smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc(F)ccc1F 65362313 USFBOVHLQWGLEF-OAHLLOKOSA-N 300.264 2.889 50 50 DFGA Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c(C)c1 292278 MLCVPLOGGCTJHV-OAHLLOKOSA-N 308.337 2.783 50 50 DFGA O=C(COc1cccc(Cl)c1)N/N=C\c1ccc(O)cc1 30802320 XRSMJTDQLBMKAP-MFOYZWKCSA-N 304.733 2.575 50 50 DFGA O=C1O[C@@H]2[C@H]3C[C@@H](C[C@H]13)[C@@H]2S[C@@H](CCl)C(F)(F)F 245256345 PHZHBRBWSFVGGP-WPAQIBSUSA-N 300.729 2.839 50 50 DFGA CC(C)(C)OC(=O)N1CCC[C@H]1CCCNC(=O)CCl 1875369876 NRBQGYJTRNAQRX-LLVKDONJSA-N 304.818 2.521 50 50 DFGA O=C(Cc1c[nH]c2ccccc12)N/N=C/c1cccc([N+](=O)[O-])c1 18194457 GYUOGMLCPGFTAL-VXLYETTFSA-N 322.324 2.769 50 50 DFGA Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1c(F)cccc1Cl 529379 STKWOOHFIMUKLT-QGMBQPNBSA-N 322.771 2.902 50 50 DFGA N#Cc1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1 486438 OUWITZVDIATKDX-VXLYETTFSA-N 313.744 2.741 50 50 DFGA CC(=O)N/N=C/c1ccccc1OCCOc1cccc(C)c1 2971140 KWYSSZHNSYVZDK-CPNJWEJPSA-N 312.369 2.923 50 50 DFGA COc1ccccc1NCC(=O)N/N=C(\C)c1ccc(C)cc1 5740272 BHTXRZNAYWYUHW-XSFVSMFZSA-N 311.385 2.956 50 50 DFGA CCOc1ccccc1/C=N/NC(=O)c1cc(-c2ccco2)n[nH]1 8837101 KRTGNTNAQXVPPF-WOJGMQOQSA-N 324.340 2.832 50 50 DFGA COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2O)cc1 273732 PKEYPICBZYWYBC-RQZCQDPDSA-N 304.733 2.818 50 50 DFGA O=C(CCl)N(Cc1cc(F)ccc1F)CC1CCOCC1 1875375492 CHLLTMHCHPOIOW-UHFFFAOYSA-N 317.763 2.959 50 50 DFGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1c[nH]c2ccccc12 284775 FLGRHQXGQDMOBN-INIZCTEOSA-N 305.337 2.983 50 50 DFGA C[C@H]1CCc2c(C(=O)N/N=C/c3cccn3C)csc2C1 2735728 SGAPDHYAZLUWDR-DTQASYIRSA-N 301.415 2.975 50 50 DFGA Cc1nn(C)c(NNC(=O)[C@H]2CC[C@H](C(C)C)CC2)c1C#N 1875344506 GAWQXQBLRGMONR-JOCQHMNTSA-N 303.410 2.506 50 50 DFGA C[C@H](Cl)C(=O)N1C[C@H](C2CCCC2)O[C@@H](C(F)(F)F)C1 1875376264 QMCYXRLBUCMBDL-JMJZKYOTSA-N 313.747 2.962 50 50 DFGA Cc1nn(C)c(NNC(=O)c2ccc3ccccc3c2)c1C#N 1875349923 STFTYHLVYQWPBY-UHFFFAOYSA-N 305.341 2.510 50 50 DFGA O=C(/C=C/c1ccccc1)NNC(=O)c1cccc(Cl)c1 299633 OPNCFIDKNZXPFS-MDZDMXLPSA-N 300.745 2.814 50 50 DFGA aggregator CCc1n[nH]c2c1[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 5095151 BEKLSNJNLLWANK-NSHDSACASA-N 318.739 2.983 50 50 DFGA COc1ccccc1/C=N/NC(=O)Cc1c[nH]c2ccccc12 43761350 VMTMBUMGDUNDKU-UDWIEESQSA-N 307.353 2.869 50 50 DFGA O=C(CN1CCCC1)NN=C(c1ccccc1)c1ccccc1 5772570 KPJSGSSEDJHIOL-UHFFFAOYSA-N 307.397 2.651 50 50 DFGA O=C(NCc1nccn1CCc1ccccc1)C1CC(Cl)C1 585122247 SQRJIVBLNSAVIN-UHFFFAOYSA-N 317.820 2.759 50 50 DFGA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(N)=O)cc1 435261 UGWGNDLGNJAXAD-RGVLZGJSSA-N 319.368 2.850 50 50 DFGA Cc1c(C(=O)Cl)nnn1Cc1ccc(Br)cc1 12336644 WJTPCRNWEURSCS-UHFFFAOYSA-N 314.570 2.776 50 50 DFGA O=C(NNC(=O)OCc1ccccc1)OCc1ccccc1 1666784 UEYMRBONTZTXQP-UHFFFAOYSA-N 300.314 2.754 50 50 DFGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1c[nH]c2ccccc12 2748986 WNVWYGRIDDYBSN-RGVLZGJSSA-N 320.352 2.565 50 50 DFGA CC1=NN=C(O)[C@@H]1CC(=O)N/N=C/c1ccc(C(C)C)cc1 9359144 QZYSYAFZVXKDJV-IREQLNLFSA-N 300.362 2.612 50 50 DFGA C/C(=N\NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(N)cc1 23095849 XFFJDZFKVIMHBJ-UDWIEESQSA-N 319.368 2.813 50 50 DFGA CC(=O)Nc1ccc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1 230069 JSVKAFXQKQRSNS-QGZVFWFLSA-N 321.336 2.569 50 50 DFGA O=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccccc1O 54061424 NZSVQKHLRHRKKI-UHFFFAOYSA-N 323.396 2.774 50 50 DFGA O=C(NNc1nccnc1Cl)[C@H]1C[C@H]1c1c(F)cccc1F 116452448 HWMZRSXMLBEGJO-SFYZADRCSA-N 324.718 2.655 50 50 DFGA NC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 4283549 CFZKYLHRJSQARU-GIJQJNRQSA-N 303.749 2.921 50 50 DFGA FC(F)(F)C1(C(F)(F)F)[C@H]2C[C@H]3[C@@H]([C@H]2Br)[N@@]31 1857524889 XKUBBXCEJQOOTG-GEODADPWSA-N 310.035 2.700 50 50 DFGA CC[C@H](NC(=O)[C@H](C)Cl)[C@H](c1ccc(C)cc1)n1cncn1 1875378179 WRKVJIDOVGXWJM-QEJZJMRPSA-N 320.824 2.698 50 50 DFGA C[C@H](CCc1ccccc1)NS(=O)(=O)C1(CCl)CC1 1775989116 DQRQKIYBSMAINO-GFCCVEGCSA-N 301.839 2.699 50 50 DFGA COCc1n[nH]c2c1[C@@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 4631556 INLGIXHZRUIMRA-HNNXBMFYSA-N 324.384 2.898 50 50 DFGA N#CC1=C(N)Oc2[nH]nc(C(F)(F)F)c2[C@@H]1c1ccccc1F 76397 WDELOGMHPNKYBN-SECBINFHSA-N 324.237 2.786 50 50 DFGA COc1ccc(/C(C)=N/NC(=O)c2ccccc2O)cc1OC 4990033 HPHVVBXSDSSZPP-WOJGMQOQSA-N 314.341 2.563 50 50 DFGA C[C@H](Cl)C(=O)NCc1nnc(-c2ccc(Cl)cc2)o1 1875364124 FDUINKWPWVMRCJ-ZETCQYMHSA-N 300.145 2.634 50 50 DFGA CC1(C)[C@H](Cl)C(=O)C(C(=O)c2ccccc2)C(=O)[C@H]1Cl 100319455 NZERTSNECSBYNG-ZIAGYGMSSA-N 313.180 2.878 50 50 DFGA Cc1sc(NC(=O)c2ccc(Cl)cc2)c(C(=O)NN)c1C 365797 OAORPUMYFSEYJN-UHFFFAOYSA-N 323.805 2.874 50 50 DFGA O=C(N/N=C/c1ccc(O)c(Br)c1)c1ccccc1 438073 LFGOAGUFBVRVMI-CXUHLZMHSA-N 319.158 2.919 50 50 DFGA O=C(NNC(=O)c1ccc(Cl)cc1O)Nc1cccc(F)c1 2852764 QWFZUTXHHKDBQR-UHFFFAOYSA-N 323.711 2.651 50 50 DFGA O=C(COc1ccccc1Cl)N/N=C/c1cccc(O)c1 567294 QNIJIUHLQSQSCZ-RQZCQDPDSA-N 304.733 2.575 50 50 DFGA Cc1ccc(-c2cc(C(=O)N/N=C/c3cccc(O)c3)[nH]n2)cc1 435395 TUTACTLUOAAGAK-YBFXNURJSA-N 320.352 2.855 50 50 DFGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccoc1 62510 PLQVJRYIQCTCKW-CYBMUJFWSA-N 306.277 2.604 50 50 DFGA O=C(CSc1ccc(Cl)cc1)N/N=C/c1cccnc1 41251 UUYSRSHGKWBVBM-RQZCQDPDSA-N 305.790 2.977 50 50 DFGA CN(C)c1ccc(/C=N/NC(=O)Cc2c[nH]c3ccccc23)cc1 238929 VJZXWDOUNDVADW-CIAFOILYSA-N 320.396 2.927 50 50 DFGA O=C(CCl)N(Cc1cc(Cl)cs1)[C@@H]1CCC[C@H]1O 1875382921 XHGIUMGNCWRETB-GHMZBOCLSA-N 308.230 2.882 50 50 DFGA Cc1ccc(C(=O)NNC(=O)c2ccc3ccccc3c2O)cc1 446322 JUWDHEIGQWQVLQ-UHFFFAOYSA-N 320.348 2.929 50 50 DFGA Cc1occc1C(=O)NNC(=O)c1ccc(Cl)cc1Cl 525009 AOKLTQIRQYSKSC-UHFFFAOYSA-N 313.140 2.970 50 50 DFGA COc1cc(/C=N/NC(=O)[C@H]2C[C@H]2c2ccccc2)ccc1O 4186760 UZOZETKZPHEYDM-WTQAEKLLSA-N 310.353 2.655 50 50 DFGA N#CC(C#N)=Cc1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)o1 2766497 FFCUTJDPJAYZSQ-UHFFFAOYSA-N 303.665 2.517 50 50 DFGA COc1ccc(-c2n[nH]cc2/C=N\NC(=O)c2ccoc2C)cc1 5593745 DEWFYEXIVCVOTJ-GRSHGNNSSA-N 324.340 2.751 50 50 DFGA Cc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1 186489 QGIHCFFPYPHCTL-RQZCQDPDSA-N 314.414 2.644 50 50 DFGA C[C@@H](Cn1cnc2ccccc21)C(=O)N/N=C/c1cccc(O)c1 529446 QSUQUNIJSJAWSK-NPNVKNKFSA-N 322.368 2.528 50 50 DFGA CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1ccccc1 494736 FJFBASUSZUJUFD-CYBMUJFWSA-N 318.760 2.550 50 50 DFGA C[C@H](Cl)C(=O)N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1875380155 GOIQCZLKIBDSGW-VHSXEESVSA-N 316.854 2.968 50 50 DFGA C[C@@H](Cl)C(=O)N[C@](C)(CO)c1cccc(C(F)(F)F)c1 1875377477 FJZBGFSXORVOGR-PRHODGIISA-N 309.715 2.656 50 50 DFGA CO[Si](CCCSC(=S)SCC#N)(OC)OC 170175863 NGRLZFIXIPQVRW-UHFFFAOYSA-N 311.526 2.529 50 50 DFGA O=C(NN=Cc1ccc2c(c1)CCC2)c1ccccc1[N+](=O)[O-] 254134893 SKWWONMDYXCJLZ-UHFFFAOYSA-N 309.325 2.847 50 50 DFGA O=C(N/N=C/c1ccc(Cl)cc1)c1[nH]nc2c1CCCC2 1305276 CJGJXFCLDYQBFQ-RQZCQDPDSA-N 302.765 2.706 50 50 DFGA CC(C)(C)OC(=O)NNC(=O)NC12CC3CC(CC(C3)C1)C2 5060970 FAMLYHPOYITIKS-UHFFFAOYSA-N 309.410 2.694 50 50 DFGA NC(=S)NNC(=O)Nc1cc(Cl)c(Cl)cc1Cl 2167212 FBFIKGKRMKXHSF-UHFFFAOYSA-N 313.597 2.517 50 50 DFGA C[C@H](Oc1ccc(C#N)cc1)C(=O)N/N=C/C=C/c1ccco1 2101544 IKDYWVLZTONTHL-YIVWXJCQSA-N 309.325 2.734 50 50 DFGA CC(C)OC(=O)c1c(NC(=O)CCl)sc2c1CCC2 4652513 PTUQFOSBGAMXCG-UHFFFAOYSA-N 301.795 2.979 50 50 DFGA Cc1ccc(Cl)cc1NC(=S)NNC(=O)c1ccco1 17032048 FVYNLTXJXWIZIP-UHFFFAOYSA-N 309.778 2.873 50 50 DFGA O=C1[C@H]2[C@H]3C[C@H](Br)[C@@H]4[C@H]3C[C@@H]2[C@H]4[C@H]1Br 245267372 LLBLSJMPYGDIAH-CLDWMYACSA-N 320.024 2.614 50 50 DFGA O=C(N/N=C/c1cccc2cccnc12)c1cccc([N+](=O)[O-])c1 434749 BCDFTDNCRNSEAC-YBFXNURJSA-N 320.308 2.907 50 50 DFGA COc1ccccc1/C=N/NC(=O)c1cc(-c2ccccc2)n[nH]1 9178329 SVWQYIOTYXWVMU-XDHOZWIPSA-N 320.352 2.849 50 50 DFGA O=C(NNc1nccnc1Cl)[C@@H]1C[C@H]1c1c(F)cccc1F 116452451 HWMZRSXMLBEGJO-HTQZYQBOSA-N 324.718 2.655 50 50 DFGA CCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 34899 WIZKOHHUOYCSGJ-INIZCTEOSA-N 310.353 2.900 50 50 DFGA N#C/C(=C\c1cc(Br)ccc1F)C(=O)NC1CC1 7164114 YMWAQJAZGIDOCI-WEVVVXLNSA-N 309.138 2.774 50 50 DFGA O=C(NNC(=S)Nc1ccccc1)c1ccc(Cl)cc1 122258 JHNYJPGYEVHLSH-UHFFFAOYSA-N 305.790 2.971 50 50 DFGA Nc1ccccc1[C@H](Br)[C@@H](Br)C(=O)O 2168007 VWWKTRTXXRLZHM-JGVFFNPUSA-N 322.984 2.553 50 50 DFGA C[C@@H]1CN(Cc2cccc(Cl)c2)CCN1C(=O)CCl 1875387210 UIWDEDSTMCQHLB-LLVKDONJSA-N 301.217 2.612 50 50 DFGA COc1ccc(/C=N/NC(=O)Cc2c[nH]c3ccccc23)cc1 291300 JSNTXVQRHLNDPT-RGVLZGJSSA-N 307.353 2.869 50 50 DFGA COc1ccc(CC(=O)N/N=C(\C)c2cccs2)cc1OC 5009691 ARBBVCQWBRQREI-GZTJUZNOSA-N 318.398 2.848 50 50 DFGA COc1cc(/C(C)=N/NC(=O)Cc2cccs2)ccc1O 19798593 ZLVSHZRLDKJZAS-MHWRWJLKSA-N 304.371 2.545 50 50 DFGA FC1(F)OC(F)(F)[C@@H](Br)[C@H]1Br 97950161 RQODRKYKKNAJAA-XIXRPRMCSA-N 301.859 2.729 50 50 DFGA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NN=C1CCCCC1 4372876 UEJKWZQNJYENMY-NSHDSACASA-N 305.334 2.798 50 50 DFGA COc1cc(Cl)c(NC(=O)CBr)c(OC)c1 584904510 QSYUGRKHMSRGHW-UHFFFAOYSA-N 308.559 2.691 50 50 DFGA COc1ccc(/C=N/NC(=O)C2CCCCC2)c(OC)c1OC 