smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CSc1ccc(CC(=O)N2CC[C@@]3(CN(C)C(=O)O3)C2)cc1 217004985 GJGDDIVVRAESDS-MRXNPFEDSA-N 320.414 2.004 70 50 DEIA O=C(N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1)c1ccon1 218501154 TTYOHCRTKJKDHX-MKTAYPAQSA-N 323.352 2.465 70 50 DEIA O=C(Cc1ccc2c(c1)OCC2)Nc1ccc2nc[nH]c(=O)c2c1 217591627 UXSPTFLKEDMTJT-UHFFFAOYSA-N 321.336 2.039 70 50 DEIA biogenic O=c1cc(C2CCC2)ncn1Cc1cccc(S(=O)(=O)F)c1 1875380981 GJOUSHCWZJIUET-UHFFFAOYSA-N 322.361 2.217 70 50 DEIA Cc1noc(C)c1CCCNC(=O)c1scc2c1OCCO2 218275367 XCXHIYGHAIVFSR-UHFFFAOYSA-N 322.386 2.487 70 50 DEIA O[C@H](c1ccc(F)cc1)C1CCN(CC2(O)CCOCC2)CC1 160107248 ROAWWSQJAILTQQ-QGZVFWFLSA-N 323.408 2.113 70 50 DEIA C[C@H]1CCC(C)(C)N1C(=O)c1cncc(OS(=O)(=O)F)c1 1875385612 XLRBKFZZQBQDMX-VIFPVBQESA-N 316.354 2.078 70 50 DEIA Cc1ccc(C(=O)N[C@@H](c2cnn(C)c2)C2CC(O)C2)cc1F 218071204 IHDBUGJEXJZPTF-LDZOIKDWSA-N 317.364 2.110 70 50 DEIA CC(C)c1noc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CC2)n1 216673951 LIAOTWBWYCFHAS-KGLIPLIRSA-N 318.421 2.026 70 50 DEIA COc1ccc(C(=O)N[C@@H]2COCC[C@H]2OC)c2ccccc12 218284131 MCYICXWCPQMDEW-NVXWUHKLSA-N 315.369 2.382 70 50 DEIA CSc1ncccc1C(=O)NCCc1nc(C2CC2)no1 217578372 DSQKJBXDJPNIOI-UHFFFAOYSA-N 304.375 2.036 70 50 DEIA C[SiH](C)Oc1c(B(O)O)ccc2cc(C(C)(C)C)ccc12 216108809 WQANPMWGFSVQDX-UHFFFAOYSA-N 302.255 2.179 70 50 DEIA Cc1ncn(CC(=O)N[C@H](c2ccccc2)c2nccn2C)c1C 218387751 DORFHOSWXQBBCX-QGZVFWFLSA-N 323.400 2.139 70 50 DEIA C[C@H](CC(=O)N1CCC(CS(=O)(=O)F)CC1)c1ccco1 2325886009 IREJHLCUJSGKFB-LLVKDONJSA-N 317.382 2.311 70 50 DEIA COC(=O)c1nc(-c2ccccc2)oc1S(=O)(=O)Cl 169795012 MOZDCIVMRJGFTP-UHFFFAOYSA-N 301.707 2.056 70 50 DEIA C[C@H]1Cc2cc(C(=O)N3CCC(n4cnnc4)CC3)ccc2O1 218755382 PHIVSPIWWWIBSX-LBPRGKRZSA-N 312.373 2.079 70 50 DEIA CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccccn2)CC1 217311343 AZTUPJARVMQULZ-UHFFFAOYSA-N 306.366 2.166 70 50 DEIA COCCn1c(C)cc(C)c(C(=O)Nc2ccc(O)cc2)c1=O 218293385 ADJTUMGBUWIKKV-UHFFFAOYSA-N 316.357 2.069 70 50 DEIA CCNc1nc(C)c(C(=O)N[C@@H](CC)Cn2ccnc2)s1 217731151 PUWWOWLWKVXBCJ-NSHDSACASA-N 307.423 2.288 70 50 DEIA O=S(=O)(F)N1CC(Oc2cccc(Cl)c2Cl)C1 1875373416 AHBIKIHRVRGSCY-UHFFFAOYSA-N 300.138 2.271 70 50 DEIA CC[C@@H](NS(=O)(=O)N1CCCCCC1)c1nccs1 159974837 AKADQCOTSOVCMA-LLVKDONJSA-N 303.453 2.305 70 50 DEIA O=S(=O)(F)Oc1ccc(-c2noc([C@H]3CCCO3)n2)cc1 1875368527 YOMDFAIYXGMYTG-SNVBAGLBSA-N 314.294 2.181 70 50 DEIA CN(C)c1ccccc1C(=O)N1CC[C@@H](N2CCCCC2)C1 217137632 LNPILNXHQKJBCH-OAHLLOKOSA-N 301.434 2.453 70 50 DEIA CCc1nccn1CCNC(=O)c1ccccc1OC(F)F 218535350 BDRIERLZMRUVNT-UHFFFAOYSA-N 309.316 2.477 70 50 DEIA Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CC[C@@H](c2cnn(C)c2)C1 160327074 BTUNKVBQBDSGHK-BXUZGUMPSA-N 315.421 2.270 70 50 DEIA Cc1cccc(CN(CCS(=O)(=O)F)CC2(C)COC2)c1 1875382838 TYROZLCTHTXWLF-UHFFFAOYSA-N 315.410 2.133 70 50 DEIA CCCN(C[C@@H]1CCCO1)C(=O)c1cc(C(C)(C)C)nc(=O)[nH]1 217062607 MPSFIKZJWLPJIZ-LBPRGKRZSA-N 321.421 2.099 70 50 DEIA O=S(=O)(F)Oc1ccc(-c2noc(C(F)(F)F)n2)cc1 1875389887 GPWALKNEGCCOBA-UHFFFAOYSA-N 312.200 2.349 70 50 DEIA CC(=O)Nc1cccc2c1ccn2CC(=O)NCc1cccn1C 218360676 JIXZTROGDJBIMU-UHFFFAOYSA-N 324.384 2.255 70 50 DEIA C[C@H](C(=O)Nc1ccc(OS(=O)(=O)F)cc1)c1cccnc1 1875384806 IUZBUMROUADRBA-JTQLQIEISA-N 324.333 2.417 70 50 DEIA C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC[C@H]1CN 160292207 DYXRTRDGDODDPD-MNOVXSKESA-N 316.323 2.422 70 50 DEIA NC1CC(c2cc(NCCN3CCCCC3)nc(C3CC3)n2)C1 218407307 UXKMHLGVNWYLQO-UHFFFAOYSA-N 315.465 2.457 70 50 DEIA CCCc1nnc(N2CCCn3nc([C@H](C)O)cc3C2)s1 217637404 BIIUWYYFWXEGJW-JTQLQIEISA-N 307.423 2.151 70 50 DEIA O=c1nc(-c2ccc(S(=O)(=O)F)cc2)[nH]c2ccccc12 685945034 PMYWSINNLCCNGL-UHFFFAOYSA-N 304.302 2.248 70 50 DEIA COc1ncccc1C(=O)NCc1ccc2c(c1)nc(C)n2C 216958122 JVHKSELSJABSLR-UHFFFAOYSA-N 310.357 2.215 70 50 DEIA O=C(OCc1ccccc1)N1CCC(CS(=O)(=O)F)CC1 238855619 SGLZBUJRROZVJH-UHFFFAOYSA-N 315.366 2.335 70 50 DEIA COc1cccc2ccn(CCC(=O)N[C@H](CO)C(C)C)c12 218328599 ORGWROFDXIESIX-CQSZACIVSA-N 304.390 2.173 70 50 DEIA O=C(OCc1ccccc1)N1CCC(S(=O)(=O)F)CC1 675063170 LLHDFGGMSFRJRE-UHFFFAOYSA-N 301.339 2.087 70 50 DEIA CS[C@H](C)CC(=O)NC1CCN(Cc2ccccn2)CC1 160063515 ZYNLAKSDQKRHTM-CYBMUJFWSA-N 307.463 2.304 70 50 DEIA CN(CCN1CCO[C@H]([C@@H]2CCCO2)C1)Cc1ccc(F)cc1 160128397 UKVAQJNZHUUGGS-ROUUACIJSA-N 322.424 2.137 70 50 DEIA CN(CCCN1CCCCCC1)c1cc(C2CC(N)C2)ncn1 218616895 KXQPRHPXBNAKCG-UHFFFAOYSA-N 317.481 2.384 70 50 DEIA CCCn1nc(C)c(CNC(=O)c2ccc3[nH]nnc3c2)c1C 218100256 UFCJDCQFOMKQDV-UHFFFAOYSA-N 312.377 2.111 70 50 DEIA Cc1[nH]c2ccccc2c1CC(=O)NCc1cnc2cnccn12 217048252 WPLBFGPGEPRQPE-UHFFFAOYSA-N 319.368 2.378 70 50 DEIA O=S(=O)(NC[B-](F)(F)F)c1cccc(Br)c1 208327696 HQVHOGZGIIDWAY-UHFFFAOYSA-N 316.915 2.114 70 50 DEIA NC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]3CCCC[C@H]32)cc1 159463354 VLAPPWUVDNEMMR-IUODEOHRSA-N 322.430 2.129 70 50 DEIA Cc1cc(CCN(CCS(=O)(=O)F)CC(C)(C)C)on1 1875382518 FBFGAHFITWVVRD-UHFFFAOYSA-N 306.403 2.173 70 50 DEIA Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@@H]3CN)cc2F)n1 160391214 PGTIFNKHUPINLN-CQSZACIVSA-N 316.380 2.192 70 50 DEIA Cc1cccc(CCN2CCCn3nc([C@@H](C)O)cc3C2)n1 217362551 QSCYFOJDQMJOCO-CQSZACIVSA-N 300.406 2.088 70 50 DEIA CC(C)Cc1cc(C(=O)N(C)[C@@H](C)c2ccncc2)nc(=O)[nH]1 216957075 RLXGYKYHIGTEQX-LBPRGKRZSA-N 314.389 2.197 70 50 DEIA C[C@@H](C1CCN(C(=O)c2cccc(N)n2)CC1)N1CCCC1 216985740 CBGODZSTVLDFLY-ZDUSSCGKSA-N 302.422 2.000 70 50 DEIA CCc1nccn1CCC(=O)N[C@@H](C)c1nnc(C(C)C)o1 217539298 ZAZIGQOPSWDYCQ-NSHDSACASA-N 305.382 2.219 70 50 DEIA O=C(Cc1ccsc1)N[C@@H](Cc1ccncc1)C1CC(O)C1 218470653 NDIUABTZOYZTPA-GPANFISMSA-N 316.426 2.184 70 50 DEIA NC[C@H]1CCCN1C(=O)c1cnc(Cc2ccc(F)cc2)s1 160324223 MDEFYCPOTFFJHQ-CYBMUJFWSA-N 319.405 2.436 70 50 DEIA CC(C)(C)OC(=O)N1CCC([C@@H](C#N)CS(=O)(=O)F)CC1 958647456 KTIPGQWXGQJXRA-NSHDSACASA-N 320.386 2.073 70 50 DEIA O=C(c1ccnnc1)N1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 217499961 DZRYEBCXMJSTTG-AWEZNQCLSA-N 311.320 2.469 70 50 DEIA CN(Cc1cc(-c2ccccn2)no1)C(=O)Cc1cccnc1 218097730 ALJJJQWRFZNCEM-UHFFFAOYSA-N 308.341 2.333 70 50 DEIA COCc1nc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)no1 218440826 SPZVDIWSSNTSJR-UHFFFAOYSA-N 320.736 2.281 70 50 DEIA CCOc1cc2c(cc1OCC)CN(S(=O)(=O)F)CC2 1875374024 XRZMMYFRUWBFCA-UHFFFAOYSA-N 303.355 2.056 70 50 DEIA O=C(NCc1cnc2cnccn12)c1ccc(N2CCCC2)cc1 217510883 SZXXLTOQXNQHRG-UHFFFAOYSA-N 321.384 2.260 70 50 DEIA Cc1n[nH]c([C@H]2CCCN(C(=O)Cn3ccc4ccccc43)C2)n1 218604129 PIUFQAGOMGZJQL-HNNXBMFYSA-N 323.400 2.474 70 50 DEIA NC[C@@H]1CCCN1C(=O)/C=C/c1cc(Br)cs1 160152547 YQWRTZVMXVAFMV-FSIBCCDJSA-N 315.236 2.474 70 50 DEIA COc1cc(C(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)ccn1 218468466 WCPKZMMSFGGFCB-ORQFMDKSSA-N 316.401 2.414 70 50 DEIA Cc1cc2c(c(=O)o1)[C@@H](c1ccc3c(c1)OCO3)CC(=O)O2 218127074 YQEQLRNLWUTTRS-SNVBAGLBSA-N 300.266 2.118 70 50 DEIA biogenic c1ccc(NC2CCC3(CC2)OCCO3)c(Cn2cncn2)c1 161152449 YHSXEBWUCRQTPT-UHFFFAOYSA-N 314.389 2.424 70 50 DEIA Cc1oncc1C(=O)NCCc1nccc(-c2ccccc2)n1 218290025 MULIKSVLVBPQTF-UHFFFAOYSA-N 308.341 2.413 70 50 DEIA CN1C[C@@]2(CCN(C(=O)c3csc4c3CCCC4)C2)OC1=O 217211319 DDCYPCVBKXIQIS-MRXNPFEDSA-N 320.414 2.294 70 50 DEIA CC(C)n1cccc1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1 218317872 LAWVGIVJBATBLQ-XLNGHYISSA-N 317.433 2.051 70 50 DEIA O=S(=O)(Cl)c1ccc(I)cc1 95731583 POXFXTSTVWDWIR-UHFFFAOYSA-N 302.520 2.219 70 50 DEIA O=C(CCCOc1ccccc1)NCc1cnn2cccnc12 218668299 FKQHFVAHAQYUSN-UHFFFAOYSA-N 310.357 2.205 70 50 DEIA Nc1nccc(C2CCN(C(=O)c3ccc(F)c(F)c3)CC2)n1 217482018 FRFLRSSJGBPJPF-UHFFFAOYSA-N 318.327 2.357 70 50 DEIA C[C@@H](NC(=O)Nc1ccnn1C[C@H]1CCOC1)c1cccnc1 159726267 QMXDKKGLWRQLRL-CHWSQXEVSA-N 315.377 2.197 70 50 DEIA CC1=CC[C@H]2CN(C(=O)c3ccnc(-n4cnnc4)c3)C[C@H]2C1 216658753 BZXWIEGJNCQDEZ-LSDHHAIUSA-N 309.373 2.091 70 50 DEIA C[C@@H](CO)NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1Cl 218419840 QKRRJQMHNFWMCS-ZETCQYMHSA-N 314.172 2.494 70 50 DEIA CCOc1cc(NC2CCN(C(=O)c3ccoc3)CC2)ncn1 161113163 CBALWLGRXXTEMI-UHFFFAOYSA-N 316.361 2.185 70 50 DEIA CC[C@H](NC(=O)CSc1ccccn1)c1ncnn1CC 218165362 HPNVAJVBLKMFSC-NSHDSACASA-N 305.407 2.053 70 50 DEIA Cn1cc(CN2CCC[C@H]2C(N)=O)c(-c2cc3ccccc3o2)n1 160346797 JUROUIDBXKYFPJ-AWEZNQCLSA-N 324.384 2.283 70 50 DEIA O=C(OCc1ccccc1)N1CCC[C@H](S(=O)(=O)F)C1 675051799 FXCSJBDQSBGTEV-LBPRGKRZSA-N 301.339 2.087 70 50 DEIA Cc1nc[nH]c1CN1CCn2nc([C@@H](O)c3ccccc3)cc2C1 217193331 CFOPFVYMCKIILJ-SFHVURJKSA-N 323.400 2.012 70 50 DEIA COC(=O)CNC(=O)c1sc(Cl)nc1-c1ccccc1 218552330 RQJGGVLYIBYTTI-UHFFFAOYSA-N 310.762 2.366 70 50 DEIA Cc1nn(-c2ccccc2)cc1CN1C[C@H]2[C@H](CN(C)C)[C@H]2C1 217420067 CKDGHKCIYZFARL-LDLYASANSA-N 310.445 2.420 70 50 DEIA CCSc1ccc(C(=O)N(C)C[C@H]2COCCO2)s1 216910514 NFKLTJIJMATTAE-JTQLQIEISA-N 301.433 2.348 70 50 DEIA Cc1cccc2[nH]c(COCC(=O)N(C)Cc3cccnc3)nc12 217442706 KVSPFZLHWKZZJJ-UHFFFAOYSA-N 324.384 2.442 70 50 DEIA CC1CCN(C[C@H](O)CNc2nc(C(C)(C)C)ns2)CC1 159406290 WVGFYUUVWSYAJT-GFCCVEGCSA-N 312.483 2.340 70 50 DEIA O=C1N[C@H]2CCC[C@@H]1CN(C(=O)c1cc(Cl)ccc1F)C2 217981546 VHALSXCIBFKYAX-KOLCDFICSA-N 310.756 2.220 70 50 DEIA O=S(=O)(F)c1ccc(Nc2cnn(CC(F)(F)F)c2)nc1 888095888 DJGMWYVLUFJHCG-UHFFFAOYSA-N 324.259 2.242 70 50 DEIA CCc1nnc(CN(C)C(=O)CSc2nc(C)cs2)o1 218575888 VYMFHNIHYNNVJF-UHFFFAOYSA-N 312.420 2.148 70 50 DEIA Cc1ccccc1-n1nc(C(=O)N2CCC[C@H]2CN)c2c1CCC2 160354171 UOHPEWQBKBWHKA-AWEZNQCLSA-N 324.428 2.233 70 50 DEIA Cn1nc(OS(=O)(=O)C(F)(F)F)cc1-c1ccc(F)cc1 100265397 WIMZYFMJFWPXSW-UHFFFAOYSA-N 324.255 2.455 70 50 DEIA CSc1ncccc1C(=O)NCCc1noc(C2CCC2)n1 217582130 FMMXECQOFCHMJB-UHFFFAOYSA-N 318.402 2.427 70 50 DEIA CCO[C@H]1CN(C(=O)c2ccc(Oc3ccccc3)o2)C[C@@H]1O 218265318 AXNSNGMHXHDBNZ-ZFWWWQNUSA-N 317.341 2.294 70 50 DEIA COc1ccc2ncc(C(=O)NCC3CCOCC3)c(O)c2c1 218382796 CKGWMKWTCBVZLG-UHFFFAOYSA-N 316.357 2.105 70 50 DEIA CC1(C)SC[C@H]1NCc1ccc(OS(=O)(=O)F)cc1 1875385092 MPMOPYGLQJCZIW-LLVKDONJSA-N 305.396 2.263 70 50 DEIA O=C(N[C@H]1CC[C@@H](CS(=O)(=O)F)C1)OCc1ccccc1 675067013 VNVGZROFZMLZPZ-OLZOCXBDSA-N 315.366 2.381 70 50 DEIA O=C(c1cccc(-c2ncn[nH]2)c1)N1CCO[C@H]2CCCC[C@@H]21 160925492 LIPIYEYREZYPNX-GJZGRUSLSA-N 312.373 2.255 70 50 DEIA CCc1c(C)nn(CCNc2cc(C3CC(N)C3)ncn2)c1C 218761118 LPTYWLVGPATSLL-UHFFFAOYSA-N 314.437 2.169 70 50 DEIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)Nc1ccc(C(C)=O)cc1 218381515 USDBJYXXEWOYFF-JJXSEGSLSA-N 318.373 2.061 70 50 DEIA COc1ccc([C@@H]2CC(=O)Oc3cc(C)oc(=O)c32)cc1OC 218048017 AUDCNNGISXTLAD-NSHDSACASA-N 316.309 2.406 70 50 DEIA biogenic Cc1cccc([C@@H](NC(=O)CN2CCCC2=O)c2ccccn2)c1 159715597 ORUFBZZFSQVQBZ-LJQANCHMSA-N 323.396 2.218 70 50 DEIA O=C1CCC2(CCN(C(=O)c3cnc4ccccc4c3)CC2)N1 217000273 NYNCVDOLITVCAE-UHFFFAOYSA-N 309.369 2.120 70 50 DEIA O=C(c1cc(Cl)c[nH]c1=O)N(Cc1nccs1)C1CC1 218686687 PAHHLRLCJIYWTE-UHFFFAOYSA-N 309.778 2.290 70 50 DEIA O=C(N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1ncoc1C1CC1 218117618 XFJCGIIXCJHUJL-OBJOEFQTSA-N 313.357 2.189 70 50 DEIA O=C(NCC1(O)CCCCC1)Nc1ccn(CC(F)(F)F)n1 160800542 SVLGSPJSDIYSPC-UHFFFAOYSA-N 320.315 2.262 70 50 DEIA Cc1cncnc1C1CCN(c2cc(C3CC(N)C3)ncn2)CC1 218363963 OPBNJUVQZGNGGP-UHFFFAOYSA-N 324.432 2.164 70 50 DEIA COc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@@H]3CSCN3)C2)cc1 161309625 OOYZJFIWMDNLNQ-LNSITVRQSA-N 306.431 2.062 70 50 DEIA OCc1cc2n(n1)CCN(Cc1c[nH]nc1C1CCCCC1)C2 217489841 OPUAZXWNBHPEAJ-UHFFFAOYSA-N 315.421 2.162 70 50 DEIA CC(C)(F)COc1ccc2c(c1)CCN(S(=O)(=O)F)C2 1875374783 FBEAAJWCMWHLGD-UHFFFAOYSA-N 305.346 2.386 70 50 DEIA Cn1cc(C(=O)NCc2cnc3cnccn23)c2ccccc21 217180479 AAHMOQCUFBTBKE-UHFFFAOYSA-N 305.341 2.151 70 50 DEIA Cc1noc2nc3c(c(C(=O)NCc4ccncc4)c12)CCC3 218429311 CRYBLDLKHNGGLO-UHFFFAOYSA-N 308.341 2.345 70 50 DEIA O=C(NC[C@@H]1CCCN(c2ccccn2)C1)C(=O)c1ccccc1 218578947 SWFNIZPZDGRMDB-HNNXBMFYSA-N 323.396 2.297 70 50 DEIA Cc1nccn1CC[C@H]1CCCCN1C(=O)C(=O)c1ccco1 217080146 JCMUDXTXHZWRJL-CQSZACIVSA-N 315.373 2.439 70 50 DEIA O[C@H]1C[C@@H]([C@@H](NC2CSCCSC2)c2ccccn2)C1 218094992 KOOTWHCJWSHFQG-UXIGCNINSA-N 310.488 2.332 70 50 DEIA CCn1cc(-c2nc(C)nn2Cc2ccc3c(c2)OCO3)cn1 217735038 SQGGHRYOIZYSQC-UHFFFAOYSA-N 311.345 2.247 70 50 DEIA Cn1cc(CN(C(=O)CSc2ccncc2)C2CC2)cn1 218382412 DCJQIIPTECLDPW-UHFFFAOYSA-N 302.403 2.098 70 50 DEIA CC(C)Cc1cc(C(=O)NCCCC[C@@H]2CCCO2)nc(N)n1 218274740 UZQKFCFOEQYPIJ-CQSZACIVSA-N 320.437 2.336 70 50 DEIA O=C(CCn1cccn1)N[C@@H](Cn1ccnc1)c1ccccc1 218611551 PPKAQDQZRMNYBO-INIZCTEOSA-N 309.373 2.027 70 50 DEIA COCCC(=O)N[C@@H](c1ccncc1)c1ccc(OC)cc1 218328338 DDECAONKTUIFQQ-QGZVFWFLSA-N 300.358 2.332 70 50 DEIA CN(Cc1cnccn1)C(=O)[C@@H]1Cc2cc(Cl)ccc2N1 216921121 IPJQLDMZYXJKGQ-AWEZNQCLSA-N 302.765 2.125 70 50 DEIA C[C@@H]1Cc2cc(C(=O)N3CCC(n4cnnc4)CC3)ccc2O1 218755336 