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UYRPKNDOVXCSRI-CYBMUJFWSA-N 292.383 0.826 70 50 CCIA Cc1ncsc1CCNC(=O)CCn1cnnn1 217052845 WPYHAPDFUHNUHN-UHFFFAOYSA-N 266.330 0.187 70 50 CCIA O=C(CCNC(=O)c1ccccc1F)N[C@@H]1CCOC1 217157349 UAVWJVXJUVOXNH-SNVBAGLBSA-N 280.299 0.851 70 50 CCIA O=C(NCc1ccccc1OCCO)[C@H]1CSCN1 161248435 CQOHDAXIFOHYKF-LLVKDONJSA-N 282.365 0.336 70 50 CCIA CCCN1C(=O)N[C@@H](CC(=O)N(C)Cc2ncc[nH]2)C1=O 217034718 OUTADHNCXSZVQL-VIFPVBQESA-N 293.327 0.089 70 50 CCIA COc1ccccc1N1CC[C@H](NC(=O)[C@H](C)OC)C1=O 161240037 JEPYTOIFKAYXLG-QWRGUYRKSA-N 292.335 0.952 70 50 CCIA COc1ccnc(CNC(=O)CN2C[C@H](C)O[C@H](C)C2)c1 218079560 YWZMHJULUOQRIS-TXEJJXNPSA-N 293.367 0.816 70 50 CCIA CSCC[C@H](O)C(=O)NCCCc1ncc[nH]1 218553828 FQOKVEXUVNNMDV-VIFPVBQESA-N 257.359 0.573 70 50 CCIA C[C@@H](CO)NC(=O)C1CCN(c2ccc(Cl)nn2)CC1 218152948 YLAFMJUXBITKQZ-VIFPVBQESA-N 298.774 0.843 70 50 CCIA CCc1noc([C@@H]2CCCN2C(=O)CN2CCOC2=O)n1 217044774 DELWTXZDDLMWEJ-VIFPVBQESA-N 294.311 0.748 70 50 CCIA CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCl)[C@H](O)C1 115588447 UBGMINDIOJNYHW-DTWKUNHWSA-N 292.763 0.712 70 50 CCIA COC(=O)N[C@H](C)C(=O)NCC1(Cn2cccn2)CC1 218663762 KABRJSUKOPQXIJ-SNVBAGLBSA-N 280.328 0.524 70 50 CCIA CNC(=O)c1cccc(NC2=CC(=O)N(C(C)=O)C2)c1 218615727 QFWVYTIYOGHJTG-UHFFFAOYSA-N 273.292 0.731 70 50 CCIA COC[C@@H](O)CNC(=O)c1cccc(-n2cncn2)c1 159453489 ZGSVOTBKVPUGIW-LBPRGKRZSA-N 276.296 0.004 70 50 CCIA CN(CCc1cnn(C)c1)C(=O)c1ccc(CO)o1 217509291 NGNPDVWPCGNCFL-UHFFFAOYSA-N 263.297 0.820 70 50 CCIA O=C(N[C@@H]1CCOc2ccccc21)[C@H]1C[C@@H](O)CN1 217855407 BSDHOOLTQBRIQV-YUSALJHKSA-N 262.309 0.349 70 50 CCIA CCCCNC(=O)C1CCN(S(=O)(=O)F)CC1 1875373448 BCHWKFCZUBBSFJ-UHFFFAOYSA-N 266.338 0.829 70 50 CCIA O=C(CCCc1nc2ccccc2c(=O)[nH]1)NCCO 218150008 BHCFNJGELJTSLC-UHFFFAOYSA-N 275.308 0.354 70 50 CCIA Cc1conc1NC(=O)C(=O)N1C[C@H](C)O[C@H](C)C1 160287673 NBGSVKABZWZVIF-DTORHVGOSA-N 267.285 0.557 70 50 CCIA O=C(N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1cnn[nH]1 218259449 LSTWVGHHCPNFSS-DLOVCJGASA-N 287.323 0.312 70 50 CCIA CC(C)(C)OC(=O)N1CCO[C@@H](CS(=O)(=O)F)C1 407985641 BRMSILWBYYTXPF-MRVPVSSYSA-N 283.321 0.922 70 50 CCIA O=C(CN1CCn2nc(CO)cc2C1)N1CCCCCC1 217413503 QLSINGLAJRYRJV-UHFFFAOYSA-N 292.383 0.594 70 50 CCIA CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1cc[nH]n1 159464259 ZALPGRIDJCHUNL-LBPRGKRZSA-N 286.401 0.704 70 50 CCIA Cc1nonc1CC(=O)N(C)C[C@H]1CCCCO1 217758968 KIKCRGZCFYDOMF-SNVBAGLBSA-N 253.302 0.948 70 50 CCIA CC(C)c1cc(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)n[nH]1 159698158 RQMGULIQFYKWKP-CHWSQXEVSA-N 278.356 0.688 70 50 CCIA O=S(=O)(F)N1CCN(Cc2ccc3c[nH]nc3c2)CC1 1776004122 KBOJZQZRUWFEOS-UHFFFAOYSA-N 298.343 0.895 70 50 CCIA Cc1ccc(F)cc1C(=O)NCCc1noc(CO)n1 218612256 VJFNAEOENOPTNT-UHFFFAOYSA-N 279.271 0.982 70 50 CCIA COc1ccc(C(=O)N(C)CCc2ncon2)c(OC)n1 217181697 SLRCBBBEBWXNKB-UHFFFAOYSA-N 292.295 0.797 70 50 CCIA CN(CC(=O)NCc1ccncn1)Cc1ccncc1 218524577 VWRNVFWLNMROQW-UHFFFAOYSA-N 271.324 0.620 70 50 CCIA Cc1cc(C(=O)NCCc2ccncc2)nc(N)n1 217420924 BCGKTJOIBIJCEJ-UHFFFAOYSA-N 257.297 0.735 70 50 CCIA C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1)c1ccc(F)c(F)c1 217771412 OOYOBXMUKVWPIW-VMAXQDLPSA-N 270.279 0.865 70 50 CCIA CCc1n[nH]c(SCC(=O)NCc2cnn(CC)c2)n1 217185803 DMCZMYVUHLYXFO-UHFFFAOYSA-N 294.384 0.992 70 50 CCIA Cc1cnc(C(=O)N2CC[C@@]3(CN(C)C(=O)O3)C2)cn1 217049756 HYXDIBFYIBSDOH-CYBMUJFWSA-N 276.296 0.452 70 50 CCIA O=S(=O)(Cl)c1cccnc1N1CCOCC1 95681616 NSLLLGGMRRRBFX-UHFFFAOYSA-N 262.718 0.846 70 50 CCIA COCc1cc(CNC(=O)COC[C@@H]2CCCCO2)n[nH]1 218643261 YLMSSCRWLBABQO-ZDUSSCGKSA-N 297.355 0.758 70 50 CCIA Cc1nnc(CCNC(=O)CCn2cncn2)s1 217498554 CTKKHDMBNVGYOR-UHFFFAOYSA-N 266.330 0.187 70 50 CCIA O=C(Cc1ccccc1O)N[C@@H]1CCOC[C@H]1OCCO 218236978 IIKTWQOPCXPIFB-TZMCWYRMSA-N 295.335 0.217 70 50 CCIA COCc1nc(CNC(=O)c2ncccc2O)no1 218294671 PSCZWTNIPCUJSD-UHFFFAOYSA-N 264.241 0.247 70 50 CCIA N#Cc1ccc(OC2CN(S(=O)(=O)F)C2)cc1 1875375042 OVSGXYJAXMHPDB-UHFFFAOYSA-N 256.258 0.836 70 50 CCIA CSCC[C@@H](O)C(=O)NCCc1cc(O)nc(C)n1 218428692 CGFYIQUUUFHABU-SNVBAGLBSA-N 285.369 0.263 70 50 CCIA Cc1cc(N)n(CC(=O)N[C@H](C)CCn2cccn2)n1 217634854 LASDOAXMXKBUMA-SNVBAGLBSA-N 276.344 0.565 70 50 CCIA c1cncc(CN2CCN(C[C@@H]3[C@H]4CNC[C@H]43)CC2)c1 217559589 JWIPPVACEYGONI-ZSHCYNCHSA-N 272.396 0.665 70 50 CCIA CC(C)c1cc(C(=O)N2C[C@@H]3OCCN(C)[C@@H]3C2)n[nH]1 159698451 RQMGULIQFYKWKP-OLZOCXBDSA-N 278.356 0.688 70 50 CCIA Cn1cc(CN(C(=O)c2ccc(=O)[nH]c2)C2CC2)cn1 218336833 URLUQBBEDITMPN-UHFFFAOYSA-N 272.308 0.913 70 50 CCIA Cc1cc(C[C@@H](C)NC(=O)CCn2nnnc2C)[nH]n1 218426472 XIQLLLSPEKIKGM-MRVPVSSYSA-N 277.332 0.151 70 50 CCIA CC(=O)N1CCN(c2cc(C3CC(O)C3)ncn2)CC1 218767023 KMHGPZQQRMHJGC-UHFFFAOYSA-N 276.340 0.383 70 50 CCIA CSCC[C@H](O)C(=O)NCCc1cccnc1 217539853 FTVKWPRHLBQJHB-NSHDSACASA-N 254.355 0.854 70 50 CCIA O=C(NCCc1n[nH]c(=O)[nH]1)[C@@H](O)c1ccccc1Cl 217073714 JGPGEGYBPQALFV-JTQLQIEISA-N 296.714 0.144 70 50 CCIA COc1cc(C(=O)n2oc(N)cc2=O)cc(OC)c1OC 216626438 LECRLYZFWHFNPP-UHFFFAOYSA-N 294.263 0.738 70 50 CCIA biogenic Cc1cc(=O)cc(C(=O)N[C@H]2C[C@H]3CN(C)CCN3C2)o1 217545265 LKMYWBNJZYXIPS-RYUDHWBXSA-N 291.351 0.066 70 50 CCIA N#C[C@H]1COCCN1C(=O)c1cccc(S(=O)(=O)F)c1 952884900 QACPBSQOJJFPHA-JTQLQIEISA-N 298.295 0.709 70 50 CCIA CC(=O)N1CC(Nc2ccc3c(c2)OCC(=O)N3)=CC1=O 218608426 DOJLGJSGLWVQJA-UHFFFAOYSA-N 287.275 0.702 70 50 CCIA O=C1N[C@H](CS(=O)(=O)Cl)CCCC1(F)F 1535644621 JRQAVOBTCNXPRC-YFKPBYRVSA-N 261.677 0.859 70 50 CCIA O=C(C1CCOCC1)N1CCC[C@@H](S(=O)(=O)F)C1 1615002102 HQEYXKVSNCYEEZ-SNVBAGLBSA-N 279.333 0.703 70 50 CCIA O=C1[C@H]2[C@@]34C=CC=C[C@@]23C=C[C@H]4N1S(=O)(=O)Cl 216359288 PCFDZBGMSCESMU-OYBPUVFXSA-N 269.709 0.979 70 50 CCIA Cc1nonc1CC(=O)N(C)C[C@@H]1CCCCO1 217758873 KIKCRGZCFYDOMF-JTQLQIEISA-N 253.302 0.948 70 50 CCIA C[C@H](c1ccncc1)N(C)C(=O)CNC(=O)N(C)C 217533329 LEANLQQAFONPSS-SNVBAGLBSA-N 264.329 0.872 70 50 CCIA Cc1nc(NC(=O)[C@H]2CCCN(c3ncccn3)C2)n[nH]1 218315710 YBBWUPYTLNOGBU-JTQLQIEISA-N 287.327 0.758 70 50 CCIA C[C@H](c1ccncc1)N(C)C(=O)c1cn(C)c(=O)[nH]c1=O 217531948 KRGHHKCYFPTQCP-SECBINFHSA-N 288.307 0.302 70 50 CCIA CN(C)S(=O)(=O)c1ccc(CCS(=O)(=O)F)cc1 1776006694 ZDHOSNSWIPVCFB-UHFFFAOYSA-N 295.357 0.779 70 50 CCIA N[C@@H]1CCN(C(=O)c2cnn(-c3ccc(F)cc3)n2)C1 160256995 YSEXQMFLGMJJES-SNVBAGLBSA-N 275.287 0.580 70 50 CCIA CN1CC(=O)Oc2ccc(S(=O)(=O)Cl)cc21 142186129 LWKHPZZELRZIEV-UHFFFAOYSA-N 261.686 0.969 70 50 CCIA C[C@H](C1CCN(C(=O)c2c[nH]c(=O)[nH]2)CC1)N(C)C 217492278 SZFAXUZEZFNRKD-SECBINFHSA-N 266.345 0.505 70 50 CCIA O=C(C1CCOCC1)N1CCC(CS(=O)(=O)F)CC1 1615055437 NGYDKQOEHRNKFK-UHFFFAOYSA-N 293.360 0.951 70 50 CCIA O=C(NCC1CCN(CCO)CC1)C1CCCC1 160697200 WDUFFTVULISTKB-UHFFFAOYSA-N 254.374 0.997 70 50 CCIA O=C(NCCCn1cncn1)[C@H](O)c1cccc(F)c1 