8344131 USJUARAERCOAON-WOJGMQOQSA-N 320.389 2.743 50 50 DFGA Cc1ccc(NC(=O)C(=O)N/N=C/c2cccs2)cc1Cl 4259273 RSJYMZRGFGALEE-LZYBPNLTSA-N 321.789 2.799 50 50 DFGA C[C@](Br)([C@@H](Br)C(=O)O)C(F)(F)F 16082637 VXYLFCNIZVCLAV-OKKQSCSOSA-N 313.895 2.550 50 50 DFGA CCc1n[nH]c(C(=O)N/N=C/c2c(C)[nH]c3ccccc23)c1C 5353608 JSSVYIHZKLJTDB-GIJQJNRQSA-N 309.373 2.834 50 50 DFGA C[C@@H](Cl)C(=O)NC[C@H](N(C)Cc1ccccc1)C(F)(F)F 1875380255 JZAWDFOCVXQATD-PWSUYJOCSA-N 322.758 2.793 50 50 DFGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1Cl 2566315 XQDQVDVUJJSABQ-VCHYOVAHSA-N 315.760 2.737 50 50 DFGA COc1cc(/C=N/NC(=O)C2CCCCC2)cc(OC)c1OC 510967 SZOKEHWVSGYATR-WOJGMQOQSA-N 320.389 2.743 50 50 DFGA CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccco2)C(C#N)=C(N)O1 52569 VXFARAZVLZDNEG-CYBMUJFWSA-N 302.330 2.703 50 50 DFGA O=C(N/N=C/c1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1 2892265 RSNHQXNVXTZOFX-GIJQJNRQSA-N 319.723 2.568 50 50 DFGA O=C(NNC(=S)Nc1ccccc1)c1ccc2ncccc2c1 1390567 JBDAAROPVYESPG-UHFFFAOYSA-N 322.393 2.866 50 50 DFGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(F)cc3)[nH]n2)o1 8574893 LOSCRGHZFGJZDU-GIJQJNRQSA-N 312.304 2.881 50 50 DFGA COc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2)c1O 4366387 INRMSJMPYKFCBK-RQZCQDPDSA-N 304.733 2.818 50 50 DFGA Cc1noc(CNC(=O)CCCC[C@H]2CCSS2)n1 729329653 XLHVKSRUTFYASB-JTQLQIEISA-N 301.437 2.708 50 50 DFGA N#C/C(=C\c1ccc2nc(O)[nH]c2c1)c1nnc2n1CCCCC2 585135986 LBHXBPNYAOQOTE-XYOKQWHBSA-N 320.356 2.651 50 50 DFGA Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(Cl)c2)c1 4259118 FVYSWANAPMILOX-VCHYOVAHSA-N 315.760 2.737 50 50 DFGA C/C(=N\NC(=O)c1cc(-c2ccco2)n[nH]1)c1cccs1 5403068 BDVZTTNUCMEVLP-OQLLNIDSSA-N 300.343 2.885 50 50 DFGA C/C(=N\NC(=O)c1ccc2c(c1)OCO2)[C@@H]1C[C@H]2CC[C@H]1C2 105213395 VJIXRXXKKDRDGL-YCPGGEESSA-N 300.358 2.957 50 50 DFGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](CC(C)C)[C@@H]2C1 6264857 BQJWPHSTVIRLBX-SJORKVTESA-N 323.444 2.700 50 50 DFGA CC(C)(C)c1cc(C(=O)N/N=C/c2cc(Cl)ccc2O)[nH]n1 6493052 CYMKAGUHEKXRNG-CAOOACKPSA-N 320.780 2.830 50 50 DFGA O=C(NNc1cccc(C(F)(F)F)n1)c1ccc2c(c1)CCO2 155846242 OTGMKZHMDJNMMA-UHFFFAOYSA-N 323.274 2.792 50 50 DFGA COc1cc(/C=N/NC(=O)[C@@H]2C[C@@H]2c2ccccc2)ccc1O 4186757 UZOZETKZPHEYDM-ACIMENLPSA-N 310.353 2.655 50 50 DFGA C/C(=N\NC(=O)COc1ccccc1Cl)c1cccnc1 8181882 BMCCTSWYSGBMQZ-WOJGMQOQSA-N 303.749 2.654 50 50 DFGA [N-]=[N+]=CC(=O)[C@@](O)(c1ccccc1)[C@H](Cl)c1ccccc1 4085764 YROIZDMVYRRHKA-CVEARBPZSA-N 300.745 2.724 50 50 DFGA CC(C)c1ccc(NC(=S)NNC(=O)C2CCOCC2)cc1 252499866 SHBPYEQTCWHGPW-UHFFFAOYSA-N 321.446 2.554 50 50 DFGA COc1ccccc1C(=O)NNC(=O)Nc1ccccc1Cl 2167146 WETNLUOGTSWGIA-UHFFFAOYSA-N 319.748 2.815 50 50 DFGA COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1O 12374239 ZUGIBAVSULADJQ-DHDCSXOGSA-N 308.337 2.624 50 50 DFGA O=C(N/N=C/c1cc(Br)ccc1O)c1ccco1 381265 IWTNGIYGYJMPHA-VGOFMYFVSA-N 309.119 2.512 50 50 DFGA CC(=O)Oc1cc(CCBr)c(OC(C)=O)cc1C 2165897 GVAAWUMRVRHIKG-UHFFFAOYSA-N 315.163 2.783 50 50 DFGA COc1cccc([C@H]2C(=O)OC(=O)[C@@H]2c2ccccc2)c1OC 100660316 JLYAXHWUYMTISX-HUUCEWRRSA-N 312.321 2.655 50 50 DFGA O=C(COc1cccc(Cl)c1)N/N=C/c1ccccc1O 248975 AGULWTIPPKRMIT-RQZCQDPDSA-N 304.733 2.575 50 50 DFGA O=C(CSc1ccc(Cl)cc1)NNC(=O)c1ccccc1 3603900 YKQSHHDIKRJLIH-UHFFFAOYSA-N 320.801 2.893 50 50 DFGA O=C(N/N=C\c1cc([N+](=O)[O-])ccc1O)c1cccc2cc[nH]c12 4964852 XRLYSOSWDPXXAX-NVMNQCDNSA-N 324.296 2.546 50 50 DFGA CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C(=O)CCl 1875374908 JIGNJQGYJJDAGV-YIONKMFJSA-N 320.820 2.519 50 50 DFGA O=C(CCl)N1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 1875387143 QTUTYCLSGSFLSK-UHFFFAOYSA-N 321.635 2.876 50 50 DFGA O=C(CBr)c1ccc(I)cc1 1730978 FSIBMLJFLPWMTD-UHFFFAOYSA-N 324.943 2.869 50 50 DFGA CC(C)c1nnc([C@@H]2CC23CCN(C(=O)[C@@H](C)Cl)CC3)o1 1875363543 IMSXDZQWDAWTEY-MNOVXSKESA-N 311.813 2.916 50 50 DFGA Cc1cc(CN(Cc2ccn(C)n2)C(=O)CCl)ccc1F 1875375765 HYGFCZFZCLUTFK-UHFFFAOYSA-N 309.772 2.635 50 50 DFGA O=C(Cc1ccccc1)N/N=C/c1ccc(OC(F)F)cc1 370992 WAJGYMZUESUUOS-YBFXNURJSA-N 304.296 2.981 50 50 DFGA C[C@@]12[C@H]3[C@@H]4C[C@@H]5[C@H]([C@H]4[C@H]1Br)[C@@H]2[C@@H](C1OCCO1)[C@H]53 257346595 VJSDVKZQZQTYPX-UNCWPWAISA-N 311.219 2.517 50 50 DFGA N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(N)=O 305027 DNSXBWXXEDPVLN-VMPITWQZSA-N 317.688 2.900 50 50 DFGA COc1ccc(/C=N/NC(=O)COc2cc(C)ccc2C)cc1 566327 NNVCEVNYEUJSLU-YBFXNURJSA-N 312.369 2.841 50 50 DFGA O=C(N/N=C/c1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1 3151051 HBLXJTZMCJXIAO-GIJQJNRQSA-N 319.723 2.568 50 50 DFGA O=C(O)CCSSCCNC(=O)CCc1ccccc1 1875388907 VBWQESUPFSAYNV-UHFFFAOYSA-N 313.444 2.592 50 50 DFGA CCOc1ccccc1NC(=O)c1ccc2c(c1)C(=O)OC2=O 101019474 NTAAHIWTIAPWIL-UHFFFAOYSA-N 311.293 2.648 50 50 DFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(F)ccc1F 84198 BMTCSDBHFWSQTF-CQSZACIVSA-N 320.295 2.610 50 50 DFGA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(N)=O)o1 3187962 YJSGLCADXSMIDB-UKTHLTGXSA-N 318.336 2.833 50 50 DFGA C[C@@H](Cn1cnc2ccccc21)C(=O)N/N=C/c1cccs1 5570323 LHWSKCNYUCIFIF-BEAUZRKQSA-N 312.398 2.884 50 50 DFGA COc1ccc(C(=O)NNC(=O)c2cccc3ccccc23)cc1 321025 MTZHJEBRPLTJNT-UHFFFAOYSA-N 320.348 2.923 50 50 DFGA Cc1occc1C(=O)NNC(=O)COc1cccc2ccccc12 580743 WHXYPLBENRMNTD-UHFFFAOYSA-N 324.336 2.581 50 50 DFGA Cn1cc(C(=O)N/N=C/c2ccc3c(c2)OCO3)c2ccccc21 550451 WYBLYTUBVUIQDG-DJKKODMXSA-N 321.336 2.671 50 50 DFGA CC(C)(C)OC(=O)N/N=C(\N)c1ccc(OC(F)(F)F)cc1 43769285 UXPUVEIMTUSMPK-UHFFFAOYSA-N 319.283 2.730 50 50 DFGA O=C(N/N=C/c1ccco1)C(=O)Nc1cccc2ccccc12 2571824 UTZPMPVEFPROFN-WOJGMQOQSA-N 307.309 2.522 50 50 DFGA Cn1cnc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 585079755 IUNDBACFQFUBEW-BJMVGYQFSA-N 320.274 2.985 50 50 DFGA OB(O)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1 169744904 KLGQJKOCSXZOBV-UHFFFAOYSA-N 317.197 2.573 50 50 DFGA in-vitro NNC(=O)c1ccc(OCc2cccc(Br)c2)cc1 2839156 XWECPMNXOCBNEO-UHFFFAOYSA-N 321.174 2.632 50 50 DFGA CC1(C)O[C@@H]2O[C@H](CCO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O1 169835018 CLBRXTGYUZGJAJ-XQHKEYJVSA-N 318.486 2.636 50 50 DFGA CCCCNC(=S)NNC(=O)c1csc2c1CCCC2 2760769 BAEPKYDXNUQSRO-UHFFFAOYSA-N 311.476 2.536 50 50 DFGA C[C@@H](Cl)C(=O)NCC[C@](O)(c1ccccc1)C(F)(F)F 1875364440 QRJHEOUQRQTKII-SKDRFNHKSA-N 309.715 2.570 50 50 DFGA Cc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)o1 2870239 ZBBONLHGRSXJHK-CAOOACKPSA-N 319.748 2.639 50 50 DFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1 36189 BZLJSLREZDBQBR-AWEZNQCLSA-N 318.760 2.985 50 50 DFGA COC(=O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 252679768 QWIOQKLXOSPCHH-UHFFFAOYSA-N 319.273 2.553 50 50 DFGA C[C@H](Cl)C(=O)NCC[C@@](O)(c1ccccc1)C(F)(F)F 1875364438 QRJHEOUQRQTKII-JOYOIKCWSA-N 309.715 2.570 50 50 DFGA COc1ccc(/C(C)=N/NC(=O)c2cc(C(C)C)n[nH]2)cc1 5324850 MQIHUZJJDHFSGF-GZTJUZNOSA-N 300.362 2.696 50 50 DFGA COc1ccc(C(=O)NN=Cc2cc(Cl)ccc2O)cc1 254403415 MHRJHEHPEYZJAR-UHFFFAOYSA-N 304.733 2.818 50 50 DFGA O=C(NNC(=S)NC1CCCCC1)c1ccc(Cl)s1 609237 VUEZHYGLTVMWDT-UHFFFAOYSA-N 317.867 2.843 50 50 DFGA N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)S(N)(=O)=O 225552830 UHRASAWEWCDFGW-KPKJPENVSA-N 308.746 2.753 50 50 DFGA C[C@H](Cl)C(=O)N[C@@]1(Cc2cccc(Cl)c2)CCOC1 1875378184 WUGYVTWNAMTQBT-IINYFYTJSA-N 302.201 2.785 50 50 DFGA COCc1noc([C@@]2(c3ccccc3)C[C@@H]2Br)n1 1775993876 WSWSJKPQAKQFMZ-GXFFZTMASA-N 309.163 2.669 50 50 DFGA C[C@@H](Cn1nc(C(F)(F)F)cc1C1CC1)NC(=O)CCl 1875389866 AVAMFAVGURNSAR-ZETCQYMHSA-N 309.719 2.523 50 50 DFGA C[C@H]1CN(C(=O)c2ccc(NC(=O)[C@@H](C)Cl)cc2)C[C@@H](C)O1 1875364266 KFRQOUZNMFFZBW-GRYCIOLGSA-N 324.808 2.502 50 50 DFGA Cc1ccc(SCC(=O)NNC(=O)c2cccs2)cc1 615781 RFPHWEFQPXLUGE-UHFFFAOYSA-N 306.412 2.610 50 50 DFGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(C)o3)n[nH]2)c1 9088874 CBAWYDPLABRUCI-VCHYOVAHSA-N 324.340 2.751 50 50 DFGA CC(C)(C)OC(=O)[C@H](Br)CCBr 2584413 IELBUWARMJVXDU-ZCFIWIBFSA-N 302.006 2.877 50 50 DFGA in-vitro Cc1cc2c(c(=O)o1)[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 59263 WAEHAKFKBYBLNN-CYBMUJFWSA-N 314.728 2.820 50 50 DFGA COc1cc(OC)c2cc(CCCNC(=O)[C@H](C)Cl)[nH]c2c1 1875364605 XXHVAAXAQPSFCR-JTQLQIEISA-N 324.808 2.861 50 50 DFGA O=C(CCl)N(Cc1ccccc1O)Cc1ccccc1O 1875376846 KLKWHYKDZJQRCZ-UHFFFAOYSA-N 305.761 2.865 50 50 DFGA CCOc1cc(/C=N/NC(=O)c2cc(C)oc2C)ccc1O 228343 AGTZATGKYJZXRD-RQZCQDPDSA-N 302.330 2.765 50 50 DFGA N#C/C(=C\c1ccc(O)c(O)c1)C(=O)OCCc1cccs1 12514 KCGLTUBCAGZLHP-XYOKQWHBSA-N 315.350 2.852 50 50 DFGA in-vitro CC[C@@H](NC(=O)CCl)C(=O)N[C@H](C)c1ccc(Cl)s1 1875383722 DKIBXYDMMKHKLV-HTQZYQBOSA-N 323.245 2.712 50 50 DFGA O=C1Oc2ccccc2[C@H](Br)[C@@H]1Br 100039583 KJKAAETZDLJFKU-YUMQZZPRSA-N 305.953 2.805 50 50 DFGA Cc1cc(C)nc(SCC(=O)N/N=C/c2sccc2C)n1 72655 ACCYXZRLZXXUDX-VIZOYTHASA-N 320.443 2.706 50 50 DFGA CC1(C)O[C@H]2O[C@H](CCO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O1 169837098 CLBRXTGYUZGJAJ-FDYHWXHSSA-N 318.486 2.636 50 50 DFGA CCc1ccc([C@H]2C(C#N)=C(N)OC(C)=C2C(=O)OC)s1 43737 TXCUWKTZYBDCJI-CYBMUJFWSA-N 304.371 2.565 50 50 