PHIVSPIWWWIBSX-GFCCVEGCSA-N 312.373 2.079 70 50 DEIA COc1ccc(F)cc1C(=O)NCCCc1csc(N)n1 218708454 HIMPPQCPTJSOCP-UHFFFAOYSA-N 309.366 2.236 70 50 DEIA O=C(CCc1ccccn1)N[C@@H]1CCOC[C@H]1OCC1CCC1 218763836 UQJAUUBBZLUARO-IAGOWNOFSA-N 318.417 2.105 70 50 DEIA Cc1cc(N)n(CC(=O)N2CC[C@@H](c3ccccc3Cl)C2)n1 217700057 MGYVHGLBEBLZBD-GFCCVEGCSA-N 318.808 2.443 70 50 DEIA COCC[C@@H]1CCCCN1C(=O)c1ccc(OC)nc1OC 218669391 LWHKLPWEZOVQSX-LBPRGKRZSA-N 308.378 2.130 70 50 DEIA O=C(NC1CCN(c2ccccc2F)CC1)C(=O)c1ccco1 217074737 RWNVEXCGWAXUQI-UHFFFAOYSA-N 316.332 2.387 70 50 DEIA C[C@@H]1CCCC[C@@H]1N(CCS(=O)(=O)F)Cc1ccon1 1875382837 TYKDBKYTAGHWQM-YPMHNXCESA-N 304.387 2.355 70 50 DEIA C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1C(=O)[C@@H]1CCCNC1 159549742 VDKBQOBACIXSPZ-WTTBNOFXSA-N 302.418 2.363 70 50 DEIA Cn1cc(CN2CCC[C@@H]2C(N)=O)c(-c2cc3ccccc3o2)n1 160346663 JUROUIDBXKYFPJ-CQSZACIVSA-N 324.384 2.283 70 50 DEIA COC(=O)C[C@@H](c1ccc(O)cc1)c1c(O)cc(C)oc1=O 218108090 CDYAPEISKFWCSO-LBPRGKRZSA-N 304.298 2.054 70 50 DEIA biogenic Cc1ccccc1SCC(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2C 218018743 CZPLKZFHXMCYDT-KGLIPLIRSA-N 318.442 2.166 70 50 DEIA O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)F 238854422 NPGDOVBDBZKJDM-UHFFFAOYSA-N 302.052 2.155 70 50 DEIA NC1CC(c2cc(NCc3cc(-c4cccnc4)no3)ncn2)C1 218703434 CXGAWGXTDILSHS-UHFFFAOYSA-N 322.372 2.343 70 50 DEIA O[C@H]1CN(Cc2cc3ccccc3[nH]2)CCN(c2ccncc2)C1 217195808 GTYCTVBXEVRPQL-SFHVURJKSA-N 322.412 2.246 70 50 DEIA Cc1c[nH]nc1C1CCN(C(=O)Cn2ncc3ccccc32)CC1 217189023 ZKTSHHUVVBQPIF-UHFFFAOYSA-N 323.400 2.474 70 50 DEIA C[C@H](NC(=O)c1cncc(OS(=O)(=O)F)c1)c1ccccc1 1875384611 HDPGIWXGNQWHLJ-JTQLQIEISA-N 324.333 2.166 70 50 DEIA CSc1ncccc1C(=O)N(C)CCCc1nccn1C 218567160 NNLGJYHIQJSASX-UHFFFAOYSA-N 304.419 2.242 70 50 DEIA CN(C(=O)C[C@H]1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 160317825 QJCUERYXSZSJGH-OLZOCXBDSA-N 301.452 2.238 70 50 DEIA O=c1c(NCc2cccc(Cl)c2)c(N2CCSCC2)c1=O 218194394 RKXJLMYQVGCCEZ-UHFFFAOYSA-N 322.817 2.101 70 50 DEIA COc1ncccc1C(=O)NCc1c[nH]nc1-c1ccccc1 218719136 WMNWEFQTGDHROK-UHFFFAOYSA-N 308.341 2.410 70 50 DEIA COc1cc2c(cc1CN1C[C@@H]3CC[C@H](C1)[C@@H]3OC)OCCO2 216998738 BZCNCBQTGZFDPR-MCBXIFIFSA-N 319.401 2.323 70 50 DEIA CCn1c(CNC(=O)[C@@H](C)Cn2cccn2)nc2ccccc21 217207185 UGKLDYIGIVKGEA-ZDUSSCGKSA-N 311.389 2.205 70 50 DEIA O=C1Nc2ccc(S(=O)(=O)Cl)cc2C1(Cl)Cl 100000500 XXQVRYBFEWKZBM-UHFFFAOYSA-N 300.550 2.197 70 50 DEIA in-vitro Cc1cc([C@@H](C)NC(=O)CNC[C@@H]2CCCO2)cc(C)c1F 161298524 LPMGGCSOSGFHJJ-HIFRSBDPSA-N 308.397 2.388 70 50 DEIA Cc1occc(=O)c1OCC(=O)N[C@@H](C)CCc1ccccc1 218512184 MMZZTFFRDMAZTC-ZDUSSCGKSA-N 315.369 2.465 70 50 DEIA Cc1cc(C(=O)NCCc2noc(C(F)(F)F)n2)c(C)o1 217453453 AGPVGPXKPQJCBX-UHFFFAOYSA-N 303.240 2.271 70 50 DEIA COc1nc(C)ccc1C(=O)Nc1cccc(S(=O)(=O)F)c1 460090783 IKACOMBEGUUCKV-UHFFFAOYSA-N 324.333 2.309 70 50 DEIA CCOc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OC)cc1Cl 218784273 SWKKXRGFCSQNOE-TZMCWYRMSA-N 313.781 2.272 70 50 DEIA Cc1ccccc1[C@@H]1CN(C(=O)[C@@H]2CCCNC2)[C@@H](C)CO1 161469720 SFALZMSMOAJHBX-UXLLHSPISA-N 302.418 2.283 70 50 DEIA O=C(NCCc1c[nH]cn1)c1cnc2c(Cl)cccc2c1O 218252900 JPQBOVWDGRXOSQ-UHFFFAOYSA-N 316.748 2.289 70 50 DEIA C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC[C@H]1CN 160292064 DYXRTRDGDODDPD-QWRGUYRKSA-N 316.323 2.422 70 50 DEIA Cc1ncn(CC(=O)N[C@@H](c2ccccc2)c2nccn2C)c1C 218387839 DORFHOSWXQBBCX-KRWDZBQOSA-N 323.400 2.139 70 50 DEIA COc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@H](N)CCSC)C2)cc1 161315062 ANWFZRYLZBRCOV-JGGQBBKZSA-N 322.474 2.480 70 50 DEIA Nc1nc(NCCc2ccccc2F)cc(C2CC(N)C2)n1 218351099 VBMDIDQZLOEHPW-UHFFFAOYSA-N 301.369 2.057 70 50 DEIA O=C1c2ccccc2C(=O)[C@@H]2C=CC(S(=O)(=O)Cl)=C[C@@H]12 390834904 OZOQAOHRHZKIAY-VXGBXAGGSA-N 308.742 2.320 70 50 DEIA O=C(OCc1ccccc1)N1CCC[C@@H](S(=O)(=O)Cl)C1 100628550 MCYGNOGDLRRQSD-GFCCVEGCSA-N 317.794 2.356 70 50 DEIA in-vitro Cc1ccccc1-n1nc(C(=O)N2CCC[C@@H]2CN)c2c1CCC2 160354033 UOHPEWQBKBWHKA-CQSZACIVSA-N 324.428 2.233 70 50 DEIA COc1ccc(/C=C/CN2CCCn3nc(CO)cc3C2)cc1 218147543 GDZPAYDNAZFZQA-DUXPYHPUSA-N 313.401 2.303 70 50 DEIA Cc1ccccc1N(C)C(=O)c1cncc(OS(=O)(=O)F)c1 1875384388 GKWFPVTYDUVVLX-UHFFFAOYSA-N 324.333 2.260 70 50 DEIA C[C@@H](NC(=O)Nc1ccnn1C[C@@H]1CCOC1)c1cccnc1 159726015 QMXDKKGLWRQLRL-OLZOCXBDSA-N 315.377 2.197 70 50 DEIA O=C(N[C@@H](Cc1ccncc1)[C@H]1C[C@H](O)C1)c1cc(Cl)c[nH]1 218065417 AFDYOMVUTJXBIL-YUTCNCBUSA-N 319.792 2.175 70 50 DEIA Cn1cc(C(=O)NCc2cnn3cccnc23)c2ccccc21 217910745 HPYCKRXOXAJLQK-UHFFFAOYSA-N 305.341 2.151 70 50 DEIA O=C(c1ccsc1)N1CCCO[C@@H](CN2CCCCC2)C1 217442859 DZZIDTQDTXTVGE-HNNXBMFYSA-N 308.447 2.465 70 50 DEIA Cc1cc(CN(CCS(=O)(=O)F)c2cnn(C)c2)cs1 1875382857 UJWBDDALVLTBDG-UHFFFAOYSA-N 317.411 2.096 70 50 DEIA CSc1ncccc1C(=O)N(C)[C@H](C)Cc1cnccn1 218385387 KURPDEBTZXEALE-LLVKDONJSA-N 302.403 2.297 70 50 DEIA O=C(NCc1cccs1)N1CCN(c2cccc(O)c2)CC1 159685039 OWKXLQDVSMUHBT-UHFFFAOYSA-N 317.414 2.486 70 50 DEIA CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@H]1CSCN1 161057383 DEBNNHRYGNWJAZ-WQAKAFBOSA-N 314.838 2.195 70 50 DEIA CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@@H]1CSCN1 161055911 DEBNNHRYGNWJAZ-ICCXJUOJSA-N 314.838 2.195 70 50 DEIA COC[C@H](O)CCNC(=O)CCCc1c[nH]c2ccccc12 161364132 GCKILFWEWRALPX-CQSZACIVSA-N 304.390 2.004 70 50 DEIA CN(Cc1ccccc1F)c1cc(C2CC(N)C2)nc(N)n1 218250715 QLGXNNISNCUUQK-UHFFFAOYSA-N 301.369 2.039 70 50 DEIA COC(=O)[C@H](C)Nc1ccc(N2CCOC(C)(C)C2)cc1OC 160278163 GITYMMFBYANCBS-LBPRGKRZSA-N 322.405 2.284 70 50 DEIA Cc1oncc1NC(=O)c1cc(N2CCNC2=O)c(F)cc1F 160928252 RHZBVLRBRIGZLR-UHFFFAOYSA-N 322.271 2.043 70 50 DEIA CCCCN1CCN(C(=O)Cc2cc(F)ccc2C)CC1=O 218073771 KAZUKSPNWVQXEH-UHFFFAOYSA-N 306.381 2.148 70 50 DEIA C[C@H](NC(=O)c1cccc(=O)[nH]1)c1cnn(-c2ccccc2)c1 216977240 DWYLRSBTPUVZEA-LBPRGKRZSA-N 308.341 2.052 70 50 DEIA O=S(=O)(OC(C(F)(F)F)C(F)(F)F)C(F)(F)F 95682111 NRHQWNHARTXNOE-UHFFFAOYSA-N 300.098 2.346 70 50 DEIA in-vitro CCn1cnnc1CCNC(=O)c1c(O)ccc2ccccc12 218270064 SZMWLUONASWFJI-UHFFFAOYSA-N 310.357 2.129 70 50 DEIA CC[C@@H](C)[C@@H](CO)NC(=O)CCCc1nc(-c2ccco2)no1 218377547 YVQYKAPLAFCKTC-VXGBXAGGSA-N 321.377 2.176 70 50 DEIA Cc1cc(C[C@@H](C)NC(=O)Nc2cnc(C3CC3)nc2)n[nH]1 159589321 CQCSJPFVGPQKOU-SECBINFHSA-N 300.366 2.138 70 50 DEIA COC[C@H](c1ccc(C)o1)N(CCS(=O)(=O)F)CC1CC1 1875382871 VCWHEVPBWXTBRM-CYBMUJFWSA-N 319.398 2.287 70 50 DEIA COc1ccc(Cn2ncnc2CCn2c(C)cccc2=O)cc1 217679025 TXVMLWOAFAUTQS-UHFFFAOYSA-N 324.384 2.048 70 50 DEIA CCc1ccc(CN2CCCn3nc([C@H](C)O)cc3C2)nc1 218458014 VHSVQZVPLHVUQO-ZDUSSCGKSA-N 300.406 2.300 70 50 DEIA CCc1ccc(CN2CCCn3nc([C@@H](C)O)cc3C2)nc1 218457935 VHSVQZVPLHVUQO-CYBMUJFWSA-N 300.406 2.300 70 50 DEIA COc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@H](N)CCSC)C2)cc1 161314937 ANWFZRYLZBRCOV-XNRPHZJLSA-N 322.474 2.480 70 50 DEIA Cc1nnc(CNC(=O)C(C)(C)Oc2ccc3c(c2)CCC3)o1 217660183 AVZIZCOJKFSCHQ-UHFFFAOYSA-N 315.373 2.341 70 50 DEIA CC[C@@H](C)[C@@H](CO)NC(=O)c1nc(-n2cccc2)sc1C 218135335 DHKDLTSPLMBISV-ZYHUDNBSSA-N 307.419 2.379 70 50 DEIA CCCC(=O)Nc1ccc(OS(=O)(=O)F)c(C(C)=O)c1 1875375705 LQXIGDWQMWDOND-UHFFFAOYSA-N 303.311 2.221 70 50 DEIA COC(=O)C[C@H](c1ccncc1)c1cc2c(cc1O)OCO2 218088272 QKKAVASZXLXXQU-LLVKDONJSA-N 301.298 2.211 70 50 DEIA biogenic O=C(NCCCn1ccnn1)[C@H]1CCCc2c1[nH]c1ccccc21 218473919 CHSJRCKESONCNH-HNNXBMFYSA-N 323.400 2.386 70 50 DEIA CC(=O)N1CC(Nc2ccc(-c3nc(C4CC4)n[nH]3)cc2)=CC1=O 218509477 PDUZEAMGTKYIJY-UHFFFAOYSA-N 323.356 2.034 70 50 DEIA O=S(=O)(NC[B-](F)(F)F)c1ccc(Br)cc1 198026240 OPIZTUXLTROWCI-UHFFFAOYSA-N 316.915 2.114 70 50 DEIA NC[C@H]1CCCN1C(=O)/C=C/c1cc(Br)cs1 160152395 YQWRTZVMXVAFMV-HMDXOVGESA-N 315.236 2.474 70 50 DEIA Cc1cc(C(=O)NC2(c3ccc(F)cc3F)CCOCC2)[nH]n1 161147210 CHJKCGOKUUNHSE-UHFFFAOYSA-N 321.327 2.432 70 50 DEIA CC(C)(O)[C@H]1CCN(C(=O)COc2ccc(F)c(Cl)c2)C1 218284301 FTVWLSNCAIKXMT-JTQLQIEISA-N 315.772 2.477 70 50 DEIA Cc1cc(C(=O)NCCc2noc(-c3ccccc3)n2)nc(C)n1 217017727 BAIFZVPAYZIHQJ-UHFFFAOYSA-N 323.356 2.116 70 50 DEIA Cc1ccc(NC(=O)c2cncc(OS(=O)(=O)F)c2)cc1 1875385278 PYILZOOVGKYEIM-UHFFFAOYSA-N 310.306 2.235 70 50 DEIA CC(C)[C@@H](CO)NC(=O)Cc1ccc2c(c1)CCC(C)(C)O2 217668105 QZTUTERZLDLVGO-OAHLLOKOSA-N 305.418 2.466 70 50 DEIA biogenic NC[C@H]1CCCN1C(=O)COc1ccc(C(F)(F)F)cc1 160310139 CUFKIVRLLQPTDC-LLVKDONJSA-N 302.296 2.034 70 50 DEIA Cc1ccccc1CC(=O)N[C@@H]1COCC[C@@H]1OCC1CC1 218531526 JGXLWWURKMLJSO-SJORKVTESA-N 303.402 2.238 70 50 DEIA C/C=C/CC(=O)N1CCN(Cc2ccc(C)c(C)c2)C(=O)C1 218636664 URZGEEKKRHMEBZ-SNAWJCMRSA-N 300.402 2.440 70 50 DEIA Cc1[nH]c2c(F)cc(F)cc2c1CCNC(=O)c1cnc[nH]1 217049953 DNOINZMOJZMUMP-UHFFFAOYSA-N 304.300 2.450 70 50 DEIA NC1CC(c2cc(NCCC34CCCN3CCC4)ncn2)C1 218039480 SXKFWRNYTHPNJO-UHFFFAOYSA-N 301.438 2.112 70 50 DEIA O=C(CCCNc1ncccn1)NCCn1ccc2ccccc21 218420613 NMDSGCMVWYBKQV-UHFFFAOYSA-N 323.400 2.440 70 50 DEIA O=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1cscn1 218170745 PZPVEJZNCHAXKD-HIFRSBDPSA-N 318.398 2.247 70 50 DEIA O=S(=O)(F)N1CCOC[C@@H]1c1ccc(C(F)(F)F)cc1 1875374630 AUKIPOQTPRNXPA-SNVBAGLBSA-N 313.272 2.293 70 50 DEIA CC(C)c1nc(CCNC(=O)Cc2ccc(O)c(Cl)c2)no1 218598366 NLBVFQPPWUFXPT-UHFFFAOYSA-N 323.780 2.453 70 50 DEIA N[C@H]1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2Cl)C1 216717339 OQIOIVVMLLKNAW-YUMQZZPRSA-N 309.218 2.152 70 50 DEIA O=S(=O)(NC[B-](F)(F)F)c1ccccc1Br 208327753 VUQSWXHQRHVVIM-UHFFFAOYSA-N 316.915 2.114 70 50 DEIA in-vitro O=C(NCCc1nc2ccccc2o1)c1c[nH]c(=O)c(Cl)c1 218409730 QTTWQGCNHJUYDE-UHFFFAOYSA-N 317.732 2.142 70 50 DEIA Cc1nnc(CCNC(=O)Cc2cn(C)c3ccccc23)s1 216943417 CYEQOIGTNIGZPJ-UHFFFAOYSA-N 314.414 2.240 70 50 DEIA C=Cc1ccc(N2CCN(Cc3ccccc3)C[C@@H](O)C2)nc1 216978575 YCGIXJYTACHRRL-GOSISDBHSA-N 309.413 2.408 70 50 DEIA Cc1nc(N2CCOCC2)ccc1NC(=O)N(C)CCC1CC1 160581851 XNWVSHPLIMADII-UHFFFAOYSA-N 318.421 2.490 70 50 DEIA C[C@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)[C@@H](O)c2ccccc2)C1 161489403 UGOURROCLNPOEC-DLTWYDFYSA-N 304.434 2.203 70 50 DEIA C[C@H](O)c1cc2n(n1)CCCN(c1ncnc3ccsc13)C2 217453831 UALAXBQZZXPLCB-JTQLQIEISA-N 315.402 2.351 70 50 DEIA O=C(NCc1ccccc1)c1cccc(OS(=O)(=O)F)c1 1875368543 ZPNMMFDNGWLNHI-UHFFFAOYSA-N 309.318 2.210 70 50 DEIA COc1ccc(CNC(=O)CN[C@H]2CC(C)(C)OC2(C)C)cc1 161008062 OGGXBHGYXQWXOQ-HNNXBMFYSA-N 320.433 2.247 70 50 DEIA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1cncc(F)c1 218684341 IRMNDCFOHDKYRR-CABCVRRESA-N 308.353 2.091 70 50 DEIA CCc1oc2ccccc2c1C(=O)N(C)CC(=O)NC1CC1 160734810 VXEOEOCVTUWPCV-UHFFFAOYSA-N 300.358 2.346 70 50 DEIA O=[N+]([O-])c1ccc(OS(=O)(=O)C(F)(F)F)c(Cl)c1 100542002 NFBMXHSVOJFYEM-UHFFFAOYSA-N 305.617 2.477 70 50 DEIA CC(C)(O)[C@@H]1CCN(C(=O)COc2ccc(F)c(Cl)c2)C1 218284237 FTVWLSNCAIKXMT-SNVBAGLBSA-N 315.772 2.477 70 50 DEIA NC(=O)CN1C(=O)c2cc3ccccc3cc2Oc2ncccc21 218543814 QYSHMMQINAGPBP-UHFFFAOYSA-N 319.320 2.473 70 50 DEIA C[C@H](C(=O)NCc1cc(C(C)(C)C)n[nH]1)n1cc(Cl)cn1 218391522 LDIVVFRKRQEBBY-SECBINFHSA-N 309.801 2.435 70 50 DEIA Cn1cc(CNC(=O)CCC(=O)NC2CCCCCCC2)cn1 217419754 BOHIRHJDWXAHCT-UHFFFAOYSA-N 320.437 2.046 70 50 DEIA Cc1cc([C@H](C)NC(=O)CNC[C@@H]2CCCO2)cc(C)c1F 161298624 LPMGGCSOSGFHJJ-ZFWWWQNUSA-N 308.397 2.388 70 50 DEIA Cn1nc2cc(Br)ccc2c1S(=O)(=O)Cl 103538700 GDJZBZOTIHWXJD-UHFFFAOYSA-N 309.572 2.263 70 50 DEIA C[C@@H]1CCCC[C@H]1N(CCS(=O)(=O)F)Cc1ccon1 1875382835 TYKDBKYTAGHWQM-DGCLKSJQSA-N 304.387 2.355 70 50 DEIA CCCCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N(C)Cc1ccon1 217502017 LXUWZKOKFKWGRL-CABCVRRESA-N 319.405 2.132 70 50 DEIA CC(=O)c1ccc2c(c1O)[C@@H](c1cnn3cccnc13)CC(=O)O2 218259264 JJBIKUGZXVPUMO-LLVKDONJSA-N 323.308 2.079 70 50 DEIA OCC1(CN2CCCC2)CCN(Cc2cccc(O)c2)CC1 218016375 KNAFQWTXAMMWNQ-UHFFFAOYSA-N 304.434 2.063 70 50 DEIA COc1cccc(C(=O)N[C@@H]2CCOC[C@H]2OCC2CC2)c1F 218500378 GRDICIOPJJTTAE-UKRRQHHQSA-N 323.364 2.148 70 50 DEIA Cc1cc2cc(C(=O)N3CCn4nc(CO)cc4C3)ccc2o1 217059330 LXBRSLFRCWXAPT-UHFFFAOYSA-N 311.341 2.086 70 50 DEIA CN(Cc1cccc2ncccc12)C(=O)C(=O)c1cccnc1 216983729 QGIHIDQYMHKUOH-UHFFFAOYSA-N 305.337 2.471 70 50 DEIA CCn1nccc1CN(CCS(=O)(=O)F)[C@@H](C)C(C)C 1875382914 XBXQWIMJQBENFC-LBPRGKRZSA-N 305.419 2.049 70 50 DEIA Cn1ccnc1[C@@H](O)C1CCN(C(=O)CCC(F)(F)F)CC1 218382232 PMOMXYBWDUJRAM-LBPRGKRZSA-N 319.327 2.035 70 50 DEIA CSCC[C@H](O)C(=O)NCCc1c(C)[nH]c2ccccc12 217205362 ZVWDJJDOYORMBH-HNNXBMFYSA-N 306.431 2.249 70 50 DEIA NC[C@H]1CCCN1C(=O)c1ccn(-c2cccc(Cl)c2)n1 160207057 ZUHDOEHYIPZMSQ-CYBMUJFWSA-N 304.781 2.089 70 50 DEIA O=C(CN1CCCCCCC1)N1CCC[C@H](Cn2ccnc2)C1 218024957 KEIDKQRZVISPSZ-QGZVFWFLSA-N 318.465 2.388 70 50 DEIA COc1cccc(Cl)c1CC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 160768247 FGQBEYPBGXEORU-QWRGUYRKSA-N 324.808 2.051 70 50 DEIA CC1CCN(C[C@@H](O)CNc2nc(C(C)(C)C)ns2)CC1 159406437 WVGFYUUVWSYAJT-LBPRGKRZSA-N 312.483 2.340 70 