218469426 DVIRSKXBTQHFTD-GFCCVEGCSA-N 278.287 0.657 70 50 CCIA CCc1cc(N2CCN(S(=O)(=O)F)CC2)nc(C)n1 1776003705 AHBABAGORCAGER-UHFFFAOYSA-N 288.348 0.684 70 50 CCIA C[C@H](Cc1cccnc1)NC(=O)CN1CCOCC1 217088850 NWIWUHUBBNIRSR-GFCCVEGCSA-N 263.341 0.461 70 50 CCIA C[C@@H]1CN(C(=O)CCCn2cncn2)CCCO1 216985444 WUUHSDDRJNRARY-LLVKDONJSA-N 252.318 0.696 70 50 CCIA CCNS(=O)(=O)c1ccc(OS(=O)(=O)F)c(N)c1 1875389938 RWYRHQCRFHUQGD-UHFFFAOYSA-N 298.317 0.160 70 50 CCIA CN(CC(=O)N[C@@H]1C[C@@H]2OCC[C@@H]21)Cc1ccncc1 217804766 WOGXMUUWXPYVLA-MCIONIFRSA-N 275.352 0.807 70 50 CCIA O=C(NCc1c[nH]c(=O)[nH]c1=O)c1ccsc1 217455139 LDBQQOXSDIVQSS-UHFFFAOYSA-N 251.267 0.055 70 50 CCIA O=C(NCCc1noc([C@H]2CCCO2)n1)c1cnc[nH]1 218752787 MLLZALOUVKIXOQ-SECBINFHSA-N 277.284 0.617 70 50 CCIA CS(=O)(=O)CCNCc1cncc(Br)c1 160563322 SGIZEWDIECMPNS-UHFFFAOYSA-N 293.186 0.978 70 50 CCIA Cc1cc(N)n(CC(=O)NCc2nccn2C(C)C)n1 218183619 CWVZQMINWYNMNU-UHFFFAOYSA-N 276.344 0.868 70 50 CCIA O=S(=O)(F)Oc1ccc(OS(=O)(=O)F)cc1 257355167 OEJXDBMJMKHHMQ-UHFFFAOYSA-N 274.222 0.873 70 50 CCIA Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1cccc2nccnc12 218133933 QSTPXHKFWTYHBZ-JTQLQIEISA-N 297.318 0.962 70 50 CCIA O=S(=O)(Cl)c1nc2nc(Cl)ccn2n1 238553635 VWOPVYLMRIZALC-UHFFFAOYSA-N 253.070 0.705 70 50 CCIA in-vitro COc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2)cc1F 217856561 QQKKFUSTCATNRR-XRNSZHNASA-N 282.315 0.734 70 50 CCIA COC(=O)N[C@H](C)C(=O)NCCCn1ccccc1=O 218718206 SJNGPAXIWRDFLX-SNVBAGLBSA-N 281.312 0.099 70 50 CCIA COc1ccc([C@@H](CC(N)=O)c2c(C)[nH][nH]c2=O)cc1O 218275377 HBHWYIKHVCDOFQ-SECBINFHSA-N 291.307 0.733 70 50 CCIA O=C(CCC(F)(F)F)N1CCN(Cc2nnc[nH]2)CC1 217763940 ZKTBVCQHPOPINL-UHFFFAOYSA-N 291.277 0.791 70 50 CCIA CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC[C@@H]2O 216643798 IFRSYEKBTGASKA-VIFPVBQESA-N 270.329 0.494 70 50 CCIA O=C(CCn1cncn1)N[C@@H]1COCC[C@@H]1OCC1CC1 218061835 JYBGQBISSHMCHP-OLZOCXBDSA-N 294.355 0.369 70 50 CCIA Cc1nc(N)nc(N2CCn3nc(CO)cc3C2)c1Cl 217339920 ZLBQTUKTRSGESR-UHFFFAOYSA-N 294.746 0.730 70 50 CCIA CC[C@@H](NC(=O)CCn1cncn1)c1cn2cccnc2n1 217451076 DUEPRLRHZGMHFF-LLVKDONJSA-N 299.338 0.978 70 50 CCIA NC(=O)[C@H]1CN(CCS(=O)(=O)F)c2ccccc2O1 883953594 BGHDGYBLOQIZNH-SNVBAGLBSA-N 288.300 0.039 70 50 CCIA CN(Cc1nc(O)c2ccccc2n1)S(=O)(=O)F 1875374863 HRQZZFOWTNCTOD-UHFFFAOYSA-N 271.273 0.982 70 50 CCIA Cc1csc(CCNC(=O)CC[C@@H]2NC(=O)NC2=O)n1 218453559 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Cc1cc(C)c(CNC(=O)CN2CCCN(C)CC2)cn1 218078962 YEYUIAIKQKRLGP-UHFFFAOYSA-N 290.411 0.952 70 50 CCIA NC[C@@H]1CCCN1C(=O)c1cnn(-c2ccc(F)cc2)n1 160263157 PJGQWVHZQHXEHB-LBPRGKRZSA-N 289.314 0.970 70 50 CCIA COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)F)c1 238850943 DLBBWGCIBHSEFM-UHFFFAOYSA-N 276.241 0.918 70 50 CCIA CN1CCC(N2CCN(C(=O)c3cnc[nH]3)CC2)CC1 216973626 NTNCHMDDCPOOGE-UHFFFAOYSA-N 277.372 0.262 70 50 CCIA Nc1ccsc1C(=O)N1CCn2nc(CO)cc2C1 217922193 SKDHRCFUKQAKRY-UHFFFAOYSA-N 278.337 0.675 70 50 CCIA OCc1cc2n(n1)CCN(Cc1cccc3nonc13)C2 217159761 FNSXSZKKZQDQBA-UHFFFAOYSA-N 285.307 0.927 70 50 CCIA Cc1cc(C)c(CNC(=O)CN2CCC[C@H](O)C2)cn1 218477272 NYUSDLQQGBXLLS-AWEZNQCLSA-N 277.368 0.771 70 50 CCIA Cc1nc2c(c(=O)[nH]1)CCN(C(=O)Cc1cccnc1)CC2 217061474 ZSQXPPPAXTXTHC-UHFFFAOYSA-N 298.346 0.643 70 50 CCIA CN(Cc1nccs1)C(=O)CN1CCOCC1 217031956 IOIHCVQWOATYOH-UHFFFAOYSA-N 255.343 0.434 70 50 CCIA CN1CCCN(CC(=O)NCCc2cscn2)CC1 218567870 VJVZMWXLAQWNSO-UHFFFAOYSA-N 282.413 0.439 70 50 CCIA CNC[C@@H]1CCCN1C(=O)c1ccc(CNC(N)=O)cc1 161181403 GTNSOZBMKVBFDZ-ZDUSSCGKSA-N 290.367 0.679 70 50 CCIA NS(=O)(=O)c1cccc(S(=O)(=O)Cl)c1 100020954 PWSQDFHPBVRXTQ-UHFFFAOYSA-N 255.704 0.262 70 50 CCIA COCCn1c(C)cc(C)c(C(=O)NCC(=O)OC)c1=O 218542777 WBFSHSONVCETFQ-UHFFFAOYSA-N 296.323 0.014 70 50 CCIA Cc1cc(N)n(CC(=O)NCCCc2csc(N)n2)n1 217194422 ABKDHMVHURNTSE-UHFFFAOYSA-N 294.384 0.561 70 50 CCIA CN(C[C@@H]1COCCO1)C(=O)c1ccc(CO)o1 217060547 DXRIASGZVVJJAX-SNVBAGLBSA-N 255.270 0.259 70 50 CCIA CCO[C@@H]1COCC[C@H]1NC(=O)Cn1nccc1C 218193100 MDJAIFQIVORPEH-VXGBXAGGSA-N 267.329 0.502 70 50 CCIA CS(=O)(=O)c1ccc(F)c(S(=O)(=O)F)c1 238855016 QDAUDHUDLCGCOH-UHFFFAOYSA-N 256.251 0.887 70 50 CCIA O=C(Nc1cccnc1)N1CCN(S(=O)(=O)F)CC1 1776004634 WIVYZULAKOTBTB-UHFFFAOYSA-N 288.304 0.445 70 50 CCIA CCn1ncnc1[C@H](C)NC(=O)CN1CCCC1 218395270 RPDCCQPUFYXCSL-JTQLQIEISA-N 251.334 0.571 70 50 CCIA CN(C)[C@@H]1[C@@H](NC(=O)NCc2ccco2)[C@H]2CCO[C@H]21 218531740 WQXUWTXHOAKBFY-YVECIDJPSA-N 279.340 0.796 70 50 CCIA COC(=O)c1ccn(COCn2ccc(C(=O)OC)n2)n1 217038654 RSSYGVFZZBJYAE-UHFFFAOYSA-N 294.267 0.285 70 50 CCIA Cc1ccccc1[C@@H](O)CNC(=O)[C@H]1CSCN1 159841431 ANDNHGHDLQWYME-NEPJUHHUSA-N 266.366 0.807 70 50 CCIA CC[C@H](Cn1ccnc1)NC(=O)Cn1ccnc1C 218090430 KXQJPTRZKUSJHP-GFCCVEGCSA-N 261.329 0.983 70 50 CCIA CC[C@@H](NC(=O)Cn1nc(C)cc1N)[C@H]1C[C@H](O)C1 218146753 OWTYLGPRHYBRHM-OUAUKWLOSA-N 266.345 0.439 70 50 CCIA O=c1c(NCC2CC2)c(N2CCSCC2)c1=O 218289174 YPNCUTKXPBLBTD-UHFFFAOYSA-N 252.339 0.658 70 50 CCIA CCn1cnnc1CCNC(=O)[C@@H](O)c1ccc(F)cc1 218056388 ZCQSKAOJDBMBOL-ZDUSSCGKSA-N 292.314 0.829 70 50 CCIA Cc1n[nH]c([C@@H]2CCCN(C(=O)CN3CCCC3=O)C2)n1 217015828 ROBLMCNEDXBVBJ-LLVKDONJSA-N 291.355 0.442 70 50 CCIA O=C1Cc2cc(OS(=O)(=O)F)ccc2CCN1 1875374249 HDCDMSCTBNONJI-UHFFFAOYSA-N 259.258 0.495 70 50 CCIA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1ccc2c(c1)OCO2 218738579 QNJDEGQWAJSSDQ-FZMZJTMJSA-N 292.335 0.864 70 50 CCIA CSCC[C@@H](O)C(=O)NCCc1cccnc1 217539769 FTVKWPRHLBQJHB-LLVKDONJSA-N 254.355 0.854 70 50 CCIA Nc1[nH]nc(C(=O)N2CCc3n[nH]cc3C2)c1Cl 216909830 HGOCDJNPUJWBGJ-UHFFFAOYSA-N 266.692 0.567 70 50 CCIA O=C(N[C@H]1CCNC[C@@H]1O)c1ccc(F)c(Cl)c1 216774267 ZJSXHPGALAILAW-QWRGUYRKSA-N 272.707 0.932 70 50 CCIA Nc1nnc(CCCNC(=O)C(=O)c2cccnc2)s1 218116439 CVRGNEHQBLSOGQ-UHFFFAOYSA-N 291.336 0.447 70 50 CCIA Cc1cc(CN(C)C(=O)CNC(=O)N(C)C)on1 217955709 PICUSPJQYZEZEN-UHFFFAOYSA-N 254.290 0.213 70 50 CCIA C[C@H](Cn1cncn1)NC(=O)CSc1nnc(N)s1 217848809 CUJFJQDPTSGDPJ-ZCFIWIBFSA-N 299.385 0.009 70 50 CCIA O=C(N[C@@H]1CCOC[C@H]1O)c1scc2c1OCCO2 218597938 BHNAKRXNJSOMSI-HTQZYQBOSA-N 285.321 0.399 70 50 CCIA O=S(=O)(F)CCS(=O)(=O)c1ccccc1 675062924 DAFHSLGPHFQKCN-UHFFFAOYSA-N 252.288 0.760 70 50 CCIA COc1ccc(C(=O)N2CC[C@]3(CN(C)C(=O)O3)C2)o1 217396854 GTXAISFSNZAFMU-ZDUSSCGKSA-N 280.280 0.955 70 50 CCIA Cc1cc(=O)[nH]c(CCNC(=O)c2cccnc2O)n1 217065076 YSWLFLREPIIWTN-UHFFFAOYSA-N 274.280 0.151 70 50 CCIA C[C@@H](Cc1cccnc1)NC(=O)CN1CCOCC1 217088825 NWIWUHUBBNIRSR-LBPRGKRZSA-N 263.341 0.461 70 50 CCIA CCOC(=O)c1cc(C#N)c(N)cc1OS(=O)(=O)F 1875389892 ICKNQNALWBQVPF-UHFFFAOYSA-N 288.256 0.910 70 50 CCIA O=C(Cc1ccc(O)c(Cl)c1)N1CC[C@@H](CO)[C@@H](O)C1 216964360 SLSHIFYPPIBRGH-GWCFXTLKSA-N 299.754 0.790 70 50 CCIA CC(C)C[C@H](NC(=O)CN1CCOCC1)c1ncnn1C 218657428 