DFGA CC(=O)N1CCCN(Cc2ccc(OCCCCl)cc2)CC1 225513478 FAOKOAZSHRCVIC-UHFFFAOYSA-N 324.852 2.749 50 50 DFGA CCN(CC)CCn1c(NC(=O)CCl)nc2ccccc21 22340123 POSGMAREULSEJS-UHFFFAOYSA-N 308.813 2.555 50 50 DFGA Cc1ccc(-c2cc(C(=O)N/N=C/c3cccs3)[nH]n2)o1 5687246 PVVSLQXZMCHWMV-OVCLIPMQSA-N 300.343 2.804 50 50 DFGA O=C(N/N=C/c1c(F)cccc1Cl)c1cc(C2CC2)n[nH]1 15994373 WFWZOWHFCSUXSY-REZTVBANSA-N 306.728 2.844 50 50 DFGA C[C@@H](Cl)C(=O)N[C@@](C)(CO)c1cccc(C(F)(F)F)c1 1875377476 FJZBGFSXORVOGR-PELKAZGASA-N 309.715 2.656 50 50 DFGA CC(C)(C)NC(=O)CCSSCCC(=O)NC(C)(C)C 96320643 FGHXJLYDXDNXDW-UHFFFAOYSA-N 320.524 2.977 50 50 DFGA N#CC1=C(N)SC(N)=C(C#N)C1c1cccc(C(F)(F)F)c1 495703 ZBXUNOIEPSKOFK-UHFFFAOYSA-N 322.315 2.924 50 50 DFGA C/C(=N\NC(=O)c1cc(-c2ccccc2)[nH]n1)c1ccc(O)cc1 39942853 CZQFENGTIQTURN-XDHOZWIPSA-N 320.352 2.936 50 50 DFGA CCOC(=O)[C@H](C)P(=O)(c1ccccc1)c1ccccc1 296817 FEJDPJNKKUROSE-AWEZNQCLSA-N 302.310 2.952 50 50 DFGA Cc1ccc(C(=O)NNC(=O)c2ccccc2-n2cccc2)cc1 1394336 VTBZRRWYRWPFGT-UHFFFAOYSA-N 319.364 2.861 50 50 DFGA N#Cc1ccccc1OCC(=O)N/N=C/c1cccc(Cl)c1 289374 NNUDWGORRRVRRW-VXLYETTFSA-N 313.744 2.741 50 50 DFGA Cc1ccccc1CNC(=O)/C(C#N)=C/c1ccn(C(C)C)n1 1875280249 JAZZQQJCMBBCTN-MHWRWJLKSA-N 308.385 2.996 50 50 DFGA COC(=O)c1ccc(NC(=O)ON=C(Cl)CCl)cc1 245325194 CXTVADJKWLVZLP-UHFFFAOYSA-N 305.117 2.813 50 50 DFGA C[C@@H](Cn1cnc2ccccc21)C(=O)N/N=C/c1ccccc1 552644 VNEMAAGSVHFNQW-HXJASHHUSA-N 306.369 2.823 50 50 DFGA COc1cc(OC)c(/C=N/NC(=O)c2cccs2)c(OC)c1 232482 HMFDFROWGRWJOL-CXUHLZMHSA-N 320.370 2.538 50 50 DFGA C/C(=N\NC(=O)COc1ccccc1Cl)c1ccccn1 8181880 VBLRNAPHVCIWMQ-WOJGMQOQSA-N 303.749 2.654 50 50 DFGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccco1 77752 GQXPDPIOHVFOFN-CYBMUJFWSA-N 306.277 2.604 50 50 DFGA Cc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)c(O)c1 434876 WLNPEGVKUXXQPL-YBFXNURJSA-N 320.352 2.855 50 50 DFGA O=C(NNC(=S)Nc1ccccc1)c1ccccc1Cl 122205 FKXRHAYHYKFGNX-UHFFFAOYSA-N 305.790 2.971 50 50 DFGA CCCc1[nH]nc2c1[C@@H](c1c(F)cccc1F)C(C#N)=C(N)O2 67601726 CGOBLAGDAXBHPF-GFCCVEGCSA-N 316.311 2.859 50 50 DFGA C[C@H](Cl)C(=O)Nc1ccc(I)cc1 5662383 BHBRUZQSWNMSKJ-LURJTMIESA-N 309.534 2.857 50 50 DFGA CCCCOc1ccc(OCC(=O)N/N=C/c2ccco2)cc1 4372566 LGDSEFLDXWHMMA-LDADJPATSA-N 316.357 2.988 50 50 DFGA C[C@H](Cl)C(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 1875378037 UPJMYLFXEFNKHI-JQWIXIFHSA-N 304.781 2.763 50 50 DFGA Cc1cccc(C(=O)NCC(=O)N/N=C/C=C/c2ccccc2)c1 4210654 UIJJNPJLDASESL-JJJRJKGESA-N 321.380 2.540 50 50 DFGA CC(C)(C)OC(=O)N1CCC[C@@H](I)C1 40448406 JXEZFSNOYBRXFT-MRVPVSSYSA-N 311.163 2.821 50 50 DFGA in-vitro Cn1ccc(C(=O)N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)n1 585127968 NYKBFTYCICOELP-GFCCVEGCSA-N 309.486 2.656 50 50 DFGA N#CC1=C(N)Oc2[nH]nc(C(F)(F)F)c2[C@H]1c1ccccc1F 76404 WDELOGMHPNKYBN-VIFPVBQESA-N 324.237 2.786 50 50 DFGA CCC(=O)NNC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 3109258 LLEYNAHZNHISSX-INIZCTEOSA-N 308.381 2.550 50 50 DFGA Cc1cccc(NC(=S)NNC(=O)c2csc(C)c2)c1 8685073 CDVVPAZWOVIUFY-UHFFFAOYSA-N 305.428 2.996 50 50 DFGA CC(=O)Oc1ccc(/C(C)=N/NC(=O)c2cccs2)cc1 13939881 ZLFCXTMGSQBCOQ-MHWRWJLKSA-N 302.355 2.827 50 50 DFGA C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(F)cc1 2500871 SMMXGOOMDDOINT-HNNXBMFYSA-N 314.316 2.637 50 50 DFGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cccc(O)c1 88417 XKZTXDZEEIGENV-HNNXBMFYSA-N 310.353 2.843 50 50 DFGA COC(=O)c1ncc(Br)cc1CBr 95642720 CPWMCAMLRLHDAT-UHFFFAOYSA-N 308.957 2.526 50 50 DFGA in-vitro Cc1nc([C@@H](NC(=O)CCl)c2ccc(Cl)c(F)c2)no1 1875377667 KMUYXRGIQBSADG-NSHDSACASA-N 318.135 2.615 50 50 DFGA CC(C)C[C@H]1[C@@H]2CN(C(C)C)CC=C2C(C#N)=C(N)C1(C#N)C#N 34954507 CTXSUXDLHLQUJP-SJORKVTESA-N 323.444 2.699 50 50 DFGA CC1=C(C#N)[C@H](/C=N/OCc2ccc(Cl)cc2)CC(=O)N1 5305626 SOGBADBYQLNDFU-MEBUONCMSA-N 303.749 2.776 50 50 DFGA CN(C)c1ccc(/C=C/C=N/NC(=O)c2ccccc2O)cc1 2899083 ATSZBNYDNOTHJF-NRNUCHLISA-N 309.369 2.887 50 50 DFGA C/C(=N\NC(=O)NC(C)C)c1ccc(Br)s1 222049850 BXGJVVLJAHONHI-NTUHNPAUSA-N 304.213 2.942 50 50 DFGA CC(C)[Si](OC[C@H]1OC=C[C@@H](O)[C@@H]1O)(C(C)C)C(C)C 169744769 VYZHAYQIZWKLNP-KFWWJZLASA-N 302.487 2.813 50 50 DFGA in-vitro C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 245227005 VWLWWWJEAAZRFM-VQXPOJFPSA-N 301.346 2.871 50 50 DFGA C=CCOC(=O)[C@H](CCl)Cn1c(=O)sc2ccccc21 5495016 RHVYLDZQYCCJKJ-SNVBAGLBSA-N 311.790 2.647 50 50 DFGA Cc1c(-c2ccccc2)n[nH]c1C(=O)N/N=C/c1cccc(O)c1 9353424 SQNSXSLVDRUHPI-YBFXNURJSA-N 320.352 2.855 50 50 DFGA CN(C)c1cccc(C(=O)N/N=C/c2ccc(O)c(Cl)c2)c1 1875264399 JUTNJNRSUWUILM-VCHYOVAHSA-N 317.776 2.876 50 50 DFGA Cc1cccc(NC(=S)NNC(=O)c2sccc2C)c1 13468988 ZTZTXMLOOTWCGG-UHFFFAOYSA-N 305.428 2.996 50 50 DFGA O=C(N/N=C/c1ccccc1O)NC12CC3CC(CC(C3)C1)C2 3898755 YWZOQMLBHONNMH-YBFXNURJSA-N 313.401 2.994 50 50 DFGA COc1ccccc1Nc1nc(N)nc([C@H](C)Br)n1 1442071 LHNVCYUUOQPVAB-ZETCQYMHSA-N 324.182 2.662 50 50 DFGA CCCCNC(=O)NN(C(=O)c1ccccc1N)C(C)(C)C 4054713 WRUNWKVHGUJYQN-UHFFFAOYSA-N 306.410 2.524 50 50 DFGA CC(C)[Si](OC[C@H]1OC=C[C@@H](O)[C@H]1O)(C(C)C)C(C)C 169838995 VYZHAYQIZWKLNP-RBSFLKMASA-N 302.487 2.813 50 50 DFGA in-vitro Cc1cccc(OCC(=O)N/N=C/c2ccc(N(C)C)cc2)c1 58706 PFVRSUIRLIOBGD-XDHOZWIPSA-N 311.385 2.590 50 50 DFGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccoc1 4494832 OIOBVIXDDNDDFA-CYBMUJFWSA-N 304.309 2.888 50 50 DFGA O=C(N/N=C/c1cccc(Br)c1)c1ccncc1 61591 LSYUIYJPXRDLRH-CXUHLZMHSA-N 304.147 2.608 50 50 DFGA N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@H]1c1ccco1 4014765 QWWLKDHKBJHNSI-LLVKDONJSA-N 310.338 2.949 50 50 DFGA CCc1n[nH]c2c1[C@@H](c1ccc(SC)cc1)C(C#N)=C(N)O2 350457 DYTOSEITYGKMPG-ZDUSSCGKSA-N 312.398 2.912 50 50 DFGA C[C@H]1CCC[C@@H](OCC(=O)NNc2cnc3ccccc3n2)C1 163554917 LGDLWIBJAAQRPQ-QWHCGFSZSA-N 314.389 2.668 50 50 DFGA NNC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 397593 CDBJMWYAIIVCNG-UHFFFAOYSA-N 304.737 2.588 50 50 DFGA O=C(O)[C@@H](Cl)C12C[C@@H]3C[C@H](C1)CC([C@@H](Cl)C(=O)O)(C3)C2 250662008 QHAWOQDUTATKSV-ZHVMKKQWSA-N 321.200 2.957 50 50 DFGA N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccs1)C(N)=O 7154591 VEXOKCUXYQXHKP-FMIVXFBMSA-N 320.377 2.993 50 50 DFGA O=C(CCl)Nc1cccc(N2C(=O)CC3(CCCC3)C2=O)c1 1875364711 RIMICFOHKMQTPA-UHFFFAOYSA-N 320.776 2.688 50 50 DFGA C[C@@H](Cl)C(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1875380322 LNPOQDDECPVIDR-RKDXNWHRSA-N 309.719 2.693 50 50 DFGA COc1ccc(/C=C(\C#N)c2ccccn2)c(OCC(=O)O)c1 584906923 FWURLDZOPLFUTK-MDWZMJQESA-N 310.309 2.618 50 50 DFGA CCN(C)NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 253417267 BELJUVDTYKRSKP-UHFFFAOYSA-N 312.373 2.927 50 50 DFGA C[C@H](Oc1ccccc1)C(=O)N/N=C1\C(O)=Nc2ccccc21 440797 GDQUODKGDZHXQU-NSHDSACASA-N 309.325 2.576 50 50 DFGA Cc1nnsc1C(=O)N/N=C/c1c(Cl)cccc1Cl 5792568 KWZNENJJTGGILW-LHHJGKSTSA-N 315.185 2.917 50 50 DFGA CC(C)(C)C(=O)NNC(=O)COc1ccc(Cl)cc1Cl 2024503 LESLOZLLVHPELU-UHFFFAOYSA-N 319.188 2.566 50 50 DFGA C/C(NCc1ccccc1)=C(\C#N)C(=O)NCc1ccccc1 5034083 YQYQTSWURHLJCT-SDXDJHTJSA-N 305.381 2.890 50 50 DFGA O=C(COc1ccc2ccccc2c1)N/N=C/c1cccnc1 500828 ZNGDZZJBXUENQJ-UDWIEESQSA-N 305.337 2.764 50 50 DFGA Cc1ccccc1OCC(=O)N/N=C1\CCOc2ccccc21 35653588 FKSJMESXQXCFPL-XDJHFCHBSA-N 310.353 2.677 50 50 DFGA C=CCOc1ccccc1/C=N/NC(=O)COc1ccccc1 3664175 UBKKRXGEALSRJA-CPNJWEJPSA-N 310.353 2.781 50 50 DFGA Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)o1 61416 VECGPYYDRAAGSV-CQSZACIVSA-N 320.304 2.913 50 50 DFGA biogenic,in-vitro C[C@@H](C(=O)Nc1cccc(NC(=O)NN(C)C)c1)C(C)(C)C 585087502 YLWABOPFDBSVAL-NSHDSACASA-N 306.410 2.905 50 50 DFGA C[C@H](Cl)C(=O)N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1875380154 GOIQCZLKIBDSGW-UWVGGRQHSA-N 316.854 2.968 50 50 DFGA C[C@H](Cl)C(=O)NC[C@@H](N(C)Cc1ccccc1)C(F)(F)F 1875380253 JZAWDFOCVXQATD-CMPLNLGQSA-N 322.758 2.793 50 50 DFGA C[C@H](Cl)C(=O)N1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F 1875380668 VSIHERGDXUJQAS-AUTRQRHGSA-N 321.726 2.967 50 50 DFGA CC(/C=C/c1ccc2c(c1)OCO2)=N\NC(=O)c1ccncc1 12343259 WXPVHXJUELQPNG-JJVAODBKSA-N 309.325 2.629 50 50 DFGA CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1 242407 BCJPONIDVFMQMH-QGZVFWFLSA-N 307.353 2.886 50 50 DFGA COC(=O)N[C@@H]1CCC=CCC[C@H]1I 5179799 PYBGGNVEOFVCKL-RKDXNWHRSA-N 309.147 2.645 50 50 DFGA C/C(=N/NC(=O)COc1cccc(Cl)c1)c1ccccc1O 16671006 HRVZSGRAURZBDW-WQRHYEAKSA-N 318.760 2.965 50 50 DFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(F)c(F)c1 84192 LMEQHFWLKDNSJC-CQSZACIVSA-N 320.295 2.610 50 50 DFGA Cc1ccccc1/C=N\NC(=O)c1cncc(Br)c1 22343368 UVBMHKKTPDAWKJ-IUXPMGMMSA-N 318.174 2.916 50 50 DFGA CCO[Si](OCC)(OCC)c1ccc(C(F)(F)F)cc1 170174243 PBTDWUVVCOLMFE-UHFFFAOYSA-N 308.372 2.961 50 50 DFGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2Cl)cc1 2571763 LYLDUEHXVNBCRZ-VCHYOVAHSA-N 315.760 2.737 50 50 DFGA C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(C(=O)[C@@H](C)Cl)C1 1875368000 HVNIJBVSHRBPLT-RBSFLKMASA-N 308.853 2.983 50 50 DFGA Cc1cc(C[C@H](C)NC(=O)[C@@H](C)Cl)n(-c2ccccc2)n1 1875363812 AVFCSEAPLZCGAB-WCQYABFASA-N 305.809 2.855 50 50 DFGA C[C@H](Cl)C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O 