50 DEIA Cn1cc([C@@H](NC(=O)CCc2ccsc2)[C@H]2C[C@H](O)C2)cn1 218086086 VFRVPQJTLASTBS-BJJXKVORSA-N 319.430 2.043 70 50 DEIA O=C(OCc1ccccc1)N1CCC[C@@H](S(=O)(=O)F)C1 675051795 FXCSJBDQSBGTEV-GFCCVEGCSA-N 301.339 2.087 70 50 DEIA CC1(C)OC(=O)C[C@H]1C(=O)NCCc1c[nH]c2ccc(F)cc12 218600010 OUIZKIGBJBJYCU-ZDUSSCGKSA-N 318.348 2.307 70 50 DEIA CN1CCN(C(=O)c2ncc(F)cc2F)C[C@H]1c1ccccc1 217537889 JMIOWQLPWFZQBS-HNNXBMFYSA-N 317.339 2.489 70 50 DEIA CCSCC(=O)N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1 218693482 VPDGKMWMXPQVLU-KVULBXGLSA-N 321.442 2.303 70 50 DEIA Cc1cc(C)nc(NCC(=O)NCCn2ccc3ccccc32)n1 218411782 KGEHNRABWVUKSA-UHFFFAOYSA-N 323.400 2.276 70 50 DEIA C[C@@H](CO)NC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1 218330787 CUTRYCIMAVPGLK-ZETCQYMHSA-N 314.172 2.494 70 50 DEIA Cc1nc(CNC(=O)[C@@H]2Cc3ccccc3O2)nc2c1CCCC2 218510078 MKMYOBXPOHNNQG-KRWDZBQOSA-N 323.396 2.284 70 50 DEIA Cn1cc([C@@H](NC(=O)C2CCCCCC2)C2CC(O)C2)cn1 218580463 UUJCZTISBDHQRH-BCLQGDPASA-N 305.422 2.319 70 50 DEIA Cc1cc(C(=O)N2CCOc3ccc(CO)cc3C2)c(C)o1 217340572 QJVLELJHJFOYGS-UHFFFAOYSA-N 301.342 2.424 70 50 DEIA O=C(NS(=O)(=O)C1CCCCC1)[C@H]1OCCc2ccccc21 160642416 MIENMZGWRLBNGU-HNNXBMFYSA-N 323.414 2.079 70 50 DEIA CN1C[C@]2(CCCN(C(=O)c3ccc(Cl)s3)C2)OC1=O 217534752 LPMGWVXSCRVWIG-ZDUSSCGKSA-N 314.794 2.458 70 50 DEIA COc1ccc2[nH]c(C(=O)NCc3cnn4cccnc34)cc2c1 217204106 BPIFYYWGAVPFGJ-UHFFFAOYSA-N 321.340 2.149 70 50 DEIA Cc1occc1CN(CCS(=O)(=O)F)Cc1ccns1 1875382473 CKGOXGBLYOXAFL-UHFFFAOYSA-N 318.395 2.346 70 50 DEIA CSc1nc(C(=O)N(C)[C@H](C)Cc2cnccn2)cs1 218508975 WHTHXZSYFKFAOJ-SECBINFHSA-N 308.432 2.358 70 50 DEIA NC[C@H]1CCCN1C(=O)Cc1ccc(F)c(Br)c1 160307979 SMEAGNFSWDLVCP-SNVBAGLBSA-N 315.186 2.080 70 50 DEIA COC(=O)[C@H](C)NC(=O)CCn1ccc2c(Cl)cccc21 218397426 JZWLJXURNSDTJW-JTQLQIEISA-N 308.765 2.363 70 50 DEIA Cc1cc(C(=O)N[C@@H](c2ccccc2)c2nccn2C)nc(C)n1 217971105 ROSHLGAMOMLCHQ-INIZCTEOSA-N 321.384 2.346 70 50 DEIA CS[C@@H](C)CC(=O)NC1CCN(Cc2ccccn2)CC1 160063405 ZYNLAKSDQKRHTM-ZDUSSCGKSA-N 307.463 2.304 70 50 DEIA COc1ccc(S(=O)(=O)F)cc1NC(=O)c1ccccn1 675063239 OQVLQRWFQQGACY-UHFFFAOYSA-N 310.306 2.001 70 50 DEIA COc1ccc(C2(C(=O)NCc3cnc4cnccn34)CC2)cc1 218258620 YHXUNKKJPSNNNH-UHFFFAOYSA-N 322.368 2.086 70 50 DEIA CC(=O)N1CCC(c2ccc(OS(=O)(=O)F)cc2)CC1 1875374458 QZRPVCNEJYKLMD-UHFFFAOYSA-N 301.339 2.006 70 50 DEIA CC[C@H](NS(=O)(=O)c1c(C)noc1C)c1nccs1 159916366 QZLSJRIZMSPNRJ-VIFPVBQESA-N 301.393 2.178 70 50 DEIA CN(C)c1ccc(CC(=O)N2CC[C@](O)(c3ccccc3)C2)cc1 218089562 QQRDFSSSOWSJMI-HXUWFJFHSA-N 324.424 2.415 70 50 DEIA O=S(=O)(F)Oc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1 1875368526 YOMDFAIYXGMYTG-JTQLQIEISA-N 314.294 2.181 70 50 DEIA COC(=O)[C@@H](CCSC)NC(=O)Cn1ccc2ccccc21 216692653 DGGIFSQXNNTTHD-CYBMUJFWSA-N 320.414 2.052 70 50 DEIA COC(=O)C[C@@H](c1cccnc1)c1cc2c(cc1O)OCO2 218082869 QONUDTFBDKZLDE-NSHDSACASA-N 301.298 2.211 70 50 DEIA biogenic COCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12 217981361 IUYOZVJDDLSNPM-INIZCTEOSA-N 308.337 2.448 70 50 DEIA biogenic Cc1n[nH]c(C)c1CCN(C)C(=O)COc1ccc(F)cc1F 217973655 KFVPMGAROVJEGT-UHFFFAOYSA-N 323.343 2.385 70 50 DEIA O=C(NC1(c2ccccc2)CC1)c1nc(=O)[nH]c2ccccc12 217502619 SIDUVQUPFWJMCI-UHFFFAOYSA-N 305.337 2.342 70 50 DEIA CNC[C@@H]1CCCN1C(=O)Cc1ccccc1C(F)(F)F 161246844 ZQLJHRFABUBYAX-LBPRGKRZSA-N 300.324 2.458 70 50 DEIA O=C(COCC(F)(F)C(F)F)NC1Cc2ccccc2C1 217169969 MDVLWZDGIVQLHS-UHFFFAOYSA-N 305.271 2.187 70 50 DEIA CC[C@@H](NC(=O)CSc1ccccn1)c1ncnn1CC 218165294 HPNVAJVBLKMFSC-LLVKDONJSA-N 305.407 2.053 70 50 DEIA O=C(OC[C@H]1CC=CCC1)c1cncc(OS(=O)(=O)F)c1 1875385245 PGDHCEFKCKEDHO-JTQLQIEISA-N 315.322 2.188 70 50 DEIA CN(Cc1cc(=O)oc2cc(O)ccc12)C[C@@H]1CCC[C@@H]1O 159739365 KVAABUONNJGUFN-NHYWBVRUSA-N 303.358 2.091 70 50 DEIA CC[C@@H](NC(=O)CCc1cccnc1)c1cn2cccnc2n1 217514795 KVCIQZPHNNLZNY-CQSZACIVSA-N 309.373 2.324 70 50 DEIA Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccc(Cl)cc1Cl 218338895 VSZXINQCUFZWDV-SECBINFHSA-N 314.172 2.326 70 50 DEIA O=C(NCCCn1ccnn1)[C@@H]1CCCc2c1[nH]c1ccccc21 218473830 CHSJRCKESONCNH-OAHLLOKOSA-N 323.400 2.386 70 50 DEIA Cc1cc(CNC(=O)[C@H]2CCCN(Cc3ccco3)C2)no1 218250217 XJXQMJOJOVLHMU-ZDUSSCGKSA-N 303.362 2.104 70 50 DEIA O=C(CCN1CCCCC1)N1CC(Oc2ccccc2F)C1 217154017 NNUPYKFBHPKWHE-UHFFFAOYSA-N 306.381 2.291 70 50 DEIA Cc1cc(C(=O)N[C@@H]2COCC[C@H]2Oc2ccccn2)c(C)o1 218669099 NTQKWSBSRQCJOO-HUUCEWRRSA-N 316.357 2.258 70 50 DEIA O=C(OCc1ccccc1)N1CCC[C@H](CS(=O)(=O)F)C1 253388121 YZTMTUVCNFFNOF-ZDUSSCGKSA-N 315.366 2.335 70 50 DEIA CC1=CC[C@@H]2CN(C(=O)c3nc4ccccc4c(=O)[nH]3)C[C@@H]2C1 218298093 PJECPYCOAHUENC-OLZOCXBDSA-N 309.369 2.351 70 50 DEIA C[C@@](O)(CNc1cn[nH]c(=O)c1Cl)c1ccccc1Cl 160199080 JZAYWOXSAFMRSG-CYBMUJFWSA-N 314.172 2.396 70 50 DEIA O=C(O)c1cc(F)c(Br)c(S(=O)(=O)Cl)c1 100448623 ZHENKRVEZPNSSI-UHFFFAOYSA-N 317.519 2.214 70 50 DEIA in-vitro CSc1ncc(C(=O)N(Cc2cccnc2)C2CC2)cn1 218184842 GCSJANPKOPHXAW-UHFFFAOYSA-N 300.387 2.398 70 50 DEIA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)CCc1nc3ccccc3[nH]1)C2 217454156 HYEOENCYURFDDY-MCBXIFIFSA-N 313.401 2.379 70 50 DEIA C[C@H](NC(=O)Nc1ccnn1C[C@H]1CCOC1)c1cccnc1 159726152 QMXDKKGLWRQLRL-QWHCGFSZSA-N 315.377 2.197 70 50 DEIA O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)[C@@H]1CCCCN1 160683091 QIMSYOLMLMQCGX-NWDGAFQWSA-N 317.216 2.285 70 50 DEIA N[C@@H]1CCN(C(=O)CCOc2cc(Cl)cc(Cl)c2)C1 160258922 BTTLQJCDLUWYHI-LLVKDONJSA-N 303.189 2.322 70 50 DEIA CSCC[C@@H](O)C(=O)NCCc1c(C)[nH]c2ccccc12 217205354 ZVWDJJDOYORMBH-OAHLLOKOSA-N 306.431 2.249 70 50 DEIA Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)c1cccs1 159902775 LVUGTBZENLNCCG-MRVPVSSYSA-N 300.405 2.262 70 50 DEIA CCN(CCN1CCCC1)Cc1cnc(N2CCCCC2)nc1 218612661 GJQAQVHLPBUQQW-UHFFFAOYSA-N 317.481 2.385 70 50 DEIA CCn1cc(CN(C)C(=O)c2c(C)[nH]c3c2C(=O)CCC3)cn1 218450090 CPQSVVPIPXPWIK-UHFFFAOYSA-N 314.389 2.331 70 50 DEIA COCCCNC(=O)c1c2c(nc3c1cnn3C(C)C)CCC2 218515150 DBGUXPJOFRUCBG-UHFFFAOYSA-N 316.405 2.267 70 50 DEIA O=C(NCc1ccccc1)c1ccccc1OS(=O)(=O)F 1875389899 KVLYVNWNPIJACK-UHFFFAOYSA-N 309.318 2.210 70 50 DEIA Cc1ccc2[nH]c([C@H](C)NC(=O)c3cc(CO)ccn3)nc2c1 217477074 OZQZFKFUUBFLGF-NSHDSACASA-N 310.357 2.250 70 50 DEIA Cc1cccc(-n2cc(CN3C[C@H]4[C@H](CN(C)C)[C@H]4C3)cn2)c1 217867138 OMXISAPJUISICC-LDLYASANSA-N 310.445 2.420 70 50 DEIA COC1(OC)CC2(CN(S(=O)(=O)F)[C@@H]2c2ccccc2)C1 1875373411 AELXRBBQAVQVSX-GFCCVEGCSA-N 315.366 2.027 70 50 DEIA Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CC[C@@H](c2cnn(C)c2)C1 160326959 BTUNKVBQBDSGHK-SMDDNHRTSA-N 315.421 2.270 70 50 DEIA O=C1c2ccccc2C(=O)[C@H]2C=C(S(=O)(=O)Cl)C=C[C@@H]12 390834901 OZOQAOHRHZKIAY-NEPJUHHUSA-N 308.742 2.320 70 50 DEIA Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2ccc3ncccc3c2)o1 217656858 UDAADNWARLZOAB-CYBMUJFWSA-N 324.336 2.209 70 50 DEIA biogenic CC(C)CCCC(=O)Nc1cncc(OS(=O)(=O)F)c1 1875387645 QVVVEQFJKOVXBZ-UHFFFAOYSA-N 304.343 2.440 70 50 DEIA Cc1nc(NCCNc2ccncc2C)cc(C2CC(O)C2)n1 218258683 DGBSOVSPFFKXAW-UHFFFAOYSA-N 313.405 2.251 70 50 DEIA O[C@H]1C[C@@H]([C@H](NC2CSCCSC2)c2ccccn2)C1 218095075 KOOTWHCJWSHFQG-WHOFXGATSA-N 310.488 2.332 70 50 DEIA CN(Cc1ccc(OS(=O)(=O)F)cc1)Cc1ccccn1 1875381647 CAXHMDKMSIXYRT-UHFFFAOYSA-N 310.350 2.307 70 50 DEIA O=C(O)c1cc(C(F)(F)F)c(F)c(S(=O)(=O)Cl)c1 100517828 VXCPKTJFBFWXQQ-UHFFFAOYSA-N 306.620 2.470 70 50 DEIA C[C@@H](NC(=O)c1cccc(=O)[nH]1)c1cnn(-c2ccccc2)c1 216977220 DWYLRSBTPUVZEA-GFCCVEGCSA-N 308.341 2.052 70 50 DEIA CN1CCN(C)[C@@H](CC(=O)NCc2ccc3sccc3c2)C1 217146230 CBFPYLVUPNFGOP-HNNXBMFYSA-N 317.458 2.153 70 50 DEIA C[C@H]1CCC[C@@H](C)N1CC(=O)NCc1cn2ccccc2n1 217169097 REKLYCCBYAFXSD-OKILXGFUSA-N 300.406 2.213 70 50 DEIA CN(C)[C@H](C(=O)N1CCC(C)(CO)CC1)c1ccccc1F 217199502 AUBBJZCJMWEIHV-HNNXBMFYSA-N 308.397 2.049 70 50 DEIA Cc1nnc(CCNC(=O)[C@@H]2CCc3ccccc3C2)s1 218431169 HAZIZCQPWREXJX-CQSZACIVSA-N 301.415 2.310 70 50 DEIA O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1cc(F)ccc1F 217032747 OCUFYFQOKCUARC-GFCCVEGCSA-N 311.328 2.423 70 50 DEIA Cc1scc(C(=O)NCc2n[nH]c(=O)[nH]2)c1-c1ccccc1 217014105 XKBKUZNMBOCOKF-UHFFFAOYSA-N 314.370 2.065 70 50 DEIA CN1C[C@@]2(CCCN(C(=O)c3ccc(Cl)s3)C2)OC1=O 217534663 LPMGWVXSCRVWIG-CYBMUJFWSA-N 314.794 2.458 70 50 DEIA Cc1cc(C)c(S(=O)(=O)Cl)c(C)c1S(=O)(=O)Cl 100022417 LNXKRGBQKLXFTB-UHFFFAOYSA-N 317.215 2.467 70 50 DEIA in-vitro COc1ccc(CNC(=O)CN[C@@H]2CC(C)(C)OC2(C)C)cc1 161008187 OGGXBHGYXQWXOQ-OAHLLOKOSA-N 320.433 2.247 70 50 DEIA COc1ccccc1C1CCN(C(=O)Cc2nonc2C)CC1 218288253 ZZAVTAVRZSPZSQ-UHFFFAOYSA-N 315.373 2.335 70 50 DEIA CCc1n[nH]c(NC(=O)[C@@H]2CC[C@H](C)O2)c1Br 159850328 ACHRJYUDFJQEKC-XPUUQOCRSA-N 302.172 2.241 70 50 DEIA CCc1nccn1CC(=O)N(C)Cc1cc(-c2ccccc2)n[nH]1 218281782 WTXKQHJHJUVTKB-UHFFFAOYSA-N 323.400 2.494 70 50 DEIA O=C(CN1Cc2ccccc2C1)N1CCC[C@@H](c2cc[nH]n2)C1 217562001 HNCOHMSTAWNDFK-MRXNPFEDSA-N 310.401 2.132 70 50 DEIA O=C1c2ccccc2C(=O)[C@H]2C=C(S(=O)(=O)Cl)C=C[C@H]12 390834903 OZOQAOHRHZKIAY-RYUDHWBXSA-N 308.742 2.320 70 50 DEIA CSCc1ccc(C(=O)NCCc2nc(C3CC3)no2)o1 217188006 PHNSFYOTTFPEFO-UHFFFAOYSA-N 307.375 2.376 70 50 DEIA Cc1n[nH]c(SCCNC(=O)c2ccc(C)c(F)c2F)n1 218173730 KLFQAMJGRIRYCO-UHFFFAOYSA-N 312.345 2.222 70 50 DEIA COc1ccccc1N1CCC(N[C@@H]2C[C@@H]3OCC[C@@H]32)CC1 217210535 QLCQHCKWHAAWRN-RKVPGOIHSA-N 302.418 2.431 70 50 DEIA O=C(O)c1cc(Br)cc(S(=O)(=O)Cl)c1F 100517785 QGJIUWUCSFPGTB-UHFFFAOYSA-N 317.519 2.214 70 50 DEIA C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1C(=O)C1CCNCC1 159548002 YMLLMHRTXQQSQA-KEYYUXOJSA-N 302.418 2.363 70 50 DEIA Cc1ccc([C@@H](C(=O)N(C)CCc2cnn(C)c2)N(C)C)cc1 217178895 SUPICLFQEYUECC-KRWDZBQOSA-N 314.433 2.032 70 50 DEIA CC(C)CCOc1cccc(CN2CCN(C)[C@@H](CO)C2)c1 216911021 LQXHDDYXNJEJIM-QGZVFWFLSA-N 306.450 2.220 70 50 DEIA Cc1cc([C@H](C)NC(=O)CNC[C@H]2CCCO2)cc(C)c1F 161298782 LPMGGCSOSGFHJJ-DZGCQCFKSA-N 308.397 2.388 70 50 DEIA Cc1c(C#N)c(N)n(-c2ccc(OS(=O)(=O)F)cc2)c1C 1875389949 UHFCVPRTGHSERU-UHFFFAOYSA-N 309.322 2.141 70 50 DEIA CCn1nccc1CN(CCS(=O)(=O)F)[C@H](C)C(C)C 1875382913 XBXQWIMJQBENFC-GFCCVEGCSA-N 305.419 2.049 70 50 DEIA Cc1n[nH]c([C@@H]2CCCN(C(=O)Cn3ccc4ccccc43)C2)n1 218604045 PIUFQAGOMGZJQL-OAHLLOKOSA-N 323.400 2.474 70 50 DEIA Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2ccnc3ccccc23)o1 217872914 GEFHRCGXCVVYQP-ZDUSSCGKSA-N 324.336 2.209 70 50 DEIA biogenic C[C@H]1CC[C@H](C(=O)Nc2cncc(OS(=O)(=O)F)c2)CC1 1875388254 SSYVAHSEZKQBIE-MGCOHNPYSA-N 316.354 2.440 70 50 DEIA CCC1(CN(CCS(=O)(=O)F)Cc2cnn(C)c2)CCC1 1875382855 UJCTWVZYIASIKD-UHFFFAOYSA-N 317.430 2.102 70 50 DEIA Cc1cc(C(F)(F)F)nc(CCNC(=O)Cc2cccnc2)n1 218371411 OMIDEGYJVYUMLX-UHFFFAOYSA-N 324.306 2.100 70 50 DEIA O=S(=O)(Cl)c1cnn(-c2ccc(C(F)(F)F)cn2)c1 100013984 ZACLAYCACGRQPN-UHFFFAOYSA-N 311.672 2.214 70 50 DEIA in-vitro O=C(O)c1cc(Br)c(F)c(S(=O)(=O)Cl)c1 100517843 POHGXELFKXTYQB-UHFFFAOYSA-N 317.519 2.214 70 50 DEIA Fc1cnccc1N[C@@H]1CCOC[C@H]1OCc1cscn1 218068397 RZUQCKVYWZQTBJ-ZIAGYGMSSA-N 309.366 2.463 70 50 DEIA CN1C[C@]2(CCN(C(=O)c3csc4c3CCCC4)C2)OC1=O 217211325 DDCYPCVBKXIQIS-INIZCTEOSA-N 320.414 2.294 70 50 DEIA CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CCCCc1ccccc1)C2 217761343 JEVJXPWAUJCLPK-SJORKVTESA-N 314.429 2.479 70 50 DEIA CN(Cc1cc(C2CC2)on1)C(=O)COCC(F)(F)C(F)F 218104934 LGCNGZFJQNBPTA-UHFFFAOYSA-N 324.274 2.427 70 50 DEIA CCOC(=O)C1(C(=O)Nc2ccc3c(c2)N(C)CCO3)CCC1 159946274 GEJOXADKNMHGCB-UHFFFAOYSA-N 318.373 2.187 70 50 DEIA CCOC(=O)CN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 161008579 HCOFHNUNGRRELS-CHWSQXEVSA-N 317.307 2.376 70 50 DEIA Cc1cc(C[C@H](C)NC(=O)Nc2ccc([S@](C)=O)cc2)n[nH]1 161127017 UUJRIHOCDCRHGX-MLMJSJRWSA-N 320.418 2.208 70 50 DEIA O=[N+]([O-])c1c(Br)cccc1S(=O)(=O)Cl 169809017 JDTXKHVLNFSTOC-UHFFFAOYSA-N 300.517 2.285 70 50 DEIA C[C@H](NC(=O)Nc1ccnn1C[C@@H]1CCOC1)c1cccnc1 159725859 QMXDKKGLWRQLRL-STQMWFEESA-N 315.377 2.197 70 50 DEIA Cc1c(C(=O)N2CCC[C@@H]2CN)cnn1-c1cccc(Cl)c1 160251642 XNJVMDKAYPNTSB-CQSZACIVSA-N 318.808 2.397 70 50 DEIA CN(Cc1cnccn1)C(=O)[C@H]1Cc2cc(Cl)ccc2N1 216921144 IPJQLDMZYXJKGQ-CQSZACIVSA-N 302.765 2.125 70 50 DEIA O=C(NCCc1c[nH]cn1)c1cnc2ccc(Cl)cc2c1O 218161655 JYLGYYYIYUZHKL-UHFFFAOYSA-N 316.748 2.289 70 50 DEIA O=C(c1nnc2n1CCCCC2)N1CCC[C@@H]1c1nccs1 217192275 JPGZSZLQRKTFDD-LLVKDONJSA-N 317.418 2.438 70 50 DEIA O=S(=O)(Oc1cccnc1Br)C(F)(F)F 97949373 DWJIUNKBHIJMPC-UHFFFAOYSA-N 306.059 2.073 70 50 DEIA C[C@H]1CN(C(=O)CCc2cccc(Br)c2)CCN1 217268518 YJWKVYMOMRUJIS-NSHDSACASA-N 311.223 2.202 70 50 DEIA Cc1occc1CN(CCS(=O)(=O)F)C[C@H]1CCSC1 1875382487 CXCSDOJWBKMXAD-GFCCVEGCSA-N 321.439 2.442 70 50 DEIA CCc1nccn1CC(=O)N1CCCC[C@H]1CCn1cccn1 218143470 RGJLWHYUHDLSPQ-HNNXBMFYSA-N 315.421 2.113 70 50 DEIA Cc1cc(C)n(CCC(=O)NC[C@@H]2CCCN3CCCC[C@H]23)n1 217831448 HSTGXFJSNGQSBN-DLBZAZTESA-N 318.465 2.271 70 50 DEIA biogenic Cc1cc(CC(=O)N[C@@H](c2ccccc2)c2nccn2C)on1 