NCANHQNBWFKDEH-LBPRGKRZSA-N 295.387 0.351 70 50 CCIA C[C@@H]1CN(S(=O)(=O)F)CCN1c1cnccn1 1875374936 KIXCTOOOANMGMN-MRVPVSSYSA-N 260.294 0.201 70 50 CCIA NC(=O)c1ccc(/C=C/C(=O)N2CC[C@@H](N)C2)cc1 160267464 UWFXMLFTUFWNSR-MJRJWQSSSA-N 259.309 0.358 70 50 CCIA N#CC1(NC(=O)c2cncc(OS(=O)(=O)F)c2)CC1 1875321305 CLCKSJKDWYZNOL-UHFFFAOYSA-N 285.256 0.461 70 50 CCIA CCCN1C(=O)N[C@@H](CC(=O)N(C)Cc2ccon2)C1=O 216977020 AXEMYBFOBYLWGE-JTQLQIEISA-N 294.311 0.354 70 50 CCIA CCS(=O)(=O)c1ccc(OS(=O)(=O)F)c(N)c1 1875390047 OCCIBJGTEPZZKI-UHFFFAOYSA-N 283.302 0.656 70 50 CCIA Cc1n[nH]c(SCC(=O)NCCCn2ccnn2)n1 218234093 CEMWTJVWEYEVPR-UHFFFAOYSA-N 281.345 0.003 70 50 CCIA O=C(Cn1cnc2ccsc2c1=O)Nc1nc[nH]n1 218227828 RMJSYPAEABYFDU-UHFFFAOYSA-N 276.281 0.215 70 50 CCIA Nc1ncccc1CN1CCN(c2ccncc2)C[C@@H](O)C1 216937499 QHOBVWXIOVDRQG-HNNXBMFYSA-N 299.378 0.742 70 50 CCIA Cc1ccccc1[C@H](O)CNC(=O)[C@H]1CSCN1 159841318 ANDNHGHDLQWYME-VXGBXAGGSA-N 266.366 0.807 70 50 CCIA C[C@@H](Cc1cccnc1)NC(=O)c1cnc(O)cn1 217499012 VTGHMONBOXQJOX-VIFPVBQESA-N 258.281 0.938 70 50 CCIA Cc1cc(CNC(=O)c2cn(C)c(=O)[nH]c2=O)cc(C)n1 218435312 GWFRFTPOCCGJDL-UHFFFAOYSA-N 288.307 0.015 70 50 CCIA Cc1cccc(C(=O)N2CCC[C@](O)(CO)C2)n1 217799610 DMKDJGPUQNPKKA-CYBMUJFWSA-N 250.298 0.349 70 50 CCIA O=C(c1ccc2[nH]nnc2c1)N1CCc2n[nH]cc2C1 216988830 XWCCZHKQUQUZDI-UHFFFAOYSA-N 268.280 0.880 70 50 CCIA O=C(NCCc1cnccn1)[C@@H](O)Cc1ccccc1 217210816 HLXSNNAGSPXKHS-AWEZNQCLSA-N 271.320 0.739 70 50 CCIA CNC(=O)[C@H]1CCCN(C(=O)[C@@H](N)Cc2ccccc2)C1 159751323 SKPUZGFHQFGAFP-KBPBESRZSA-N 289.379 0.541 70 50 CCIA COCc1nc(CNC(=O)c2nc(C)c[nH]2)no1 218543258 WEOUGSMIMSICPG-UHFFFAOYSA-N 251.246 0.178 70 50 CCIA Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccc2nccnc2c1 218189868 FKRSGCMDPUZEAN-SNVBAGLBSA-N 297.318 0.962 70 50 CCIA Cc1nn(C)c(C)c1OCC(=O)N1CCC[C@H]1CN 160333474 VNHFYJGABIAQQU-NSHDSACASA-N 266.345 0.365 70 50 CCIA CN1CCC[C@H](C(=O)NCCc2ccnn2C)C1 216996431 FRRONAWTGCYRBY-NSHDSACASA-N 250.346 0.421 70 50 CCIA O=C(Cc1cc(=O)[nH][nH]c1=O)NC1(c2ccccc2)CC1 217438784 RWBUEHVSDQAEII-UHFFFAOYSA-N 285.303 0.411 70 50 CCIA CN(C[C@@H]1COCCO1)C(=O)c1ccc2[nH]nnc2c1 217687644 UYQHWTHEMBLYBY-SNVBAGLBSA-N 276.296 0.445 70 50 CCIA Cn1c(=O)n(C)c2cc(OS(=O)(=O)F)ccc21 1875374358 LUKLVNGNDWIVFN-UHFFFAOYSA-N 260.246 0.470 70 50 CCIA Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)Cl)ccc21 100151808 LFTMAKYIKMUGJD-UHFFFAOYSA-N 288.712 0.165 70 50 CCIA O=C(CCCn1ccnc1)NCCSc1ncn[nH]1 218106744 JBPYBHFLFJZYNI-UHFFFAOYSA-N 280.357 0.690 70 50 CCIA Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2cnn(C)c2)o1 218136163 WWQNIFASYDFBCN-SECBINFHSA-N 277.280 0.395 70 50 CCIA Cc1ncc(Cl)c(C(=O)N[C@@H]2COCC[C@H]2O)n1 218238537 MRXLWAVDCHBMTB-RKDXNWHRSA-N 271.704 0.318 70 50 CCIA CCc1cc(NC(=O)NCc2nc(C)no2)n(C)n1 160428552 ZKWSAWMAADMWJL-UHFFFAOYSA-N 264.289 0.996 70 50 CCIA Cc1cccnc1C(=O)NCCc1noc(CO)n1 218026477 KGMNRDGFZUBYMF-UHFFFAOYSA-N 262.269 0.238 70 50 CCIA Cc1cccc(=O)n1CCCNC(=O)[C@@H](C)n1cncn1 217437085 CNBMMVQSEWJTSP-GFCCVEGCSA-N 289.339 0.516 70 50 CCIA Cc1cccnc1[C@@H](C)NC(=O)CNC(=O)N(C)C 218641264 WGHAJZFOADXURU-SNVBAGLBSA-N 264.329 0.838 70 50 CCIA COc1cn(CC(=O)NCc2cccn2C)c(C)cc1=O 218259813 GHWKAMXMJZQCTK-UHFFFAOYSA-N 289.335 0.820 70 50 CCIA C[C@@H](c1cnccn1)N1CCN(S(=O)(=O)F)CC1 1875373424 ANYLWDJYXBYCMO-VIFPVBQESA-N 274.321 0.370 70 50 CCIA CCOC(=O)[C@@H]1CCCN(S(=O)(=O)Cl)C1 100289342 AYLNINMKMQOFAN-SSDOTTSWSA-N 255.723 0.745 70 50 CCIA CC1CCN(CC(=O)N[C@H](C)c2n[nH]c(=O)[nH]2)CC1 217161195 FSSOKVWKWAWKEI-SECBINFHSA-N 267.333 0.007 70 50 CCIA CCCN(C)S(=O)(=O)N[C@H]1c2ccccc2C[C@H]1O 159862794 VIHKRPIACQZIEC-OLZOCXBDSA-N 284.381 0.821 70 50 CCIA Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1cccc(O)c1 218286491 SFJDAVMEZUXTNS-JTQLQIEISA-N 261.281 0.724 70 50 CCIA COc1ccc(CCCC(=O)N[C@@H]2CCNC[C@H]2O)cc1 218657639 PTUKSTXPIRVHLE-HUUCEWRRSA-N 292.379 0.857 70 50 CCIA CNC[C@H]1CCCN1C(=O)c1ccc(CNC(N)=O)cc1 161181525 GTNSOZBMKVBFDZ-CYBMUJFWSA-N 290.367 0.679 70 50 CCIA C/C=C/CN1CCN(Cc2nncn2C(C)C)C[C@@H](O)C1 217114178 CFPJMWIWZLIWAO-NNTXTVRGSA-N 293.415 0.914 70 50 CCIA O=C(CCn1cncn1)N1CCC[C@H](c2nnc[nH]2)C1 217662071 JYQZDZAKPQCQKZ-JTQLQIEISA-N 275.316 0.193 70 50 CCIA CN(Cc1cc(C2CC2)[nH]n1)C(=O)c1c[nH]c(=O)[nH]1 217093260 SIEXLBYAYAFTFX-UHFFFAOYSA-N 261.285 0.576 70 50 CCIA Cc1nonc1C(=O)N[C@@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1 218335984 CTXDOGTUWJIHOI-HLUHBDAQSA-N 291.311 0.354 70 50 CCIA C[C@H](C(=O)NCCc1noc(C2CCC2)n1)n1cncn1 217195968 OAHYFKXLOSMLIM-SECBINFHSA-N 290.327 0.849 70 50 CCIA CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1cn[nH]c1 160153592 OHNRJHYHYHNJQT-CWSCBRNRSA-N 264.329 0.881 70 50 CCIA COC(=O)[C@H](CC(C)C)NC(=O)c1cc(=O)c(OC)co1 218037145 QAPSHFBBHMJWFY-VIFPVBQESA-N 297.307 0.966 70 50 CCIA biogenic CCCn1cc(CNC(=O)c2ccc(=O)[nH]c2)cn1 218198767 HLMDIITUCPFEPQ-UHFFFAOYSA-N 260.297 0.911 70 50 CCIA Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccc(O)cc1 218289695 QSPSQEBELYSRJR-SNVBAGLBSA-N 261.281 0.724 70 50 CCIA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)CCCn1cncn1)C2 216910319 WHGNEJQNHMTLCR-IMRBUKKESA-N 278.356 0.942 70 50 CCIA CS(=O)(=O)[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](N)C1 160218580 OIFBQOXGOVTTEK-OLZOCXBDSA-N 296.392 0.202 70 50 CCIA CN(CCO)C(=O)c1ccc(OS(=O)(=O)F)cc1 1875374421 PGPOSWYMAMHYHR-UHFFFAOYSA-N 277.273 0.344 70 50 CCIA CN(C)Cc1cncc(N2CCn3nc(CO)cc3C2)n1 217179130 AWXFBVPOYBTFHM-UHFFFAOYSA-N 288.355 0.247 70 50 CCIA COc1cc(CCC(=O)N[C@H](CO)C(C)C)on1 217621053 CUFYGCKKYQLEDN-SNVBAGLBSA-N 256.302 0.749 70 50 CCIA biogenic Cn1nc(-c2ccc(S(=O)(=O)F)cc2)s/c1=N/N 102313493 VIVRIDQNHJKNBD-FMIVXFBMSA-N 288.329 0.581 70 50 CCIA CCOc1ccc(C(=O)NC[C@H]2COCCO2)o1 217682930 MDYVRPAAWBYDCL-VIFPVBQESA-N 255.270 0.824 70 50 CCIA O=C(CSc1ccccc1)NCCN1CCNC1=O 218163453 WJISZTRIDZPDFS-UHFFFAOYSA-N 279.365 0.920 70 50 CCIA 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278.327 0.696 70 50 CCIA COC1(C(=O)N2CC[C@](O)(C(F)(F)F)C2)CCNCC1 160702067 FZCYRVVSVFSRGF-LLVKDONJSA-N 296.289 0.281 70 50 CCIA CO[C@@H](C(=O)NCCc1noc(CO)n1)c1ccccc1 217028649 OPGWONIVPQTGNF-CYBMUJFWSA-N 291.307 0.608 70 50 CCIA CSc1nc(C(=O)NC[C@H]2CN(C)CCO2)cs1 218060598 QWMAIAMXDKPJRK-QMMMGPOBSA-N 287.410 0.925 70 50 CCIA Cc1cc(N)n(CC(=O)N[C@H](C)c2n[nH]c(C)n2)n1 217947574 YBSWXSMEVLNXMN-SSDOTTSWSA-N 263.305 0.078 70 50 CCIA C[C@H](O)c1cc2n(n1)CCCN(S(=O)(=O)C1CC1)C2 217049507 BCACCQIGMLCPBK-VIFPVBQESA-N 285.369 0.634 70 50 CCIA O=C(N[C@H]1CC(=O)N(CC(F)(F)F)C1)[C@H]1CCCNC1 161326463 ZQZOENSCGLPSDS-IUCAKERBSA-N 293.289 0.265 70 50 CCIA CN(C[C@H]1COCCO1)C(=O)c1ccc(CO)o1 217060578 DXRIASGZVVJJAX-JTQLQIEISA-N 255.270 0.259 70 50 CCIA CCc1nnc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)o1 217991161 GCJGIPKYRPRDES-UHFFFAOYSA-N 