1875363565 JRLPUXUEYWLKOW-CABZTGNLSA-N 315.200 2.531 50 50 DFGA O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1[C@H]2CCCC[C@H]21 217444252 DHBMXVUKGKAHII-HGHNRWBYSA-N 316.445 2.786 50 50 DFGA NC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 2565210 WTFNUMCOSXYFIO-GIJQJNRQSA-N 317.732 2.561 50 50 DFGA CCCC1=C(C(=O)OCC)[C@H](c2cccnc2)C(C#N)=C(N)O1 183721 UGFCVHYLLKFAGX-CQSZACIVSA-N 313.357 2.507 50 50 DFGA C[C@](Br)([C@H](Br)C(=O)O)C(F)(F)F 8698413 VXYLFCNIZVCLAV-FONMRSAGSA-N 313.895 2.550 50 50 DFGA O=C(O)[C@H](Br)[C@@H](Br)c1ccccc1 1705960 FXJWTHBNVZNQQP-JGVFFNPUSA-N 307.969 2.971 50 50 DFGA biogenic,in-vitro O=C(CCn1cnc2ccccc21)N/N=C/c1ccc(F)cc1 8737873 LADPYTUIANZMAM-RGVLZGJSSA-N 310.332 2.716 50 50 DFGA Cc1ccc2[nH]c(C)c(CC(=O)N/N=C/c3cccnc3)c2c1 431593 SCFZVJLYHYFQIL-RGVLZGJSSA-N 306.369 2.873 50 50 DFGA C[C@H](Cl)C(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2 1875364135 JDUZQNCDNNZALX-ZETCQYMHSA-N 321.707 2.602 50 50 DFGA CCOC(=O)C(=O)[C@H](Br)c1cccc(Cl)c1 261506810 BEBUIQSJKJIYOY-SECBINFHSA-N 305.555 2.908 50 50 DFGA CC(C)(C)[Si](C)(C)O[C@H]1CCCN(CC(=O)N2CCC2)C1 408523131 HFPLVLXWFUVWPC-AWEZNQCLSA-N 312.530 2.705 50 50 DFGA COc1ccccc1/C=N/NC(=O)COc1ccccc1Cl 566404 OAUDEUTVIFUXCY-VCHYOVAHSA-N 318.760 2.878 50 50 DFGA COc1ccc(/C=N/NC(=O)c2sccc2C)c(OC)c1 370865 WRNGEOOKAUXZHU-CXUHLZMHSA-N 304.371 2.838 50 50 DFGA N#Cc1ccc(/C=N/NC(=O)Cc2c[nH]c3ccccc23)cc1 5776845 FTQSMFSLGYSEJT-SRZZPIQSSA-N 302.337 2.732 50 50 DFGA COc1ccc(C(=O)NN)cc1COc1ccccc1Cl 2568961 RUOQECAUVWEDQB-UHFFFAOYSA-N 306.749 2.531 50 50 DFGA O=C(Cc1csc(-c2ccccn2)n1)NCC(Cl)Cl 289066774 NEJKNTNKXIIJOC-UHFFFAOYSA-N 316.213 2.668 50 50 DFGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1cccs1 4282337 NSYFUYUSGNTSHI-LZYBPNLTSA-N 321.789 2.799 50 50 DFGA O=C(N/N=C\N1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 33683318 DOTRVAVJOPEJMA-PDGQHHTCSA-N 324.340 2.721 50 50 DFGA CCC[C@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)c1ccccc1 491081505 GNFAJKIKZKWZOR-RNIVLKNTSA-N 308.385 2.985 50 50 DFGA CC1(CI)CN(C(=O)OC(C)(C)C)C1 95743275 FJNDBFYSWUNCSC-UHFFFAOYSA-N 311.163 2.678 50 50 DFGA CC1(C)OC[C@H](NC(=O)C(Cl)Cl)[C@@H](c2ccccc2)O1 101357723 PTLGVCWSCPCPDZ-WDEREUQCSA-N 318.200 2.799 50 50 DFGA C[C@@H](SCc1ccccc1)C(=O)NN=C1CCN(C)CC1 55433867 FEKVHGCWWBBFBP-CYBMUJFWSA-N 305.447 2.506 50 50 DFGA N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@H]1c1cccnc1 13118283 AHECCLJHDMPPDZ-LBPRGKRZSA-N 321.365 2.751 50 50 DFGA O=C(N/N=C/c1cccc(Cl)c1Cl)c1n[nH]c2c1CCC2 4518162 CVIUXGQOSQYNSI-REZTVBANSA-N 323.183 2.969 50 50 DFGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3)[nH]n2)cc1 9043273 CLZKPOGOSIHMNW-XDHOZWIPSA-N 320.352 2.849 50 50 DFGA C/C(=N\NC(=O)c1cc(-c2cccs2)n[nH]1)c1ccncc1 12555386 KRLYIMOPFLLRPB-LICLKQGHSA-N 311.370 2.687 50 50 DFGA C[C@@H](Cl)C(=O)N1CCN(c2nccc3sccc23)CC1 1875377627 JALFTWDNYDEHKL-SNVBAGLBSA-N 309.822 2.572 50 50 DFGA N#CC1=C(N)Oc2[nH]nc(C(F)(F)F)c2[C@H]1c1ccccc1 76371 DOMGYXFDAVECBO-VIFPVBQESA-N 306.247 2.647 50 50 DFGA COC(=O)C1=C(C)NC(C)=C(C#N)[C@H]1c1cccc([N+](=O)[O-])c1 25559249 ORRQMVIRGUDEAK-OAHLLOKOSA-N 313.313 2.526 50 50 DFGA biogenic O=C(CSc1ccc2ccccc2n1)N/N=C/c1ccncc1 291361 LWTXIPYSFUCSMD-YBFXNURJSA-N 322.393 2.872 50 50 DFGA CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(F)cc2)cc1 13111551 NDNQUBBTLZEYQJ-RGVLZGJSSA-N 313.332 2.938 50 50 DFGA Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(Cl)c2)cc1 2911370 FLFQMUSNMUMZOU-VCHYOVAHSA-N 315.760 2.737 50 50 DFGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccn3)[nH]n2)s1 9089290 ROEAYORFHVWIHP-RQZCQDPDSA-N 311.370 2.606 50 50 DFGA Cc1cc(C(=O)N/N=C/c2ccc(O)cc2O)c2ccccc2n1 547855 YERMTLLUMZQJFF-VXLYETTFSA-N 321.336 2.718 50 50 DFGA Cc1scc(C(=O)NNC(=S)NCc2ccccc2)c1C 8830394 VNVHYRIJWJTVOG-UHFFFAOYSA-N 319.455 2.674 50 50 DFGA C[C@H](Cl)C(=O)N[C@@](C)(CO)c1cccc(C(F)(F)F)c1 1875377479 FJZBGFSXORVOGR-UFBFGSQYSA-N 309.715 2.656 50 50 DFGA CC[C@H](Br)C(=O)Nc1ccc(OC)c(OC)c1 32919890 ITLWQOXMEGNGPB-VIFPVBQESA-N 302.168 2.816 50 50 DFGA CCOc1cccc(/C=N/NC(=O)Cc2cccs2)c1O 72437 SOKQEJDPXHNEFB-MHWRWJLKSA-N 304.371 2.545 50 50 DFGA CN(C)c1cccc(C(=O)N/N=C/c2ccc(N)cc2Cl)c1 1875263602 YMIAZKHTFDERHC-VXLYETTFSA-N 316.792 2.752 50 50 DFGA Nc1cccc([C@H]2CN(C(=O)CCl)Cc3ccccc32)c1 1875387204 UCMXTNBXERXONW-MRXNPFEDSA-N 300.789 2.982 50 50 DFGA CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccco2)C(C#N)=C(N)O1 52570 VXFARAZVLZDNEG-ZDUSSCGKSA-N 302.330 2.703 50 50 DFGA C[n+]1cccc([C@H](O)P(=O)(c2ccccc2)c2ccccc2)c1 287873 DGHXRIBJDZARGQ-LJQANCHMSA-N 324.340 2.516 50 50 DFGA O=C(O)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)c(Cl)c1 1775996554 NTDJFOHFPOLRDX-CAOOACKPSA-N 318.716 2.508 50 50 DFGA C/C(=N\NC(=O)CSc1nc(C)cc(C)n1)c1ccccc1 83603 PRKZDDNRBSFVIE-CPNJWEJPSA-N 314.414 2.726 50 50 DFGA N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1ccccc1 182726 BWTLZAABJOJVHS-HNNXBMFYSA-N 315.332 2.746 50 50 DFGA CC/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(C)o1 5523062 VPHIJCWAMWZLCV-SFQUDFHCSA-N 300.314 2.861 50 50 DFGA Cc1cc(C(F)F)nc(C2(NC(=O)CCl)CCCC2)n1 1875369976 UHHJNIFWAWPQBH-UHFFFAOYSA-N 303.740 2.847 50 50 DFGA C[C@@H](Oc1ccccc1)C(=O)N/N=C1\C(O)=Nc2ccccc21 440799 GDQUODKGDZHXQU-LLVKDONJSA-N 309.325 2.576 50 50 DFGA Cc1ccccc1C1(C(=O)NNc2nccnc2Cl)CC1 114895583 DZFLBKVOAZZSCF-UHFFFAOYSA-N 302.765 2.613 50 50 DFGA COc1nccnc1NNC(=O)C(C)(C)c1cccc(Cl)c1 131906181 PBZMDPVEVHRWCC-UHFFFAOYSA-N 320.780 2.560 50 50 DFGA CCc1cccc(CN(C[C@H]2CC[C@H](O)C2)C(=O)CCl)c1 1875382462 CBAVAZBJRFGJSW-HOTGVXAUSA-N 309.837 2.977 50 50 DFGA O=C(O)[C@@H](Cl)C12CC3CC(C1)CC([C@H](Cl)C(=O)O)(C3)C2 4782579 QHAWOQDUTATKSV-BCGDNCOUSA-N 321.200 2.957 50 50 DFGA O=C(N/N=C/c1ccc(F)cc1)Nc1cccc2nsnc12 211924391 LKHDOSUCYKCMGC-LZYBPNLTSA-N 315.333 2.986 50 50 DFGA Cc1ccc(NCC(=O)N/N=C\c2ccc([N+](=O)[O-])s2)cc1 4982080 NLFUPTNDMVSRBS-PXNMLYILSA-N 318.358 2.527 50 50 DFGA O=C(CBr)c1ccc([N+](=O)[O-])cc1Br 20051114 AHYJTAWYAYMUDE-UHFFFAOYSA-N 322.940 2.935 50 50 DFGA O=C(CCl)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 408906537 GVMGUWIBYWAMFL-UHFFFAOYSA-N 324.789 2.665 50 50 DFGA C[C@H](Cl)C(=O)N1CCC[C@@H]1c1nccc(C(F)(F)F)n1 1875380613 UGXUONMMVZDAGY-JGVFFNPUSA-N 307.703 2.786 50 50 DFGA C/C(=N\NC(=O)c1ccc(Br)o1)c1ccc(N)cc1 12343211 BHTXIODWYOCWBP-LZYBPNLTSA-N 322.162 2.778 50 50 DFGA C/C(=N\NC(=O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 4990352 DQWABBBVZNXHNT-LICLKQGHSA-N 301.277 2.888 50 50 DFGA O=C(CCl)Nc1ccc2oc(C(F)(F)F)cc(=O)c2c1 1875378043 UTTIDLBQEACVPY-UHFFFAOYSA-N 305.639 2.989 50 50 DFGA CCO[C@H]1C[C@H]2[C@@H](Cl)[C@H]1NC2(C(F)(F)F)C(F)(F)F 245238504 RSEPZTQGKVOSMQ-YTLHQDLWSA-N 311.653 2.854 50 50 DFGA O=C(CCCl)Nc1ccc(I)cc1 5674469 HDSVPZQNUZOGIK-UHFFFAOYSA-N 309.534 2.859 50 50 DFGA C[C@@H](NC(=O)CCl)[C@H](c1ccccc1Cl)n1cccn1 1875377750 MTIXACSUUAKMTC-QMTHXVAHSA-N 312.200 2.869 50 50 DFGA O=C(CCl)Nc1cc(F)ccc1NC(=O)c1ccccn1 1324702329 VGYLSSNKHFAUDT-UHFFFAOYSA-N 307.712 2.650 50 50 DFGA N#C/C(=C/c1ccc(N2CCOCC2)o1)C(=O)Nc1ccccc1 4723651 MRJVKMKVLJMDFK-OWBHPGMISA-N 323.352 2.662 50 50 DFGA C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1ccc(O)c(O)c1 263628807 AEJJEOHHXUPABQ-TVGBFMDESA-N 300.358 2.700 50 50 DFGA O=C(O)CCSSCCNC(=O)C[C@@H]1C=CCCC1 1875388774 PQWBPBHNUPYNKQ-LLVKDONJSA-N 303.449 2.705 50 50 DFGA COc1ccc(CN(CC(C)(C)O)C(=O)CCl)cc1Cl 1875381737 GFBJTDFHKQXZSW-UHFFFAOYSA-N 320.216 2.687 50 50 DFGA C/C(=N\NC(=O)c1ccc(Br)o1)c1cccnc1 4997406 ABTPJYLYBJGSRP-OVCLIPMQSA-N 308.135 2.591 50 50 DFGA ICCCC#CCO[C@@H]1CCCCO1 222018411 KKJUZXSBFRXLBD-NSHDSACASA-N 308.159 2.748 50 50 DFGA Cc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c(C)c1 4209348 HMDVWHJRAOIJET-VXLYETTFSA-N 313.332 2.531 50 50 DFGA C=CCSC1=C(C#N)[C@H](c2ccc(OC)cc2)CC(=O)N1 8996106 QZCPSVUHENGULI-ZDUSSCGKSA-N 300.383 2.953 50 50 DFGA O=C(N/N=C/c1ccccc1)C1=CCN(Cc2ccccc2)CC1 289229 PWUMFNSXPXQLAN-RCCKNPSSSA-N 319.408 2.969 50 50 DFGA CC(C)(C)OC(=O)[C@@H](Br)CCBr 4521376 IELBUWARMJVXDU-LURJTMIESA-N 302.006 2.877 50 50 DFGA in-vitro C/C(=N\NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccccc1O 5030775 KEFRGAOHPRHNAZ-XDHOZWIPSA-N 320.352 2.936 50 50 DFGA C[C@H](Cl)C(=O)N1CCN(c2nccc3sccc23)CC1 1875377626 JALFTWDNYDEHKL-JTQLQIEISA-N 309.822 2.572 50 50 DFGA CCOc1ccc(C(=O)N/N=C/c2cccc(OC)c2O)cc1 64354 ZJEWJGMPASHNKL-WOJGMQOQSA-N 314.341 2.563 50 50 DFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(C)s1 43740 VEZVROUIORUOSL-CYBMUJFWSA-N 304.371 2.701 50 50 DFGA O=C(NNC(=O)c1sccc1-n1cccc1)c1ccccc1 5772788 DTSWZXLHVNPAFA-UHFFFAOYSA-N 311.366 2.614 50 50 DFGA N#CC1=C(N)OC2=C(C(=O)O[C@@H]3C=CC=C[C@H]23)[C@H]1[C@@H]1C=CCCC1 239433735 YJVGQMXEPONXHH-OSRDXIQISA-N 322.364 2.605 50 50 DFGA C[C@H](Cl)C(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 1875380698 WNEPMVJQNDSHRG-YUMQZZPRSA-N 309.719 2.762 50 50 DFGA Cc1c(CCCl)c(=O)oc2c1c(=O)n(C)c1ccccc21 332147 QTNBEVQPIGRBMV-UHFFFAOYSA-N 303.745 2.735 50 50 DFGA CCc1cc(C(=O)NNC(=S)NC2CCCCC2)cs1 373737 DBJWGYDBXITUAB-UHFFFAOYSA-N 311.476 2.752 50 50 DFGA COc1ccc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1O 