNDHUNXIN-WBMJQRKESA-N 328.416 1.865 70 50 EDIA Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)NCCCO)n1 218250856 DBSZEAAVVUIQBA-INIZCTEOSA-N 328.416 1.615 70 50 EDIA Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1c(C)ncn1C 218593924 LWGZBEGHDKJUHS-HUUCEWRRSA-N 348.403 1.437 70 50 EDIA COc1ccc(C(=O)N[C@@H]2C[C@@H]3OCC[C@@H]32)cc1N1CCOCC1 217172502 JDJRVCSOWJMRBF-CPUCHLNUSA-N 332.400 1.439 70 50 EDIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1c(F)cc(OC)cc1F 218749296 KRPVLNPEAAUNBW-RZCHIYRCSA-N 327.327 1.753 70 50 EDIA COC(=O)c1scc(S(=O)(=O)C(C)C)c1S(=O)(=O)Cl 95676431 FHFIRKJBLQUUAD-UHFFFAOYSA-N 346.835 1.644 70 50 EDIA COc1cncc([C@@H](NC(=O)c2n[nH]c3c2CCC3)[C@H]2C[C@H](O)C2)c1 218546552 ISDKRVQHQLXBCB-IETSOEAISA-N 342.399 1.544 70 50 EDIA CCS(=O)(=O)C[C@H](C)NC(=O)N1CCC(c2ccn[nH]2)CC1 159913121 WLYXDJSBFVGQOM-NSHDSACASA-N 328.438 1.122 70 50 EDIA C[C@H](Cn1cncn1)C(=O)N(C)Cc1nnc(-c2ccccc2)o1 218225301 PJMIVBITFVJUTD-GFCCVEGCSA-N 326.360 1.623 70 50 EDIA COC[C@H]1[C@@H](NC(=O)CCNC(=O)c2ccc(C)cc2)[C@@H]2CCO[C@@H]21 218731872 SUPOEFFPVHEDNV-LAQRGFTBSA-N 346.427 1.281 70 50 EDIA Cc1ccnn1CCC(=O)N1CCC2(CC1)CN(C)CCCN2C 217733002 RIDKPHPNRWPRFD-UHFFFAOYSA-N 333.480 1.210 70 50 EDIA O=C(c1cccc(Cn2cccn2)c1)N1CCn2nc(CO)cc2C1 217921752 RQCHFZHOGHWVNA-UHFFFAOYSA-N 337.383 1.276 70 50 EDIA Cc1cc(C)nc(-n2cc(C(=O)N3CCNCC3)c(C(C)C)n2)n1 159378238 PQTAJPJVZZTODF-UHFFFAOYSA-N 328.420 1.448 70 50 EDIA CC(C)N1C[C@H](NC(=O)N2CCN(c3ccccc3F)CC2)CC1=O 217289047 JZSJGHAVXMDSOZ-CQSZACIVSA-N 348.422 1.667 70 50 EDIA CS(=O)(=O)c1cc(C(=O)N2CC[C@@H](N)C2)c(Cl)cc1Cl 160198230 PPWYMDKJFIHVMZ-SSDOTTSWSA-N 337.228 1.570 70 50 EDIA CC(C)c1nnnn1CC(=O)Nc1ccc(S(=O)(=O)F)cc1 122999160 MSOJQEUFBQPMIW-UHFFFAOYSA-N 327.341 1.093 70 50 EDIA O=C(NCc1n[nH]c(=O)[nH]1)c1ccccc1OCCc1ccccc1 217055292 SOBZDXDKSPWSIK-UHFFFAOYSA-N 338.367 1.650 70 50 EDIA OCc1cc2n(n1)CCN(C1CCN(CCc3ccccc3)CC1)C2 217579645 ZOCZWSCZMQLECF-UHFFFAOYSA-N 340.471 1.898 70 50 EDIA CC(C)C[C@@H](NC(=O)c1nc2ccccc2[nH]c1=O)c1ncnn1C 218756183 VSBGKQLMKKYXOB-CYBMUJFWSA-N 340.387 1.569 70 50 EDIA COc1cc(NC(=O)[C@@H]2CCCN2C(C)=O)ccc1S(=O)(=O)F 2325893076 DMUAPOMIZDWTGQ-NSHDSACASA-N 344.364 1.303 70 50 EDIA O=C(COc1cccnc1)NC[C@@H]1CCCN(c2ncccn2)C1 218467770 YZHGZAMGHKOWAA-AWEZNQCLSA-N 327.388 1.283 70 50 EDIA Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1cc2ccccc2nc1N(C)C 218181732 YALIVWJIOMWJQU-LBPRGKRZSA-N 339.399 1.633 70 50 EDIA CCCOCC(=O)N1CCn2nc([C@@H](O)Cc3ccccc3)cc2C1 218603417 OLWPHHURSQVHSQ-SFHVURJKSA-N 343.427 1.928 70 50 EDIA CO[C@@H]1CCOC[C@H]1NS(=O)(=O)c1cc2ccccc2s1 217420335 QLOURKYNRSLGKD-VXGBXAGGSA-N 327.427 1.984 70 50 EDIA CN(C)CCCOc1ccccc1CN1CCN2CCN(C)C[C@@H]2C1 217067310 BPQCBJOIXRNIDE-LJQANCHMSA-N 346.519 1.449 70 50 EDIA CCCc1nnsc1C(=O)NCCc1noc([C@@H]2CCCO2)n1 218125314 HOGUTDWVHPYVIO-JTQLQIEISA-N 337.405 1.698 70 50 EDIA C[C@@H]1SCCN(C(=O)c2cncc(OS(=O)(=O)F)c2)[C@H]1C 1875384342 FLIDXVRHEXPWLA-IUCAKERBSA-N 334.394 1.641 70 50 EDIA COc1ccc([C@@H](CC(N)=O)c2oc(C)cc(=O)c2O)c(OC)c1 217708766 HAUOVTGKCPFHHT-GFCCVEGCSA-N 333.340 1.678 70 50 EDIA biogenic CN1C[C@]2(CCN(C(=O)CC3=CSC4=NCCCN34)C2)OC1=O 217667345 OHYOLLWEKAELHQ-HNNXBMFYSA-N 336.417 1.080 70 50 EDIA COCc1cc(CNC(=O)[C@@H](c2ccc3c(c2)OCO3)N(C)C)n[nH]1 218191714 FHOYIWKNORBYIE-MRXNPFEDSA-N 346.387 1.204 70 50 EDIA COc1cccc(-n2cc(CN(C)C(=O)Cc3c[nH]cn3)cn2)c1 217070859 ISEUKQICGLDWNI-UHFFFAOYSA-N 325.372 1.805 70 50 EDIA Cc1cc(C(=O)NC2CCN(S(=O)(=O)F)CC2)ccc1[N+](=O)[O-] 1875370939 JJXJWHLCZZDYPL-UHFFFAOYSA-N 345.352 1.312 70 50 EDIA O=C(N[C@H]1CCO[C@@H](C2CC2)C1)N1CCOCC2(CCOCC2)C1 160365223 WWTYQICTIJVYPY-JKSUJKDBSA-N 338.448 1.783 70 50 EDIA CN(Cc1nc2ccccc2c(=O)[nH]1)c1cc(C2CC(N)C2)ncn1 218698564 CCRIOOWOZPFTGW-UHFFFAOYSA-N 336.399 1.554 70 50 EDIA