218237491 GECOOEUFGHTAFE-INIZCTEOSA-N 310.357 2.165 70 50 DEIA COc1cn(CC(=O)NC2CCCCCCC2)c(C)cc1=O 218261334 ISWUZWXXPWCYSO-UHFFFAOYSA-N 306.406 2.394 70 50 DEIA O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)C1CCCC1 218222472 ZETVKVZXQNYYLX-ZIAGYGMSSA-N 310.419 2.124 70 50 DEIA O=[N+]([O-])c1cc(S(=O)(=O)Cl)ccc1Br 100593725 OHJQQLFBGSDTEY-UHFFFAOYSA-N 300.517 2.285 70 50 DEIA in-vitro C[C@@H](N(C)C(=O)c1cncc(OS(=O)(=O)F)c1)C(C)(C)C 1875385400 SILOHHVTEIWGMU-SECBINFHSA-N 318.370 2.181 70 50 DEIA CC(C)(C)OC(=O)N1CCC(C#N)(CCS(=O)(=O)F)CC1 1775954826 MUNADGUAAFKQQM-UHFFFAOYSA-N 320.386 2.217 70 50 DEIA COC(=O)C[C@H](c1ccc(OC)cc1)c1c(O)cc(C)oc1=O 217944064 OQKZPAXQLIAKFN-CYBMUJFWSA-N 318.325 2.357 70 50 DEIA biogenic C(#C[SiH](c1ccccc1)c1ccccc1)CN1CCCCC1 216633772 QXSIANPJQNKFSJ-UHFFFAOYSA-N 305.497 2.056 70 50 DEIA O=C(NC[C@H](O)c1c(Cl)cccc1Cl)[C@H]1CCCCN1 160680382 QIMSYOLMLMQCGX-NEPJUHHUSA-N 317.216 2.285 70 50 DEIA Cc1ccc2[nH]c([C@@H](C)NC(=O)c3cc(CO)ccn3)nc2c1 217476961 OZQZFKFUUBFLGF-LLVKDONJSA-N 310.357 2.250 70 50 DEIA O=C(NC[C@H]1CCCN(c2ccccn2)C1)C(=O)c1ccccc1 218579014 SWFNIZPZDGRMDB-OAHLLOKOSA-N 323.396 2.297 70 50 DEIA Cc1cc(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)ccn1 1875384186 DGEBGCXNUOSQGP-UHFFFAOYSA-N 310.306 2.235 70 50 DEIA C[C@@H](CC#N)N(CCS(=O)(=O)F)Cc1c(F)cccc1F 1875382948 YSYRHTSXIBMWJM-JTQLQIEISA-N 320.336 2.368 70 50 DEIA O=S(=O)(F)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 1875373707 LKBWSPZMTYMUQH-JTQLQIEISA-N 313.272 2.293 70 50 DEIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)c1ccc(F)cn1 1875385613 XMHCBXPKGMQSCH-UHFFFAOYSA-N 314.269 2.066 70 50 DEIA O=C(N[C@H](c1cnc2ccccc2c1)C1CC(O)C1)c1cc[nH]n1 218026127 LOIJXUGDLUHYHC-AJUCZRQESA-N 322.368 2.200 70 50 DEIA O=C(Cc1ccc(F)c(F)c1)NC[C@]1(O)CCc2ccccc21 159428295 QJHOHUJEKFOFAT-GOSISDBHSA-N 317.335 2.458 70 50 DEIA CC[C@@H](O)c1cc2n(n1)CCCN(Cc1cccnc1NC)C2 217146987 NBELZKBRXBTANW-MRXNPFEDSA-N 315.421 2.169 70 50 DEIA O=C(N[C@H]1C=CCCC1)N1CCN(Cc2ccccn2)CC1 160703040 IMBIEJGTYFDATQ-HNNXBMFYSA-N 300.406 2.018 70 50 DEIA CC1(C)OC(=O)C[C@@H]1C(=O)NCCn1ccc2ccccc21 218561732 KXCOLIBFPIDAHQ-CYBMUJFWSA-N 300.358 2.099 70 50 DEIA O=C(Cc1c[nH]cn1)NC[C@@H](c1ccccc1)N1CCCCC1 217590506 ONWDORNKMMTQGE-KRWDZBQOSA-N 312.417 2.296 70 50 DEIA O=C(N[C@H](c1cnc2ccccc2c1)C1CC(O)C1)c1ccon1 218501220 TTYOHCRTKJKDHX-AJUCZRQESA-N 323.352 2.465 70 50 DEIA COC(=O)C[C@H](c1ccc(O)cc1)c1c(O)cc(C)oc1=O 218108008 CDYAPEISKFWCSO-GFCCVEGCSA-N 304.298 2.054 70 50 DEIA biogenic CC(C)N(CCS(C)(=O)=O)C(=O)Nc1ccccc1F 159824287 NKLLNIHHNPDBEN-UHFFFAOYSA-N 302.371 2.113 70 50 DEIA O=C1c2ccccc2N2C(=O)c3ccccc3[C@H]2N1CCCO 217971244 UIAYVPVWXXVEGZ-INIZCTEOSA-N 308.337 2.184 70 50 DEIA biogenic O=C(OC[C@@H]1CC=CCC1)c1cncc(OS(=O)(=O)F)c1 1875385246 PGDHCEFKCKEDHO-SNVBAGLBSA-N 315.322 2.188 70 50 DEIA C[C@H](N(C)C(=O)c1cncc(OS(=O)(=O)F)c1)C(C)(C)C 1875385401 SILOHHVTEIWGMU-VIFPVBQESA-N 318.370 2.181 70 50 DEIA CCO[C@@H]1COCC[C@H]1NC(=O)c1cc2ccccc2cn1 218762578 CXJIZTRMTDOKOP-GDBMZVCRSA-N 300.358 2.159 70 50 DEIA CCc1ccc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)[nH]1 218489691 KKVMWRWOJGHLDH-UHFFFAOYSA-N 317.433 2.442 70 50 DEIA CCN(C(=O)c1ccc(Oc2ccccc2)o1)[C@H]1COC[C@@H]1O 218457249 KMJZGVDVBCCORP-KBPBESRZSA-N 317.341 2.294 70 50 DEIA O=C(N[C@@H]1CCc2ccccc2C1)c1nc2ccccc2[nH]c1=O 218773207 AMYCTLZSHUEFQK-CQSZACIVSA-N 319.364 2.210 70 50 DEIA O=C(N[C@@H]1CCOC[C@H]1OCc1ccccn1)c1ccsc1 218670128 RPROIRBRSWWXTO-HUUCEWRRSA-N 318.398 2.247 70 50 DEIA CCCOc1ccc(CN2CCN(C)[C@@H](CO)C2)cc1Cl 217354338 APHBDWDFMANNRZ-CQSZACIVSA-N 312.841 2.237 70 50 DEIA O=[N+]([O-])c1cc(S(=O)(=O)F)c(Br)cc1F 238851016 DSSYHORSQMYBIE-UHFFFAOYSA-N 302.052 2.155 70 50 DEIA O=S(=O)(F)Oc1cccc(-c2noc([C@H]3CCCO3)n2)c1 1875368349 KKTQKUGMQKKTMY-SNVBAGLBSA-N 314.294 2.181 70 50 DEIA O=C(CC1(n2cccc2)CCOCC1)NCCc1ccco1 218245733 ISFJVOZZBZPZFA-UHFFFAOYSA-N 302.374 2.336 70 50 DEIA Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@H]3CN)cc2F)n1 160391345 PGTIFNKHUPINLN-AWEZNQCLSA-N 316.380 2.192 70 50 DEIA Cc1nc(N)ncc1C(=O)NCCc1c(C)[nH]c2ccccc12 217140497 XSLZRGNPNPPWGA-UHFFFAOYSA-N 309.373 2.129 70 50 DEIA CC(C)(C)OC(=O)NCc1ccc(OS(=O)(=O)F)cc1 1875374455 QYBOVKILPDPHEP-UHFFFAOYSA-N 305.327 2.304 70 50 DEIA COC(=O)[C@@H](C)NC(=O)c1cc(-c2cccc(Cl)c2)nn1C 218392736 FHLHLPMJCBSLML-SECBINFHSA-N 321.764 2.032 70 50 DEIA O=S(=O)(F)c1c(Cl)nc2ccc(Br)cn12 675063151 KDDDPIIDGRZVJJ-UHFFFAOYSA-N 313.535 2.408 70 50 DEIA O=S(=O)(F)CCN(Cc1cccnc1)C[C@H]1CCCS1 1875382737 OKHBTFYPYNOYSD-CYBMUJFWSA-N 318.439 2.079 70 50 DEIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)N1CC(C2CC2)C1 1875382614 JAQXBPLOVPFZPG-UHFFFAOYSA-N 314.338 2.153 70 50 DEIA CSc1ncccc1C(=O)N1CCC[C@H]1c1nc(C)n[nH]1 217715229 ABVRDPLQPXOKKI-NSHDSACASA-N 303.391 2.207 70 50 DEIA C[C@@H](NC(=O)c1cncc(OS(=O)(=O)F)c1)c1ccccc1 1875384612 HDPGIWXGNQWHLJ-SNVBAGLBSA-N 324.333 2.166 70 50 DEIA CCCN(C[C@H]1CCCO1)C(=O)c1cc(C(C)(C)C)nc(=O)[nH]1 217062635 MPSFIKZJWLPJIZ-GFCCVEGCSA-N 321.421 2.099 70 50 DEIA CSc1nc(C(=O)N(C)[C@@H](C)Cc2cnccn2)cs1 218508908 WHTHXZSYFKFAOJ-VIFPVBQESA-N 308.432 2.358 70 50 DEIA Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CC[C@H](c2cnn(C)c2)C1 160326824 BTUNKVBQBDSGHK-RISCZKNCSA-N 315.421 2.270 70 50 DEIA O=S(=O)(F)c1cccc(CNc2ccc3c(c2)C[C@@H](O)C3)c1 1875369681 AXUKSHKAVFCTGZ-HNNXBMFYSA-N 321.373 2.416 70 50 DEIA O=C(O)c1cc(S(=O)(=O)Cl)cc(Br)c1F 100517839 WYNZNIDXBOFKDX-UHFFFAOYSA-N 317.519 2.214 70 50 DEIA CC1=CC[C@@H]2CN(C(=O)CSc3nnc(N)s3)C[C@@H]2C1 218651324 ZDWZZLXJVXOMFO-ZJUUUORDSA-N 310.448 2.027 70 50 DEIA CCS(=O)(=O)c1cccc(CC(=O)Nc2ccncc2F)c1 161459278 KNJTWQGKSUELKD-UHFFFAOYSA-N 322.361 2.196 70 50 DEIA CNC[C@H]1CCCN1C(=O)c1csc(-c2ccccn2)n1 161209525 CDRNPFPGHKPOQF-LLVKDONJSA-N 302.403 2.029 70 50 DEIA Cc1n[nH]c(C)c1CCNC(=O)Cc1ccc(O)c(Cl)c1 217066767 QQNZCCYXLALMRK-UHFFFAOYSA-N 307.781 2.287 70 50 DEIA Nc1ccc2nc(-c3ccc(OS(=O)(=O)F)cc3)cnc2c1 1875390058 PMHLATKQXRBZGL-UHFFFAOYSA-N 319.317 2.472 70 50 DEIA Cc1nccn1CCC(=O)N1CCN(C)[C@H](c2ccccc2)C1 217064518 MLZXQMASVDZTJK-KRWDZBQOSA-N 312.417 2.097 70 50 DEIA Cc1cn(C)nc1N(CCS(=O)(=O)F)Cc1cccs1 1875382719 NKOCCUMKNNSHTB-UHFFFAOYSA-N 317.411 2.096 70 50 DEIA COc1ccc([C@H]2C[C@@H](C)N(C(=O)C3CCNCC3)C2)cc1 161310757 LZDZGKWDZKYMNO-CJNGLKHVSA-N 302.418 2.399 70 50 DEIA Cc1csc(CCCNC(=O)c2ccn(C(F)F)n2)n1 218238456 JSASUDZNUSOKRI-UHFFFAOYSA-N 300.334 2.406 70 50 DEIA CCN(CC)Cc1cc(C(=O)N(C)Cc2cnccn2)c(C)o1 217811139 OLVIGBOERRNPAV-UHFFFAOYSA-N 316.405 2.492 70 50 DEIA CC(C)CCNc1nc(C(=O)NCCc2c[nH]cn2)cs1 218145221 XJEZFFAHSVEXJS-UHFFFAOYSA-N 307.423 2.297 70 50 DEIA CSc1ncccc1C(=O)N1CCC[C@@H]1c1nc(C)n[nH]1 217715147 ABVRDPLQPXOKKI-LLVKDONJSA-N 303.391 2.207 70 50 DEIA Cc1cc(CC(=O)N[C@H](c2ccccc2)c2nccn2C)on1 218237404 GECOOEUFGHTAFE-MRXNPFEDSA-N 310.357 2.165 70 50 DEIA CC(=O)c1[nH]c(C)c(C(=O)NCCSc2nccn2C)c1C 217806788 PWSPELRBGUODAZ-UHFFFAOYSA-N 320.418 2.090 70 50 DEIA CN(C)c1cccc(C(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3N(C)C)c1 217135606 NXFDTYGMWHWHBV-QLPKVWCKSA-N 301.434 2.165 70 50 DEIA CCCn1cnnc1[C@H](C)NC(=O)Cc1ccc(O)c(Cl)c1 218537598 DQKMOAPCZPCWLA-JTQLQIEISA-N 322.796 2.467 70 50 DEIA COC(=O)c1cc(CC2CC2)c(OS(=O)(=O)F)c(OC)c1 1875374726 ZHBRKLCAGLRPHM-UHFFFAOYSA-N 318.322 2.027 70 50 DEIA Cc1cc(N)n(CC(=O)N2CC[C@H](c3ccccc3Cl)C2)n1 217700141 MGYVHGLBEBLZBD-LBPRGKRZSA-N 318.808 2.443 70 50 DEIA Cc1c[nH]c(C(=O)N(C)CCc2nc3cc(F)ccc3[nH]2)n1 217498373 VCUIHLQITNVJQJ-UHFFFAOYSA-N 301.325 2.048 70 50 DEIA O=C(Cc1ccc(F)c(F)c1)NC[C@@]1(O)CCc2ccccc21 159428168 QJHOHUJEKFOFAT-SFHVURJKSA-N 317.335 2.458 70 50 DEIA CC(C)(C)OC(=O)N1CCOc2cc(S(=O)(=O)F)ccc21 675066926 REGVFOYISHWRAO-UHFFFAOYSA-N 317.338 2.479 70 50 DEIA CC1(C)CC[C@H]1C(=O)Nc1cncc(OS(=O)(=O)F)c1 1875388095 MTRVCDNMFKQFTE-JTQLQIEISA-N 302.327 2.049 70 50 DEIA C[C@H]1CCCC[C@@H]1N(CCS(=O)(=O)F)Cc1ccon1 1875382834 TYKDBKYTAGHWQM-AAEUAGOBSA-N 304.387 2.355 70 50 DEIA Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2ccc(O)c(Cl)c2)o1 218295138 YKZFMCGRQGQSLG-SECBINFHSA-N 323.732 2.020 70 50 DEIA Cc1nccn1CC[C@@H]1CCCCN1C(=O)C(=O)c1ccco1 217080119 JCMUDXTXHZWRJL-AWEZNQCLSA-N 315.373 2.439 70 50 DEIA Cc1cc2c(c(=O)o1)[C@H](c1ccc3c(c1)OCO3)CC(=O)O2 218127021 YQEQLRNLWUTTRS-JTQLQIEISA-N 300.266 2.118 70 50 DEIA biogenic Cn1cc(NC(=O)Nc2ccnn2Cc2ccccc2F)cn1 160561820 ACQVXRZQQOOYBU-UHFFFAOYSA-N 314.324 2.448 70 50 DEIA O=C(c1cnc(-c2cccs2)nc1)N1CCc2n[nH]cc2C1 218749986 PXTXVJBNYLGAED-UHFFFAOYSA-N 311.370 2.127 70 50 DEIA Cc1cc(C(=O)NCc2n[nH]c(=O)[nH]2)sc1-c1ccccc1 216908775 ULSIFVRRKUTAGU-UHFFFAOYSA-N 314.370 2.065 70 50 DEIA CC(C)c1nnc([C@@H](C)NC(=O)CCN2CCCCCC2=O)o1 217171145 PTFIZZJJQWOEDU-GFCCVEGCSA-N 322.409 2.163 70 50 DEIA COc1cccc(C2(CNC(=O)[C@@H]3CSCN3)CCCC2)c1 159476168 OSHZPOUHMPUJAS-HNNXBMFYSA-N 320.458 2.286 70 50 DEIA O=C(NC1(c2ccc(F)cc2F)CCOCC1)c1cn[nH]c1 161165317 VLJBQMDQOLGCTL-UHFFFAOYSA-N 307.300 2.124 70 50 DEIA Cc1cnc(CNc2cc(C3CC(N)C3)nc(C3CC3)n2)cn1 218771759 SLRDPZROBJXCPB-UHFFFAOYSA-N 310.405 2.269 70 50 DEIA CN(Cc1n[nH]c2c1CCC2)C(=O)[C@@H](O)c1ccccc1Cl 218160774 LYHMKMHYGSMGRT-HNNXBMFYSA-N 319.792 2.244 70 50 DEIA C[C@@H](C(=O)N(C)C1CCCCC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 161148467 LQJOPMURLFYGQT-AEGPPILISA-N 320.433 2.341 70 50 DEIA O=S(=O)(Cl)N(c1cccc(Cl)c1)S(=O)(=O)Cl 97950838 SUNHLFIDXGEQTP-UHFFFAOYSA-N 324.594 2.114 70 50 DEIA CCn1ccc2cc(CN3Cc4cnn(CCO)c4C3)ccc21 216935218 UDDUFZQGJJBNRK-UHFFFAOYSA-N 310.401 2.366 70 50 DEIA COC1(OC)CC2(CN(S(=O)(=O)F)[C@H]2c2ccccc2)C1 1875373412 AELXRBBQAVQVSX-LBPRGKRZSA-N 315.366 2.027 70 50 DEIA CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc2c(c1)CCCC2 218515222 AHPHCAVTQLAODG-IAGOWNOFSA-N 303.402 2.489 70 50 DEIA COC(=O)C[C@H](c1cccnc1)c1cc2c(cc1O)OCO2 218082795 QONUDTFBDKZLDE-LLVKDONJSA-N 301.298 2.211 70 50 DEIA biogenic COc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@@H]3CSCN3)C2)cc1 161309490 OOYZJFIWMDNLNQ-KYOSRNDESA-N 306.431 2.062 70 50 DEIA Cc1cc(C)n(CCCC(=O)NCCc2scnc2C)n1 218319992 CPXHYFMLVVERQX-UHFFFAOYSA-N 306.435 2.404 70 50 DEIA CN(C(=O)C[C@@H]1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 160317951 QJCUERYXSZSJGH-STQMWFEESA-N 301.452 2.238 70 50 DEIA CCn1c(CNC(=O)[C@H](C)Cn2cccn2)nc2ccccc21 217207193 UGKLDYIGIVKGEA-CYBMUJFWSA-N 311.389 2.205 70 50 DEIA COCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12 217981289 IUYOZVJDDLSNPM-MRXNPFEDSA-N 308.337 2.448 70 50 DEIA biogenic CC(C)c1cc(C(=O)NCCN(C)C)n(-c2ccccc2)n1 218353600 AJEMLKFWJNBBLQ-UHFFFAOYSA-N 300.406 2.287 70 50 DEIA O=C(NCCc1nccc(-c2ccccc2)n1)c1cccnc1O 217152223 VEZQACXIEACZKK-UHFFFAOYSA-N 320.352 2.217 70 50 DEIA CN1CCN(Cc2nc(-c3c(F)cccc3F)cs2)CC1=O 159793927 NGIXNJNBBISLDL-UHFFFAOYSA-N 323.368 2.362 70 50 DEIA Cc1nn(C)c2ncc(NC(=O)NCc3ncccc3F)cc12 160099111 XQSVRGCPOURVTJ-UHFFFAOYSA-N 314.324 2.133 70 50 DEIA CC(=O)N1CC(Nc2cccc(-c3nc(C4CC4)n[nH]3)c2)=CC1=O 218567359 UTEAQUIMIQAVJQ-UHFFFAOYSA-N 323.356 2.034 70 50 DEIA CC(=O)c1ccc2c(c1O)[C@H](c1cnn3cccnc13)CC(=O)O2 218259208 JJBIKUGZXVPUMO-NSHDSACASA-N 323.308 2.079 70 50 DEIA COC(=O)c1ccc([C@@H]2CC(=O)Oc3cc(C)oc(=O)c32)cc1 218072000 BGXBFDAUOCBEMY-LBPRGKRZSA-N 314.293 2.176 70 50 DEIA biogenic CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)Sc2ccncc2)C1 159944132 XBOLZPQZKDJTII-QWHCGFSZSA-N 322.430 2.364 70 50 DEIA CCc1ccc(C(=O)N(C)Cc2nc(-c3ccncc3)no2)[nH]1 218453032 HLOUFLHVQJJXIN-UHFFFAOYSA-N 311.345 2.294 70 50 DEIA Nc1nc(NCCc2ccc(F)cc2)cc(C2CC(O)C2)n1 218115087 RRZADKCWQXCHNA-UHFFFAOYSA-N 302.353 2.091 70 50 DEIA COC(=O)c1cc(OS(=O)(=O)F)cc(C(F)(F)F)c1 1875389862 ALFNYVQQAJCAKI-UHFFFAOYSA-N 302.201 2.085 70 50 DEIA CCCOc1ccc(C(=O)NC[C@@H]2COCCO2)cc1Cl 217631284 QJPPNFCSJNVDHO-GFCCVEGCSA-N 313.781 2.274 70 50 DEIA CC(=O)N1CC(Nc2ccc(Cc3ccncc3)cc2)=CC1=O 218561061 WLGUISZCZBTMLH-UHFFFAOYSA-N 307.353 2.357 70 50 DEIA Cc1n[nH]c([C@H]2CCCN(C(=O)c3ccccc3N(C)C)C2)n1 216961169 UVYUSJCWBZBLFA-ZDUSSCGKSA-N 313.405 2.199 70 50 DEIA O=C(NCCc1c[nH]cn1)c1cnc2cc(Cl)ccc2c1O 218144915 DINGUJUIEKYSQB-UHFFFAOYSA-N 316.748 2.289 70 50 DEIA COC(=O)CC1CCN(C(=O)c2n[nH]c3c2CCCCC3)CC1 218164214 SBAXZFRFEZIDJD-UHFFFAOYSA-N 319.405 2.094 70 50 DEIA O=S(=O)(F)Oc1ccc(-c2nnc3n2CCCCC3)cc1 1875368347 KKFVKCCDWDMKPF-UHFFFAOYSA-N 311.338 2.265 70 50 DEIA C[C@@H](C(=O)NCc1cc(C(C)(C)C)n[nH]1)n1cc(Cl)cn1 218391457 LDIVVFRKRQEBBY-VIFPVBQESA-N 309.801 2.435 70 50 DEIA Cc1cccc(Cl)c1NC(=O)NC1CCS(=O)(=O)CC1 160752356 JMEJHJABLCYEAT-UHFFFAOYSA-N 316.810 2.347 70 50 DEIA O=C(N[C@H]1COc2ccccc2C1)c1scc2c1OCCO2 217692755 QVPYBHMUSMYJNE-LLVKDONJSA-N 317.366 2.253 70 50 DEIA NC[C@H]1CCCN1C(=O)CCOc1ccc(F)cc1Cl 160280459 JBZOFHYAGLCVFV-LLVKDONJSA-N 300.761 2.198 70 50 DEIA COc1cccc(SCC(=O)N2CC[C@@H](C(C)(C)O)C2)c1 218403898 VIQFSTKOYNGTQY-GFCCVEGCSA-N 309.431 2.407 70 50 DEIA