4956706 ORYPQCFEZKTPFU-UALMWKMKSA-N 310.353 2.655 50 50 DFGA C[C@@H](Cl)C(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 1875378038 UPJMYLFXEFNKHI-PWSUYJOCSA-N 304.781 2.763 50 50 DFGA C/C(=N\NC(=O)c1cc(C)n[nH]1)c1ccc(Br)cc1 9012723 GBZOUKIBZLMQSK-CXUHLZMHSA-N 321.178 2.635 50 50 DFGA Cc1ccc(O)c(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)c1 434958 VYSCBNMMKMQJPL-YBFXNURJSA-N 320.352 2.855 50 50 DFGA C/C(CC(=O)Nc1ccccc1)=N\NC(=O)c1cccs1 102309539 HLQWEUNMRXDVHL-GZTJUZNOSA-N 301.371 2.883 50 50 DFGA O=C(N/N=C/c1ccc([N+](=O)[O-])s1)[C@@H]1C[C@H]1c1ccccc1 4473295 ZZFBKPNIYDINKF-PQQGUCMVSA-N 315.354 2.910 50 50 DFGA CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1CNC(=O)CCl 1875377156 AHWCSIZJTUXBHP-NSHDSACASA-N 318.845 2.767 50 50 DFGA O=C(CCl)Nc1cc(-c2ccc(Br)o2)ncn1 1875375017 ODLURTDKZTXDFF-UHFFFAOYSA-N 316.542 2.676 50 50 DFGA Nc1cccc([C@@H]2CN(C(=O)CCl)Cc3ccccc32)c1 1875387203 UCMXTNBXERXONW-INIZCTEOSA-N 300.789 2.982 50 50 DFGA O=C(N/N=C/c1ccccc1O)c1ccccc1Br 231878 GPKPWDYKRVUHHF-CXUHLZMHSA-N 319.158 2.919 50 50 DFGA COc1cccc([C@@H]2C(=O)OC(=O)[C@@H]2c2ccccc2)c1OC 100660314 JLYAXHWUYMTISX-CABCVRRESA-N 312.321 2.655 50 50 DFGA O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccccn1 254564 INVXDGMIMLRGBD-REZTVBANSA-N 310.140 2.858 50 50 DFGA CCSc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c(C)o1 6492106 HIHQXJPAYXNYGV-ZDUSSCGKSA-N 316.386 2.950 50 50 DFGA Cc1ccccc1NC(=S)NNC(=O)c1sccc1C 2788582 MBZWWDVZDBYEGW-UHFFFAOYSA-N 305.428 2.996 50 50 DFGA Cc1ccccc1C(=O)NCC(=O)N/N=C/C=C/c1ccccc1 4354164 YCFUJJFXGLMEEJ-DXGHLENMSA-N 321.380 2.540 50 50 DFGA C[C@@H](Cl)C(=O)NCC1CCN(c2ccccc2C#N)CC1 1875364257 MCSGUDZULPPTAE-GFCCVEGCSA-N 305.809 2.518 50 50 DFGA CN(CC[C@@H](O)c1ccc(Br)cc1)C(=O)CCl 1875387028 KJYXTROZIKSQEK-LLVKDONJSA-N 320.614 2.570 50 50 DFGA C[C@H](NC(=O)CCl)[C@@H](c1ccccc1Cl)n1cccn1 1875377748 MTIXACSUUAKMTC-HZMBPMFUSA-N 312.200 2.869 50 50 DFGA CC(C)c1ccc(C(=O)N2CCN(C(=O)[C@@H](C)Cl)CC2)cc1 1875363546 IQTPRVDJAZHRGH-CYBMUJFWSA-N 322.836 2.722 50 50 DFGA N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1cccs1 182732 VCFWANJYTCYKEC-ZDUSSCGKSA-N 321.361 2.808 50 50 DFGA C[C@@H]1CCC[C@@H](OCC(=O)NNc2cnc3ccccc3n2)C1 163554818 LGDLWIBJAAQRPQ-CHWSQXEVSA-N 314.389 2.668 50 50 DFGA O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1ccc(O)cc1O 435250 ORGFKXODNYYFKK-UFWORHAWSA-N 324.258 2.881 50 50 DFGA O=C(CCl)Nc1ccn(Cc2c(F)cccc2Cl)n1 2537719 NJYFAHBOQWCBEO-UHFFFAOYSA-N 302.136 2.901 50 50 DFGA O=C(CCl)N[C@@H]1CCN(C(=O)c2ccco2)c2ccccc21 1875375178 UBXFMIVZMAOIPH-GFCCVEGCSA-N 318.760 2.726 50 50 DFGA O=C(Cc1cccs1)NNC(=O)C12CC3CC(CC(C3)C1)C2 4680902 NUNNWDDHKJCFTE-UHFFFAOYSA-N 318.442 2.654 50 50 DFGA O=C(N/N=C/c1ccccc1)c1cc(Br)ccc1O 244891 SZAPZSKBPFXKBK-CXUHLZMHSA-N 319.158 2.919 50 50 DFGA O=C([C@H](F)Cl)N1CC(F)(c2ccc(Br)cc2)C1 2325898598 NHMKUOXQHAOXOJ-VIFPVBQESA-N 324.552 2.991 50 50 DFGA O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)[C@H]1C[C@@H]1c1ccccc1 295240 JVCOZZAJCSGVSZ-TVFCKZIOSA-N 320.392 2.741 50 50 DFGA CC(C)(CO)[C@@H](CNC(=O)/C(C#N)=C\C1CC1)c1ccccc1 279495230 PSBSRZGFOBZAOO-RNIVLKNTSA-N 312.413 2.765 50 50 DFGA Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1c[nH]c2ccccc12 229363 RKPYZPWPMVTGBB-VXLYETTFSA-N 309.373 2.591 50 50 DFGA COc1ccc(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)c(OC)c1 105211288 ABXNPFIDBFQMEO-CIVLAZQXSA-N 316.401 2.980 50 50 DFGA O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2ccco2)n[nH]1 71981 WGIRCMVXBARGGO-VXLYETTFSA-N 319.324 2.915 50 50 DFGA COc1ccccc1/C=C/C=N/NC(=O)c1cc(C2CC2)n[nH]1 9339619 DVWGLZJNNAOXSJ-SRFURKKRSA-N 310.357 2.725 50 50 DFGA FC(F)(F)C1(C(F)(F)F)[C@H]2C[C@H]3[C@@H]([C@@H]2Br)[N@]31 1857524891 XKUBBXCEJQOOTG-UAMLKWFASA-N 310.035 2.700 50 50 DFGA COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(F)cc1 2764241 NESOLXSZCNCKPN-UHFFFAOYSA-N 322.723 2.563 50 50 DFGA COc1cc(C2C(C#N)=C(C)NC(C)=C2C#N)cc(O)c1OC 390458 WYDFYFRDFAYBSH-UHFFFAOYSA-N 311.341 2.691 50 50 DFGA COc1cc(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)ccc1O 105211612 QXRPAXQHBHNUDQ-VTMOVLHUSA-N 302.374 2.677 50 50 DFGA OB(O)c1ccc(-c2ccc(OCc3ccccc3)cc2)cc1 169744558 QNTKEFUYQWYPQF-UHFFFAOYSA-N 304.154 2.612 50 50 DFGA in-vitro O=C(CCl)N(Cc1ccc2occc2c1)CC1(O)CCC1 1875382594 IHLMYEVEGPUECU-UHFFFAOYSA-N 307.777 2.915 50 50 DFGA NC(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 478836 RUHHVQQMTVXNKT-GIJQJNRQSA-N 303.749 2.921 50 50 DFGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc(Cl)cc1 4699792 QJYGSSHUDMQGSV-LZYBPNLTSA-N 319.704 2.718 50 50 DFGA C[C@H](Cl)C(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)CC1 1875380224 IUQHVVDQJYJCOY-NWDGAFQWSA-N 303.830 2.974 50 50 DFGA CCOc1ccc(-c2cc(C(=O)NN)c3ccccc3n2)cc1 442747 OWDAIWXVVKPXIC-UHFFFAOYSA-N 307.353 2.904 50 50 DFGA O=C(N/N=C/c1ccccc1O)c1ccc(Br)o1 438341 RIKBUWODJRCANU-VGOFMYFVSA-N 309.119 2.512 50 50 DFGA Cc1ccc(Nc2nc(N)nc([C@H](C)Br)n2)cc1 4344187 GMEMJECVQLEGJC-QMMMGPOBSA-N 308.183 2.962 50 50 DFGA O=C(CCl)NCCc1c[nH]c2cccc(Br)c12 1875378098 VRLJZXPROSULNA-UHFFFAOYSA-N 315.598 2.828 50 50 DFGA CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1 4993053 YUPNUPLNXFYXAO-INIZCTEOSA-N 323.400 2.783 50 50 DFGA CC(C)(C)[Si](C)(C)Oc1ccc(F)c(B(O)O)c1Cl 261494437 XQFZQPCTJQXFSF-UHFFFAOYSA-N 304.630 2.543 50 50 DFGA COc1ccccc1NC(=O)NNC(=O)c1c[nH]c2ccccc12 13323962 MUAVKOUEGCJPOD-UHFFFAOYSA-N 324.340 2.643 50 50 DFGA COc1ccc(O)c(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)c1 226694544 GVUMEHUKXXFMQQ-ORNDDERHSA-N 302.374 2.677 50 50 DFGA C[C@H]1CCC[C@@H](C)N1C(=O)c1cc2ncc(CCCl)cn2n1 13133554 KGRFGARPBAOETG-TXEJJXNPSA-N 320.824 2.914 50 50 DFGA FC(F)(F)C1(C(F)(F)F)[C@H]2C[C@H]3[C@@H]([C@H]2Br)[N@]31 1857524888 XKUBBXCEJQOOTG-AIPFVVIYSA-N 310.035 2.700 50 50 DFGA Cc1cccc(NC(=O)CCC(=O)N/N=C/c2cccs2)c1 1960245 AJXMYXGEBRTLHB-GZTJUZNOSA-N 315.398 2.926 50 50 DFGA CC(=O)c1c(CBr)nc2n(C)c3ccccc3n12 1431843 BCRCEOCPJNPAGT-UHFFFAOYSA-N 306.163 2.924 50 50 DFGA CC1(CC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)OCCO1 442947 GRFVPMGEKNEFIX-LDADJPATSA-N 304.390 2.587 50 50 DFGA O=C(Cl)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 11974791 SXIUZIQEYOOHEP-CQSZACIVSA-N 313.740 2.659 50 50 DFGA COC(=O)C1=C(C)NC(C)=C(C#N)[C@@H]1c1cccc([N+](=O)[O-])c1 25559245 ORRQMVIRGUDEAK-HNNXBMFYSA-N 313.313 2.526 50 50 DFGA biogenic Cn1ccc(C(=O)N2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)n1 585127969 NYKBFTYCICOELP-LBPRGKRZSA-N 309.486 2.656 50 50 DFGA C[C@@H](Cl)C(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2 1875364133 JDUZQNCDNNZALX-SSDOTTSWSA-N 321.707 2.602 50 50 DFGA Cc1cc(/C=N/NC(=O)CC#N)c(C)n1-c1ccc(N(C)C)cc1 447478 BRFBHXSYYPTGJS-UDWIEESQSA-N 323.400 2.524 50 50 DFGA CCSC1=C(C#N)[C@@H](c2cc(OC)ccc2OC)CC(=O)N1 9110794 ILNXFDLEUPEQSU-LLVKDONJSA-N 318.398 2.796 50 50 DFGA O=C(Cn1cnc2ccccc21)N/N=C/c1ccc(Cl)cc1 228825 VLMAMOIQFDUJJX-DJKKODMXSA-N 312.760 2.840 50 50 DFGA CCOc1cc(/C=N/NC(=O)c2ccc(C)s2)ccc1O 2762696 BNXFRHAZFSYGHY-CXUHLZMHSA-N 304.371 2.925 50 50 DFGA O=C(N/N=C/c1ccccc1Cl)C(=O)Nc1ccc(F)cc1 3151057 GQDQCRPVFWFSMN-GIJQJNRQSA-N 319.723 2.568 50 50 DFGA Cc1ccccc1C(=O)N/N=C/c1cc2ccccc2[nH]c1=O 4229187 IKFQWYXVMGQIKU-YBFXNURJSA-N 305.337 2.600 50 50 DFGA O=C(N/N=C1\C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12)c1ccc2c(c1)OCO2 1875390450 RPWFBEZENPCOCE-HACVEEGSSA-N 312.369 2.957 50 50 DFGA Cc1ccc(/C=N/NC(=O)COc2ccc(N(C)C)cc2)cc1 6627190 VULKDFPLBXQGGJ-XDHOZWIPSA-N 311.385 2.590 50 50 DFGA C[C@H](Oc1ccc(Cl)cc1)C(=O)NN=Cc1ccccc1O 245229133 OCWOBFMMVYPPKE-NSHDSACASA-N 318.760 2.963 50 50 DFGA COc1cccc(/C=C(/C#N)c2nc(=O)c3ccccc3[nH]2)c1 6294948 OFOSDUNFHCMZRD-LCYFTJDESA-N 303.321 2.996 50 50 DFGA N#C/C(=C\c1ccc(O)c(O)c1)C(=O)N1CCc2ccccc21 2204479 MYKCTDWWIWGLHW-NTEUORMPSA-N 306.321 2.594 50 50 DFGA in-vitro COc1cc(/C=N\NC(=O)c2cccs2)cc(OC)c1OC 31719677 OUTTYHVTODCCFB-SXGWCWSVSA-N 320.370 2.538 50 50 DFGA CC(C)(C)OC(=O)N1CCC[C@H]([C@H](Br)C=O)C1 1857781411 PKGDNLMCPGZXCB-VHSXEESVSA-N 306.200 2.596 50 50 DFGA C#CC[C@H](CO)N(Cc1cccc(C2CC2)c1)C(=O)CCl 1875382103 QZPYPEXRKSIURV-MRXNPFEDSA-N 305.805 2.516 50 50 DFGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1C 283042 YLHZIIYQPFMUHZ-MRXNPFEDSA-N 310.353 2.818 50 50 DFGA O=C(N/N=C/c1ccccc1Br)c1cccnc1 227647 XAYFJURPGLLODB-CXUHLZMHSA-N 304.147 2.608 50 50 DFGA N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 12428889 UEOKKNWUTCMBLK-HNNXBMFYSA-N 309.281 2.519 50 50 DFGA biogenic,in-vitro CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1cccs1 58564 QPTWIFBEVOMTSS-LLVKDONJSA-N 324.789 2.612 50 50 DFGA O=C(C(Br)Br)C(F)(F)C(F)(F)F 2390203 OJSMVZNNJAOBLZ-UHFFFAOYSA-N 319.849 2.869 50 50 DFGA OB(O)c1ccc(C=C(c2ccccc2)c2ccccc2)cc1 169954702 FZLBSPJVPHSNBE-UHFFFAOYSA-N 300.166 2.955 50 50 DFGA CCOc1ccc(/C(C)=N/NC(=O)c2cc(C3CC3)n[nH]2)cc1 6493503 WJWNHXZEBKXUIR-WOJGMQOQSA-N 312.373 2.840 50 50 DFGA COC(=O)c1c(NC(=O)[C@@H](C)Cl)sc2c1CCCC2 3887374 UXOYXLFFOHUVJG-SSDOTTSWSA-N 301.795 2.979 50 50 DFGA O=C(CCc1ccccc1)NNC(=O)[C@@H]1C[C@@H]1c1ccccc1 4595424 APLGZUFFCUOBKV-IAGOWNOFSA-N 