299.290 0.799 70 50 CCIA CN1C[C@@H](N(CCS(=O)(=O)F)CC2(F)CC2)CC1=O 1875382935 YKJMJYFFAXBRNM-VIFPVBQESA-N 296.339 0.321 70 50 CCIA Cc1n[nH]c([C@@H]2CCCN2C(=O)CN2CCOC2=O)n1 217597107 WMIZIEAMZZUZIL-VIFPVBQESA-N 279.300 0.229 70 50 CCIA Cc1nonc1CC(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1 217486872 NSYXBQZGZHZSOA-SNVBAGLBSA-N 294.355 0.684 70 50 CCIA COC[C@@H](NC(=O)c1n[nH]c(N)c1Cl)c1ccnn1C 218103240 NPTVAVYLYQYXET-ZCFIWIBFSA-N 298.734 0.496 70 50 CCIA Cc1c(C(=O)N[C@@H]2C[C@@H]3OCC[C@@H]32)cnc2cc(=O)[nH]n12 217758142 IGPVAWOBBDCWMS-IEBDPFPHSA-N 288.307 0.238 70 50 CCIA CC(C)c1cc(C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)n[nH]1 159698580 RQMGULIQFYKWKP-STQMWFEESA-N 278.356 0.688 70 50 CCIA Nc1nc(CCCNC(=O)[C@H]2CCCO2)cs1 218753166 ZVGYTGHCDRWCMR-SECBINFHSA-N 255.343 0.953 70 50 CCIA OCc1cc2n(n1)CCN(Cc1cscn1)C2 217054313 PXOWIQXWWZNTBA-UHFFFAOYSA-N 250.327 0.848 70 50 CCIA O=C(N[C@@H]1CCOC[C@H]1Oc1ccccn1)c1cc[nH]n1 217997694 PQOZAMWJAJZLFF-ZYHUDNBSSA-N 288.307 0.771 70 50 CCIA Cc1ccccc1[C@@H](O)CNC(=O)[C@@H]1CSCN1 159841186 ANDNHGHDLQWYME-RYUDHWBXSA-N 266.366 0.807 70 50 CCIA COCc1noc(CN2CCCn3nc(CO)cc3C2)n1 217138692 SDVWLUPUNZFYCD-UHFFFAOYSA-N 293.327 0.311 70 50 CCIA CSCc1ccc(C(=O)NCc2c[nH]c(=O)[nH]c2=O)o1 217141733 NLHGDGULKNXRAA-UHFFFAOYSA-N 295.320 0.449 70 50 CCIA COCCn1cncc1CNC(=O)Cc1ccncc1 218782028 SJJOZFOIXHTMEM-UHFFFAOYSA-N 274.324 0.783 70 50 CCIA O=C(NCCN1CCNC1=O)c1cc(Cl)ccc1O 217147993 HVOAWYCWKZMRDA-UHFFFAOYSA-N 283.715 0.801 70 50 CCIA CC(=O)N1CC(Nc2ccc(-n3nnnc3C)cc2)=CC1=O 218565688 CCPJGXKXEXNLML-UHFFFAOYSA-N 298.306 0.655 70 50 CCIA O=C(NCCCn1cncn1)[C@@H](O)c1cccc(F)c1 218469343 DVIRSKXBTQHFTD-LBPRGKRZSA-N 278.287 0.657 70 50 CCIA NC(=O)[C@@H]1CN(CCS(=O)(=O)F)c2ccccc2O1 883953593 BGHDGYBLOQIZNH-JTQLQIEISA-N 288.300 0.039 70 50 CCIA COCCOCC(=O)N[C@@H](C)c1nc(C2CC2)no1 218254089 JWWUKJDQGJSGNX-QMMMGPOBSA-N 269.301 0.787 70 50 CCIA COC[C@H]1[C@@H](NC(=O)c2cnccn2)[C@@H]2CCO[C@@H]21 218502089 SPIGUECXZLIBMO-QSFUFRPTSA-N 263.297 0.256 70 50 CCIA CN(CCc1cnn(C)c1)C(=O)C(=O)c1cccn1C 216932120 RBESCLHJWYMMNG-UHFFFAOYSA-N 274.324 0.642 70 50 CCIA CSc1ncc(C(=O)NC[C@H]2COCCN(C)C2)cn1 218495594 CXISYNZEVUTZCW-SNVBAGLBSA-N 296.396 0.507 70 50 CCIA O=C(C[C@H]1C=CCC1)N1CCN(Cc2nnc[nH]2)CC1 217762166 FHMXGHDTBHIQDU-LBPRGKRZSA-N 275.356 0.805 70 50 CCIA Cn1cnnc1C1CCN(C(=O)[C@@H]2CC[C@H](N)C2)CC1 217046360 RSNCGHVHRMVFFR-NEPJUHHUSA-N 277.372 0.649 70 50 CCIA OCc1cc2n(n1)CCCN(CCn1cccn1)C2 217114887 NTNVCEAZSIFNLM-UHFFFAOYSA-N 261.329 0.478 70 50 CCIA C[C@H](CCC(=O)N(C)Cc1ncc[nH]1)N1CCOCC1 218753884 DRNQWTFKAIUOAI-GFCCVEGCSA-N 280.372 0.869 70 50 CCIA C[C@H](Cn1cccn1)NC(=O)CCN1CCN(C)CC1 218086360 PSCQURWHARSSFE-CYBMUJFWSA-N 279.388 0.025 70 50 CCIA CCc1ccc(C(=O)N2CCC[C@@](O)(CO)CC2)[nH]1 218151127 SKQOSKUPARHJOD-AWEZNQCLSA-N 266.341 0.927 70 50 CCIA CC(C)C[C@@H](O)C(=O)NCc1nc(C2CC2)no1 218215702 HUWDUFFXIJMUBE-SECBINFHSA-N 253.302 0.970 70 50 CCIA Cc1cc(C[C@H](C)NC(=O)CCn2nnnc2C)[nH]n1 218426540 XIQLLLSPEKIKGM-QMMMGPOBSA-N 277.332 0.151 70 50 CCIA CCC[C@H](NC(C)=O)C(=O)NCCSc1nncn1C 217818175 DPXSXRMTAGFGKW-JTQLQIEISA-N 299.400 0.328 70 50 CCIA O=C(Cc1ccccn1)N1CCn2nc(CO)cc2C1 217658014 QHFZPVQWBSILSZ-UHFFFAOYSA-N 272.308 0.355 70 50 CCIA CSCC[C@@H](O)C(=O)NCCCc1ncc[nH]1 218553752 FQOKVEXUVNNMDV-SECBINFHSA-N 257.359 0.573 70 50 CCIA O=C(NC[C@@]1(O)CCCNC1)c1ccc(F)c(O)c1 217133249 YQHUFYVQJSOZIA-CYBMUJFWSA-N 268.288 0.376 70 50 CCIA COC[C@H](NC(=O)c1n[nH]c(N)c1Cl)c1ccnn1C 218103340 NPTVAVYLYQYXET-LURJTMIESA-N 298.734 0.496 70 50 CCIA CNS(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1 100566929 BYFIYJHEXYSWEU-UHFFFAOYSA-N 269.731 0.522 70 50 CCIA C[C@H](NC(=O)Cc1cccnc1)c1nnc(N)s1 218669276 BGVLXGAALBRMPI-ZETCQYMHSA-N 263.326 0.935 70 50 CCIA C[C@H](CN1CCOCC1)C(=O)N(C)Cc1ccon1 218393533 CCXJOQQGMSTPCG-LLVKDONJSA-N 267.329 0.601 70 50 CCIA COCCOCC(=O)N[C@H](C)c1nc(C2CC2)no1 218254150 JWWUKJDQGJSGNX-MRVPVSSYSA-N 269.301 0.787 70 50 CCIA CS(=O)(=O)c1ccc(OS(=O)(=O)F)cc1 257355188 OSOIRHOFNJYGET-UHFFFAOYSA-N 254.260 0.683 70 50 CCIA CNC(=O)[C@H](NC(=O)c1cnc(N)nc1C)c1ccccc1 218263656 VUYDHPANXNHXBZ-GFCCVEGCSA-N 299.334 0.584 70 50 CCIA Nc1ncccc1CN1CCC2(CC1)C[C@H](O)CO2 216932353 YTNOYYAUMNWLTK-LBPRGKRZSA-N 263.341 0.780 70 50 CCIA CCN1CCN(C(=O)c2cc(C)nc(C)n2)[C@H](C)C1=O 218580141 CZDNGSZXXLVZRU-SNVBAGLBSA-N 276.340 0.786 70 50 CCIA CCO[C@H]1CN(C(=O)c2c(C)noc2C)C[C@@H]1O 218586818 IUNBEVKQRDQMDE-UWVGGRQHSA-N 254.286 0.513 70 50 CCIA CC(=O)N1CC(Nc2ccc3c(c2)NC(=O)CO3)=CC1=O 218438440 YXTZDYKDAXJKGC-UHFFFAOYSA-N 287.275 0.702 70 50 CCIA OCc1cc2n(n1)CCN(Cc1noc(C3CC3)n1)C2 217418203 LVXOLZYTTBRMRS-UHFFFAOYSA-N 275.312 0.652 70 50 CCIA CCO[C@@H]1COCC[C@H]1NC(=O)Cc1c(C)n[nH]c1C 218192716 LEHLHBBFFJMRBS-CHWSQXEVSA-N 281.356 0.879 70 50 CCIA CC1CCN(CC(=O)N[C@@H](C)c2n[nH]c(=O)[nH]2)CC1 217161201 FSSOKVWKWAWKEI-VIFPVBQESA-N 267.333 0.007 70 50 CCIA COCc1nc(CN2CCn3nc([C@@H](C)O)cc3C2)no1 217404121 ZJILCOFGHDBPBE-SECBINFHSA-N 293.327 0.482 70 50 CCIA Cn1ncnc1CCNC(=O)CCc1ccc(O)cc1 218499505 SNSGFWKFZUDEEE-UHFFFAOYSA-N 274.324 0.812 70 50 CCIA NC[C@H]1CCCN1C(=O)c1cnn(-c2ccc(F)cc2)n1 160263011 PJGQWVHZQHXEHB-GFCCVEGCSA-N 289.314 0.970 70 50 CCIA O=C(NCc1c[nH]c(=O)[nH]c1=O)c1cc(Cl)ccc1F 217409492 QTLVHVJDEPEUMG-UHFFFAOYSA-N 297.673 0.786 70 50 CCIA COC1(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)CCNCC1 160702190 FZCYRVVSVFSRGF-NSHDSACASA-N 296.289 0.281 70 50 CCIA CC[C@H](NC(=O)Cn1nc(C)cc1N)[C@H]1C[C@H](O)C1 218146837 OWTYLGPRHYBRHM-AXFHLTTASA-N 266.345 0.439 70 50 CCIA COC(=O)[C@H](C)NC(=O)c1cn(C)c(=O)c2ccccc12 217646567 XDVTYJSDZUPSRW-VIFPVBQESA-N 288.303 0.830 70 50 CCIA biogenic O=C1CNC(=O)N1CC(=O)N1CCC[C@H]1c1nccs1 217633140 UVFSCRUCOFOAQY-QMMMGPOBSA-N 294.336 0.358 70 50 CCIA Cc1nc([C@@H](C)NC(=O)C2(C(N)=O)CC2)cs1 217946109 ISDJEZFGHFLIOM-ZCFIWIBFSA-N 253.327 0.894 70 50 CCIA COc1ccccc1N1CC[C@H](NC(=O)[C@@H](C)OC)C1=O 161240158 JEPYTOIFKAYXLG-MNOVXSKESA-N 292.335 0.952 70 50 CCIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cccnc1 218265689 HHFBRJRVQAZKDP-LOWDOPEQSA-N 262.309 0.861 70 50 CCIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ncoc1C 218655791 UJSCWMCWGNLEFF-SPFNVWMYSA-N 266.297 0.763 70 50 CCIA Cc1nnc(CN2CCCn3nc(CO)cc3C2)s1 217082889 BRWKFBJDZAZWNK-UHFFFAOYSA-N 279.369 0.941 70 50 CCIA O=S(=O)(O)N(CCc1ccccc1)C[C@H](O)CCl 34132546 DDGBFRUQPSSYLL-LLVKDONJSA-N 293.772 0.934 70 50 CCIA C[C@H](Cc1cccnc1)NC(=O)c1cnc(O)cn1 217499085 VTGHMONBOXQJOX-SECBINFHSA-N 258.281 0.938 70 50 CCIA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)CN1CCOCC1 216932965 NFDDQRLVOBTBHD-SECBINFHSA-N 266.345 0.536 70 50 CCIA O=C(O)CNC(=O)c1ccc(S(=O)(=O)Cl)cc1 100438349 CBDGPFVSWUUXJX-UHFFFAOYSA-N 277.685 0.429 70 50 CCIA Nc1nc(NCCn2ccnc2)cc(C2CC(N)C2)n1 218518195 UKGVJNMOWCBHKG-UHFFFAOYSA-N 