CC(C)Cc1cc(C(=O)N[C@@H](C)Cc2cccnc2)nc(N)n1 217358435 VCQQKQCCJUYDLC-LBPRGKRZSA-N 313.405 2.013 70 50 DEIA CNC[C@H]1CCCN1C(=O)Cc1ccccc1C(F)(F)F 161246961 ZQLJHRFABUBYAX-GFCCVEGCSA-N 300.324 2.458 70 50 DEIA CC[C@@H](C)[C@@H](CO)NC(=O)c1n[nH]c2c1COc1ccccc1-2 218405688 CXCGTQHLAFOGCW-ZWNOBZJWSA-N 315.373 2.106 70 50 DEIA COC(=O)c1ccccc1NCCCCS(=O)(=O)Cl 100159670 OQRQZIZHFDUDGM-UHFFFAOYSA-N 305.783 2.234 70 50 DEIA Cn1ccnc1CN(C(=O)[C@@H](O)c1ccc(Cl)cc1)C1CC1 218394116 XBVULUCKODSYEV-HNNXBMFYSA-N 319.792 2.298 70 50 DEIA CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@H]1CSCN1 161057242 DEBNNHRYGNWJAZ-BIMULSAOSA-N 314.838 2.195 70 50 DEIA Cn1cc(CC(=O)N2CCC(n3cnnc3)CC2)c2ccccc21 217014498 DYRUHQOGGZPFJZ-UHFFFAOYSA-N 323.400 2.176 70 50 DEIA CC(C)(C)OC(=O)N1CCC([C@H](C#N)CS(=O)(=O)F)CC1 958647455 KTIPGQWXGQJXRA-LLVKDONJSA-N 320.386 2.073 70 50 DEIA Cc1nc(NC(=O)COc2c(C)nn(C)c2C)cc(C2CC2)n1 160096026 CRKCYDLQCYMGLJ-UHFFFAOYSA-N 315.377 2.030 70 50 DEIA O=[N+]([O-])c1cccc(Br)c1S(=O)(=O)Cl 169809014 FLHVEOZHKOGSBE-UHFFFAOYSA-N 300.517 2.285 70 50 DEIA O=C(O)c1cc(S(=O)(=O)Cl)c(F)cc1Br 100505600 SUOMCAJOHOJKOO-UHFFFAOYSA-N 317.519 2.214 70 50 DEIA O=C(CN1Cc2ccccc2C1)N1CCC[C@H](c2cc[nH]n2)C1 217562093 HNCOHMSTAWNDFK-INIZCTEOSA-N 310.401 2.132 70 50 DEIA CCc1n[nH]c(C(=O)N[C@@H]2COCC[C@@H]2OCC=C(C)C)c1C 218674916 UFSLSRYWPLUJGU-CABCVRRESA-N 321.421 2.151 70 50 DEIA C=CCN(CC)C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875382912 XBTIPNGNALCYPQ-UHFFFAOYSA-N 302.327 2.320 70 50 DEIA Cc1cc(=O)cc(C(=O)NCc2cc3cc(F)ccc3[nH]2)o1 217011814 RYCGEBQPKDMUKU-UHFFFAOYSA-N 300.289 2.499 70 50 DEIA CCCc1nnc(N2CCCn3nc([C@@H](C)O)cc3C2)s1 217637320 BIIUWYYFWXEGJW-SNVBAGLBSA-N 307.423 2.151 70 50 DEIA Cc1cc(C[C@@H](C)NC(=O)Nc2ccc([S@](C)=O)cc2)n[nH]1 161126903 UUJRIHOCDCRHGX-ZQJOYCHOSA-N 320.418 2.208 70 50 DEIA Cc1occc(=O)c1OCC(=O)N[C@H](C)CCc1ccccc1 218512105 MMZZTFFRDMAZTC-CYBMUJFWSA-N 315.369 2.465 70 50 DEIA CC[C@H](NS(=O)(=O)N1CCCCCC1)c1nccs1 159974690 AKADQCOTSOVCMA-NSHDSACASA-N 303.453 2.305 70 50 DEIA Cc1nc(CC(C)C)cc(C(=O)N(C)CC2CCOCC2)n1 217944131 BXJJZCRNDWDDBP-UHFFFAOYSA-N 305.422 2.482 70 50 DEIA Cn1cnnc1SCCNC(=O)c1cc2c(s1)CCCC2 217210966 NPAWBZFYFQCHEP-UHFFFAOYSA-N 322.459 2.278 70 50 DEIA Cc1ncccc1C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875384068 CCMUTPRGBSZMHB-UHFFFAOYSA-N 310.306 2.235 70 50 DEIA C[C@@H]1CCC(C)(C)N1C(=O)c1cncc(OS(=O)(=O)F)c1 1875385611 XLRBKFZZQBQDMX-SECBINFHSA-N 316.354 2.078 70 50 DEIA CC(C)Cn1cc(NC(=O)N[C@H]2c3ccccc3C[C@H]2O)cn1 161337875 KLEZWJHTGXZTLT-CVEARBPZSA-N 314.389 2.319 70 50 DEIA CC[C@@H](C)[C@@H](CO)NC(=O)c1cc2c(OC)ccc(OC)c2[nH]1 217734957 NNSXLDBLULEPIJ-ZWNOBZJWSA-N 320.389 2.322 70 50 DEIA biogenic CC[C@@H]1[C@@H](NC(=O)Cc2ccc3[nH]c(C)nc3c2)[C@@H]2CCO[C@@H]21 218157075 GGYYZNDBLYMNIC-JGTCGTHISA-N 313.401 2.344 70 50 DEIA Cn1ccnc1SCCNC(=O)[C@H]1CCc2ccccc2C1 216954339 PXBHUWSZRDOFNG-HNNXBMFYSA-N 315.442 2.434 70 50 DEIA CN(C(=O)C[C@@H]1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 160317691 QJCUERYXSZSJGH-QWHCGFSZSA-N 301.452 2.238 70 50 DEIA O=C(c1ccsc1)N1CCCO[C@H](CN2CCCCC2)C1 217442921 DZZIDTQDTXTVGE-OAHLLOKOSA-N 308.447 2.465 70 50 DEIA CC(C)Cc1cc(C(=O)N[C@H](C)Cc2cccnc2)nc(N)n1 217358524 VCQQKQCCJUYDLC-GFCCVEGCSA-N 313.405 2.013 70 50 DEIA CC(C)C[C@@H]1CN(C(=O)Cc2ccc(CO)cc2)CC[C@]1(C)O 216977272 JFHBNIMFUDPENM-MJGOQNOKSA-N 319.445 2.367 70 50 DEIA C[C@H]1CN(C(=O)CCc2ccc(Br)cc2)CCN1 217268516 MVZJCJSFBJXXMK-NSHDSACASA-N 311.223 2.202 70 50 DEIA CN(C(=O)C[C@H]1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 160317561 QJCUERYXSZSJGH-CHWSQXEVSA-N 301.452 2.238 70 50 DEIA O=C(N[C@@H]1COc2ccccc2C1)c1scc2c1OCCO2 217692666 QVPYBHMUSMYJNE-NSHDSACASA-N 317.366 2.253 70 50 DEIA Cc1ccc(OC2CN(C(=O)CCN3CCCCC3)C2)cc1 217181425 SAKVEDKJNSERDA-UHFFFAOYSA-N 302.418 2.461 70 50 DEIA O[C@@H]1COCC[C@H]1NC1CCN(c2ccccc2Cl)CC1 218485169 IATYHNFADXXUMQ-GDBMZVCRSA-N 310.825 2.048 70 50 DEIA Cc1cnn(CCC(=O)NCCCn2ccnc2C(C)C)c1 218412288 YNSQIQLJEZIJDS-UHFFFAOYSA-N 303.410 2.108 70 50 DEIA O=C(c1cc2ccccc2s1)N1CCn2nc(CO)cc2C1 216996546 FNZRQZHTWASNKO-UHFFFAOYSA-N 313.382 2.246 70 50 DEIA O=S(=O)(Cl)c1cc(S(=O)(=O)Cl)c(Cl)s1 95676579 QUYCGJSYXGSFPG-UHFFFAOYSA-N 315.608 2.257 70 50 DEIA c1ccc([B-](c2ccccc2)(c2ccccc2)[n+]2ccccc2)cc1 169748321 SFZYDSQSIXWONY-UHFFFAOYSA-N 321.232 2.489 70 50 DEIA Cc1ccc(Cc2nc(C(=O)Nc3ncnn3C)cs2)cc1 160216367 FEXJINFPVXBUEL-UHFFFAOYSA-N 313.386 2.423 70 50 DEIA CCNCC1CCN(C(=O)c2c(Cl)nc3ccccn23)CC1 161066044 CNYAFCQNRYJOLI-UHFFFAOYSA-N 320.824 2.449 70 50 DEIA CCOc1ccc(CCCC(=O)NC[C@@H]2COCCO2)cc1C 217978622 BAYRDCYYXGGZAZ-MRXNPFEDSA-N 321.417 2.248 70 50 DEIA Cn1ccnc1CCNC(=O)c1ccc(N2CCCCC2)cc1 217987534 HYXOKTXINRWMFX-UHFFFAOYSA-N 312.417 2.383 70 50 DEIA COc1ccccc1CCNC(=O)c1cccc(-n2ccnn2)c1 159447280 LGBBCNQIIGLLQX-UHFFFAOYSA-N 322.368 2.248 70 50 DEIA OCCn1nccc1C1CCN(Cc2cccc(F)c2)CC1 160556806 DVHRNRQZPXJLSZ-UHFFFAOYSA-N 303.381 2.394 70 50 DEIA O=C(N[C@H]1CCc2ccccc2C1)c1nc2ccccc2[nH]c1=O 218773285 AMYCTLZSHUEFQK-AWEZNQCLSA-N 319.364 2.210 70 50 DEIA O=S(=O)(F)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 1875375114 RJWGPKLWBJNOGC-SNVBAGLBSA-N 313.272 2.293 70 50 DEIA OCc1cc2n(n1)CCCN(Cc1cc(F)c(F)cc1F)C2 217697246 TVWOKUAJWAONPY-UHFFFAOYSA-N 311.307 2.199 70 50 DEIA CC(C)c1nnc([C@H](C)NC(=O)CCN2CCCCCC2=O)o1 217171152 PTFIZZJJQWOEDU-LBPRGKRZSA-N 322.409 2.163 70 50 DEIA O=C1CCc2ccc(NC(=O)[C@H]3Cc4ccccc4CN3)cc2N1 160415919 BTKYAVUSNRAYKI-QGZVFWFLSA-N 321.380 2.224 70 50 DEIA CN(C)c1ccc(CC(=O)N2CCC(c3cc[nH]n3)CC2)cc1 217190799 PJSFJZNXXAEMLT-UHFFFAOYSA-N 312.417 2.424 70 50 DEIA Cc1cc(N)n(CC(=O)N2CCc3c(Cl)cccc3C2)n1 217175059 GQGRTXLVHKDYCS-UHFFFAOYSA-N 304.781 2.012 70 50 DEIA O=C(Nc1nc2ccccc2[nH]1)c1cccc(S(=O)(=O)F)c1 1347809465 JZVXNAMXPQBADY-UHFFFAOYSA-N 319.317 2.473 70 50 DEIA COc1ccccc1CCC(=O)NCc1nc(CSC)no1 218710156 BXTBQZCRNJRMKV-UHFFFAOYSA-N 321.402 2.190 70 50 DEIA Cc1cc(N)n(CC(=O)NCC2(c3ccccc3)CCCC2)n1 217978952 CJLQPMVBINUURA-UHFFFAOYSA-N 312.417 2.402 70 50 DEIA Cc1cc2c(c(=O)o1)[C@H](c1ccc3c(c1)OCCO3)CC(=O)O2 218125572 LHDRVEYMTQTSRP-NSHDSACASA-N 314.293 2.160 70 50 DEIA biogenic CC(=O)c1[nH]c(C)c(C(=O)N(C)Cc2n[nH]c3c2CCC3)c1C 218085127 JTMRONUQIIWIPX-UHFFFAOYSA-N 314.389 2.318 70 50 DEIA CC1(C)SC[C@@H]1NCc1ccc(OS(=O)(=O)F)cc1 1875385093 MPMOPYGLQJCZIW-NSHDSACASA-N 305.396 2.263 70 50 DEIA Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1C[C@@H]2OCC[C@H]12 217987120 AJYLVAXDXWTNIN-USWWRNFRSA-N 301.795 2.104 70 50 DEIA CCOC(=O)c1c(Cl)c2ncc(S(=O)(=O)F)cc2n1C 675066101 WTEYMMMBZPALCX-UHFFFAOYSA-N 320.729 2.062 70 50 DEIA CN(C)CCCOc1cccc(CN2C[C@@H]3CC[C@H](C2)[C@@H]3O)c1 217008183 WVYQPWUZCHQWLE-DZFIZOCASA-N 318.461 2.220 70 50 DEIA NC[C@@H]1CCCN1C(=O)CCOc1ccc(F)cc1Cl 160280593 JBZOFHYAGLCVFV-NSHDSACASA-N 300.761 2.198 70 50 DEIA Cc1ccc2[nH]c(CCC(=O)NCC3(C)COC3)nc2c1C 217615682 YTKMIWLMJRNYMA-UHFFFAOYSA-N 301.390 2.265 70 50 DEIA CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)Sc2ccncc2)C1 159944017 XBOLZPQZKDJTII-OLZOCXBDSA-N 322.430 2.364 70 50 DEIA Cn1cc([C@@H](NC(=O)c2ccc3[nH]ccc3c2)[C@H]2C[C@@H](O)C2)cn1 218176699 HYDTYBDVYOZIQI-QRTARXTBSA-N 324.384 2.143 70 50 DEIA COc1cccc(N2CCC(N[C@@H]3CCOC[C@H]3OC)CC2)c1 217990739 LQYHAFUDLFCQRH-QZTJIDSGSA-N 320.433 2.058 70 50 DEIA O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)Cl)c1 100614026 OGKGGBNPVRGQQN-UHFFFAOYSA-N 300.517 2.285 70 50 DEIA CCO[C@H]1CN(C(=O)C2(c3ccccc3)CCCCC2)C[C@@H]1O 218761917 GDRGUOLTSPNAQL-IRXDYDNUSA-N 317.429 2.497 70 50 DEIA Cc1nnnn1CCC(=O)N[C@H](CC(C)(C)C)c1cccnc1 218345297 XKZTVBPTBOGJSH-CQSZACIVSA-N 316.409 2.060 70 50 DEIA COc1ccc([C@H]2C[C@H](C)N(C(=O)C3CCNCC3)C2)cc1 161310881 LZDZGKWDZKYMNO-BBRMVZONSA-N 302.418 2.399 70 50 DEIA O=S(=O)(F)Oc1ccccc1-c1nnc2n1CCCCC2 1875389955 VODPLWAHZNXSAR-UHFFFAOYSA-N 311.338 2.265 70 50 DEIA O=S(=O)(Cl)c1ccccc1I 59796786 ZPNWNLNPDRYULE-UHFFFAOYSA-N 302.520 2.219 70 50 DEIA CSc1ncccc1C(=O)N[C@H]1CCOC2(CCOCC2)C1 217055494 ZMZYVEDIYZADOU-LBPRGKRZSA-N 322.430 2.262 70 50 DEIA O=C(NC[C@H](c1ccccc1)N1CCCCC1)c1ccnnc1 217113168 MMUMWCQNCKVVNQ-QGZVFWFLSA-N 310.401 2.434 70 50 DEIA O=C(CCCc1cccs1)N1CCCn2nc(CO)cc2C1 217797085 CCXWKXNPCALHEJ-UHFFFAOYSA-N 319.430 2.192 70 50 DEIA Cc1cccc([C@H](NC(=O)CN2CCCC2=O)c2ccccn2)c1 159715441 ORUFBZZFSQVQBZ-IBGZPJMESA-N 323.396 2.218 70 50 DEIA CCc1c(C(=O)N2CCCn3nc(CO)cc3C2)csc1C 217485821 GSLCKXQGHVATAQ-UHFFFAOYSA-N 319.430 2.354 70 50 DEIA Cc1noc(Cl)c1CC(=O)Nc1cnn(C[C@H]2CCCO2)c1 160545874 IIYPPFKVRZMSMY-LLVKDONJSA-N 324.768 2.193 70 50 DEIA COC[C@@H]1[C@@H](NC(=O)c2ccc(F)c(Cl)c2)[C@@H]2CCO[C@@H]21 218091609 QAXKDCDMBVRTEB-DJBIQUGXSA-N 313.756 2.259 70 50 DEIA Cc1ccc(S(=O)(=O)F)c(I)c1 1857780519 NNQAURXCZJALAC-UHFFFAOYSA-N 300.092 2.258 70 50 DEIA CSc1ccc(CC(=O)N2CC[C@]3(CN(C)C(=O)O3)C2)cc1 217004994 GJGDDIVVRAESDS-INIZCTEOSA-N 320.414 2.004 70 50 DEIA Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CC[C@H](c2cnn(C)c2)C1 160326690 BTUNKVBQBDSGHK-FZMZJTMJSA-N 315.421 2.270 70 50 DEIA CC(C)CCc1cc(C(=O)N[C@H](CO)Cc2ccccc2)[nH]n1 218131030 WCHFDGFQTKDNNP-INIZCTEOSA-N 315.417 2.332 70 50 DEIA COc1cc2c3c([nH]c2cc1Cl)CCN(S(=O)(=O)F)C3 1875368246 BJXOTLCEJIASGW-UHFFFAOYSA-N 318.757 2.402 70 50 DEIA CCc1csc(CNC(=O)c2ccc(N(C)CCO)cc2)n1 217119222 BIFYOQALOPYCTQ-UHFFFAOYSA-N 319.430 2.064 70 50 DEIA CC(C)Cc1nc(NC(=O)c2cc(-c3ccncc3)n[nH]2)n[nH]1 218612453 DWYUREODRHYGOK-UHFFFAOYSA-N 311.349 2.041 70 50 DEIA Cc1cc(=O)cc(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)o1 217202363 PHNPKAYZOHWXDC-UHFFFAOYSA-N 317.732 2.408 70 50 DEIA C[C@@H](Cn1cncn1)NC(=O)Cc1cccc(C(F)(F)F)c1 218325412 UQCWYTKJNFKFHC-JTQLQIEISA-N 312.295 2.044 70 50 DEIA O=S(=O)(F)Oc1cccc(-c2noc([C@@H]3CCCO3)n2)c1 1875368348 KKTQKUGMQKKTMY-JTQLQIEISA-N 314.294 2.181 70 50 DEIA CCc1ccc(C(=O)NCC2(O)C3CC4CC(C3)CC2C4)[nH]1 218577332 OSJMOCQGURUWPT-UHFFFAOYSA-N 302.418 2.494 70 50 DEIA CC(C)c1nn(-c2ccccc2)cc1CNC(=O)[C@@H]1CCNC1 161202378 VQTNLXIWNVPSSG-CQSZACIVSA-N 312.417 2.221 70 50 DEIA Cc1ccc(C(=O)N[C@H](c2cnn(C)c2)C2CC(O)C2)cc1F 218071283 IHDBUGJEXJZPTF-PXCJXSSVSA-N 317.364 2.110 70 50 DEIA COc1ccc(CCCC(=O)N(C)CCc2noc(C)n2)cc1 217992085 XVLFXDMUZFTLHO-UHFFFAOYSA-N 317.389 2.410 70 50 DEIA CC1(C)CC[C@@H]1C(=O)Nc1cncc(OS(=O)(=O)F)c1 1875388096 MTRVCDNMFKQFTE-SNVBAGLBSA-N 302.327 2.049 70 50 DEIA Cc1nc(-n2cccc2)sc1C(=O)Nc1n[nH]c(C2CC2)n1 218242191 PXKRFPCJICJQMF-UHFFFAOYSA-N 314.374 2.490 70 50 DEIA Cc1nc([C@H](C)NC(=O)c2cc(C(C)C)nc(N)n2)cs1 217802215 JCQUMKPKNFTOFB-QMMMGPOBSA-N 305.407 2.438 70 50 DEIA Cc1cc(CN(CCS(=O)(=O)F)Cc2ccsc2)no1 1875382723 NOMFKCCRAXEYSX-UHFFFAOYSA-N 318.395 2.346 70 50 DEIA Cn1cc([C@H](NC(=O)c2ccc(Cl)cc2)C2CC(O)C2)cn1 218408581 WSTBFHTUECLSQH-WDIPEOLASA-N 319.792 2.316 70 50 DEIA CCOc1ccc(NC(=O)N(C)C)cc1S(=O)(=O)Cl 95698163 XGEJPGJBEGCJLZ-UHFFFAOYSA-N 306.771 2.106 70 50 DEIA Cc1nc(COc2cccc(C(=O)N3CC[C@@H](N)C3)c2)cs1 160282987 SSZDPFBTAHLAMX-CYBMUJFWSA-N 317.414 2.204 70 50 DEIA Cc1cc(C)n(CCCNc2cc(C3CC(O)C3)ncn2)n1 218477091 ALOMSEHUDJVMKP-UHFFFAOYSA-N 301.394 2.030 70 50 DEIA C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1C(=O)C1CCNCC1 159548306 YMLLMHRTXQQSQA-JKIFEVAISA-N 302.418 2.363 70 50 DEIA CC[C@H](O)c1cc2n(n1)CCCN(Cc1cccnc1NC)C2 217147001 NBELZKBRXBTANW-INIZCTEOSA-N 315.421 2.169 70 50 DEIA O=S(=O)(F)N1CCC(Cc2nc3ccc(F)cc3o2)CC1 1875368436 RCFJZMROOHKWEL-UHFFFAOYSA-N 316.329 2.436 70 50 DEIA CC(C)CCc1cc(C(=O)N[C@H](CO)c2ccccc2)[nH]n1 218345342 DRLNFQCJSKPDDY-MRXNPFEDSA-N 301.390 2.462 70 50 DEIA CC[C@@H](C)[C@@H](CO)NC(=O)Cc1csc(-c2ccccn2)n1 218162332 QONILLWPJCCFII-BXUZGUMPSA-N 319.430 2.271 70 50 DEIA CN(Cc1cccc(-n2cccn2)c1)C(=O)c1ccncc1O 218307668 FYQHAXIHTYTUOC-UHFFFAOYSA-N 308.341 2.245 70 50 DEIA Cc1[nH]c2c(C(=O)N3CCn4nc(CO)cc4C3)cccc2c1C 217644625 IZHOTZMUEHXLNF-UHFFFAOYSA-N 324.384 2.130 70 50 DEIA CCOC(=O)CN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 161008749 HCOFHNUNGRRELS-QWHCGFSZSA-N 317.307 2.376 70 50 DEIA Cc1cc(O)ccc1C(=O)N1CCN(c2ccncc2C)CC1 218760712 CLHURKVMMHUEGL-UHFFFAOYSA-N 311.385 2.366 70 50 DEIA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1ncoc1C1CC1 218117548 XFJCGIIXCJHUJL-YRGRVCCFSA-N 313.357 2.189 70 50 DEIA C[Si](C)(C)C#Cc1cc(C(=O)O)ccc1S(=O)(=O)F 1501018233 KOJXDFGOXZDYGV-UHFFFAOYSA-N 300.383 2.272 70 50 DEIA Cc1nccn1CCC(=O)N1CCN(C)[C@@H](c2ccccc2)C1 217064484 MLZXQMASVDZTJK-QGZVFWFLSA-N 312.417 2.097 70 50 DEIA Cc1nc([C@@H](C)NC(=O)c2cc(C(C)C)nc(N)n2)cs1 217802133 JCQUMKPKNFTOFB-MRVPVSSYSA-N 305.407 2.438 70 50 DEIA O=C(NC[C@H](O)c1c(Cl)cccc1Cl)[C@@H]1CCCCN1 160683249 QIMSYOLMLMQCGX-RYUDHWBXSA-N 317.216 2.285 70 50 DEIA CCc1nccn1CCC(=O)N[C@H](C)c1nnc(C(C)C)o1 217539384 ZAZIGQOPSWDYCQ-LLVKDONJSA-N 305.382 2.219 70 50 DEIA Cn1cc([C@@H](NC(=O)c2ccc(Cl)cc2)C2CC(O)C2)cn1 218408499 WSTBFHTUECLSQH-KWCHVYNWSA-N 319.792 2.316 70 50 DEIA Cc1ccc2cccc(OCCNC(=O)[C@@H]3CC[C@H](N)C3)c2n1 