308.381 2.570 50 50 DFGA COc1ccc(OCC(=O)N/N=C(\C)c2ccc(C)cc2)cc1 5164365 PMSIPKAIMWWGRU-XMHGGMMESA-N 312.369 2.923 50 50 DFGA CCOC(=O)CSc1ccc2c3c(cccc13)C(=O)OC2=O 95582397 AUKSOEDDQYXIPZ-UHFFFAOYSA-N 316.334 2.806 50 50 DFGA Cc1nnsc1C(=O)N/N=C/c1cccc(Cl)c1Cl 5792614 VVDUFHWPEGBCES-LHHJGKSTSA-N 315.185 2.917 50 50 DFGA C[C@H](Cl)C(=O)NC[C@@H]1CCCC[C@@H]1OCC(F)(F)F 1875364659 PPSDRRKXICWDDR-GUBZILKMSA-N 301.736 2.868 50 50 DFGA O=C(Cl)C(Br)(Br)Br 4976094 RDBMNMVDVKRYKW-UHFFFAOYSA-N 315.186 2.590 50 50 DFGA Cc1ccccc1NCC(=O)N/N=C\c1ccc(N(C)C)cc1 32606141 AUVDTWPKQUDGQK-NDENLUEZSA-N 310.401 2.623 50 50 DFGA C=C(C)CNC(=S)NNC(=O)c1ccc(Cl)cc1Cl 5495192 AUODZNDSPGTZIY-UHFFFAOYSA-N 318.229 2.678 50 50 DFGA CC(C)(C)c1cc(C(=O)N/N=C\c2cc3c([nH]2)CCCC3)[nH]n1 32614595 AADFKQMWYJQTMO-ZDLGFXPLSA-N 313.405 2.678 50 50 DFGA O=S1(=O)C[C@]23CCCC[C@]2(C=C[C@@H](Br)C3)C1 45028152 SEEZTZCGPVJVIE-GRYCIOLGSA-N 305.237 2.685 50 50 DFGA C[C@H](Cl)C(=O)NCc1csc(COc2ccccc2)n1 1875377600 IEEMAIBZAFTIBL-JTQLQIEISA-N 310.806 2.966 50 50 DFGA O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)[C@H]1C[C@H]1c1ccccc1 4017628 JVCOZZAJCSGVSZ-USTZCAOPSA-N 320.392 2.741 50 50 DFGA CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Cl)cc1 2577765 LCQXGFTXKWEWQC-UHFFFAOYSA-N 303.811 2.876 50 50 DFGA Cc1cc(Cl)ccc1CN1CCN(C(=O)[C@H](C)Cl)CC1 1875380269 KIJOZVANUZBSFC-LBPRGKRZSA-N 315.244 2.920 50 50 DFGA Cc1ccc(OCC(=O)NNC(=O)c2cc3ccccc3o2)cc1 133152 YAPZOCIMBBNQDC-UHFFFAOYSA-N 324.336 2.581 50 50 DFGA aggregator CCSC1=C(C#N)[C@H](c2cc(OC)ccc2OC)CC(=O)N1 9110793 ILNXFDLEUPEQSU-NSHDSACASA-N 318.398 2.796 50 50 DFGA Cc1ccsc1C(=O)NNC(=S)N[C@@H](C)c1ccccc1 2727233 WQQGAKAUIWWMQI-NSHDSACASA-N 319.455 2.927 50 50 DFGA N#C/C(=C\c1ccc([N+](=O)[O-])o1)C(=O)Nc1ccccc1F 334160359 BYJRSNWZTBHOHL-VQHVLOKHSA-N 301.233 2.873 50 50 DFGA NC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 435109 GANUFCGHYJZVLE-YBFXNURJSA-N 305.341 2.542 50 50 DFGA CC(=O)Nc1cc(C)nn1-c1ccc(NC(=O)[C@@H](C)Cl)cc1 1875364840 VLSMGXXFAZJDDC-SNVBAGLBSA-N 320.780 2.705 50 50 DFGA C[C@@H](Cl)C(=O)NCc1csc(COc2ccccc2)n1 1875377601 IEEMAIBZAFTIBL-SNVBAGLBSA-N 310.806 2.966 50 50 DFGA O=C([C@@H](F)Cl)N1CC(F)(c2ccc(Br)cc2)C1 2325898597 NHMKUOXQHAOXOJ-SECBINFHSA-N 324.552 2.991 50 50 DFGA N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1ccccc1 182723 BWTLZAABJOJVHS-OAHLLOKOSA-N 315.332 2.746 50 50 DFGA N#CC1=C(N)Oc2[nH]c(-c3ccccc3)nc2[C@H]1c1cccnc1 5066832 JGMLGMGREXIXFV-AWEZNQCLSA-N 315.336 2.690 50 50 DFGA CCCC(=O)NNC(=S)Nc1cccc(C(F)(F)F)c1 6389142 OQBDNSQYEOPQGB-UHFFFAOYSA-N 305.325 2.823 50 50 DFGA COc1ccc(/C=N/NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1O 3155424 ORYPQCFEZKTPFU-ACIMENLPSA-N 310.353 2.655 50 50 DFGA CC/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1ccccc1 4976159 UPTQRXVIUCKBBP-GMYFBSLISA-N 310.353 2.757 50 50 DFGA O=C(CCCCl)OCc1cn(-c2ccc(Cl)cc2)nn1 3052605 VUUFPFUMGQHCFU-UHFFFAOYSA-N 314.172 2.983 50 50 DFGA N#Cc1ccccc1OCC(=O)N/N=C/c1ccccc1Cl 289367 LVPDRVMMZPKDSX-VXLYETTFSA-N 313.744 2.741 50 50 DFGA CCOc1ccc(/C=N/NC(=O)c2ccoc2C)cc1OC 232376 PGWSKUBCRCELJR-LICLKQGHSA-N 302.330 2.759 50 50 DFGA O=C(NN(Cc1ccccc1)c1ccccc1)C1CCNCC1 170599539 OPACWPUEAHTMOJ-UHFFFAOYSA-N 309.413 2.724 50 50 DFGA O=C1Oc2ccccc2[C@@H](Br)[C@@H]1Br 100039585 KJKAAETZDLJFKU-SFYZADRCSA-N 305.953 2.805 50 50 DFGA O=C(NNC(=O)[C@@H]1[C@H]2CCCC[C@H]21)Nc1ccc(Cl)cc1 217475172 IQWDRLAUZYRKPL-ITGUQSILSA-N 307.781 2.929 50 50 DFGA COc1ccc(/C=N/NC(=O)c2ccc(N)cc2)c(Cl)c1 1775988404 CHBTYRSKOQXQCZ-GIJQJNRQSA-N 303.749 2.695 50 50 DFGA CCc1ccc(/C=N/NC(=O)c2cc(-c3ccco3)n[nH]2)cc1 9271375 BCNYZEBTQNDYEU-WOJGMQOQSA-N 308.341 2.996 50 50 DFGA Cc1nn(C)cc1/C=N/NC(=O)c1cc(Cl)ccc1Cl 371093 DJYVJCJCNHYTSF-OMCISZLKSA-N 311.172 2.799 50 50 DFGA C/C(=N\NC(=O)c1cnccn1)c1ccc(Cl)c(Cl)c1 19849981 JCYGUFSVGFYWKU-QGMBQPNBSA-N 309.156 2.937 50 50 DFGA CC[C@H]1CCc2c(sc(NC(=O)CCCl)c2C(N)=O)C1 2027834 DOIPERJSTLLJPJ-QMMMGPOBSA-N 314.838 2.929 50 50 DFGA O=C(NCC(F)(F)F)c1ccc(-c2noc(CCl)n2)cc1 34924948 AVTLEFQVTONXSR-UHFFFAOYSA-N 319.670 2.768 50 50 DFGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccccc1OCC#N 245227062 XSAPIRZWPQVADU-JVTZNMGOSA-N 311.385 2.865 50 50 DFGA CCOc1cc(/C=N/NC(=O)Cc2cccs2)ccc1O 12558915 JGCWISKBEPTXMW-MHWRWJLKSA-N 304.371 2.545 50 50 DFGA O=C(O)CCSSCCNC(=O)[C@]12CCCC[C@H]1C2 1875388531 FSOHZPGDODDFGF-GWCFXTLKSA-N 303.449 2.539 50 50 DFGA CCCc1n[nH]c2c1[C@@H](c1ccc(F)cc1F)C(C#N)=C(N)O2 377162 BBRGCQVWDXJMDC-ZDUSSCGKSA-N 316.311 2.859 50 50 DFGA O=C(NNc1ccccc1)c1cn(-c2ccccc2Cl)nn1 111553971 UOUALXUIMPPZPB-UHFFFAOYSA-N 313.748 2.678 50 50 DFGA COC(=O)N[C@@H]1CC2=C(CCC2)C[C@H]1I 43761534 GSHMKWSEVUFAJV-NXEZZACHSA-N 321.158 2.789 50 50 DFGA Cc1c(Br)cnn1[C@H](C)C(=O)NC1=C(C#N)CCC1 6527579 BAFZLAJFKQYHQI-SECBINFHSA-N 323.194 2.593 50 50 DFGA C/C(=N/NC(=O)c1cccc(Cl)c1)c1ccc([N+](=O)[O-])o1 12342905 NOHMBBFDDJIMJA-NVNXTCNLSA-N 307.693 2.995 50 50 DFGA Cc1ccc2c(c1)/C(=N/NC(=O)c1ccc(Cl)cc1)C(=O)N2 6673709 HSSDSHFTRPYBNO-UHFFFAOYSA-N 313.744 2.735 50 50 DFGA Cc1conc1CN(C(=O)CCl)[C@H]1CC(C)(C)OC1(C)C 1875381992 NCMGGBHUQDANPT-LBPRGKRZSA-N 314.813 2.897 50 50 DFGA Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)[C@@H](C)Cl 1875366561 XHRNAAZKJPOKFU-RQJHMYQMSA-N 311.735 2.867 50 50 DFGA O=C(NN=C1CCCC1)C(O)(c1ccccc1)c1ccccc1 273036 SNZNYLKSCQKCND-UHFFFAOYSA-N 308.381 2.969 50 50 DFGA COC(=O)N[C@H](O)C(Cl)(Cl)[C@@H](Cl)c1ccccc1 3122217 JWPSPSHAERZDKC-DTWKUNHWSA-N 312.580 2.815 50 50 DFGA CCn1cc(/C=N\NC(=O)c2cc(Cl)ccc2OC)c(C)n1 17055544 QGWFVLDPISIYMO-IUXPMGMMSA-N 320.780 2.637 50 50 DFGA COc1ccccc1Nc1nc(N)nc([C@@H](C)Br)n1 1442072 LHNVCYUUOQPVAB-SSDOTTSWSA-N 324.182 2.662 50 50 DFGA Cc1cc(C)nc(S[C@@H](C)C(=O)N/N=C/c2cccs2)n1 440179 ZLSOPUSFWXOAHM-UXYFDLPDSA-N 320.443 2.786 50 50 DFGA C[C@H](Cl)C(=O)N1CCN(c2nc3ccccc3s2)CC1 1875363618 MUCQIYSZUNIQFC-JTQLQIEISA-N 309.822 2.572 50 50 DFGA Cc1cc(C(=O)NNC(=S)N[C@@H](C)c2ccccc2)cs1 8855131 JGUCOZVLFOIBOG-NSHDSACASA-N 319.455 2.927 50 50 DFGA CC(C)(C)OC(=O)N1CCC(C(=O)CBr)CC1 72194199 HYRSGTXIVIMOOX-UHFFFAOYSA-N 306.200 2.598 50 50 DFGA in-vitro CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1CNC(=O)CCl 1875377152 AHWCSIZJTUXBHP-LLVKDONJSA-N 318.845 2.767 50 50 DFGA C/C(=N\NC(=O)c1ccc(Br)o1)c1ccccn1 5007108 OLDBRORWXFKSHO-OVCLIPMQSA-N 308.135 2.591 50 50 DFGA C[C@@H](Cl)C(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 1875380697 WNEPMVJQNDSHRG-SFYZADRCSA-N 309.719 2.762 50 50 DFGA COC(=O)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1 15219788 SOFLZIRTNMQZBC-UVTDQMKNSA-N 322.320 2.724 50 50 DFGA C[C@H](Cl)C(=O)N1C[C@H](C)CN(Cc2ccccc2)C[C@H]1C 1875367998 HVNIJBVSHRBPLT-KFWWJZLASA-N 308.853 2.983 50 50 DFGA CCOC(=O)[C@@H](Br)P(=O)(OCC)OCC 2559884 JTMDGKZDQVZDKA-ZETCQYMHSA-N 303.089 2.537 50 50 DFGA Cc1cc(OCC(=O)NNC(=O)C(C)(C)C)cc(C)c1Cl 1750111 HYFVZAMFUQXEMX-UHFFFAOYSA-N 312.797 2.529 50 50 DFGA N#Cc1c(NC(=O)c2ccn(CCl)n2)sc2c1CCC2 2786261 AXNLQLAGDVGEPM-UHFFFAOYSA-N 306.778 2.754 50 50 DFGA C[C@@H](Cl)C(=O)N1CCC[C@H]1c1nccc(C(F)(F)F)n1 1875380614 UGXUONMMVZDAGY-SFYZADRCSA-N 307.703 2.786 50 50 DFGA Cc1csc(CN(C[C@@H]2CCCO2)C(=O)[C@@H](C)Cl)n1 1875363483 DKYKFJJINLPIPU-MNOVXSKESA-N 302.827 2.586 50 50 DFGA O=C(Cc1ccccc1Cl)NNC(=S)Nc1ccccc1 2380917 PLEPOTJNSCAELA-UHFFFAOYSA-N 319.817 2.900 50 50 DFGA COc1ccc(NNC(=O)C2(c3cccc(F)c3)CCC2)nc1 159077258 FDMOEVSBZWXDPU-UHFFFAOYSA-N 315.348 2.794 50 50 DFGA CC(C)(C)OC(=O)N1CC(CCI)C1 80053730 OGFCVYKPYPPCDL-UHFFFAOYSA-N 311.163 2.678 50 50 DFGA CC(C)(C)OC(=O)N1CC[C@@H](CI)C1 38530304 DNUFVBGZKFHSDQ-QMMMGPOBSA-N 311.163 2.678 50 50 DFGA in-vitro COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)C(N)=S)o1 15009322 ROAFVFBFZUWGKH-CSKARUKUSA-N 312.350 2.926 50 50 DFGA Cc1csc(CN(C[C@H]2CCCO2)C(=O)[C@H](C)Cl)n1 1875363485 DKYKFJJINLPIPU-WDEREUQCSA-N 302.827 2.586 50 50 DFGA CCc1[nH]nc2c1[C@@H](c1ccnc3ccccc13)C(C#N)=C(N)O2 6785462 VJAXJSBBOPIIKS-HNNXBMFYSA-N 317.352 2.738 50 50 DFGA CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2F)C(C#N)=C(N)O1 77703 UWKNUGVJDFDJHW-HNNXBMFYSA-N 316.332 2.859 50 50 DFGA COc1ccc([C@H]2Nc3nc4ccccc4n3C(N)=C2C#N)cc1 5028351 JOFZWWALFYEHAW-MRXNPFEDSA-N 317.352 2.863 50 50 DFGA C#C[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 196315442 RDSJHLBWIDSOQE-QGZVFWFLSA-N 324.496 2.557 50 50 DFGA CCOC(=O)[C@@H](F)P(=O)(c1ccccc1)c1ccccc1 335216 XKHZGLYXWHKPCS-HNNXBMFYSA-N 306.273 2.859 50 50 DFGA CC(C)(C)[Si](C)(C)Oc1ccc2cc(B(O)O)ccc2c1 169743969 QJXUSWJSQVIBCP-UHFFFAOYSA-N 302.255 2.904 50 50 DFGA in-vitro C[C@@H](Cl)C(=O)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 1875366107 MGYSOZFOYXYVSW-ZJUUUORDSA-N 313.747 2.821 50 50 DFGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1ccsc1 208051 JCAVTXHQMGZXCV-GFCCVEGCSA-N 304.371 2.783 50 50 DFGA COc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1OC 33328215 DKVWZXFHKZRLEC-JYRVWZFOSA-N 312.325 2.520 50 50 DFGA Cn1cncc1C(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1 585128122 SFKGHTAXKWMTLP-GFCCVEGCSA-N 309.486 2.656 50 50 DFGA CCOc1cccc(-c2cc(C(=O)NN)c3ccccc3n2)c1 2769205 MTNQMWDZMAEAQT-UHFFFAOYSA-N 307.353 