273.344 0.572 70 50 CCIA Cc1nonc1CC(=O)N1CCCn2nc(CO)cc2C1 217432207 NHGCKETVRNCWNS-UHFFFAOYSA-N 291.311 0.042 70 50 CCIA Nc1ccc(C(=O)N2CCn3nc(CO)cc3C2)cn1 217212055 VTYRNFDQWNTPMP-UHFFFAOYSA-N 273.296 0.009 70 50 CCIA O=C(NCCO)c1cccc(OS(=O)(=O)F)c1 1875374139 CADLRYAHILDXCD-UHFFFAOYSA-N 263.246 0.002 70 50 CCIA N=c1ncn(-c2ccc(OS(=O)(=O)F)cc2)[nH]1 1875374199 FDRUFHHSIKAALZ-UHFFFAOYSA-N 258.234 0.273 70 50 CCIA O=C(CN1CCOC1=O)N1CC(Oc2ccccc2F)C1 217845890 AIQKRWNOLGCXTQ-UHFFFAOYSA-N 294.282 0.868 70 50 CCIA CS(=O)(=O)NCC[C@H]1CCCCN1Cc1cc[nH]n1 159464374 ZALPGRIDJCHUNL-GFCCVEGCSA-N 286.401 0.704 70 50 CCIA CCCN1C(=O)N[C@H](CC(=O)N(C)Cc2ncc[nH]2)C1=O 217034760 OUTADHNCXSZVQL-SECBINFHSA-N 293.327 0.089 70 50 CCIA CCO[C@@H]1COCC[C@H]1NC(=O)c1cc(C)on1 218429285 BDWVPZKADGZGMB-MWLCHTKSSA-N 254.286 0.907 70 50 CCIA CC(C)(C)c1cnc(S(=O)(=O)C[C@@H](O)CO)s1 160405517 ZVVTWCWMWIIUAP-ZETCQYMHSA-N 279.383 0.568 70 50 CCIA CCOC(=O)C1CCN(S(=O)(=O)Cl)CC1 100289341 RBSATNAZLGTHIX-UHFFFAOYSA-N 255.723 0.745 70 50 CCIA Cc1cc(C)c(CNC(=O)CN2CCC[C@@H](O)C2)cn1 218477195 NYUSDLQQGBXLLS-CQSZACIVSA-N 277.368 0.771 70 50 CCIA CC(C)(C)c1cnc(S(=O)(=O)C[C@H](O)CO)s1 160405377 ZVVTWCWMWIIUAP-SSDOTTSWSA-N 279.383 0.568 70 50 CCIA CSCC[C@H](O)C(=O)N1CCN(c2cnccn2)CC1 217064609 YMVNNLPIPNSODG-NSHDSACASA-N 296.396 0.239 70 50 CCIA CC(=O)N1CC(Nc2cccc(S(N)(=O)=O)c2)=CC1=O 218265702 RKTWKUSSYMPZBZ-UHFFFAOYSA-N 295.320 0.019 70 50 CCIA CN(CC(=O)NCc1cc[nH]n1)Cc1ccncc1 218007941 FUPCGZINNIIQBK-UHFFFAOYSA-N 259.313 0.553 70 50 CCIA Cn1nncc1C(=O)C1CN(C(=O)OC(C)(C)C)C1 217070709 DIRRICVVGWQQQQ-UHFFFAOYSA-N 266.301 0.865 70 50 CCIA CO[C@@H]1CCOC[C@H]1NC(=O)CN(C)Cc1ccncc1 217069927 DIZZLNRXARHYGO-ZIAGYGMSSA-N 293.367 0.434 70 50 CCIA O=C1[C@@H]2[C@]34C=CC=C[C@@]23[C@@H](C=C4)N1S(=O)(=O)Cl 104280905 PCFDZBGMSCESMU-YJFSRANCSA-N 269.709 0.979 70 50 CCIA O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Cl 32098911 HCPVYBCAYPMANM-UHFFFAOYSA-N 273.697 0.851 70 50 CCIA Cc1n[nH]c([C@H]2CCCN(C(=O)CN3CCCC3=O)C2)n1 217015872 ROBLMCNEDXBVBJ-NSHDSACASA-N 291.355 0.442 70 50 CCIA COC(=O)[C@@H](NC(=O)c1cc(=O)c(OC)co1)C(C)C 218119130 HKPKTQJBIHXAFN-NSHDSACASA-N 283.280 0.576 70 50 CCIA biogenic Cc1cc(N)n(CC(=O)N[C@@H](C)CCn2cccn2)n1 217634757 LASDOAXMXKBUMA-JTQLQIEISA-N 276.344 0.565 70 50 CCIA O=C(NC[C@]1(O)CCCNC1)c1ccc(F)c(O)c1 217133258 YQHUFYVQJSOZIA-ZDUSSCGKSA-N 268.288 0.376 70 50 CCIA C[C@@H](CN1CCOCC1)C(=O)N(C)Cc1ccon1 218393450 CCXJOQQGMSTPCG-NSHDSACASA-N 267.329 0.601 70 50 CCIA Cc1c[nH]c(C(=O)N2CCC(N3CCC(O)CC3)CC2)n1 217734426 KMTUQKFQUYFGQQ-UHFFFAOYSA-N 292.383 0.779 70 50 CCIA Cc1n[nH]c(C)c1CCCN(C)C(=O)CNC(N)=O 218690336 KJVKXEGUMKGKSJ-UHFFFAOYSA-N 267.333 0.086 70 50 CCIA O=C(On1nnc2ccccc21)On1nnc2ccccc21 100623437 PPQNDCSTOHZQEH-UHFFFAOYSA-N 296.246 0.853 70 50 CCIA CN(C[C@H]1COCCO1)C(=O)c1ccc2[nH]nnc2c1 217687727 UYQHWTHEMBLYBY-JTQLQIEISA-N 276.296 0.445 70 50 CCIA O=C(c1ccncc1O)N1CCN(CCCCO)CC1 218765635 ZMYRADPSMCHRJB-UHFFFAOYSA-N 279.340 0.318 70 50 CCIA CCc1nc(C)sc1CNC(=O)CNC(N)=O 218188073 JEVKJRIOUMZAHF-UHFFFAOYSA-N 256.331 0.298 70 50 CCIA C[C@H]1CN(C(=O)CCCn2cncn2)CCCO1 216985459 WUUHSDDRJNRARY-NSHDSACASA-N 252.318 0.696 70 50 CCIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)CCn1cc(C)cn1 218095296 ONDGWUSUHQVACA-MXYBEHONSA-N 293.367 0.748 70 50 CCIA Cc1cc(CNC(=O)c2nc(=O)[nH]c3ccccc23)n[nH]1 217421329 YYIZVENOEPBNHN-UHFFFAOYSA-N 283.291 0.885 70 50 CCIA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cccnc1O 218244463 PKQVXQQPKMGNLO-QWRGUYRKSA-N 265.313 0.236 70 50 CCIA CCN(Cc1nc(C)no1)C(=O)c1cc(C)nc(N)n1 218277598 BYBSYMMFQQMUKU-UHFFFAOYSA-N 276.300 0.721 70 50 CCIA O=C(CN1CCCC1)NCCc1noc([C@@H]2CCCO2)n1 217522241 OIAWHZJIIOYJDP-NSHDSACASA-N 294.355 0.676 70 50 CCIA O=S(=O)(F)CCN1c2ccccc2C[C@H]1CO 883954176 CGYWIMMTLLWLMW-JTQLQIEISA-N 259.302 0.709 70 50 CCIA Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1cnn2cccnc12 218288291 HQAHDVGZNYYEOA-MRVPVSSYSA-N 286.295 0.061 70 50 CCIA Cn1c(=O)[nH]c2ccc(S(=O)(=O)Cl)cc2c1=O 100152687 BQTOFEYWJPJCJM-UHFFFAOYSA-N 274.685 0.154 70 50 CCIA in-vitro C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1cc(O)no1)C2 217660904 SLUXYZAKDUKQQP-SSDOTTSWSA-N 278.268 0.286 70 50 CCIA O=C(c1ccc(F)o1)N1CCN(S(=O)(=O)F)CC1 1875373847 QTMNYRQNRUDCMA-UHFFFAOYSA-N 280.252 0.391 70 50 CCIA NC(=O)NCC(=O)NCc1cccc(CN2CCCC2)c1 217391229 KVDIXAQTEOFLLH-UHFFFAOYSA-N 290.367 0.567 70 50 CCIA COc1cccc(CC(=O)NCc2noc(C(N)=O)n2)c1 218705124 QVDUKKIPVDWDCX-UHFFFAOYSA-N 290.279 0.036 70 50 CCIA COCc1nc(CN2CCn3nc([C@H](C)O)cc3C2)no1 217404204 ZJILCOFGHDBPBE-VIFPVBQESA-N 293.327 0.482 70 50 CCIA CSCC[C@@H](O)C(=O)NCCc1cnccn1 217921996 GNFLYDXHYQJJOQ-SNVBAGLBSA-N 255.343 0.249 70 50 CCIA Cc1n[nH]c(C)c1CNC(=O)CN1CCOC1=O 216920131 QUINIRFUTMLWJP-UHFFFAOYSA-N 252.274 0.095 70 50 CCIA CCn1ccc(C(=O)N2CCn3nc(CO)cc3C2)n1 217203353 UAYILRJHSHRRJI-UHFFFAOYSA-N 275.312 0.248 70 50 CCIA C[C@@H](O)c1cc2n(n1)CCCN(CCn1cncn1)C2 217460629 NQIQKDLRNUAYKL-LLVKDONJSA-N 276.344 0.434 70 50 CCIA O=C1CNC(=O)N1CC(=O)N1CCC[C@@H]1c1nccs1 217633074 UVFSCRUCOFOAQY-MRVPVSSYSA-N 294.336 0.358 70 50 CCIA O=C(C(=O)N1CCN(CCCCO)CC1)c1ccccc1 217410607 MVQNTXODLGPPJX-UHFFFAOYSA-N 290.363 0.786 70 50 CCIA COCCc1noc([C@H](C)NC(=O)c2ccncc2O)n1 218055947 ANHPOWBTQOHGAA-QMMMGPOBSA-N 292.295 0.850 70 50 CCIA Cc1n[nH]c([C@H]2CCCN2C(=O)CN2CCOC2=O)n1 217597192 WMIZIEAMZZUZIL-SECBINFHSA-N 279.300 0.229 70 50 CCIA O=S(=O)(F)N1CCC(c2nnc3n2CCC3)CC1 1875373730 MYNLAUCAMQNQDV-UHFFFAOYSA-N 274.321 0.618 70 50 CCIA CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CCl)[C@@H](O)C1 115588438 UBGMINDIOJNYHW-BDAKNGLRSA-N 292.763 0.712 70 50 CCIA O=C(CSc1ncccn1)NCCCn1cncn1 218188170 JVLGJFDWWLXEAS-UHFFFAOYSA-N 278.341 0.367 70 50 CCIA Cc1n[nH]c(C)c1CCNC(=O)c1cc(CO)ccn1 217916865 OYTHBYJRAXVPIY-UHFFFAOYSA-N 274.324 0.886 70 50 CCIA CCN1CCN(CC(=O)N[C@H](C)Cc2cccnc2)CC1 217355811 ZDZDERMDHOUITH-CQSZACIVSA-N 290.411 0.766 70 50 CCIA CN(C)[C@H]1CCN(c2cc(C3CC(O)C3)ncn2)C1 218544218 LGFPXWUYZMYNHP-CXQJBGSLSA-N 262.357 0.855 70 50 CCIA O=C(CCn1cnnn1)N1CC(c2nc3ccccc3[nH]2)C1 217206263 HSMUEKXMPMNJPG-UHFFFAOYSA-N 297.322 0.566 70 50 CCIA COc1ccc(C(=O)N2CC[C@@]3(CN(C)C(=O)O3)C2)o1 217396770 GTXAISFSNZAFMU-CYBMUJFWSA-N 280.280 0.955 70 50 CCIA COC(=O)CNC(=O)c1c(C)cc(C)n(CC2CC2)c1=O 218455735 NWPJWHIFAJOOFL-UHFFFAOYSA-N 292.335 0.778 70 50 CCIA O=C(NC[C@H]1COCCO1)c1ccn(C(F)F)n1 218162977 CBVSCFAVVGNYDP-ZETCQYMHSA-N 261.228 0.423 70 50 CCIA O=C(N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1cnn[nH]1 218259506 LSTWVGHHCPNFSS-YUSALJHKSA-N 287.323 0.312 70 50 CCIA O=C(CN1CCCC1)NCCc1noc([C@H]2CCCO2)n1 217522312 OIAWHZJIIOYJDP-LLVKDONJSA-N 294.355 0.676 70 50 CCIA O=S(=O)(F)N1CCN(Cc2ccncc2)CC1 1875373784 ORERFHGJNXIRAN-UHFFFAOYSA-N 259.306 0.414 70 50 CCIA OC1(CNCc2cnc3ccccn23)CCOCC1 