216853080 IWHYAYGYWVDDSY-CABCVRRESA-N 313.401 2.166 70 50 DEIA CCCO[C@H]1CCCN(C(=O)c2nnc3n2CCCCC3)C1 217742377 WSJQJFZSRKISBW-ZDUSSCGKSA-N 306.410 2.036 70 50 DEIA C/C=C/c1ccc(OCC(=O)N2CCC[C@@H]2CN)c(OC)c1 160235406 SQEXEQQOZUENCT-LYKUJDHUSA-N 304.390 2.057 70 50 DEIA COc1ccc(NC(=O)CC2(n3cccc3)CCOCC2)cn1 218262491 YGQLVZWMUZTMNN-UHFFFAOYSA-N 315.373 2.426 70 50 DEIA COc1ccc2ncc(C(=O)NCCc3ccncc3)c(O)c2c1 218290780 PNKIPKOANNHFAR-UHFFFAOYSA-N 323.352 2.317 70 50 DEIA CSCc1ccc(C(=O)NCCSc2nccn2C)o1 217203763 WVVATVLAHLMZIV-UHFFFAOYSA-N 311.432 2.398 70 50 DEIA O=C(c1ccc2nccn2c1)N1CCCC[C@H]1CN1CCCC1 218758924 ZKNLPVPCAYRQHL-INIZCTEOSA-N 312.417 2.425 70 50 DEIA O[C@@H](c1ccc(F)cc1)C1CCN(CC2(O)CCOCC2)CC1 160107136 ROAWWSQJAILTQQ-KRWDZBQOSA-N 323.408 2.113 70 50 DEIA Cn1cnc(S(=O)(=O)N2CCC[C@H]3CCCC[C@H]32)c1Cl 159463782 GDCMDIKBZIDEAG-GHMZBOCLSA-N 317.842 2.417 70 50 DEIA CN(C[C@@H]1Cc2ccccc2O1)C(=O)c1ccn(C(F)F)n1 218502981 DLPXXEDFJADGCQ-NSHDSACASA-N 307.300 2.354 70 50 DEIA COC(=O)C[C@@H](c1ccncc1)c1cc2c(cc1O)OCO2 218088352 QKKAVASZXLXXQU-NSHDSACASA-N 301.298 2.211 70 50 DEIA biogenic CCSc1ccc(C(=O)N(C)C[C@@H]2COCCO2)s1 216910490 NFKLTJIJMATTAE-SNVBAGLBSA-N 301.433 2.348 70 50 DEIA Cc1n[nH]c([C@@H]2CCCN(C(=O)c3ccccc3N(C)C)C2)n1 216961157 UVYUSJCWBZBLFA-CYBMUJFWSA-N 313.405 2.199 70 50 DEIA CCOCCOc1cccc(C(=O)N[C@H]2C[C@@H]3OCC[C@H]23)c1 218432372 HRASGZOHOWNVOP-PMPSAXMXSA-N 305.374 2.009 70 50 DEIA O=C(Cc1c(F)ccc(Cl)c1F)N1CCc2n[nH]cc2C1 218048741 XFTAFMZIAIMVSF-UHFFFAOYSA-N 311.719 2.469 70 50 DEIA COCc1nc2n(n1)C[C@@H](Nc1cccc(F)c1C(C)=O)CC2 161377088 PQSLTMCNMYDYIM-NSHDSACASA-N 318.352 2.193 70 50 DEIA Cc1cc(=O)cc(C(=O)NCc2ccc(-n3ccnc3C)cc2)o1 218109085 BIAREADYHQGNOX-UHFFFAOYSA-N 323.352 2.372 70 50 DEIA COc1cccc(C2(CNC(=O)[C@H]3CSCN3)CCCC2)c1 159476299 OSHZPOUHMPUJAS-OAHLLOKOSA-N 320.458 2.286 70 50 DEIA COc1cn(CC(=O)Nc2ccc3[nH]ccc3c2)c(C)cc1=O 218364581 KNELDUFXZWMDAG-UHFFFAOYSA-N 311.341 2.285 70 50 DEIA CC[C@@H](NC(=O)c1cnc(O)cn1)c1nc2cc(C)ccc2[nH]1 217773426 VICWIRKFJVBIEZ-SNVBAGLBSA-N 311.345 2.248 70 50 DEIA Cc1nc(CNC(=O)[C@H]2Cc3ccccc3O2)nc2c1CCCC2 218510168 MKMYOBXPOHNNQG-QGZVFWFLSA-N 323.396 2.284 70 50 DEIA C[C@H](CC#N)N(CCS(=O)(=O)F)Cc1c(F)cccc1F 1875382949 YSYRHTSXIBMWJM-SNVBAGLBSA-N 320.336 2.368 70 50 DEIA O=S(=O)(F)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 1875373708 LKBWSPZMTYMUQH-SNVBAGLBSA-N 313.272 2.293 70 50 DEIA Cc1coc(CN(CCS(=O)(=O)F)Cc2cc(C)on2)c1 1875382664 LHYPHIHLNSZLOI-UHFFFAOYSA-N 316.354 2.186 70 50 DEIA COc1cc2c(cc1OC)[C@@H](C1CC1)N(S(=O)(=O)F)CC2 1875373754 NVLSVXXIVOGFLD-CQSZACIVSA-N 315.366 2.227 70 50 DEIA COCC[C@H](C)N(CCS(=O)(=O)F)Cc1cccs1 1875382490 CXOYXZPWTOQONI-NSHDSACASA-N 309.428 2.274 70 50 DEIA CC(C)c1nc(NC(=O)c2cn(C)c(=O)c3ccccc23)n[nH]1 218295771 MZUOIMCOSPHGQA-UHFFFAOYSA-N 311.345 2.032 70 50 DEIA Cc1ccc(C(=O)NCCc2noc(C(F)(F)F)n2)s1 217783839 CDCHDFDVMWJBOH-UHFFFAOYSA-N 305.281 2.431 70 50 DEIA CCOCCOc1ccccc1C(=O)N[C@H](C)c1n[nH]c(C)n1 217523644 HJPIXOGPDBZXGW-LLVKDONJSA-N 318.377 2.019 70 50 DEIA Cn1cc([C@H](NC(=O)c2ccc3[nH]ccc3c2)[C@H]2C[C@@H](O)C2)cn1 218176780 HYDTYBDVYOZIQI-FRFSOERESA-N 324.384 2.143 70 50 DEIA Cc1cc(C)n(CC2CC2)c(=O)c1C(=O)NCc1cccnc1 218599903 NQKZGHDLNJCHGI-UHFFFAOYSA-N 311.385 2.200 70 50 DEIA N[C@@H]1CCN(C(=O)/C=C/c2ccc(OCc3cccnc3)cc2)C1 160251982 QOINPROEXUSJIM-ZGRWHYIRSA-N 323.396 2.233 70 50 DEIA O=C(CCOC[C@H]1CCCO1)N[C@H]1CCOC2(CCCC2)C1 159855444 PPGMYQAGZVKMQG-LSDHHAIUSA-N 311.422 2.180 70 50 DEIA CC[C@H](NC(=O)CCc1cccnc1)c1cn2cccnc2n1 217514872 KVCIQZPHNNLZNY-AWEZNQCLSA-N 309.373 2.324 70 50 DEIA NC[C@@H]1CCCN1C(=O)c1ccn(-c2cccc(Cl)c2)n1 160207146 ZUHDOEHYIPZMSQ-ZDUSSCGKSA-N 304.781 2.089 70 50 DEIA O[C@@H]1COCC[C@H]1NC1CCN(c2cccc(Cl)c2)CC1 218283918 XWOJAHBNPYHEQE-HZPDHXFCSA-N 310.825 2.048 70 50 DEIA O=C(Cc1ccsc1)N[C@H](Cc1ccncc1)C1CC(O)C1 218470738 NDIUABTZOYZTPA-UYSNPLJNSA-N 316.426 2.184 70 50 DEIA O=C(CN1CCCCCCC1)N1CCC[C@@H](Cn2ccnc2)C1 218024873 KEIDKQRZVISPSZ-KRWDZBQOSA-N 318.465 2.388 70 50 DEIA Cc1noc(C)c1C(=O)NCCn1nc(C(F)(F)F)cc1C 218164497 ZCRLASUWPVYTOR-UHFFFAOYSA-N 316.283 2.245 70 50 DEIA COC(=O)[C@@H](C)Nc1ccc(N2CCOC(C)(C)C2)cc1OC 160278300 GITYMMFBYANCBS-GFCCVEGCSA-N 322.405 2.284 70 50 DEIA CC(=O)N1CC(Nc2cccc(OC(F)(F)F)c2)=CC1=O 218291349 CJDFERMQUPRWHC-UHFFFAOYSA-N 300.236 2.270 70 50 DEIA O=C(N[C@@H]1C[C@@H]2OCC[C@@H]21)C1=Cc2cc(Cl)ccc2OC1 218747147 HQWCPVAMXZGSDY-NFAWXSAZSA-N 305.761 2.409 70 50 DEIA Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(-c2ccccc2)o1 218159994 OWGASFWNMHVLRV-LBPRGKRZSA-N 311.341 2.279 70 50 DEIA O=c1[nH]c(CN2CCCSCC2)nc2sc3c(c12)CCC3 161486327 LLPWQBIOBDAIFZ-UHFFFAOYSA-N 321.471 2.412 70 50 DEIA CCNc1nc(C)c(C(=O)N[C@H](CC)Cn2ccnc2)s1 217731232 PUWWOWLWKVXBCJ-LLVKDONJSA-N 307.423 2.288 70 50 DEIA O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)F)cc1 675065388 CYQUTHPCIMAJAG-UHFFFAOYSA-N 323.132 2.198 70 50 DEIA CN(C)c1ccc(CC(=O)N2CC[C@@](O)(c3ccccc3)C2)cc1 218089488 QQRDFSSSOWSJMI-FQEVSTJZSA-N 324.424 2.415 70 50 DEIA CCCCC[C@@H](C)NC(=O)c1cncc(OS(=O)(=O)F)c1 1875384625 HLBSJVZYUYBWHK-SNVBAGLBSA-N 318.370 2.373 70 50 DEIA O=C(N[C@H]1COC[C@@H]1N1CCCCC1)c1ccccc1Cl 218186605 CBEBJDBGVORUTH-GJZGRUSLSA-N 308.809 2.323 70 50 DEIA COc1ccc([C@@H]2C[C@@H](C)N(C(=O)C3CCNCC3)C2)cc1 161311002 LZDZGKWDZKYMNO-CZUORRHYSA-N 302.418 2.399 70 50 DEIA CCNc1nc(C)c(C(=O)NCc2cn3ccccc3n2)s1 216990445 UYKHRVQSHLOHIF-UHFFFAOYSA-N 315.402 2.461 70 50 DEIA CN(C)[C@@H](C(=O)N1CCC(C)(CO)CC1)c1ccccc1F 217199498 AUBBJZCJMWEIHV-OAHLLOKOSA-N 308.397 2.049 70 50 DEIA Cc1cc([C@@H](C)NC(=O)CNC[C@H]2CCCO2)cc(C)c1F 161298694 LPMGGCSOSGFHJJ-UKRRQHHQSA-N 308.397 2.388 70 50 DEIA O=S(=O)(F)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 1875374766 DNTSFXPLWWUCQU-MRVPVSSYSA-N 302.302 2.361 70 50 DEIA COc1ccccc1OC(C)(C)C(=O)N(C)Cc1cc[nH]n1 217400270 AWJXHUCCTUDDTG-UHFFFAOYSA-N 303.362 2.234 70 50 DEIA C[C@H](NC(=O)c1cccc(OC(F)F)c1)c1nnc(N)s1 218256805 SEYCBWSIJKEJKU-LURJTMIESA-N 314.317 2.213 70 50 DEIA CSc1ccc(C(=O)NCCCn2ccccc2=O)cc1 217202845 JSTFSVKDJNIKHF-UHFFFAOYSA-N 302.399 2.390 70 50 DEIA Cc1c(C(=O)N2CCC[C@H]2CN)cnn1-c1cccc(Cl)c1 160251789 XNJVMDKAYPNTSB-AWEZNQCLSA-N 318.808 2.397 70 50 DEIA NC[C@@H]1CCCN1C(=O)COc1ccc(C(F)(F)F)cc1 160310277 CUFKIVRLLQPTDC-NSHDSACASA-N 302.296 2.034 70 50 DEIA Cc1noc(C)c1C[C@H](C)Nc1ccc(S(=O)(=O)F)cn1 1614999636 VPLCOAUNJFLGJT-QMMMGPOBSA-N 313.354 2.388 70 50 DEIA CC1(C)[C@@H]2CN(C(=O)Cc3ccc(S(=O)(=O)F)cc3)C[C@H]21 952879297 OBMSNHKICHNCQN-CHWSQXEVSA-N 311.378 2.002 70 50 DEIA O=S(=O)(Cl)c1ccc(Cl)c(S(=O)(=O)Cl)c1 100141500 ZADVSJRCRBFCTK-UHFFFAOYSA-N 309.579 2.195 70 50 DEIA COC(=O)C[C@@H](c1ccc(OC)cc1)c1c(O)cc(C)oc1=O 217944154 OQKZPAXQLIAKFN-ZDUSSCGKSA-N 318.325 2.357 70 50 DEIA biogenic CC(C)Cc1cc(C(=O)N[C@H](CO)c2ccccc2)n(C)n1 218174919 QVYBLCPZGZZSOX-OAHLLOKOSA-N 301.390 2.082 70 50 DEIA CC(C)c1nn(-c2ccccc2)cc1CNC(=O)[C@H]1CCNC1 161202457 VQTNLXIWNVPSSG-AWEZNQCLSA-N 312.417 2.221 70 50 DEIA C[C@H]1CN(C(=O)CCc2cc(Br)cs2)CCN1 217276187 KEPJYWGJWHPQML-VIFPVBQESA-N 317.252 2.264 70 50 DEIA COc1cccc(SCC(=O)NCCc2c(C)n[nH]c2C)c1 218685473 SFZDVIZVUMGDPU-UHFFFAOYSA-N 319.430 2.486 70 50 DEIA O=C(CCOC[C@@H]1CCCO1)N[C@H]1CCOC2(CCCC2)C1 159855180 PPGMYQAGZVKMQG-GJZGRUSLSA-N 311.422 2.180 70 50 DEIA Cc1ccc(CN(C)CC(=O)NCCc2c(C)n[nH]c2C)cc1 218447643 QQZWDHYSTUFHIZ-UHFFFAOYSA-N 314.433 2.126 70 50 DEIA CCOc1ccc(CCCC(=O)NC[C@H]2COCCO2)cc1C 217978686 BAYRDCYYXGGZAZ-INIZCTEOSA-N 321.417 2.248 70 50 DEIA COCC(C)(C)C(=O)N1CCCN(Cc2ccccc2)CC1 161170297 ZZHPTKDLOSJZDJ-UHFFFAOYSA-N 304.434 2.394 70 50 DEIA Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2ccc3ncccc3c2)o1 217656940 UDAADNWARLZOAB-ZDUSSCGKSA-N 324.336 2.209 70 50 DEIA biogenic CC(C)c1nc(NC(=O)c2n[nH]c3c2COc2ccccc2-3)n[nH]1 218217774 WOWZUTWMAGPWTJ-UHFFFAOYSA-N 324.344 2.463 70 50 DEIA COCC[C@@H](C)N(CCS(=O)(=O)F)Cc1cccs1 1875382489 CXOYXZPWTOQONI-LLVKDONJSA-N 309.428 2.274 70 50 DEIA COc1cccc(Cl)c1CC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 160768117 FGQBEYPBGXEORU-WDEREUQCSA-N 324.808 2.051 70 50 DEIA CCCCn1c(CN2C[C@H](O)[C@@H](OCC)C2)nc2ccccc21 218101193 YESZEUMWESLNMW-IRXDYDNUSA-N 317.433 2.418 70 50 DEIA CNC[C@@H]1CCCN1C(=O)c1csc(-c2ccccn2)n1 161209391 CDRNPFPGHKPOQF-NSHDSACASA-N 302.403 2.029 70 50 DEIA Cc1ccc(F)c(OCC(=O)Nc2nnc(C(F)(F)F)[nH]2)c1 160803336 NMSFPGLJUVWLIP-UHFFFAOYSA-N 318.230 2.289 70 50 DEIA COc1cccc(SCC(=O)N2CC[C@H](C(C)(C)O)C2)c1 218403983 VIQFSTKOYNGTQY-LBPRGKRZSA-N 309.431 2.407 70 50 DEIA O=C(c1nnc2n1CCCCC2)N1CCC[C@H]1c1nccs1 217192282 JPGZSZLQRKTFDD-NSHDSACASA-N 317.418 2.438 70 50 DEIA COc1ccc(C2(C(=O)N3C[C@@H]4CC[C@H]3CN(C)C4)CC2)cc1 216858511 CIEKURJKLWEHAK-ZBFHGGJFSA-N 314.429 2.279 70 50 DEIA CC(C)(C)OC(=O)NCc1cccc(OS(=O)(=O)F)c1 1875374336 KXIYHNIOMLLZHQ-UHFFFAOYSA-N 305.327 2.304 70 50 DEIA C[C@@H](NC(=O)c1cccc(OC(F)F)c1)c1nnc(N)s1 218256754 SEYCBWSIJKEJKU-ZCFIWIBFSA-N 314.317 2.213 70 50 DEIA Cc1cc(CN(CCS(=O)(=O)F)CC(F)F)cs1 1875382427 AMVRRPBUGGXHFJ-UHFFFAOYSA-N 301.355 2.423 70 50 DEIA COCc1nc(C)c(CNC(=O)c2cnc(SC)nc2)s1 218705218 IOHUONKDEJFINP-UHFFFAOYSA-N 324.431 2.040 70 50 DEIA Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2ccnc3ccccc23)o1 217872828 GEFHRCGXCVVYQP-CYBMUJFWSA-N 324.336 2.209 70 50 DEIA biogenic O=C(c1ccc2nccn2c1)N1CCCC[C@@H]1CN1CCCC1 218758884 ZKNLPVPCAYRQHL-MRXNPFEDSA-N 312.417 2.425 70 50 DEIA CC[C@H](NC(=O)c1cnc(O)cn1)c1nc2cc(C)ccc2[nH]1 217773490 VICWIRKFJVBIEZ-JTQLQIEISA-N 311.345 2.248 70 50 DEIA CN(C)c1ccc(CCC(=O)N2C[C@H]3CC[C@@H](C2)N(C)C3)cc1 217910947 SAJFCMVCNZMQRK-WMZOPIPTSA-N 315.461 2.238 70 50 DEIA CSc1ncccc1C(=O)N(C)[C@@H](C)Cc1cnccn1 218385313 KURPDEBTZXEALE-NSHDSACASA-N 302.403 2.297 70 50 DEIA C[C@@H](C(=O)Nc1ccc(OS(=O)(=O)F)cc1)c1cccnc1 1875384807 IUZBUMROUADRBA-SNVBAGLBSA-N 324.333 2.417 70 50 DEIA O=C1c2ccccc2C(=O)[C@@H]2C=C(S(=O)(=O)Cl)C=C[C@H]12 390834902 OZOQAOHRHZKIAY-NWDGAFQWSA-N 308.742 2.320 70 50 DEIA Cn1ccnc1[C@H](O)C1CCN(C(=O)CCC(F)(F)F)CC1 218382312 PMOMXYBWDUJRAM-GFCCVEGCSA-N 319.327 2.035 70 50 DEIA COc1nccnc1N[C@@H]1CCOC[C@H]1OCc1ccccc1 218185276 NOTCWTLKJKHOBQ-HUUCEWRRSA-N 315.373 2.271 70 50 DEIA O=C(OCc1ccccc1)N1CCC[C@@H](CS(=O)(=O)F)C1 253388120 YZTMTUVCNFFNOF-CYBMUJFWSA-N 315.366 2.335 70 50 DEIA Cc1nnc(CCNC(=O)CCc2ccc(N(C)C)cc2)s1 217780828 UARPKXARRPNKGF-UHFFFAOYSA-N 318.446 2.204 70 50 DEIA Cc1cc(C)c2c(O)c(C(=O)NCCc3c[nH]cn3)cnc2c1 218391338 VASLNZSMSBMOIC-UHFFFAOYSA-N 310.357 2.253 70 50 DEIA NC(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1 160742589 RJLOQWICPNQWNE-UHFFFAOYSA-N 300.240 2.321 70 50 DEIA COc1cccc(Cl)c1CC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 160768505 FGQBEYPBGXEORU-MNOVXSKESA-N 324.808 2.051 70 50 DEIA Cc1cccc(C)c1-n1nnnc1Cn1cnc(C(C)C)cc1=O 160918983 ZNKYOQDKFSEOKC-UHFFFAOYSA-N 324.388 2.008 70 50 DEIA CN([C@H](CN)C1CC1)S(=O)(=O)c1ccccc1C(F)(F)F 159921851 SODGUCSMJIWBBS-LLVKDONJSA-N 322.352 2.063 70 50 DEIA CCOc1ncccc1C(=O)NCc1sc(COC)nc1C 218705928 FOAXQYBJFJRLCI-UHFFFAOYSA-N 321.402 2.322 70 50 DEIA CSc1ccc(CC(=O)N2C[C@@H]3CCC[C@H](C2)C(=O)N3)cc1 217188853 CLNSWVPEWVGIGG-KGLIPLIRSA-N 318.442 2.078 70 50 DEIA COCc1ccc([C@@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)o1 161396984 KCHHKXNKKQOOPT-AWEZNQCLSA-N 316.357 2.102 70 50 DEIA O=[N+]([O-])c1cccc(S(=O)(=O)Cl)c1Br 126424589 UJRIAWJTBQVISY-UHFFFAOYSA-N 300.517 2.285 70 50 DEIA in-vitro Cc1cc(C(=O)NCc2cnn(-c3ccccc3C)c2)cc(=O)[nH]1 217716083 QQDVNSDTMMBOFF-UHFFFAOYSA-N 322.368 2.107 70 50 DEIA CN(Cc1cc(=O)oc2cc(O)ccc12)C[C@H]1CCC[C@@H]1O 159739526 KVAABUONNJGUFN-ABAIWWIYSA-N 303.358 2.091 70 50 DEIA Cc1cc(NC(=O)c2cccnc2)ccc1OS(=O)(=O)F 1875374282 IJUZSCMZIKRMLJ-UHFFFAOYSA-N 310.306 2.235 70 50 DEIA O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)[C@H]1CCCCN1 160680293 QIMSYOLMLMQCGX-VXGBXAGGSA-N 317.216 2.285 70 50 DEIA O=C1CCc2ccc(NC(=O)[C@@H]3Cc4ccccc4CN3)cc2N1 160416007 BTKYAVUSNRAYKI-KRWDZBQOSA-N 321.380 2.224 70 50 DEIA CN(C)Cc1cccc(CN(C)C(=O)C(=O)c2ccco2)c1 218349201 WUYJASWYCBCERA-UHFFFAOYSA-N 300.358 2.183 70 50 DEIA O=C(c1cnc2ccccc2c1)N1CCC(n2cnnc2)CC1 217167411 WQNFOERADRCUBF-UHFFFAOYSA-N 307.357 2.304 70 50 DEIA COC[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccnn1C 218725392 ATQJRJYEHJXZRJ-INIZCTEOSA-N 313.401 2.416 70 50 DEIA Cc1cc(C(=O)N[C@H](c2ccccc2)c2nccn2C)nc(C)n1 217971015 ROSHLGAMOMLCHQ-MRXNPFEDSA-N 321.384 2.346 70 50 DEIA Cc1nnnn1CCC(=O)N[C@@H](CC(C)(C)C)c1cccnc1 218345220 XKZTVBPTBOGJSH-AWEZNQCLSA-N 316.409 2.060 70 50 DEIA O=C(NCC1(C2CC2)CC1)Nc1ccnn1C[C@@H]1CCOC1 159922777 UAVCETOCKXIAHP-LBPRGKRZSA-N 304.394 2.231 70 50 DEIA CC(C)(O)CCc1cccc(C(=O)N[C@H]2C[C@@H]3OCC[C@H]23)c1 218581915 UKCVICYLQQLQAN-PMPSAXMXSA-N 303.402 2.297 70 50 DEIA CN(Cc1ccc(OS(=O)(=O)F)cc1)Cc1nccs1 1875387618 PSELKKQZWKRDJD-UHFFFAOYSA-N 316.379 2.368 70 50 DEIA O=S(=O)(F)Oc1cccc(-c2nnc3n2CCCCC3)c1 