2.904 50 50 DFGA Cc1ccc(NCC(=O)N/N=C\c2cc(Cl)ccc2O)cc1 55425230 NFEFHAOGLBSXBN-OCKHKDLRSA-N 317.776 2.916 50 50 DFGA C[C@H]1CCC[C@H](OCC(=O)NNc2cnc3ccccc3n2)C1 163554719 LGDLWIBJAAQRPQ-STQMWFEESA-N 314.389 2.668 50 50 DFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(F)cc1F 63001 AEIFVTNVVSVYMB-CQSZACIVSA-N 320.295 2.610 50 50 DFGA O=C(COc1ccc(F)cc1)N/N=C/c1cccc2cccnc12 435130 HRCFGQFZSSSAKZ-SRZZPIQSSA-N 323.327 2.903 50 50 DFGA COc1cccc(/C(C)=N/NC(=O)c2ccc(N(C)C)cc2)c1 5019860 IXUKFOUQLSPSBE-CPNJWEJPSA-N 311.385 2.915 50 50 DFGA COc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)c1 18324367 XHISGSZLXLLKEL-ZDUSSCGKSA-N 324.384 2.934 50 50 DFGA CC1(C)OB(c2ccccc2CCBr)OC1(C)C 169746271 MXPUVJQWJQJUND-UHFFFAOYSA-N 311.028 2.923 50 50 DFGA in-vitro O=C(COc1ccccc1)NNC(=O)Nc1ccc(Cl)cc1 4956462 AWUXNFQOJJVCIJ-UHFFFAOYSA-N 319.748 2.572 50 50 DFGA O=C(N/N=C\c1c[nH]c2ccccc12)c1n[nH]c2c1CCCC2 55253596 FJLWUMXWWMQNHB-GRSHGNNSSA-N 307.357 2.534 50 50 DFGA COC(=O)c1ccc(=O)n(CCO[Si](C)(C)C(C)(C)C)c1 585089016 LCCKUGMSNSQQDA-UHFFFAOYSA-N 311.454 2.657 50 50 DFGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1c[nH]c2ccccc12 284771 FLGRHQXGQDMOBN-MRXNPFEDSA-N 305.337 2.983 50 50 DFGA CCSc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c(C)o1 6492107 HIHQXJPAYXNYGV-CYBMUJFWSA-N 316.386 2.950 50 50 DFGA C/C(=N\NC(=O)Cc1cccs1)c1ccc([N+](=O)[O-])cc1 19800601 FRYSKWVISHUORX-XNTDXEJSSA-N 303.343 2.739 50 50 DFGA CCOc1cc(CNC(=O)CCl)cc(OCC)c1OCC 32117980 UDDIYQYLCSLPCK-UHFFFAOYSA-N 315.797 2.738 50 50 DFGA O=C1[C@@H]2[C@H]3C[C@H](Br)[C@H]4[C@H]3C[C@@H]2[C@H]4[C@H]1Br 245267376 LLBLSJMPYGDIAH-GJAWKPGMSA-N 320.024 2.614 50 50 DFGA COC(=O)c1ccccc1NC=C(C#N)C(=O)Nc1ccccc1 2049463224 FCIMEQGPXGOJFB-UHFFFAOYSA-N 321.336 2.931 50 50 DFGA CC(C)CNC(=S)NNC(=O)c1csc2ccccc12 8773004 IBDMUYLCZGGRMW-UHFFFAOYSA-N 307.444 2.666 50 50 DFGA CC1(C)[C@H](Cl)C(=O)[C@@H](C(=O)c2ccccc2)C(=O)[C@@H]1Cl 239377474 NZERTSNECSBYNG-CFWWUVRLSA-N 313.180 2.878 50 50 DFGA N#Cc1cccc(C(=O)C(Br)Br)c1 72108524 ZVLLBQRGONKKBI-UHFFFAOYSA-N 302.953 2.857 50 50 DFGA C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(C)cc1 4492170 NMSAAGNZNBOKAB-MRXNPFEDSA-N 310.353 2.806 50 50 DFGA COc1cc(/C=C(\C#N)C(N)=O)ccc1OCc1ccc(C)cc1 450881 AVNXYKBHOWXLNQ-CXUHLZMHSA-N 322.364 2.975 50 50 DFGA C=CCOc1ccccc1C(=O)NNC(=O)NC1CCCCC1 8554826 RRNYHKBPZSEARB-UHFFFAOYSA-N 317.389 2.528 50 50 DFGA Cc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)c1O 434966 USXDMQQRINFDCL-YBFXNURJSA-N 320.352 2.855 50 50 DFGA N#C/C(=C\c1ccc(F)c(Br)c1)C(=O)NC1CC1 7164142 HOOQTFSDOOFFQQ-WEVVVXLNSA-N 309.138 2.774 50 50 DFGA Cc1cccc(C(=O)N/N=C/c2cc3ccccc3[nH]c2=O)c1 4229157 GTJQAZKEBDWKHG-YBFXNURJSA-N 305.337 2.600 50 50 DFGA C[C@H](Cl)C(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 1875378036 UPJMYLFXEFNKHI-CMPLNLGQSA-N 304.781 2.763 50 50 DFGA O=C(NNC(=S)Nc1ccc(F)cc1)[C@@H]1[C@H]2CCCC[C@H]21 217448726 XRGUJHZJKWLVAC-ITGUQSILSA-N 307.394 2.580 50 50 DFGA Cc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 431515 DAWGDDWPSAZEEA-VIZOYTHASA-N 307.693 2.914 50 50 DFGA CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(C#N)cc2)cc1 358092 FWEAJWYURUCLCU-UDWIEESQSA-N 320.352 2.671 50 50 DFGA Cc1cc(C)c(NC(=O)[C@]2(C)C[C@H]2Br)cc1CO 864058715 UUJACMHAHXXZHG-TZMCWYRMSA-N 312.207 2.908 50 50 DFGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1ccccc1 3151089 SNKYXSOYEDAHQK-VCHYOVAHSA-N 315.760 2.737 50 50 DFGA O=C(N/N=C/c1ccc(Br)cc1)c1cccc(O)c1 28171 XBABXVYYPZRBFT-CXUHLZMHSA-N 319.158 2.919 50 50 DFGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1ccc(F)cc1 242016 SHCOWGYBECTHKA-CQSZACIVSA-N 316.332 2.861 50 50 DFGA CC[C@@H](Br)C(=O)Nc1ccc(OC)c(OC)c1 32919889 ITLWQOXMEGNGPB-SECBINFHSA-N 302.168 2.816 50 50 DFGA ClCc1cc2nc(Cl)nc(N3CCOCC3)c2s1 203715677 ZNATZJQLFVNUCL-UHFFFAOYSA-N 304.202 2.920 50 50 DFGA O=C(N/N=C\C=C\c1ccc2c(c1)OCO2)c1ccc(F)cc1 12731178 MDXHYSURFRNFHX-LCUBDLGASA-N 312.300 2.983 50 50 DFGA O=C(N/N=C\c1ccccc1C(F)(F)F)c1n[nH]c2c1CCC2 15722629 ADFGNYSLQGRWKO-UWVJOHFNSA-N 322.290 2.681 50 50 DFGA CC(=O)NNC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 63759 MQUPWTTYQVXUQF-UHFFFAOYSA-N 320.433 2.947 50 50 DFGA CC1=C(C#N)[C@H](c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1 19760464 MVZWFSHHDPBDGC-KRWDZBQOSA-N 308.337 2.907 50 50 DFGA O=C1Nc2ccccc2/C1=N\NC(=O)C12CC3CC(CC(C3)C1)C2 4833677 SYKRIOFGNFUFPP-UHFFFAOYSA-N 323.396 2.675 50 50 DFGA C[C@H](Cl)C(=O)N1CCC(NC(=O)CC2CCCCC2)CC1 1875364050 HQRIYSZASDEGFH-LBPRGKRZSA-N 314.857 2.691 50 50 DFGA O=C(NN=C1CCCC1)C(=O)Nc1ccc(Cl)c(Cl)c1 4699463 UHKRYJMLWKZCKK-UHFFFAOYSA-N 314.172 2.978 50 50 DFGA CCOC(=O)c1sc(NC(=O)[C@H](C)Cl)c(C#N)c1C 35411886 QRXKHKUXVPHXLH-ZETCQYMHSA-N 300.767 2.671 50 50 DFGA O=C(N/N=C/c1cc(Br)ccc1F)c1ccncc1 67431 FDDMJBWPOXJKSE-CAOOACKPSA-N 322.137 2.747 50 50 DFGA O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(O)c(O)c1 59175 JULIFZRPLNVVLR-UDWIEESQSA-N 320.348 2.944 50 50 DFGA O=C(CC(=O)N/N=C/C1CCCCC1)N/N=C/C1CCCCC1 5830000 YMFZMZFWIJGFFP-KLCVKJMQSA-N 320.437 2.741 50 50 DFGA COc1ccccc1/C=N/NC(=O)COc1ccc(Cl)cc1 281875 HZZQFAXFGZLWNK-VCHYOVAHSA-N 318.760 2.878 50 50 DFGA Cc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cccc(C)c2)cc1 4820402 OHVDSYPRVPDZGJ-AWEZNQCLSA-N 312.369 2.532 50 50 DFGA C[C@H](Cl)C(=O)N[C@](C)(CO)c1cccc(C(F)(F)F)c1 1875377478 FJZBGFSXORVOGR-QPUJVOFHSA-N 309.715 2.656 50 50 DFGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1ccc(F)cc1 242013 SHCOWGYBECTHKA-AWEZNQCLSA-N 316.332 2.861 50 50 DFGA O=C(NNC(=O)c1sccc1-n1cccc1)c1cccs1 1394301 FUNWZWUDXMTSRA-UHFFFAOYSA-N 317.395 2.675 50 50 DFGA NNC(=O)CSc1c(-c2cccs2)[nH]c2ccccc12 51835 BLDVUMNFRYOLJA-UHFFFAOYSA-N 303.412 2.978 50 50 DFGA Cc1cc(C(=O)NNC(=S)Nc2ccccc2C)cs1 8684127 QVZUXRAEAHDNBV-UHFFFAOYSA-N 305.428 2.996 50 50 DFGA COc1cccc(CN(CC[C@H]2CCCO2)C(=O)CCl)c1 1875375568 DYFBVSHTEUZWDX-CQSZACIVSA-N 311.809 2.832 50 50 DFGA COc1cc(OC)c2cc(CCCNC(=O)[C@@H](C)Cl)[nH]c2c1 1875364606 XXHVAAXAQPSFCR-SNVBAGLBSA-N 324.808 2.861 50 50 DFGA Cn1cccc1CC(=O)N/N=C/c1ccccc1C(F)(F)F 230829 SURMVQIYEDTOQN-VXLYETTFSA-N 309.291 2.737 50 50 DFGA Cc1ccc(NC(=O)NNC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1 371550 NMCCLXMJUGFITQ-HZPDHXFCSA-N 309.369 2.951 50 50 DFGA O=C(COc1ccc(Br)cc1)N/N=C/c1ccco1 261331 PHVDFFRFSAAOGD-OVCLIPMQSA-N 323.146 2.571 50 50 DFGA COc1ccc(Cl)cc1NC(=S)NNC(=O)CC(C)C 13520053 PBSKQKQLZQJZLD-UHFFFAOYSA-N 315.826 2.712 50 50 DFGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)C1CCCCC1 6126733 HLNUBVTVXQRURH-WOJGMQOQSA-N 320.389 2.743 50 50 DFGA Cc1ccccc1NCC(=O)N/N=C\c1cc(Cl)ccc1O 32603808 YDNCPCAHQKQMMF-OCKHKDLRSA-N 317.776 2.916 50 50 DFGA O=C(N/N=C/c1cc(Cl)ccc1O)c1cccc([N+](=O)[O-])c1 293169 IPLZWRIFRDWKEE-LZYBPNLTSA-N 319.704 2.718 50 50 DFGA CCC(=O)NNC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1 3109257 LLEYNAHZNHISSX-MRXNPFEDSA-N 308.381 2.550 50 50 DFGA COc1cc(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)ccc1O 100298771 QXRPAXQHBHNUDQ-FVTOAIEFSA-N 302.374 2.677 50 50 DFGA CCc1n[nH]c2c1[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 351044 IGSQCHAPMYRKTD-GFCCVEGCSA-N 300.749 2.844 50 50 DFGA C=C(C)CNC(=S)NNC(=O)c1ccc(C(C)(C)C)cc1 5495191 SARHKWUMFUDPGG-UHFFFAOYSA-N 305.447 2.669 50 50 DFGA O=C(Cc1ccccc1)NNC(=S)Nc1ccc(Cl)cc1 383357 FIRNVVDFFZQLAX-UHFFFAOYSA-N 319.817 2.900 50 50 DFGA Nc1ccccc1[C@@H](Br)[C@H](Br)C(=O)O 2168005 VWWKTRTXXRLZHM-SFYZADRCSA-N 322.984 2.553 50 50 DFGA C/C(=N\NC(=O)c1n[nH]c2c1CCCC2)c1ccc(F)cc1 17016471 NRYPYEWYJXTADJ-VCHYOVAHSA-N 300.337 2.582 50 50 DFGA C/C=C1\CN2CC[C@@]34C(=C(C=O)[C@H]1C[C@@H]23)Nc1c(O)cccc14 169685012 JDOFCMASVRMYJU-VDSFZSFWSA-N 308.381 2.563 50 50 DFGA biogenic Cc1cc(C[C@@H](C)NC(=O)[C@H](C)Cl)n(-c2ccccc2)n1 1875363813 AVFCSEAPLZCGAB-YPMHNXCESA-N 305.809 2.855 50 50 DFGA CC1(C)OC[C@@H](NC(=O)C(Cl)Cl)[C@@H](c2ccccc2)O1 101357722 PTLGVCWSCPCPDZ-GHMZBOCLSA-N 318.200 2.799 50 50 DFGA CCCn1c(=O)c(C(=O)N/N=C(\C)CC)c(O)c2ccccc21 101123517 VYGHIRYTACFNIM-WOJGMQOQSA-N 315.373 2.633 50 50 DFGA Cc1cc(NNC(=O)Nc2ccc3c(c2)C=CCCC3)nc(N)n1 1311003692 GRKZRFPARAKTSE-UHFFFAOYSA-N 324.388 2.865 50 50 DFGA [N-]=[N+]=NCc1cc(C2CCN(C(=O)[C@H](F)Cl)CC2)no1 2325878094 DMRCLTCSAUYGAG-JTQLQIEISA-N 301.709 2.725 50 50 DFGA CC(C)(C)C(=O)/C(C#N)=C\N1CCN(c2ccccc2F)CC1 5249982 KIZZPFOKRQYQDR-YPKPFQOOSA-N 315.392 2.970 50 50 DFGA COc1ccc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1 468278 MJYVIAGIXQQKFR-QGZVFWFLSA-N 322.320 2.642 50 50 DFGA COC(=O)c1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cn1C 491012824 SDKMWTOBKVFELI-RIYZIHGNSA-N 323.352 2.666 50 50 DFGA COc1ccc(Br)c(C=C(C#N)C#N)c1OC(C)=O 395999 BUBJKGIPYWBFTO-UHFFFAOYSA-N 321.130 2.814 50 50 DFGA Cc1ccc(OCC(=O)N/N=C\c2cc(Cl)ccc2O)cc1 32565777 UEKRIFIYXXTNBU-NVMNQCDNSA-N 318.760 2.883 50 50 DFGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cccs1 251128 GEEQIGMLDOIKRH-CXUHLZMHSA-N 320.370 2.538 50 50 DFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(C)cc1C 4011629 KNDRRLSJLIUYKU-INIZCTEOSA-N 312.369 2.948 50 50 DFGA Cc1ccc(NC(=O)NNC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 