216829848 WGEMRDBNERTMER-UHFFFAOYSA-N 261.325 0.965 70 50 CCIA O=C1NCCCc2[nH]c(-c3nc(-c4ccncc4)n[nH]3)nc21 217449644 BGDZNWFIQOAHOD-UHFFFAOYSA-N 295.306 0.933 70 50 CCIA COc1ccc(F)cc1[C@H](C)NC(=O)[C@@H]1C[C@@H](O)CN1 217905831 WSPIYGYIVBKHAH-XRNSZHNASA-N 282.315 0.734 70 50 CCIA Cc1nonc1C(=O)N1CCCn2nc(CO)cc2C1 217630323 HGXGRQXLNJFICB-UHFFFAOYSA-N 277.284 0.113 70 50 CCIA Cc1cc(N)n(CC(=O)NC[C@H]2CCCOC2)n1 217183120 QMIGWRKXGRAARC-SNVBAGLBSA-N 252.318 0.317 70 50 CCIA Cc1ccc(C(=O)NCCc2csc(N)n2)c(=O)[nH]1 217749305 BKSISHWLDRBQGU-UHFFFAOYSA-N 278.337 0.695 70 50 CCIA CCOCCN1CCN(Cc2c(C)cnn2C)C[C@@H](O)C1 217692970 KMPRJEQNDPIHJB-AWEZNQCLSA-N 296.415 0.244 70 50 CCIA O=C(C1CCC1)N1CCC(N[C@@H]2COCC[C@H]2O)CC1 217154822 YHLANJACVLXXRX-ZIAGYGMSSA-N 282.384 0.517 70 50 CCIA CCCN1C(=O)N[C@H](CC(=O)N(C)Cc2ccon2)C1=O 216977035 AXEMYBFOBYLWGE-SNVBAGLBSA-N 294.311 0.354 70 50 CCIA CCc1nccn1CC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1COC 218064980 IMKVGIQDKLHYKH-DRABBMOASA-N 293.367 0.612 70 50 CCIA COC(=O)N[C@@H](C)C(=O)NCCCn1ccccc1=O 218718142 SJNGPAXIWRDFLX-JTQLQIEISA-N 281.312 0.099 70 50 CCIA CC(=O)N1CC(Nc2cccc(-n3cnnn3)c2)=CC1=O 218612354 QPNCKFZSQZTIOX-UHFFFAOYSA-N 284.279 0.347 70 50 CCIA CC(=O)N1CCN(c2cc(C3CC(N)C3)ncn2)CC1 218306991 ISGWLQAFEQRXKO-UHFFFAOYSA-N 275.356 0.350 70 50 CCIA O=S(=O)(F)N1CCN(Cc2cncc(F)c2)CC1 1875373712 LPUIDVXBYMHORV-UHFFFAOYSA-N 277.296 0.553 70 50 CCIA COc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H](O)CN2)cc1F 217856708 QQKKFUSTCATNRR-MKPLZMMCSA-N 282.315 0.734 70 50 CCIA O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F 64624652 WJKHJLXJJJATHN-UHFFFAOYSA-N 282.139 0.702 70 50 CCIA in-vitro Cc1cc(=O)[nH]c(NCCNC(=O)c2cccnc2O)n1 217643989 TXRULZHIPISTDW-UHFFFAOYSA-N 289.295 0.021 70 50 CCIA O=S(=O)(C1CC1)N1CCCn2nc(CO)cc2C1 217577593 IVZTTZVFWMSVBV-UHFFFAOYSA-N 271.342 0.073 70 50 CCIA CC(C)c1cc(=O)n(CCCS(C)(=O)=O)cn1 160739139 JEQOLNBRHXWIHN-UHFFFAOYSA-N 258.343 0.801 70 50 CCIA N[C@@H](Cc1ccc(OS(=O)(=O)F)cc1)C(=O)O 1857794345 IVWVAUUBEKCCJQ-QMMMGPOBSA-N 263.246 0.234 70 50 CCIA CN(Cc1cnccn1)C(=O)CSc1nnc(N)s1 216908589 ZLKZRAQWDBFNEU-UHFFFAOYSA-N 296.381 0.661 70 50 CCIA COC(=O)[C@@H]1Cc2c(cccc2OS(=O)(=O)F)N1 1875390027 LYLUHIHZUYQMFU-QMMMGPOBSA-N 275.257 0.789 70 50 CCIA NS(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1 100152640 LLFQHNCOIPUFIJ-UHFFFAOYSA-N 255.704 0.262 70 50 CCIA O=C(Cn1cnnn1)N[C@@H]1CCCc2sccc21 159893845 PYVYYZWYOBKORL-SECBINFHSA-N 263.326 0.928 70 50 CCIA C[C@@H](CC(=O)N1CCc2n[nH]cc2C1)N1CCOCC1 218122909 NRZRBQBMQJRHDR-NSHDSACASA-N 278.356 0.405 70 50 CCIA CO[C@@H]1CCOC[C@H]1NC(=O)CCc1ccncc1 218666490 PGARHYQXGYWSBY-CHWSQXEVSA-N 264.325 0.934 70 50 CCIA CN(Cc1nc2c(n1C)CCCC2)S(=O)(=O)F 1875375210 VBJOHMIVSCZMSB-UHFFFAOYSA-N 261.322 0.945 70 50 CCIA CCC[C@@H](NC(C)=O)C(=O)N(C)Cc1cc[nH]n1 217941510 MFJIWCWZWIGQDX-LLVKDONJSA-N 252.318 0.673 70 50 CCIA Cc1nc([C@H]2CCCN(C(=O)CN3CCOC3=O)C2)no1 217675062 HKHQIQXZRZZUKB-JTQLQIEISA-N 294.311 0.536 70 50 CCIA Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CCOC[C@H]1O 218008841 IIMRUAUCESSISK-GHMZBOCLSA-N 289.328 0.562 70 50 CCIA CN(C)CCN1CCN(c2ccc(Cl)cn2)C[C@@H](O)C1 217033019 HPYMKGYGPYQAHG-ZDUSSCGKSA-N 298.818 0.780 70 50 CCIA CN(C)[C@@H]1[C@@H](NC(=O)c2cncc(F)c2)[C@H]2CCO[C@H]21 218338216 ISHNFQICHNIRPD-YVECIDJPSA-N 279.315 0.668 70 50 CCIA Cn1c(C(=O)N2CCN3CCCC[C@@H]3C2)cccc1=O 161455869 FCTHSDZXHDWBIZ-GFCCVEGCSA-N 275.352 0.696 70 50 CCIA O=C(O)c1cc(S(=O)(=O)F)cc(S(=O)(=O)F)c1 100503332 JVUMJYYUWBWCAE-UHFFFAOYSA-N 286.233 0.701 70 50 CCIA CC(=O)N1CC(Nc2ccc(OCC(N)=O)cc2)=CC1=O 218615837 HHSSEXDDPODDBX-UHFFFAOYSA-N 289.291 0.235 70 50 CCIA Cc1nccn1CC(=O)N(C)CC1CCN(CCO)CC1 218007848 NCYDXYIOIWWGGK-UHFFFAOYSA-N 294.399 0.354 70 50 CCIA Cc1nc([C@H](C)NC(=O)CN(C)Cc2ccncc2)n[nH]1 217563290 QSDCVFORKFNZMW-JTQLQIEISA-N 288.355 0.817 70 50 CCIA COCC(=O)N[C@H](c1ccc(OC)nc1)C1CC(O)C1 218431433 FLPJZGPVIKAMMK-QIMFLAQGSA-N 280.324 0.665 70 50 CCIA C[C@H](O)c1cc2n(n1)CCN(Cc1cccnc1N)C2 217212851 AHUHIHLOGFYYDL-JTQLQIEISA-N 273.340 0.929 70 50 CCIA C[C@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)F)c1 460087698 ATMGSDOZADDYLQ-SSDOTTSWSA-N 292.313 0.535 70 50 CCIA C[C@@H](C(=O)NCCSc1nccn1C)n1cncn1 217460819 LSKQQZXIOVLVMY-VIFPVBQESA-N 280.357 0.481 70 50 CCIA CO[C@@H]1CCOC[C@H]1NC(=O)CCc1ccccn1 217110041 BEORYUXAEHTCNP-CHWSQXEVSA-N 264.325 0.934 70 50 CCIA Cc1oc(S(=O)(=O)Cl)cc1S(C)(=O)=O 1535645126 VOEBHFLRXJNMEH-UHFFFAOYSA-N 258.704 0.919 70 50 CCIA COc1ccc([C@H](CC(N)=O)c2c(C)[nH][nH]c2=O)cc1O 218275334 HBHWYIKHVCDOFQ-VIFPVBQESA-N 291.307 0.733 70 50 CCIA Cc1cnccc1CNC(=O)c1c[nH]nc1-n1cnnn1 217677707 LGEQAZKACJTNFN-UHFFFAOYSA-N 284.283 0.019 70 50 CCIA C[C@H](C(=O)NCCSc1nccn1C)n1cncn1 217460905 LSKQQZXIOVLVMY-SECBINFHSA-N 280.357 0.481 70 50 CCIA CN(Cc1cc(C2CC2)[nH]n1)C(=O)Cn1cc(N)cn1 217579981 DGFVGPSATGZUQN-UHFFFAOYSA-N 274.328 0.724 70 50 CCIA CN1CCC[C@@H](C(=O)NCCc2ccnn2C)C1 216996421 FRRONAWTGCYRBY-LLVKDONJSA-N 250.346 0.421 70 50 CCIA O=C(NCCc1n[nH]c(=O)[nH]1)[C@H](O)c1ccccc1Cl 217073746 JGPGEGYBPQALFV-SNVBAGLBSA-N 296.714 0.144 70 50 CCIA O=C(Cc1ccc(O)c(Cl)c1)NC[C@@]1(O)CCNC1 217789248 OLZZEKCWTAJWRH-CYBMUJFWSA-N 284.743 0.429 70 50 CCIA O=C(CCCn1cncn1)N1CCC(n2cnnc2)CC1 217340213 CDXGIDOHZOLVFL-UHFFFAOYSA-N 289.343 0.514 70 50 CCIA O=C1NC[C@@]2(CCCN(C(=O)c3ccoc3)C2)O1 217807663 APEHHAHDTMIRGE-GFCCVEGCSA-N 250.254 0.994 70 50 CCIA CC(=O)N1CC(Nc2ccc3[nH]c(=O)[nH]c3c2)=CC1=O 218510729 SLTIPAPOXLAPHE-UHFFFAOYSA-N 272.264 0.541 70 50 CCIA CS(=O)(=O)N[C@@H]1COCC[C@H]1Oc1ccccn1 218603027 DEHOTIHVLSCHBY-NXEZZACHSA-N 272.326 0.167 70 50 CCIA Cc1nn(C)c(C)c1OCC(=O)N1CCC[C@@H]1CN 160333338 VNHFYJGABIAQQU-LLVKDONJSA-N 266.345 0.365 70 50 CCIA O=C(N[C@@H]1CCOC[C@H]1Oc1ccccn1)c1ncn[nH]1 218186508 PYPVWURCDAHYBY-NXEZZACHSA-N 289.295 0.166 70 50 CCIA COc1ccc(OCC(=O)N[C@H]2CN(C)C[C@@H]2OC)cc1 218735722 NQNXBMYVPJLTJW-KBPBESRZSA-N 294.351 0.519 70 50 CCIA C[C@@H](Oc1ccc(OS(=O)(=O)F)cc1)C(N)=O 1875374471 RTIRJZPNMVEFDL-ZCFIWIBFSA-N 263.246 0.532 70 50 CCIA Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2ccnn2C)o1 218228516 SLEKWKNYBQSPQM-MRVPVSSYSA-N 277.280 0.395 70 50 CCIA C[C@H](Cn1cncn1)NC(=O)c1n[nH]c(=O)c2ccccc12 217655838 IUHOLTWMXIJGFC-SECBINFHSA-N 298.306 0.333 70 50 CCIA OCc1cc2n(n1)CCCN(C1CCOCC1)C2 217905945 ZMLMEBHMJNWKGL-UHFFFAOYSA-N 251.330 0.760 70 50 CCIA Cc1[nH]ccc1C(=O)N1CCn2nc([C@H](O)CO)cc2C1 217388502 MHIWNPXASIKHIX-CYBMUJFWSA-N 290.323 0.201 70 50 CCIA CC[C@H](NC(=O)CCn1cncn1)c1cn2cccnc2n1 217451160 DUEPRLRHZGMHFF-NSHDSACASA-N 299.338 0.978 70 50 CCIA NC(=O)c1cccc(OCCC(=O)N2CC[C@@H](N)C2)c1 160319948 CGKBPUWWXOODNC-LLVKDONJSA-N 277.324 0.114 70 50 CCIA CN(C)C[C@H]1[C@@H]2CN(C(=O)c3cccc(N)n3)C[C@H]12 217613869 RTODJUKFOXPBHM-RTCCRHLQSA-N 260.341 0.543 70 50 CCIA