2325887691 WJLXHDSGYRICCG-UHFFFAOYSA-N 311.338 2.265 70 50 DEIA COCCN1C[C@@H](Cc2cc(C(F)(F)F)ccn2)CC1=O 218471767 NNIVILBPQRZMHG-JTQLQIEISA-N 302.296 2.138 70 50 DEIA Cc1cc2c(c(=O)o1)[C@@H](c1cc3ccccc3[nH]c1=O)CC(=O)O2 218043259 PNAWDWDRVROPTK-LLVKDONJSA-N 323.304 2.231 70 50 DEIA biogenic C[C@H](C1CCN(C(=O)c2cccc(N)n2)CC1)N1CCCC1 216985753 CBGODZSTVLDFLY-CYBMUJFWSA-N 302.422 2.000 70 50 DEIA O=S(=O)(F)c1c(Br)cncc1Br 1857786016 JOZOEQTZVKLFET-UHFFFAOYSA-N 318.949 2.265 70 50 DEIA O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)C1CCNCC1 159680576 KKTVXTQIRVHWEF-CYBMUJFWSA-N 317.216 2.143 70 50 DEIA O=S(=O)(F)CCN(Cc1cccnc1)C[C@@H]1CCCS1 1875382738 OKHBTFYPYNOYSD-ZDUSSCGKSA-N 318.439 2.079 70 50 DEIA COc1cccc(CCNC(=O)c2cccc(-c3ncn[nH]3)c2)c1 160690825 ZPJNRBOFBJVPAS-UHFFFAOYSA-N 322.368 2.453 70 50 DEIA COc1cc2c(cc1OC)[C@H](C1CC1)N(S(=O)(=O)F)CC2 1875373753 NVLSVXXIVOGFLD-AWEZNQCLSA-N 315.366 2.227 70 50 DEIA CN1C[C@@H]2CC[C@H](C1)N(C(=O)c1cc(-c3ccccc3)nn1C)C2 217012045 PJJZQNIHBVKDST-GOEBONIOSA-N 324.428 2.253 70 50 DEIA CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)Sc2ccncc2)C1 159944274 XBOLZPQZKDJTII-STQMWFEESA-N 322.430 2.364 70 50 DEIA COc1cc([C@@H]2CC(=O)Oc3cc(C)oc(=O)c32)ccc1O 217965927 BZCDSKFGNMNRJY-JTQLQIEISA-N 302.282 2.103 70 50 DEIA biogenic CCOCC(=O)N[C@H](C)c1cnn(-c2cccc(OC)c2)c1 218468248 SMHYQOQIBCXLBX-GFCCVEGCSA-N 303.362 2.095 70 50 DEIA O=C(Cc1c[nH]cn1)NC[C@H](c1ccccc1)N1CCCCC1 217590596 ONWDORNKMMTQGE-QGZVFWFLSA-N 312.417 2.296 70 50 DEIA COc1ccc(F)c(F)c1CN1CCn2nc([C@@H](C)O)cc2C1 216998506 WLCRGLXJXIIPNH-SNVBAGLBSA-N 323.343 2.239 70 50 DEIA Cc1nccn1CCC(=O)N1CC(c2nc3ccccc3[nH]2)C1 217757797 KFDAMFBIIKZSFN-UHFFFAOYSA-N 309.373 2.084 70 50 DEIA Cc1nn(Cc2cccc(S(=O)(=O)F)c2)c(C)c1[N+](=O)[O-] 1875381259 ORKPKDJHJRRDLS-UHFFFAOYSA-N 313.310 2.115 70 50 DEIA O=C1c2ccccc2N2C(=O)c3ccccc3[C@@H]2N1CCCO 217971162 UIAYVPVWXXVEGZ-MRXNPFEDSA-N 308.337 2.184 70 50 DEIA biogenic O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)C1CCNCC1 159680710 KKTVXTQIRVHWEF-ZDUSSCGKSA-N 317.216 2.143 70 50 DEIA O=C(NCc1cccc(C(F)(F)F)c1)N1CC[C@@H](CO)C1 160887541 SDEKFKSAKCETJY-LLVKDONJSA-N 302.296 2.229 70 50 DEIA CC1(C)OB(c2ccc(F)c(S(=O)(=O)Cl)c2)OC1(C)C 200195242 CABUIVNSRGQLPD-UHFFFAOYSA-N 320.578 2.052 70 50 DEIA Cc1cc(C[C@@H](C)NC(=O)Nc2ccc([S@@](C)=O)cc2)n[nH]1 161127137 UUJRIHOCDCRHGX-STFLBKPXSA-N 320.418 2.208 70 50 DEIA COC[C@@H](c1ccc(C)o1)N(CCS(=O)(=O)F)CC1CC1 1875382872 VCWHEVPBWXTBRM-ZDUSSCGKSA-N 319.398 2.287 70 50 DEIA CC(C)(C)OC(=O)NCc1ccccc1OS(=O)(=O)F 1875389947 STWYTJNLFZJZSX-UHFFFAOYSA-N 305.327 2.304 70 50 DEIA O=C(Cc1ccsc1)N[C@H]1CCOC[C@H]1C1CCOCC1 218069835 ISXHVCGYJSYEJJ-GJZGRUSLSA-N 309.431 2.239 70 50 DEIA CC(=O)NC1CCC(NCc2ccc(OC(C)C)nc2)CC1 161303646 SKOHKWWLWUBSHR-UHFFFAOYSA-N 305.422 2.406 70 50 DEIA Cc1cc(F)c([N+](=O)[O-])cc1OS(=O)(=O)C(F)(F)F 102219303 XQBDWMFHWBSZHR-UHFFFAOYSA-N 303.189 2.271 70 50 DEIA COCc1ccc([C@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)o1 161396848 KCHHKXNKKQOOPT-CQSZACIVSA-N 316.357 2.102 70 50 DEIA COCC[C@H]1CCCCN1C(=O)c1ccc(OC)nc1OC 218669467 LWHKLPWEZOVQSX-GFCCVEGCSA-N 308.378 2.130 70 50 DEIA CO[C@@H]1[C@H]2CC[C@@H]1CN(Cc1cnc(-c3ccccn3)nc1)C2 217678899 RVYIYZFXIOQGNR-QLPKVWCKSA-N 310.401 2.395 70 50 DEIA CC[C@@H](C)[C@@H](CO)NC(=O)c1cc(-n2cnnc2)ccc1Cl 218257848 LNJIGYJKBSVDND-QMTHXVAHSA-N 322.796 2.058 70 50 DEIA Cc1cc2nc(CCNC(=O)[C@H]3CCC[C@@H](O)C3)[nH]c2cc1C 218751839 OKUISEQLRHYCDA-UONOGXRCSA-N 315.417 2.390 70 50 DEIA CC(C)Cc1cc(C(=O)N(C)[C@H](C)c2ccncc2)nc(=O)[nH]1 216957090 RLXGYKYHIGTEQX-GFCCVEGCSA-N 314.389 2.197 70 50 DEIA COc1ccc2c(O)c(C(=O)NCCc3ccncc3)cnc2c1 218205468 ZYCLUXNBYYOELR-UHFFFAOYSA-N 323.352 2.317 70 50 DEIA O=S(=O)(F)Oc1ccc(OCCN2CCCCC2)cc1 1875374461 RIEIOWMNIYOEBN-UHFFFAOYSA-N 303.355 2.144 70 50 DEIA Cn1cc([C@H](NC(=O)CCc2ccsc2)[C@H]2C[C@H](O)C2)cn1 218086168 VFRVPQJTLASTBS-IVMMDQJWSA-N 319.430 2.043 70 50 DEIA COc1ccc([C@H]2CC(=O)Oc3cc(C)oc(=O)c32)cc1OC 218048098 AUDCNNGISXTLAD-LLVKDONJSA-N 316.309 2.406 70 50 DEIA biogenic COCCC(=O)N[C@H](c1ccncc1)c1ccc(OC)cc1 218328434 DDECAONKTUIFQQ-KRWDZBQOSA-N 300.358 2.332 70 50 DEIA COc1ccc(NC(=O)CCc2nc(C(C)C)no2)cc1N 161162909 PLRKVDOVQQPFBJ-UHFFFAOYSA-N 304.350 2.355 70 50 DEIA COCc1cc(CNC(=O)c2ccc(N3CCCC3)cc2)n[nH]1 218006625 ZOWLFSMXQQAUSK-UHFFFAOYSA-N 314.389 2.086 70 50 DEIA O=C(CCOC[C@@H]1CCCO1)N[C@@H]1CCOC2(CCCC2)C1 159855065 PPGMYQAGZVKMQG-CABCVRRESA-N 311.422 2.180 70 50 DEIA CSC1(CN(CCS(=O)(=O)F)Cc2cncs2)CC1 1875382897 WMFSUQSDCJDUKF-UHFFFAOYSA-N 324.468 2.140 70 50 DEIA O=C(CCn1cncn1)N1CC=C(c2ccccc2F)CC1 159726046 IBPVHHGQMGEBQS-UHFFFAOYSA-N 300.337 2.123 70 50 DEIA O=C(C1CCC1)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccc1 216671160 NEVZVHUDWWUWSZ-SJORKVTESA-N 312.413 2.436 70 50 DEIA Cc1noc(C)c1CC(=O)NC[C@@H]1CCCN2CCCC[C@H]12 217599131 JRUSAQHGJRHLLS-GOEBONIOSA-N 305.422 2.215 70 50 DEIA biogenic CC1(C)OC(=O)C[C@@H]1C(=O)NCCc1c[nH]c2ccc(F)cc12 218600079 OUIZKIGBJBJYCU-CYBMUJFWSA-N 318.348 2.307 70 50 DEIA CSc1ncccc1C(=O)NCCCn1c(C)cccc1=O 217473359 LTMDLQJWMOWMFW-UHFFFAOYSA-N 317.414 2.094 70 50 DEIA Cn1ncc2c(=O)n(CCCSCc3ccccc3)cnc21 159736497 GFEFEBVVOMMGGH-UHFFFAOYSA-N 314.414 2.454 70 50 DEIA Cc1ccc(C)n1CC(=O)NC[C@@H]1CCCN2CCCC[C@H]12 218087288 XGCLXCXDGFNQRH-DLBZAZTESA-N 303.450 2.486 70 50 DEIA biogenic CC[C@@H](O)c1cc2n(n1)CCN(CCOc1ccc(F)cc1)C2 217189564 QOSBECLDLWNMFG-QGZVFWFLSA-N 319.380 2.360 70 50 DEIA COc1cn(CC(=O)Nc2cccc3ncccc23)c(C)cc1=O 218430045 IZOXMGTVIMTIHU-UHFFFAOYSA-N 323.352 2.352 70 50 DEIA CC[C@H](O)c1cc2n(n1)CCN(CCOc1ccc(F)cc1)C2 217189569 QOSBECLDLWNMFG-KRWDZBQOSA-N 319.380 2.360 70 50 DEIA NC[C@@H]1CCCN1C(=O)c1cnc(Cc2ccc(F)cc2)s1 160324313 MDEFYCPOTFFJHQ-ZDUSSCGKSA-N 319.405 2.436 70 50 DEIA Cc1cc(N2CCN(C(=O)CCc3cccnc3)CC2)ccn1 218458497 SNBQTERTYLFMSQ-UHFFFAOYSA-N 310.401 2.066 70 50 DEIA O=C(NCc1cc(-c2ccccn2)no1)c1ccc2c(c1)OCO2 218025189 DYXNGYPFMBPTDA-UHFFFAOYSA-N 323.308 2.395 70 50 DEIA C[Si](C)(C)C#Cc1cc(C(=O)O)cc(S(=O)(=O)F)c1 1501018174 CNXMDAYMSVWYAS-UHFFFAOYSA-N 300.383 2.272 70 50 DEIA CN1CCN(C(=O)c2ncc(F)cc2F)C[C@@H]1c1ccccc1 217537792 JMIOWQLPWFZQBS-OAHLLOKOSA-N 317.339 2.489 70 50 DEIA N[C@H]1CC[C@@H](C(=O)NCCc2cccc(C(F)(F)F)c2)C1 217091153 IAQADMNBADXWAV-YPMHNXCESA-N 300.324 2.492 70 50 DEIA Cc1ccc(C(=O)N[C@H](c2cnn(C)c2)C2CC(O)C2)c(F)c1 218022435 AVYJKZLMIVHGCY-TZDAIYRESA-N 317.364 2.110 70 50 DEIA COc1cc(C(=O)N2CC[C@@H](N)C2)ccc1OCCC(C)C 160295763 HZWBXKVRRZRPQN-CQSZACIVSA-N 306.406 2.293 70 50 DEIA COc1ccc([C@@H]2CC(=O)Oc3cc(C)oc(=O)c32)c(OC)c1 217957374 LVPNNKZKVQLQSV-LBPRGKRZSA-N 316.309 2.406 70 50 DEIA biogenic CCOC(=O)C1=C(OS(=O)(=O)C(F)(F)F)CCCC1 32098891 VWIUHGUFSGOXDX-UHFFFAOYSA-N 302.270 2.244 70 50 DEIA in-vitro O=C(OCc1ccccc1)N1CCC[C@H](S(=O)(=O)Cl)C1 100628549 MCYGNOGDLRRQSD-LBPRGKRZSA-N 317.794 2.356 70 50 DEIA in-vitro CSc1ncc(C(=O)NCc2cn3ccc(C)cc3n2)cn1 218209956 ZXFGTUDLDCLHCV-UHFFFAOYSA-N 313.386 2.085 70 50 DEIA CN([C@@H](CN)C1CC1)S(=O)(=O)c1ccccc1C(F)(F)F 159921718 SODGUCSMJIWBBS-NSHDSACASA-N 322.352 2.063 70 50 DEIA CN(CC1(CO)CCOCC1)C(=O)c1scc2c1CCCC2 218051365 YZRGNWMJJBEKHK-UHFFFAOYSA-N 323.458 2.488 70 50 DEIA NC(=O)c1ccc(NC(=O)CCN2CC[C@@H]3CCCC[C@@H]32)cc1 159589990 ORMROGYSALRXGX-BBRMVZONSA-N 315.417 2.379 70 50 DEIA O=C(c1ccsc1)N1CCCN(Cc2ccccn2)CC1 218478445 WOLBLFVHXWQMQT-UHFFFAOYSA-N 301.415 2.491 70 50 DEIA Cc1[nH]c2c(CN3CCn4nc(CO)cc4C3)cccc2c1C 217688058 UJZAEQXFWOAPGN-UHFFFAOYSA-N 310.401 2.489 70 50 DEIA Cn1ccnc1SCCNC(=O)[C@@H]1CCc2ccccc2C1 216954323 PXBHUWSZRDOFNG-OAHLLOKOSA-N 315.442 2.434 70 50 DEIA O[C@H]1CN(Cc2cccc3cc[nH]c23)CCN(c2ccncc2)C1 217020482 BOSMAYUGTJVNIN-SFHVURJKSA-N 322.412 2.246 70 50 DEIA O=c1c(NCc2ccc(Cl)cc2)c(N2CCSCC2)c1=O 218120145 QLIARJRNFAFEBI-UHFFFAOYSA-N 322.817 2.101 70 50 DEIA CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)Sc2ccncc2)C1 159943876 XBOLZPQZKDJTII-CHWSQXEVSA-N 322.430 2.364 70 50 DEIA Cc1coc(CN(CCS(=O)(=O)F)C2CC(F)(F)C2)c1 1875382419 AECDVJCITUMJTM-UHFFFAOYSA-N 311.325 2.487 70 50 DEIA CCc1nnc(CNC(=O)CCc2ccc3c(c2)OCO3)s1 218251132 TWIYXFCOZRTVHJ-UHFFFAOYSA-N 319.386 2.078 70 50 DEIA COc1cccnc1N(C)C(=O)c1c(OC)cccc1OC 161360796 MBXJBLQIFAJXML-UHFFFAOYSA-N 302.330 2.384 70 50 DEIA Cc1noc(C)c1CN(C)C(=O)COCC(F)(F)C(F)F 218355100 NVULYBJXJQFCLV-UHFFFAOYSA-N 312.263 2.167 70 50 DEIA Cc1ccc(CCNC(=O)CC[C@@H](C)N2CCN(C)CC2)s1 218670220 MDJTYEHSSFZMBX-CQSZACIVSA-N 323.506 2.131 70 50 DEIA CCNC(=O)Nc1ccc(OCC)c(S(=O)(=O)Cl)c1 95698145 YMACTXMUPWOQOQ-UHFFFAOYSA-N 306.771 2.154 70 50 DEIA O=C(N[C@@H]1CCOC[C@H]1O)C(c1ccccc1)c1ccccc1 218744602 WRYBGFNFEWDMBX-IAGOWNOFSA-N 311.381 2.085 70 50 DEIA O=C(NCC1(C2CC2)CC1)Nc1ccnn1C[C@H]1CCOC1 159922917 UAVCETOCKXIAHP-GFCCVEGCSA-N 304.394 2.231 70 50 DEIA CCO[C@H]1CN(CC2=Cc3cc(Cl)ccc3OC2)C[C@@H]1O 218362102 DXZPKLATNHTNTR-HOCLYGCPSA-N 309.793 2.197 70 50 DEIA Cc1cc(C)c(CNC(=O)CCCN2CCCCC2=O)cn1 218059495 QUQOYKOFOPJKFV-UHFFFAOYSA-N 303.406 2.107 70 50 DEIA O=C(CCOC[C@H]1CCCO1)N[C@@H]1CCOC2(CCCC2)C1 159855328 PPGMYQAGZVKMQG-HUUCEWRRSA-N 311.422 2.180 70 50 DEIA COc1ccc([C@@H]2C[C@H](C)N(C(=O)C3CCNCC3)C2)cc1 161311140 LZDZGKWDZKYMNO-XJKSGUPXSA-N 302.418 2.399 70 50 DEIA CCOCCOc1ccccc1C(=O)N[C@@H](C)c1n[nH]c(C)n1 217523550 HJPIXOGPDBZXGW-NSHDSACASA-N 318.377 2.019 70 50 DEIA Cc1cnc(NC(=O)c2cccc(OS(=O)(=O)F)c2)s1 1875390078 TVHRGHNZBIITCR-UHFFFAOYSA-N 316.335 2.297 70 50 DEIA COCCN1C[C@H](Cc2cc(C(F)(F)F)ccn2)CC1=O 218471840 NNIVILBPQRZMHG-SNVBAGLBSA-N 302.296 2.138 70 50 DEIA O=C(NS(=O)(=O)C1CCCCC1)[C@@H]1OCCc2ccccc21 160642543 MIENMZGWRLBNGU-OAHLLOKOSA-N 323.414 2.079 70 50 DEIA CC1(C)OC(=O)C[C@H]1C(=O)NCCn1ccc2ccccc21 218561814 KXCOLIBFPIDAHQ-ZDUSSCGKSA-N 300.358 2.099 70 50 DEIA CCOCCOc1ccccc1C(=O)N(C)Cc1nc(C)c[nH]1 217977329 IJYFKWATWIYZOQ-UHFFFAOYSA-N 317.389 2.406 70 50 DEIA CCOC(=O)c1ccc(S(=O)(=O)F)c(Br)c1 238852560 GNGCHEFBFNAVBB-UHFFFAOYSA-N 311.128 2.284 70 50 DEIA Cc1occc1CN(CCS(=O)(=O)F)C[C@@H]1CCSC1 1875382488 CXCSDOJWBKMXAD-LBPRGKRZSA-N 321.439 2.442 70 50 DEIA Cc1cc(CNC(=O)[C@@H]2CCCN(Cc3ccco3)C2)no1 218250167 XJXQMJOJOVLHMU-CYBMUJFWSA-N 303.362 2.104 70 50 DEIA Cc1noc(C)c1C[C@H](C)NS(=O)(=O)c1cccs1 159902904 LVUGTBZENLNCCG-QMMMGPOBSA-N 300.405 2.262 70 50 DEIA Nc1[nH]nc(C(=O)NCc2nc(C3CCCCC3)no2)c1Cl 218768825 PXQOHQSYOPYYCL-UHFFFAOYSA-N 324.772 2.006 70 50 DEIA O=S(=O)(F)CCSc1nnc2sc3ccccc3n12 100558787 OAUIRQJNIHCLTP-UHFFFAOYSA-N 317.392 2.335 70 50 DEIA CC[C@@H](C)[C@@H](CO)NC(=O)Cn1cnc(-c2ccccc2)c1 218280345 JGJQWVCFWFMZNM-CZUORRHYSA-N 301.390 2.073 70 50 DEIA Cc1cccc(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)n1 1875384401 GOBOVBHQGZPJNR-UHFFFAOYSA-N 310.306 2.235 70 50 DEIA O=C(CCn1cccn1)N[C@H](Cn1ccnc1)c1ccccc1 218611647 PPKAQDQZRMNYBO-MRXNPFEDSA-N 309.373 2.027 70 50 DEIA Cc1cccc(CCN2CCCn3nc([C@H](C)O)cc3C2)n1 217362633 QSCYFOJDQMJOCO-AWEZNQCLSA-N 300.406 2.088 70 50 DEIA CCSCC(=O)N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1 218693554 VPDGKMWMXPQVLU-MQBCKMQZSA-N 321.442 2.303 70 50 DEIA Cc1nnc(CNC(=O)c2cnc3cc(Cl)ccc3c2O)o1 217942318 QCXNKGGDMWFHFT-UHFFFAOYSA-N 318.720 2.215 70 50 DEIA COC(=O)c1cc(C)c(OS(=O)(=O)C(F)(F)F)c(C)c1 115442856 LDBAVJDFQNAEKO-UHFFFAOYSA-N 312.265 2.318 70 50 DEIA N[C@@H]1CCN(C(=O)COc2ccccc2Cc2ccccc2)C1 160201493 GEPLCDOXDKTELO-QGZVFWFLSA-N 310.397 2.216 70 50 DEIA Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)NC2CC2)n1 218247964 SGPKWGIFLRFAQS-INIZCTEOSA-N 310.401 2.395 70 50 DEIA O=S(=O)(F)N1CCOC[C@H]1c1ccc(C(F)(F)F)cc1 1875374629 AUKIPOQTPRNXPA-JTQLQIEISA-N 313.272 2.293 70 50 DEIA Cc1cccc(N(C)C(=O)c2cncc(OS(=O)(=O)F)c2)c1 1875385386 SAMGHYJQKZWAEG-UHFFFAOYSA-N 324.333 2.260 70 50 DEIA CCCCC[C@H](C)NC(=O)c1cncc(OS(=O)(=O)F)c1 1875384624 HLBSJVZYUYBWHK-JTQLQIEISA-N 318.370 2.373 70 50 DEIA CN(C)c1ccc(CC(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3N(C)C)cc1 217680904 ZWPSHOKYYDCSHQ-MNZLEMJZSA-N 315.461 2.094 70 50 DEIA CC1(C)[C@H]2CN(C(=O)Cc3ccc(S(=O)(=O)F)cc3)C[C@H]21 952879284 OBMSNHKICHNCQN-BETUJISGSA-N 311.378 2.002 70 50 DEIA Cc1ccc(C(=O)N[C@@H](c2cnn(C)c2)C2CC(O)C2)c(F)c1 218022340 AVYJKZLMIVHGCY-IJGSQOGDSA-N 317.364 2.110 70 50 DEIA O=S(=O)(F)c1cccc(CNc2ccc3c(c2)C[C@H](O)C3)c1 1875369682 AXUKSHKAVFCTGZ-OAHLLOKOSA-N 321.373 2.416 70 50 DEIA CCCc1cc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@@H]2COC)cs1 218013963 SDRVKTRUUVYNOE-YJNKXOJESA-N 309.431 2.480 70 50 DEIA Cc1cc(C[C@H](C)NC(=O)Nc2cnc(C3CC3)nc2)n[nH]1 159589444 CQCSJPFVGPQKOU-VIFPVBQESA-N 300.366 2.138 70 50 DEIA Cc1cc2c(c(=O)o1)[C@H](c1cc3ccccc3[nH]c1=O)CC(=O)O2 218043178 PNAWDWDRVROPTK-NSHDSACASA-N 323.304 2.231 70 50 DEIA biogenic Cc1cc(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)on1 218014201 YFPYEASDPRUHKA-CABCVRRESA-N 316.357 2.087 70 50 DEIA CCCn1cnnc1[C@@H](C)NC(=O)Cc1ccc(O)c(Cl)c1 218537504 DQKMOAPCZPCWLA-SNVBAGLBSA-N 