CCCCn1ncc(NC(=O)N2CCNC(=O)C2)c1C 159911465 LIWIGWGDAIAOOW-UHFFFAOYSA-N 279.344 0.955 70 50 CCIA CCc1ccc(C(=O)NC[C@@H]2CN(C)C(=O)CO2)[nH]1 218567489 OMQDPGYDTUTYQO-SNVBAGLBSA-N 265.313 0.164 70 50 CCIA Cc1conc1NC(=O)C(=O)N1C[C@H](C)O[C@@H](C)C1 160287935 NBGSVKABZWZVIF-IUCAKERBSA-N 267.285 0.557 70 50 CCIA CC(C)C[C@@H](NC(=O)CN1CCOCC1)c1ncnn1C 218657367 NCANHQNBWFKDEH-GFCCVEGCSA-N 295.387 0.351 70 50 CCIA O=C(CCCn1cncn1)NCc1ccc2nonc2c1 218337715 MTHSQIQGEUCQOA-UHFFFAOYSA-N 286.295 0.911 70 50 CCIA Cc1cncnc1N1CCN(S(=O)(=O)F)CC1 1875374081 ZSTWHLXHTQIRBS-UHFFFAOYSA-N 260.294 0.121 70 50 CCIA O=C1CC[C@@H](C(=O)NCCc2nc3ccc(F)cc3[nH]2)N1 218116762 KKVPHAWEVSVESD-JTQLQIEISA-N 290.298 0.639 70 50 CCIA CCN1CCN(CC(=O)NCc2cc(OC)ccn2)CC1 217451950 WOZHWVYDECSVNU-UHFFFAOYSA-N 292.383 0.344 70 50 CCIA OCc1cc2n(n1)CCCN(c1ncnc3[nH]cnc13)C2 217882675 DQPQOMGYCSIHFF-UHFFFAOYSA-N 285.311 0.452 70 50 CCIA Cc1cc(=O)[nH]c(S[C@@H](C)C(=O)NCc2ncc[nH]2)n1 217870356 GONNYKAHRALTJP-QMMMGPOBSA-N 293.352 0.598 70 50 CCIA O=C(CC1CCCC1)NCCc1noc(CO)n1 217804112 MJFKKVFOHAEVPT-UHFFFAOYSA-N 253.302 0.801 70 50 CCIA CCOC(=O)c1n[nH]c(C)c1S(=O)(=O)Cl 114561529 SWEVPSMPHCKMET-UHFFFAOYSA-N 252.679 0.822 70 50 CCIA O=C(N[C@H]1CC(=O)N(CC(F)(F)F)C1)[C@@H]1CCCNC1 161326573 ZQZOENSCGLPSDS-BDAKNGLRSA-N 293.289 0.265 70 50 CCIA O=c1c2ncccc2cnn1CCS(=O)(=O)F 888095688 BNTZAFLUCJRBEA-UHFFFAOYSA-N 257.246 0.091 70 50 CCIA COC[C@H]1CCN(C(=O)CCCn2cncn2)C1 218141037 YULPOBWBTLUCDJ-NSHDSACASA-N 252.318 0.553 70 50 CCIA CCNc1nc(C)c(C(=O)NC[C@@]2(O)CCNC2)s1 216967325 QLSRCJCNMAZKID-GFCCVEGCSA-N 284.385 0.338 70 50 CCIA Cc1ncsc1CN1CCN(S(=O)(=O)F)CC1 1875373833 QDEKNPHFAZTLCF-UHFFFAOYSA-N 279.362 0.783 70 50 CCIA CC(=O)N[C@@H]1[C@@H](NC(=O)Cc2ccsc2)[C@H]2CCO[C@H]21 218375488 RDFJTDJFSZLBSP-YXCITZCRSA-N 294.376 0.699 70 50 CCIA N[C@@H]1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)C1 160223244 KZMXILVHJQWLNJ-GFCCVEGCSA-N 273.336 0.987 70 50 CCIA Cc1nnc(CN2CCn3nc(CO)cc3C2)s1 217083319 FRHOUPXYUAQELG-UHFFFAOYSA-N 265.342 0.551 70 50 CCIA CCOC(=O)[C@H]1CCCN(S(=O)(=O)Cl)C1 100289348 AYLNINMKMQOFAN-ZETCQYMHSA-N 255.723 0.745 70 50 CCIA Cc1nc([C@@H](C)NC(=O)COc2cccnc2)n[nH]1 218343311 CPGYVYAREZLNGD-MRVPVSSYSA-N 261.285 0.764 70 50 CCIA CN(C[C@@H]1COCCO1)C(=O)c1cc(Cl)c[nH]c1=O 216951028 RVMFNLVDTCOTIJ-SECBINFHSA-N 286.715 0.516 70 50 CCIA Cc1cc(N)n(CC(=O)N(C)[C@H](C)c2ccon2)n1 217216300 SBYKAKSSVYJLNM-SECBINFHSA-N 263.301 0.981 70 50 CCIA O=C(Cc1cccnc1)N1CCn2nc(CO)cc2C1 217029301 SJAXCBMHCJPHPO-UHFFFAOYSA-N 272.308 0.355 70 50 CCIA Cc1cnccc1CN(C)C(=O)c1c[nH]c(=O)[nH]c1=O 216942425 ZQFRNTURDZLGOV-UHFFFAOYSA-N 274.280 0.039 70 50 CCIA CCc1ccc(C(=O)N(CC)[C@H]2COC[C@@H]2O)[nH]1 218576670 XRSBKPBKXGVMTK-RYUDHWBXSA-N 252.314 0.799 70 50 CCIA O=S(=O)(F)c1ccc2c(c1)S(=O)(=O)CC2 675063416 SPXOIJKAYBDHDW-UHFFFAOYSA-N 250.272 0.675 70 50 CCIA COCCN(C[C@@H]1CCCO1)C(=O)Cn1ccnc1C 218754422 SWSDKINAVKASAZ-ZDUSSCGKSA-N 281.356 0.846 70 50 CCIA CC(C)(C)CN(CCn1cncn1)CCS(=O)(=O)F 1875382928 XUCCLTZCYDMXKI-UHFFFAOYSA-N 292.380 0.926 70 50 CCIA Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc2nccnc2c1 218189946 FKRSGCMDPUZEAN-JTQLQIEISA-N 297.318 0.962 70 50 CCIA CCCn1ccnc1CNC(=O)[C@@H](C)NC(=O)OC 218044014 ABCXVKLWZQUBIT-SECBINFHSA-N 268.317 0.654 70 50 CCIA Cc1nonc1CC(=O)N(C)[C@H](C)c1ccncn1 217077400 VETWQYHSNLNMPY-SECBINFHSA-N 261.285 0.930 70 50 CCIA CSCC[C@H](O)C(=O)N(C)Cc1cnccn1 217580990 DDHMBVNEMUEOKF-JTQLQIEISA-N 255.343 0.549 70 50 CCIA CCNS(=O)(=O)c1ccccc1S(=O)(=O)F 675065756 OXOUDVVTWDYSOZ-UHFFFAOYSA-N 267.303 0.643 70 50 CCIA CN(C)[C@@H]1[C@@H](NC(=O)C2CC=CC2)[C@H]2CCO[C@H]21 218310799 LGVJBWVRCSAJTC-YVECIDJPSA-N 250.342 0.786 70 50 CCIA CNC(=O)[C@@H](NC(=O)c1cnc(N)nc1C)c1ccccc1 218263595 VUYDHPANXNHXBZ-LBPRGKRZSA-N 299.334 0.584 70 50 CCIA CN(CC(=O)N(C)Cc1cnccn1)Cc1ccncc1 217050029 NYMXYDOGBFFKLT-UHFFFAOYSA-N 285.351 0.962 70 50 CCIA Cc1cc(=O)[nH]c(SCC(=O)NC[C@@H]2CCCCO2)n1 216942878 QJYCVWKBHALQRO-JTQLQIEISA-N 297.380 0.856 70 50 CCIA O=C(NCc1nnc2n1CCCC2)c1n[nH]c2c1CCC2 217761038 VAJVMXNFXYMPCM-UHFFFAOYSA-N 286.339 0.756 70 50 CCIA CNC[C@@H]1CCCN1C(=O)c1n[nH]c2ccccc2c1=O 161321053 ZFDXUGNSVBXTLX-JTQLQIEISA-N 286.335 0.747 70 50 CCIA Cc1nc2c(OS(=O)(=O)F)cccc2n(C)c1=O 1875375449 DJDNFGUDSXUDPS-UHFFFAOYSA-N 272.257 0.835 70 50 CCIA COc1ccc(F)cc1[C@H](C)NC(=O)[C@H]1C[C@@H](O)CN1 217905993 WSPIYGYIVBKHAH-MKPLZMMCSA-N 282.315 0.734 70 50 CCIA O=c1c(CN2CCOCC2)coc(O)c1CN1CCCC1 218284933 RQAYUVNIDORMSF-UHFFFAOYSA-N 294.351 0.773 70 50 CCIA N[C@H]1CC[C@@H](C(=O)N2CCN(c3ccncc3)CC2)C1 216983849 JERFQKHIYBAEAS-OLZOCXBDSA-N 274.368 0.858 70 50 CCIA CC(C)(C)S(=O)(=O)CC(=O)N[C@]1(C)CCOC1 161449549 CDRHEUZUMFGSJA-LLVKDONJSA-N 263.359 0.495 70 50 CCIA COCc1nc2n(n1)C[C@@H](Nc1ccnc(C)n1)CC2 161349537 WETJLRPOEDHQPX-JTQLQIEISA-N 274.328 0.950 70 50 CCIA O=C(Cc1ccc(O)c(Cl)c1)NC[C@]1(O)CCNC1 217789337 OLZZEKCWTAJWRH-ZDUSSCGKSA-N 284.743 0.429 70 50 CCIA CC[C@@H](NC(=O)c1cnc(O)cn1)[C@H]1C[C@H](O)C1 218099291 MXMKXPKEQDANKS-HRDYMLBCSA-N 251.286 0.462 70 50 CCIA COC(=O)N[C@@H](C)C(=O)NCc1cccnc1N 218470849 NVUVLARGYDMMSF-ZETCQYMHSA-N 252.274 0.025 70 50 CCIA N[C@@H](CO)C(=O)NCc1cc(-c2ccccc2)n[nH]1 218417719 CSGCYXNFGWGVQF-NSHDSACASA-N 260.297 0.013 70 50 CCIA C[C@H](c1cnccn1)N1CCN(S(=O)(=O)F)CC1 1875373423 ANYLWDJYXBYCMO-SECBINFHSA-N 274.321 0.370 70 50 CCIA Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1cnn2cccnc12 218288224 HQAHDVGZNYYEOA-QMMMGPOBSA-N 286.295 0.061 70 50 CCIA COC(=O)[C@H]1Cc2c(cccc2OS(=O)(=O)F)N1 1875390026 LYLUHIHZUYQMFU-MRVPVSSYSA-N 275.257 0.789 70 50 CCIA COCCNC(=O)Cn1cc(-c2ccccc2)ncc1=O 218197598 IKJJJVUJKZVMGX-UHFFFAOYSA-N 287.319 0.673 70 50 CCIA Cc1ncc(C(=O)NCCNc2ccncc2C)c(=O)[nH]1 218288332 OHPPCBGNCUTEPW-UHFFFAOYSA-N 287.323 0.624 70 50 CCIA CN1C(=O)COc2ccc(S(=O)(=O)Cl)cc21 100908496 LOHFNICBPOJDJL-UHFFFAOYSA-N 261.686 0.969 70 50 CCIA CC(=O)N[C@@H]1[C@@H](NC(=O)c2ccsc2)[C@H]2CCO[C@H]21 218117447 CTNUCADFQWIWIH-WRWGMCAJSA-N 280.349 0.770 70 50 CCIA O=C(CN1Cc2ccccc2C1=O)NCCc1c[nH]cn1 218008090 NRZULJQZNIAVKO-UHFFFAOYSA-N 284.319 0.724 70 50 CCIA biogenic Cc1cc(C(=O)NCc2cn(C)nc2C)cc(=O)[nH]1 217822488 NYUYOHZNHCKKHR-UHFFFAOYSA-N 260.297 0.655 70 50 CCIA COC1CCN(C(=O)c2cc(C)[nH]c(=O)c2)CC1 217203618 VCFQXFZUNNIVHT-UHFFFAOYSA-N 250.298 0.934 70 50 CCIA Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(O)cc1 218289747 QSPSQEBELYSRJR-JTQLQIEISA-N 261.281 0.724 70 50 CCIA O=S(=O)(O)N(CCc1ccccc1)C[C@@H](O)CCl 34132547 DDGBFRUQPSSYLL-NSHDSACASA-N 293.772 0.934 70 50 CCIA NC(=O)c1ccc2c(c1)CN(S(=O)(=O)F)CC2 1875374000 XHIBOXKLQQHKCL-UHFFFAOYSA-N 258.274 0.358 70 50 CCIA O=S(=O)(F)N1CCN(c2ncnc3c2CCC3)CC1 1776004104 JOTMRWTYJSEIKP-UHFFFAOYSA-N 286.332 0.302 70 50 CCIA CCC[C@H](NC(C)=O)C(=O)N(C)Cc1cc[nH]n1 217941591 MFJIWCWZWIGQDX-NSHDSACASA-N 252.318 0.673 70 