322.796 2.467 70 50 DEIA Cc1cc(C)n(-c2ccc(C(=O)N3CCCNCC3)cc2F)n1 160880070 XUFXAJKHHJDATO-UHFFFAOYSA-N 316.380 2.064 70 50 DEIA Cc1nnc(CCNC(=O)[C@H]2CCc3ccccc3C2)s1 218431249 HAZIZCQPWREXJX-AWEZNQCLSA-N 301.415 2.310 70 50 DEIA CSc1ncccc1C(=O)N[C@@H]1CCOC2(CCOCC2)C1 217055457 ZMZYVEDIYZADOU-GFCCVEGCSA-N 322.430 2.262 70 50 DEIA COc1ccc2ncc(C(=O)NCCc3ccccn3)c(O)c2c1 218157675 FRDVZAFXGDWGGL-UHFFFAOYSA-N 323.352 2.317 70 50 DEIA O=C(NC[C@@H](c1ccccc1)N1CCCCC1)c1ccnnc1 217113154 MMUMWCQNCKVVNQ-KRWDZBQOSA-N 310.401 2.434 70 50 DEIA CN(C)c1ccccc1C(=O)N1CC[C@H](N2CCCCC2)C1 217137644 LNPILNXHQKJBCH-HNNXBMFYSA-N 301.434 2.453 70 50 DEIA C[C@@H](O)c1cc2n(n1)CCCN(c1ncnc3ccsc13)C2 217453749 UALAXBQZZXPLCB-SNVBAGLBSA-N 315.402 2.351 70 50 DEIA C[C@@H](CC(=O)N1CCC(CS(=O)(=O)F)CC1)c1ccco1 2325886010 IREJHLCUJSGKFB-NSHDSACASA-N 317.382 2.311 70 50 DEIA COc1ccc(CCC(=O)NCc2snnc2C)cc1OC 218483027 IGZYACQSSHKEQB-UHFFFAOYSA-N 321.402 2.113 70 50 DEIA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)CCN1Cc3ccccc3C1)C2 217170794 ISANCFDLHPKNDG-DZFIZOCASA-N 314.429 2.276 70 50 DEIA Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)NC2CC2)n1 218248037 SGPKWGIFLRFAQS-MRXNPFEDSA-N 310.401 2.395 70 50 DEIA C[C@H]1CCCC[C@H]1N(CCS(=O)(=O)F)Cc1ccon1 1875382836 TYKDBKYTAGHWQM-WCQYABFASA-N 304.387 2.355 70 50 DEIA CC(C)CC[C@H](C)NC(=O)c1cncc(OS(=O)(=O)F)c1 1875385125 NBVKZGPDNVVJHH-JTQLQIEISA-N 318.370 2.229 70 50 DEIA CCc1ncnc(N2CCC(Nc3cccnn3)CC2)c1F 159383761 UFSOXPKXWREAII-UHFFFAOYSA-N 302.357 2.049 70 50 DEIA COC[C@@H](O)CCNC(=O)CCCc1c[nH]c2ccccc12 161364256 GCKILFWEWRALPX-AWEZNQCLSA-N 304.390 2.004 70 50 DEIA CSCCC(=O)N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1 218289389 HWWYNZFQXYRPGR-ZIAGYGMSSA-N 313.394 2.231 70 50 DEIA O=C(Cc1cccnc1)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1Cc1ccccc1 218163950 KDJVMIIVKUZEGO-HNJRGHQBSA-N 322.408 2.387 70 50 DEIA Cc1ccc(CCNC(=O)CC[C@H](C)N2CCN(C)CC2)s1 218670286 MDJTYEHSSFZMBX-AWEZNQCLSA-N 323.506 2.131 70 50 DEIA CCCOc1ccc(C(=O)NC[C@H]2COCCO2)cc1Cl 217631374 QJPPNFCSJNVDHO-LBPRGKRZSA-N 313.781 2.274 70 50 DEIA O=C(NCC[C@@H]1CCCN2CCCC[C@H]12)[C@H](O)c1ccccc1 217712302 QFHABASLTNEXIO-CGTJXYLNSA-N 316.445 2.491 70 50 DEIA Cc1ccc2[nH]c(SCC(=O)NCc3cc[nH]n3)nc2c1 218121427 SQQOLSSNMSQZSX-UHFFFAOYSA-N 301.375 2.003 70 50 DEIA Cc1cccn2c(CNC(=O)c3ncc(F)cc3F)cnc12 218179845 HQODJNRKZZUZST-UHFFFAOYSA-N 302.284 2.246 70 50 DEIA Cc1ccc(CC(=O)Nc2cncc(OS(=O)(=O)F)c2)cc1 1875387791 XMHLDXREVMFCFY-UHFFFAOYSA-N 324.333 2.164 70 50 DEIA O=C(NCC1CCOCC1)c1cnc2ccc(F)cc2c1O 218121513 ULVRKSQXDVZOFL-UHFFFAOYSA-N 304.321 2.236 70 50 DEIA Cn1nc2c(Br)cccc2c1S(=O)(=O)Cl 103524977 ILOYQKIZJQLFST-UHFFFAOYSA-N 309.572 2.263 70 50 DEIA CC[C@@H](C)[C@@H](CO)NC(=O)c1ccc2nc(C)c(C)nc2c1 218251533 LXAXLHBLFVONAC-QLJPJBMISA-N 301.390 2.383 70 50 DEIA Cc1noc(C)c1C[C@@H](C)Nc1ccc(S(=O)(=O)F)cn1 1614999633 VPLCOAUNJFLGJT-MRVPVSSYSA-N 313.354 2.388 70 50 DEIA Cc1ccc(I)cc1S(=O)(=O)F 1772718227 YZNJKIBBPHYWKI-UHFFFAOYSA-N 300.092 2.258 70 50 DEIA Cc1cc2c(c(=O)o1)[C@@H](c1ccc3c(c1)OCCO3)CC(=O)O2 218125659 LHDRVEYMTQTSRP-LLVKDONJSA-N 314.293 2.160 70 50 DEIA biogenic CC[C@@H](C)[C@@H](CO)NC(=O)c1c[nH]nc1-c1ccccc1OC 218171341 QLQLWCMBQYEFED-BXUZGUMPSA-N 317.389 2.222 70 50 DEIA Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccc(-c2ccccc2)o1 218159913 OWGASFWNMHVLRV-GFCCVEGCSA-N 311.341 2.279 70 50 DEIA O=C(c1cnco1)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 218371518 AIRDLHOHRTXEKG-CVEARBPZSA-N 311.385 2.411 70 50 DEIA Cc1cc(F)c(OS(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] 169809357 QBQGIOUVLGMFMW-UHFFFAOYSA-N 303.189 2.271 70 50 DEIA O=C(N[C@H]1CCOC2(CCOCC2)C1)c1cc(F)ccc1F 217032783 OCUFYFQOKCUARC-LBPRGKRZSA-N 311.328 2.423 70 50 DEIA O[C@@H]1[C@H]2CC[C@@H]1CN(Cc1c[nH]nc1-c1cccc(F)c1)C2 217178074 STWOZRLEMQUZBM-LAQFHYBYSA-N 301.365 2.419 70 50 DEIA CN(Cc1n[nH]c2c1CCC2)C(=O)[C@H](O)c1ccccc1Cl 218160846 LYHMKMHYGSMGRT-OAHLLOKOSA-N 319.792 2.244 70 50 DEIA O=C(NOCc1ccccc1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 161313273 APSJIXRWOOTRFI-ZNMIVQPWSA-N 302.374 2.375 70 50 DEIA C[C@@H](C(=O)N(C)C1CCCCC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 161148555 LQJOPMURLFYGQT-QEJZJMRPSA-N 320.433 2.341 70 50 DEIA CCn1nc(C)cc1C(=O)N(Cc1cnn(C)c1)CC(C)C 218207026 VSIWZWSCRBLIOZ-UHFFFAOYSA-N 303.410 2.243 70 50 DEIA O=C(N[C@H](Cc1ccncc1)[C@H]1C[C@H](O)C1)c1cc(Cl)c[nH]1 218065494 AFDYOMVUTJXBIL-KWCYVHTRSA-N 319.792 2.175 70 50 DEIA Cc1ccccc1[C@@H]1CN(C(=O)[C@@H]2CCCNC2)[C@H](C)CO1 161469491 SFALZMSMOAJHBX-INMHGKMJSA-N 302.418 2.283 70 50 DEIA CCc1oc(C(=O)NCC2(C)COC2)cc1CN(CC)CC 217184281 XKVCMFBDRNPPHB-UHFFFAOYSA-N 308.422 2.450 70 50 DEIA Cc1cc(C)n(CC2CC2)c(=O)c1C(=O)NCc1ccccn1 218500298 CPFLPXAEFDSSKY-UHFFFAOYSA-N 311.385 2.200 70 50 DEIA COc1cc([C@H]2CC(=O)Oc3cc(C)oc(=O)c32)ccc1O 217966007 BZCDSKFGNMNRJY-SNVBAGLBSA-N 302.282 2.103 70 50 DEIA biogenic CCCO[C@@H]1CCCN(C(=O)c2nnc3n2CCCCC3)C1 217742295 WSJQJFZSRKISBW-CYBMUJFWSA-N 306.410 2.036 70 50 DEIA COC(=O)c1ccc([C@H]2CC(=O)Oc3cc(C)oc(=O)c32)cc1 218072084 BGXBFDAUOCBEMY-GFCCVEGCSA-N 314.293 2.176 70 50 DEIA biogenic CCOCC(=O)N[C@@H](C)c1cnn(-c2cccc(OC)c2)c1 218468167 SMHYQOQIBCXLBX-LBPRGKRZSA-N 303.362 2.095 70 50 DEIA COC[C@@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccnn1C 218725325 ATQJRJYEHJXZRJ-MRXNPFEDSA-N 313.401 2.416 70 50 DEIA Cn1cc(CC(=O)NCCc2nc(C3CC3)no2)c2ccccc21 217001773 ZOQCWSHTYBGWDB-UHFFFAOYSA-N 324.384 2.340 70 50 DEIA O=C(OCc1ccccc1)N1CCC(S(=O)(=O)Cl)CC1 100005758 HEGCWAOVTPVFBJ-UHFFFAOYSA-N 317.794 2.356 70 50 DEIA in-vitro CCc1nc(C)c(CN(CCS(=O)(=O)F)CC2(F)CC2)o1 1875382814 SQRXBGDZSNOWRC-UHFFFAOYSA-N 322.377 2.149 70 50 DEIA Cc1cc(C(=O)O)cc(S(=O)(=O)Cl)c1Br 100033465 WKVPXUFUECCEED-UHFFFAOYSA-N 313.556 2.383 70 50 DEIA Cc1nc[nH]c1CN1CCn2nc([C@H](O)c3ccccc3)cc2C1 217193335 CFOPFVYMCKIILJ-GOSISDBHSA-N 323.400 2.012 70 50 DEIA CN(Cc1ccccc1-n1cccn1)C(=O)c1ccncc1O 218486479 QLNUXMICJKLVJC-UHFFFAOYSA-N 308.341 2.245 70 50 DEIA CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@@H]1CSCN1 161055778 DEBNNHRYGNWJAZ-XDTLVQLUSA-N 314.838 2.195 70 50 DEIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cc2ccccc2o1 218437966 ZZIZVQSIXOWEKT-OJDYBEQGSA-N 301.342 2.213 70 50 DEIA Cc1cc(C[C@H](C)NC(=O)Nc2ccc([S@@](C)=O)cc2)n[nH]1 161127250 UUJRIHOCDCRHGX-MGUXCZDKSA-N 320.418 2.208 70 50 DEIA Cc1noc(Cl)c1CC(=O)Nc1cnn(C[C@@H]2CCCO2)c1 160545742 IIYPPFKVRZMSMY-NSHDSACASA-N 324.768 2.193 70 50 DEIA O=S(=O)(F)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 1875375113 RJWGPKLWBJNOGC-JTQLQIEISA-N 313.272 2.293 70 50 DEIA CCCn1cc(CNC(=O)c2ccc(SCCO)cc2)cn1 218185932 PWGJPLVZVIBFNR-UHFFFAOYSA-N 319.430 2.308 70 50 DEIA CN(C[C@H]1Cc2ccccc2O1)C(=O)c1ccn(C(F)F)n1 218503061 DLPXXEDFJADGCQ-LLVKDONJSA-N 307.300 2.354 70 50 DEIA CC(C)Cc1cc(C(=O)NCCCC[C@H]2CCCO2)nc(N)n1 218274796 UZQKFCFOEQYPIJ-AWEZNQCLSA-N 320.437 2.336 70 50 DEIA O=C(CCC(F)(F)F)NCCc1nc(-c2cccnc2)no1 218300989 HRBXISKLWBUIHR-UHFFFAOYSA-N 314.267 2.133 70 50 DEIA COc1ccc(F)c(F)c1CN1CCn2nc([C@H](C)O)cc2C1 216998520 WLCRGLXJXIIPNH-JTQLQIEISA-N 323.343 2.239 70 50 DEIA CCc1ccc(C(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)[nH]1 218093734 RIDIASIPSZQZNJ-GJZGRUSLSA-N 306.406 2.139 70 50 DEIA O=C(N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1)c1cc[nH]n1 218026056 LOIJXUGDLUHYHC-MKTAYPAQSA-N 322.368 2.200 70 50 DEIA O=C1CCCc2cc(Br)c(S(=O)(=O)F)cc2N1 675066604 SDYINZMJGBVZMK-UHFFFAOYSA-N 322.155 2.382 70 50 DEIA CC[C@@H](C)[C@@H](CO)NC(=O)CCc1nnc(-c2ccccc2)o1 218144094 LHDJZLPAKPHKLO-TZMCWYRMSA-N 317.389 2.192 70 50 DEIA Cc1cc2c(c(=O)o1)[C@H](c1coc3ccccc3c1=O)CC(=O)O2 218076284 YFYBBTOMGQIKAE-NSHDSACASA-N 324.288 2.496 70 50 DEIA biogenic CC(C)CC[C@@H](C)NC(=O)c1cncc(OS(=O)(=O)F)c1 1875385126 NBVKZGPDNVVJHH-SNVBAGLBSA-N 318.370 2.229 70 50 DEIA Cn1nc2cccc(Br)c2c1S(=O)(=O)Cl 103538419 ZSFHIGZLROQHTA-UHFFFAOYSA-N 309.572 2.263 70 50 DEIA Cn1cc([C@H](NC(=O)C2CCCCCC2)C2CC(O)C2)cn1 218580535 UUJCZTISBDHQRH-AVVWSFFYSA-N 305.422 2.319 70 50 DEIA CC(=O)c1ccc(C(=O)N2CCC(n3cnnc3)CC2)s1 217201913 CPGHNBAMINDZRK-UHFFFAOYSA-N 304.375 2.020 70 50 DEIA C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC[C@@H]1CN 160291942 DYXRTRDGDODDPD-GHMZBOCLSA-N 316.323 2.422 70 50 DEIA Cn1ccnc1CN(C(=O)[C@H](O)c1ccc(Cl)cc1)C1CC1 218394199 XBVULUCKODSYEV-OAHLLOKOSA-N 319.792 2.298 70 50 DEIA O=C1CCc2cc(Br)c(S(=O)(=O)Cl)cc2N1 100628668 HXFZLMGHEOHXEH-UHFFFAOYSA-N 324.583 2.261 70 50 DEIA in-vitro CCC(CC)N[C@@H]1CCOC[C@H]1Oc1ccc(C(N)=O)cc1 218098681 XNLIZIHIMBFHQP-HZPDHXFCSA-N 306.406 2.100 70 50 DEIA Cc1[nH]c2ccccc2c1CCNC(=O)C(=O)c1cccn1C 217352111 FPERYJZWGFHYEL-UHFFFAOYSA-N 309.369 2.356 70 50 DEIA C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC[C@@H]1CN 160291809 DYXRTRDGDODDPD-WDEREUQCSA-N 316.323 2.422 70 50 DEIA COCc1nc2n(n1)C[C@H](Nc1cccc(F)c1C(C)=O)CC2 161376948 PQSLTMCNMYDYIM-LLVKDONJSA-N 318.352 2.193 70 50 DEIA CCOC(=O)c1sc2ncc(S(=O)(=O)F)cc2c1C 675063243 OWFHXJYHNJTDNH-UHFFFAOYSA-N 303.336 2.440 70 50 DEIA CSCC[C@@H](CO)NC(=O)c1ccc2nc(C)c(C)nc2c1 218353704 YTZNBTBXNHVJEI-ZDUSSCGKSA-N 319.430 2.090 70 50 DEIA COc1ccc([C@H]2CC(=O)Oc3cc(C)oc(=O)c32)c(OC)c1 217957452 LVPNNKZKVQLQSV-GFCCVEGCSA-N 316.309 2.406 70 50 DEIA biogenic COc1cccc(Cl)c1CC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 160768374 FGQBEYPBGXEORU-GHMZBOCLSA-N 324.808 2.051 70 50 DEIA O=C(NCc1cccc(C(F)(F)F)c1)N1CC[C@H](CO)C1 160887426 SDEKFKSAKCETJY-NSHDSACASA-N 302.296 2.229 70 50 DEIA O=C(NOCc1ccccc1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 161313520 APSJIXRWOOTRFI-KFWWJZLASA-N 302.374 2.375 70 50 DEIA C[C@](O)(CNc1cn[nH]c(=O)c1Cl)c1ccccc1Cl 160199202 JZAYWOXSAFMRSG-ZDUSSCGKSA-N 314.172 2.396 70 50 DEIA Cc1cnccc1C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875385358 RIJMLAOZEWLHLV-UHFFFAOYSA-N 310.306 2.235 70 50 DEIA NC[C@@H]1CCCN1C(=O)Cc1ccc(F)c(Br)c1 160308100 SMEAGNFSWDLVCP-JTQLQIEISA-N 315.186 2.080 70 50 DEIA Cc1cc(C(=O)N2CC(Oc3ccccc3F)C2)nc(C)n1 217853882 XQPQQTUXOSADNL-UHFFFAOYSA-N 301.321 2.136 70 50 DEIA Cc1cc2c(c(=O)o1)[C@@H](c1coc3ccccc3c1=O)CC(=O)O2 218076373 YFYBBTOMGQIKAE-LLVKDONJSA-N 324.288 2.496 70 50 DEIA biogenic CCc1nccn1CC(=O)N1CCCC[C@@H]1CCn1cccn1 218143387 RGJLWHYUHDLSPQ-OAHLLOKOSA-N 315.421 2.113 70 50 DEIA Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2ccc(O)c(Cl)c2)o1 218295207 YKZFMCGRQGQSLG-VIFPVBQESA-N 323.732 2.020 70 50 DEIA CC1(C)CC(C)(C(=O)Nc2cncc(OS(=O)(=O)F)c2)C1 1875388051 LFUZNSKTWVIPQN-UHFFFAOYSA-N 316.354 2.440 70 50 DEIA Cc1ccc([C@H](C(=O)N(C)CCc2cnn(C)c2)N(C)C)cc1 217178900 SUPICLFQEYUECC-QGZVFWFLSA-N 314.433 2.032 70 50 DEIA O=C(NC1CCCCCC1)c1cncc(OS(=O)(=O)F)c1 1875384890 JTEHLGWTVRIMFN-UHFFFAOYSA-N 316.354 2.127 70 50 DEIA CSc1ncc(CNC(=O)CCOc2ccccc2)n1C 218450482 MQNWUMPYMZVUME-UHFFFAOYSA-N 305.403 2.227 70 50 DEIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccc(OC(C)C)cc1 218573797 CVKQGCLHQOZOFU-HZMVEIRTSA-N 319.401 2.254 70 50 DEIA Cc1cc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[nH]3)cc2)ncn1 160095659 NFROFOLKUXZIJR-UHFFFAOYSA-N 321.340 2.096 70 50 DEIA Cc1cnc(C(=O)NCC2(c3ccccc3)CCN(C)CC2)cn1 218077118 ZPLKKJNLEYCVAU-UHFFFAOYSA-N 324.428 2.178 70 50 DEIA O=S(=O)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)F 100036876 XLXYXEHVIIRCGY-UHFFFAOYSA-N 300.098 2.346 70 50 DEIA in-vitro CC[C@@H](C)[C@@H](CO)NC(=O)c1ccc(OC)c(-n2cccn2)c1 218234828 MJUXLBXSUJPYCQ-TZMCWYRMSA-N 317.389 2.018 70 50 DEIA CC[C@@H](NS(=O)(=O)c1c(C)noc1C)c1nccs1 159916509 QZLSJRIZMSPNRJ-SECBINFHSA-N 301.393 2.178 70 50 DEIA Cc1n[nH]c(C)c1CCCNc1cc(C2CC(O)C2)ncn1 218556780 NQIDBTSOLPPITJ-UHFFFAOYSA-N 301.394 2.100 70 50 DEIA O=C(c1ccnnc1)N1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 217499886 DZRYEBCXMJSTTG-CQSZACIVSA-N 311.320 2.469 70 50 DEIA CN(C(=O)c1cccc(Oc2ccccc2)c1)[C@H]1COC[C@@H]1O 218295499 MDQLXJMDZPMGLH-IRXDYDNUSA-N 313.353 2.311 70 50 DEIA COCCN1C[C@@H]2CC[C@H]1CN(C(=O)c1cc(F)ccc1C)C2 216937827 NTWIKYYFPIQJPQ-HOCLYGCPSA-N 320.408 2.317 70 50 DEIA O=C(N[C@@H]1C=CCCC1)N1CCN(Cc2ccccn2)CC1 160703164 IMBIEJGTYFDATQ-OAHLLOKOSA-N 300.406 2.018 70 50 DEIA CC1(C)[C@H]2CN(C(=O)Cc3ccc(S(=O)(=O)F)cc3)C[C@@H]21 952879299 OBMSNHKICHNCQN-STQMWFEESA-N 311.378 2.002 70 50 DEIA Cn1nc2ccc(Br)cc2c1S(=O)(=O)Cl 103539576 LHNLKWSQTIGYDB-UHFFFAOYSA-N 309.572 2.263 70 50 DEIA Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(Cl)cc1Cl 218338960 VSZXINQCUFZWDV-VIFPVBQESA-N 314.172 2.326 70 50 DEIA O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 170594901 NUYCYAANRANXPA-UHFFFAOYSA-N 315.347 2.146 70 50 DEIA Cc1nn(CCC(=O)NCCCc2ccccn2)c(C)c1C 218441229 WVMNRRJARNUGIX-UHFFFAOYSA-N 300.406 2.342 70 50 DEIA O=S(=O)(F)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 1875374767 DNTSFXPLWWUCQU-QMMMGPOBSA-N 302.302 2.361 70 50 DEIA