50 CCIA Cc1cc(C(=O)NCCc2nc(N)cc(O)n2)c(C)o1 218148879 IOWZIEDVOPLCFD-UHFFFAOYSA-N 276.296 0.947 70 50 CCIA CNC[C@@H]1CCCN1C(=O)c1ccc(N2CCCC2)nn1 161351350 OOYVYTREONHEMO-LBPRGKRZSA-N 289.383 0.901 70 50 CCIA O=S(=O)(F)Oc1ccc2c(c1)CCS2(=O)=O 1875375878 RIRCUEPNNDGUEF-UHFFFAOYSA-N 266.271 0.610 70 50 CCIA O=C(Cc1ccoc1)N1CCN(S(=O)(=O)F)CC1 1875373470 BUSCVSYKPRWHLV-UHFFFAOYSA-N 276.289 0.181 70 50 CCIA Nc1cccc(C(=O)N2CCC(n3cnnc3)CC2)n1 217106863 PAPGXBJINHRNMG-UHFFFAOYSA-N 272.312 0.733 70 50 CCIA COCC[C@@H]1CN(C(=O)c2ccc(N)nc2)CCO1 218428183 MDLBZEMBASLTAN-LLVKDONJSA-N 265.313 0.541 70 50 CCIA Nc1nnc(SCC(=O)NCCc2cccnc2)s1 217473994 ULPVIUWMEOXZRS-UHFFFAOYSA-N 295.393 0.966 70 50 CCIA Cc1ncn(CCNC(=O)CCn2cncn2)c1C 217672009 CBTYHIRLVCCRDN-UHFFFAOYSA-N 262.317 0.298 70 50 CCIA Cc1n[nH]c(CN2CCN(C)[C@@H](CO)C2)c1Cl 217198814 SJNZNOBXAVXBLV-SECBINFHSA-N 258.753 0.480 70 50 CCIA CC(C)NS(=O)(=O)c1ccc(OS(=O)(=O)F)cc1 1875374220 GBHBFNRUWJQPHZ-UHFFFAOYSA-N 297.329 0.966 70 50 CCIA CN(C[C@@H]1COCCO1)C(=O)c1cccc(N)n1 217195736 KRAMFLYVULINHP-SECBINFHSA-N 251.286 0.151 70 50 CCIA CCc1ccc(C(=O)NC[C@H]2CN(C)C(=O)CO2)[nH]1 218567558 OMQDPGYDTUTYQO-JTQLQIEISA-N 265.313 0.164 70 50 CCIA CCOc1ccc(C(=O)NC[C@@H]2COCCO2)o1 217682846 MDYVRPAAWBYDCL-SECBINFHSA-N 255.270 0.824 70 50 CCIA O=C1Nc2ccccc2[C@@]12CCN(S(=O)(=O)F)C2 1875375078 PTHGBCMPNSYYQN-NSHDSACASA-N 270.285 0.797 70 50 CCIA O=C(NC1CC1)[C@@H]1CCCN(S(=O)(=O)F)C1 1875374871 HZLBOHQCLGETPN-SSDOTTSWSA-N 250.295 0.191 70 50 CCIA O=C1[C@@H]2[C@]34C=CC=C[C@@]23[C@H](C=C4)N1S(=O)(=O)Cl 104280913 PCFDZBGMSCESMU-SCVMZPAESA-N 269.709 0.979 70 50 CCIA CNc1cc(C)nc(N2CCCn3nc(CO)cc3C2)n1 217389264 MYUWFMHYIDYNLG-UHFFFAOYSA-N 288.355 0.926 70 50 CCIA Cc1ccc(NC(=O)[C@H](C)N)cc1S(=O)(=O)NC1CC1 161340680 AMRQXXPMTYWOTM-VIFPVBQESA-N 297.380 0.721 70 50 CCIA COC(=O)c1cc(OS(=O)(=O)F)cc(C(=O)OC)c1 1875389989 CRUWELBVTXSLSX-UHFFFAOYSA-N 292.240 0.853 70 50 CCIA CCc1ncc(CN2CCN(C)[C@@H](CO)C2)cn1 217097079 CEOCCEXRPAIYBX-GFCCVEGCSA-N 250.346 0.147 70 50 CCIA O=C(NCCN1CCC(O)CC1)C(=O)c1ccco1 217136639 MUSFRGSZJDTANR-UHFFFAOYSA-N 266.297 0.035 70 50 CCIA Cc1ccc(C)n1CC(=O)N1CCN(S(C)(=O)=O)CC1 218363014 VENGGHPCTLXPCW-UHFFFAOYSA-N 299.396 0.209 70 50 CCIA Cn1c(=O)n(CCS(=O)(=O)F)c2cnccc21 883952966 CODZGECAIACVML-UHFFFAOYSA-N 259.262 0.034 70 50 CCIA Cn1ncnc1CCNC(=O)c1ccc(O)cc1F 218425907 VLAPWJAIMCPTKF-UHFFFAOYSA-N 264.260 0.632 70 50 CCIA Cc1n[nH]cc1CN(C)C(=O)CN1CCC[C@H](O)C1 218708172 KIMJZGJKVBPOMC-LBPRGKRZSA-N 266.345 0.133 70 50 CCIA Cc1c[nH]c(CN(C)c2cc(C3CC(N)C3)nc(N)n2)n1 218047764 ITMXJSUILZPOHW-UHFFFAOYSA-N 287.371 0.931 70 50 CCIA CN(CC(=O)NC[C@H]1COCCO1)Cc1ccncc1 217211686 JMJHLEBKUYGFNJ-ZDUSSCGKSA-N 279.340 0.045 70 50 CCIA Cc1nc([C@@H]2CCCN(C(=O)CN3CCOC3=O)C2)no1 217674976 HKHQIQXZRZZUKB-SNVBAGLBSA-N 294.311 0.536 70 50 CCIA O=C(C1CCOCC1)N1CC(CS(=O)(=O)F)C1 1615055064 GNNYBRPARKYAHC-UHFFFAOYSA-N 265.306 0.171 70 50 CCIA Cn1ccc2ccn(CCS(=O)(=O)F)c(=O)c21 883953264 OBKDHIVRVJQRFX-UHFFFAOYSA-N 258.274 0.639 70 50 CCIA Cn1cc(S(=O)(=O)F)cc1C(=O)NCC(F)(F)F 675065219 DCZWGMDHWDHQRA-UHFFFAOYSA-N 288.222 0.975 70 50 CCIA CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1cn[nH]c1 160153848 OHNRJHYHYHNJQT-BREBYQMCSA-N 264.329 0.881 70 50 CCIA CN(CC1(CO)CCOCC1)C(=O)Cc1cccnc1 218454079 BPGBVWOOAUEDOC-UHFFFAOYSA-N 278.352 0.872 70 50 CCIA CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC[C@H]2O 216643749 IFRSYEKBTGASKA-SECBINFHSA-N 270.329 0.494 70 50 CCIA Cc1[nH]ccc1C(=O)N1CCn2nc([C@@H](O)CO)cc2C1 217388447 MHIWNPXASIKHIX-ZDUSSCGKSA-N 290.323 0.201 70 50 CCIA O=C(c1cscn1)N1CCN(S(=O)(=O)F)CC1 1776003966 HLBNBHPSTZLFDR-UHFFFAOYSA-N 279.318 0.115 70 50 CCIA Cc1nc(C)c(CC(=O)N(C)Cc2cnccn2)c(=O)[nH]1 217478822 HPRYNROIEIABEF-UHFFFAOYSA-N 287.323 0.378 70 50 CCIA C[C@H](c1ccon1)N(C)C(=O)CNC(=O)N(C)C 217766905 OBYIGEIGKDLGAJ-MRVPVSSYSA-N 254.290 0.465 70 50 CCIA Cc1nnnn1-c1cccc(C(=O)N[C@H]2C[C@@H]3OCC[C@H]23)c1 218616433 NULAZWYAEMPVKL-RDBSUJKOSA-N 299.334 0.878 70 50 CCIA Cc1cccnc1NCCNC(=O)c1cccc(=O)[nH]1 218750672 QIBIDRYPXSRTHP-UHFFFAOYSA-N 272.308 0.920 70 50 CCIA COc1ccccc1N1CC[C@@H](NC(=O)[C@@H](C)OC)C1=O 161239922 JEPYTOIFKAYXLG-GHMZBOCLSA-N 292.335 0.952 70 50 CCIA O=C(N[C@@H]1COCC[C@H]1O)c1cn2ccsc2n1 217576095 ZJJDSCQZEXYIRC-RKDXNWHRSA-N 267.310 0.275 70 50 CCIA O=C(Cn1ccc(=O)c2ccccc21)N[C@H]1CCNC1 218408391 YEUOANDZCXJQON-NSHDSACASA-N 271.320 0.480 70 50 CCIA NC(=O)[C@H]1CCCN(C(=O)c2ncn(-c3ccccc3)n2)C1 160396734 ZCRSGDWHFYAOJF-NSHDSACASA-N 299.334 0.605 70 50 CCIA Cc1noc(C)c1CC(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N(C)C 218741253 AMQQHNVICFWXEW-AQNFWKISSA-N 293.367 0.668 70 50 CCIA COC(=O)[C@H]1Cc2ccc(OS(=O)(=O)F)cc2N1 1875374095 AHPBEQYHDHEIHV-SECBINFHSA-N 275.257 0.789 70 50 CCIA Cc1nonc1CNC1CCN(S(=O)(=O)F)CC1 2325890172 IMJYKBBGIDLSCY-UHFFFAOYSA-N 278.309 0.146 70 50 CCIA O=C(NCCN1CCCOC1=O)c1cnccn1 218014078 WSPVBIDNOPAECF-UHFFFAOYSA-N 250.258 0.049 70 50 CCIA CC[C@@H](NS(=O)(=O)N1CCOCC1)c1nccs1 159953333 OYVSQAQUVFNWBE-SECBINFHSA-N 291.398 0.761 70 50 CCIA CC[C@H](NC(=O)CCn1cccn1)C1CC(O)C1 218241261 CQQNAYVBRWVJNK-MCIGGMRASA-N 251.330 0.939 70 50 CCIA O=C1NC[C@]2(CCCN(C(=O)c3ccoc3)C2)O1 217807743 APEHHAHDTMIRGE-LBPRGKRZSA-N 250.254 0.994 70 50 CCIA Cc1cc(=O)cc(C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)o1 218258900 NSOJOMJBNFSOSN-JTQLQIEISA-N 290.319 0.689 70 50 CCIA Nc1nc(CCCNC(=O)c2cnc(O)cn2)cs1 217972694 BBZYEUIZIGOOKE-UHFFFAOYSA-N 279.325 0.584 70 50 CCIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)Cc1c[nH]cn1 218690869 QDUHQPIZDBZTFX-YGNMPJRFSA-N 265.313 0.118 70 50 CCIA C[C@@H](Cn1cncn1)NC(=O)CSc1nnc(N)s1 217848742 CUJFJQDPTSGDPJ-LURJTMIESA-N 299.385 0.009 70 50 CCIA CNS(=O)(=O)c1ccc(OS(=O)(=O)F)cc1 1875374390 NLZAMJDMHVFLIV-UHFFFAOYSA-N 269.275 0.188 70 50 CCIA COCc1nc2n(n1)C[C@H](Nc1ccnc(C)n1)CC2 161349405 WETJLRPOEDHQPX-SNVBAGLBSA-N 274.328 0.950 70 50 CCIA Cc1cc(N)n(CC(=O)NC[C@@H]2CCCCO2)n1 217485547 ZTBZIKVMKPVZPP-JTQLQIEISA-N 252.318 0.459 70 50 CCIA Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1cccc2nccnc12 218134013 QSTPXHKFWTYHBZ-SNVBAGLBSA-N 297.318 0.962 70 50 CCIA Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1S(=O)(=O)Cl 97994532 BQKUAQOSSJZTSS-UHFFFAOYSA-N 274.685 0.452 70 50 CCIA O=C(c1ccccc1OS(=O)(=O)F)N1CCOCC1 1875374279 IELXQFHGIGBSJG-UHFFFAOYSA-N 289.284 0.752 70 50 CCIA Cn1cc(CN2CCN(C(=O)CCl)CC2)cn1 140479423 SRDNVWYVMHPINU-UHFFFAOYSA-N 256.737 0.303 70 50 CCIA COc1ccnc(C(=O)N2CCn3nc(CO)cc3C2)c1 218353694 QOSGKDRVPIYMEL-UHFFFAOYSA-N 288.307 0.435 70 50 CCIA CC[C@H](Cn1ccnc1)NC(=O)Cn1nc(C)cc1N 217621359 XZPLGZLCJUVFCT-LLVKDONJSA-N 276.344 0.565 70 50 CCIA Cc1nc([C@H](C)NC(=O)C2(C(N)=O)CC2)cs1 217946180 ISDJEZFGHFLIOM-LURJTMIESA-N 253.327 0.894 70 50 CCIA 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