371547 NMCCLXMJUGFITQ-JKSUJKDBSA-N 309.369 2.951 50 50 DFGA CCCOc1ccc(CNC(=O)CCl)c(OC(F)F)c1 1336912299 SLGMVADMLPBQRH-UHFFFAOYSA-N 307.724 2.932 50 50 DFGA COc1cccc(/C=N/NC(=O)CCn2cnc3ccccc32)c1 544610 ZHFUTDOYRGOKIW-UDWIEESQSA-N 322.368 2.585 50 50 DFGA O=C(N/N=C/c1cccs1)c1cccc(N2CCCC2=O)c1 290898 MVNVGTAJPDLBLY-GZTJUZNOSA-N 313.382 2.639 50 50 DFGA C[C@H](Cl)C(=O)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 1875366106 MGYSOZFOYXYVSW-VHSXEESVSA-N 313.747 2.821 50 50 DFGA COc1ccc(/C=N/NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1OC 301222 FBSONPVFIVRBFO-VTLGGBRFSA-N 324.380 2.958 50 50 DFGA Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)o1 61415 VECGPYYDRAAGSV-AWEZNQCLSA-N 320.304 2.913 50 50 DFGA biogenic,in-vitro CCc1ccc(-c2cc(C(=O)N/N=C/c3ccco3)[nH]n2)cc1 9176543 YAFWXKLFQLWBKO-WOJGMQOQSA-N 308.341 2.996 50 50 DFGA O=C(N/N=C/c1cccc(F)c1)c1cc(-c2ccccc2)n[nH]1 5359036 CVYVIZQFDMJQAS-YBFXNURJSA-N 308.316 2.980 50 50 DFGA CCc1n[nH]c2c1[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 4812829 RMLPERGEBFIADD-GFCCVEGCSA-N 300.749 2.844 50 50 DFGA COC(=O)c1cc(NC(=O)CCl)ccc1N1CCCCC1 1875374918 JSHCDZXPXZENOD-UHFFFAOYSA-N 310.781 2.641 50 50 DFGA C[C@H](Cl)C(=O)N1CCOC[C@H]1Cc1c[nH]c2ccccc12 1875377588 IASPVGSCERAKOT-WCQYABFASA-N 306.793 2.565 50 50 DFGA N#CSc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 241588059 OZGIPJLNNMFLFM-TXFQPVFDSA-N 314.366 2.721 50 50 DFGA COc1ccc(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)c(OC)c1 222251874 ABXNPFIDBFQMEO-CUKLWOHFSA-N 316.401 2.980 50 50 DFGA CC[C@@H](Br)C(=O)Nc1ccccc1C(=O)OC 32919657 FGAQUMDVDVWCRH-SECBINFHSA-N 300.152 2.585 50 50 DFGA CC[C@@H](Br)/C(O)=N/S(=O)(=O)c1ccccc1 40106 CSAZNHFFECGMBK-SECBINFHSA-N 306.181 2.505 50 50 DFGA N#C/C(=C\c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 609340 OHUMZLNSWUXUSB-XNTDXEJSSA-N 314.322 2.933 50 50 DFGA O=C(CCl)N(Cc1ccc(Cn2cccn2)cc1)CC1CC1 1875376181 OAEKITNCRJHUEL-UHFFFAOYSA-N 317.820 2.909 50 50 DFGA C[C@@H](Cl)C(=O)Nc1cccc(-c2cn3cccnc3n2)c1 1875364783 UFNXMBKZGWRJIQ-SNVBAGLBSA-N 300.749 2.962 50 50 DFGA O=C(N/N=C1\C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)c1ccc2c(c1)OCO2 1875390451 RPWFBEZENPCOCE-HHWWFYBISA-N 312.369 2.957 50 50 DFGA O=C1Oc2ccccc2[C@@H](Br)[C@H]1Br 100039590 KJKAAETZDLJFKU-HTQZYQBOSA-N 305.953 2.805 50 50 DFGA O=C(CSc1ccccn1)N/N=C\c1c[nH]c2ccccc12 19535823 WRPVVNKSRHKIEP-GRSHGNNSSA-N 310.382 2.805 50 50 DFGA COc1cccc(OC(F)(F)F)c1CNC(=O)[C@@H](C)Cl 1875376022 LZXBSCJAXZXXJJ-SSDOTTSWSA-N 311.687 2.837 50 50 DFGA N#CC(C#N)=C(C#N)C(=N)Nc1ccc(Br)cc1 1775938188 ZNYUSVBCIQGZJP-UHFFFAOYSA-N 300.119 2.706 50 50 DFGA Cc1c(-c2ccccc2)n[nH]c1C(=O)N/N=C/c1ccccn1 264638 SPGBSNOVLMTOSQ-YBFXNURJSA-N 305.341 2.544 50 50 DFGA CCOc1ccc(/C=N/NC(=O)Cc2cccs2)cc1OC 554850 PUYCMFUYNJIMSV-GZTJUZNOSA-N 318.398 2.848 50 50 DFGA Cc1ccc(O[C@H](C)C(=O)NNC(=O)c2cccc(C)c2)cc1 4820403 OHVDSYPRVPDZGJ-CQSZACIVSA-N 312.369 2.532 50 50 DFGA COc1ccc(-c2cc[nH]n2)cc1NNC(=O)OC(C)(C)C 584904563 XKIMCUWBJLQMMH-UHFFFAOYSA-N 304.350 2.937 50 50 DFGA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccccc1 4366168 ZCMCPNSELBFWQV-PBSOMRJOSA-N 313.313 2.512 50 50 DFGA Cc1cc(C)n2nc(/C(C#N)=C/c3ccccn3)c(C#N)c2n1 4052265 OERNWGOYNMZBQY-MDWZMJQESA-N 300.325 2.677 50 50 DFGA CCOc1ccc(/C=N/NC(=O)CN2CCCCCCC2)cc1 13112005 SUUBYIIDRLJVOF-XMHGGMMESA-N 317.433 2.802 50 50 DFGA O=C(COc1cccc(Cl)c1Cl)N/N=C/c1ccncc1 2521745 XAZJDIPFXRQECI-QGMBQPNBSA-N 324.167 2.918 50 50 DFGA COC(=O)N[C@@H]1CC(C)=C(C)C[C@H]1I 4973081 JQWOABYWLWVCKX-RKDXNWHRSA-N 309.147 2.645 50 50 DFGA O=C(NNc1cccnc1Cl)c1cc2c(s1)CCOC2 128456876 SWSWOAGUEYBXFB-UHFFFAOYSA-N 309.778 2.626 50 50 DFGA C[C@@H](Cl)C(=O)N(C[C@@H]1C[C@H]2C=C[C@H]1C2)C1CCN(C)CC1 1875380594 SYUUJAGREAVKSJ-QPSCCSFWSA-N 310.869 2.749 50 50 DFGA COc1ccc(C(=O)NN)cc1COc1ccc(Cl)cc1 373982 GJKHWRWMLIKNLV-UHFFFAOYSA-N 306.749 2.531 50 50 DFGA Cc1ccccc1NC(=O)C(=O)N/N=C/C=C/c1ccccc1 2381350 IVBVMVCOPTYMKB-MMWWNLEXSA-N 307.353 2.749 50 50 DFGA COC(=O)N[C@@H](O)C(Cl)(Cl)[C@H](Cl)c1ccccc1 3122216 JWPSPSHAERZDKC-BDAKNGLRSA-N 312.580 2.815 50 50 DFGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3O)[nH]n2)cc1 435393 HJKTYVZVXHDSHU-YBFXNURJSA-N 320.352 2.855 50 50 DFGA CC1=C(C#N)C[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1 1857526219 ZWBLOTGHRFMBRY-NSHDSACASA-N 317.776 2.911 50 50 DFGA CN(C)CC1CCN(c2ccc(NC(=O)CCl)cc2)CC1 1320466373 YZUADRZUSPTKOP-UHFFFAOYSA-N 309.841 2.642 50 50 DFGA Cc1ccc(O[C@@H]2C(=O)OC(=O)[C@H]2Oc2ccc(C)cc2)cc1 101010291 SAOJMKVUBZJOHH-HOTGVXAUSA-N 312.321 2.582 50 50 DFGA C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccn1 5010242 OSFAXKJSZDOUKD-RQZCQDPDSA-N 318.720 2.797 50 50 DFGA CCOP(=O)(OCC)[C@H](C)NC(=O)N(CCCl)N=O 3784065 YAKWPXVTIGTRJH-MRVPVSSYSA-N 315.694 2.530 50 50 DFGA in-man COc1cccc(-c2cc(C(=O)NN)c3cc(C)ccc3n2)c1 6279251 MJESMNVPNAIFRR-UHFFFAOYSA-N 307.353 2.822 50 50 DFGA CCOc1ccccc1/C=N/NC(=O)Cn1cnc2ccccc21 72801 VJFWVRHMSVPYGP-RGVLZGJSSA-N 322.368 2.585 50 50 DFGA CCc1ccc(/C=N/NC(=O)Cn2cnc3ccccc32)cc1 228768 XNPMNIYOPLVZQW-RGVLZGJSSA-N 306.369 2.749 50 50 DFGA Cc1c(-c2ccccc2)n[nH]c1C(=O)N/N=C/c1ccccc1O 9186663 UHBMRKOKYOZWNJ-YBFXNURJSA-N 320.352 2.855 50 50 DFGA C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)c1ccccc1F)C2 100261581 DQFDOGWOUFBTGD-KPZWWZAWSA-N 316.376 2.969 50 50 DFGA C/C(=N\NC(=O)COc1ccccc1)c1cccc([N+](=O)[O-])c1 12343149 GFIGSRXMQHMGAF-SFQUDFHCSA-N 313.313 2.514 50 50 DFGA C[C@@H](Cl)C(=O)N(CCOc1ccccc1)C1CCOCC1 1875377897 QLXUUCOGJHQJMR-CYBMUJFWSA-N 311.809 2.700 50 50 DFGA Cc1cc(C)n(C[C@@H]2CN(/C(=C/C#N)c3ccccc3)CCO2)n1 170654767 PZJHLOAGDFZRCU-POKCZJJJSA-N 322.412 2.765 50 50 DFGA O=C(N/N=C1\C[C@H]2C[C@H]1[C@H]1CCC[C@H]12)c1ccc2c(c1)OCO2 1875390452 RPWFBEZENPCOCE-IKFYYGCVSA-N 312.369 2.957 50 50 DFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(C)ccc1C 285989 UEUGLVACTIQUAQ-INIZCTEOSA-N 312.369 2.948 50 50 DFGA CCOC(=O)C1=C(N)OC(CCl)=C(C#N)[C@@H]1c1ccsc1 370229 OJSXQXBMBDLIOV-NSHDSACASA-N 324.789 2.612 50 50 DFGA C[C@H]1CCC[C@H](C)N1C(=O)c1cc2ncc(CCCl)cn2n1 1012112 KGRFGARPBAOETG-RYUDHWBXSA-N 320.824 2.914 50 50 DFGA O=C(COc1ccc(Cl)cc1)N/N=C1\COc2ccccc21 43761318 KJBZYNJCOYQDAT-NBVRZTHBSA-N 316.744 2.632 50 50 DFGA CSc1ccc(/C=N/NC(=O)CCc2c(C)n[nH]c2C)cc1 2506234 WOETXFLZSRLTPW-LICLKQGHSA-N 316.430 2.831 50 50 DFGA C/C(=N\NC(=O)CCn1nnc2ccccc21)c1ccc(C)cc1 33325991 YNNIQCHYGBQPAC-XMHGGMMESA-N 321.384 2.670 50 50 DFGA C[C@@H](Cl)C(=O)N1CCC[C@@H]1c1nccc(C(F)(F)F)n1 1875380612 UGXUONMMVZDAGY-HTQZYQBOSA-N 307.703 2.786 50 50 DFGA CC(C)(C)OC(=O)N/N=C(/COc1ccccc1)NC1CC1 66323349 WFHCZXNOGZDLEK-UHFFFAOYSA-N 305.378 2.656 50 50 DFGA Cc1ccc(OCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 260031 MNPFXCBCMRUYOH-XDHOZWIPSA-N 311.385 2.590 50 50 DFGA COc1ccc(C(=O)/C=C(\C)NNC(=O)c2ccccc2)cc1 5015197 XTQQPTHJOFHTDU-OUKQBFOZSA-N 310.353 2.716 50 50 DFGA OB(O)c1ccc(COc2ccc(Cl)c3ccccc23)cc1 169903745 HFDWDXIYFHVORX-UHFFFAOYSA-N 312.561 2.752 50 50 DFGA in-vitro Cc1cccc(NCC(=O)N/N=C/c2ccc([N+](=O)[O-])s2)c1 124578 QPHAFOKYMPGROI-LZYBPNLTSA-N 318.358 2.527 50 50 DFGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1cccs1 240737 RYKUPPXFMVKKPQ-LBPRGKRZSA-N 304.371 2.783 50 50 DFGA CC(C)(SCc1ccccc1)[C@@H](NC(=O)CCl)C(=O)O 71766980 XUJDVUAUJGIDGK-LBPRGKRZSA-N 315.822 2.507 50 50 DFGA O=C(COc1ccc(Cl)cc1)N/N=C/c1ccccc1O 261383 QIGWJWKJTCAFTM-RQZCQDPDSA-N 304.733 2.575 50 50 DFGA O=C(CCl)N1CCC[C@H]1c1nc(Cc2ccc(F)cc2)no1 1875364972 ZVUBTLWYMMTEEW-LBPRGKRZSA-N 323.755 2.702 50 50 DFGA Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1c(C)[nH]c2ccccc12 229367 HBQVINQUWDRMAP-VXLYETTFSA-N 323.400 2.899 50 50 DFGA O=C(N/N=C/c1ccccc1O)c1cc(-c2ccc(F)cc2)n[nH]1 16973717 OKQYCWZRCBRRRH-VXLYETTFSA-N 324.315 2.685 50 50 DFGA C/C(=N\NC(=O)c1ccc(Br)cc1)c1cccnc1 5010128 NFYDLSZURGNFKI-LICLKQGHSA-N 318.174 2.998 50 50 DFGA Cc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1 3152692 KSCSTBPWDRPVBR-VCHYOVAHSA-N 315.760 2.737 50 50 DFGA CC[C@H](C(=O)NCCSSCCC(=O)O)C(F)(F)F 1875354910 SUQDJIBGOHSLIR-SSDOTTSWSA-N 319.370 2.547 50 50 DFGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cccc(O)c1 88419 XKZTXDZEEIGENV-OAHLLOKOSA-N 310.353 2.843 50 50 DFGA C/C(=N\NC(=O)c1ccc(Br)o1)c1cccc(N)c1 12343212 HDTVPYOWGOMRDZ-LZYBPNLTSA-N 322.162 2.778 50 50 DFGA COc1ccc2ccccc2c1/C=N/NC(=O)c1cc(C)n[nH]1 18144066 QRPUADPYCKFHKG-VCHYOVAHSA-N 308.341 2.644 50 50 DFGA C[C@H](NC(=O)/C(C#N)=C/c1ccc(O)c(O)c1)c1ccccc1 2557951 UMGQVUWXNOJOSJ-DGGAMASNSA-N 308.337 2.882 50 50 DFGA in-vitro COc1ccc(/C=N/NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1OC 4949213 FBSONPVFIVRBFO-AHQHQLSQSA-N 324.380 2.958 50 50 DFGA Cc1cccc(NC(=O)C(=O)N/N=C/C=C/c2ccccc2)c1 4261015 JAKUJVYIQSFPSW-ATFGCDJJSA-N 307.353 2.749 50 50 DFGA CCN1CCN(c2c(Cl)cccc2NC(=O)CCl)CC1 1875368062 NGEWXIZFXAUBCM-UHFFFAOYSA-N 316.232 2.659 50 50 DFGA Cc1cc2ncn(C[C@@H](NC(=O)CCl)C3CC3)c2cc1C 1875364589 XGFGNHLEJFCIBJ-CQSZACIVSA-N 305.809 2.787 50 50 DFGA COc1cccc(C(=O)NNC(=O)Nc2cccc(Cl)c2)c1 292985 VARCDWQTULHWEV-UHFFFAOYSA-N 319.748 2.815 50 50 DFGA Cc1ccc(-c2cc(C(=O)N/N=C/c3cccnc3)[nH]n2)s1 9071031 MMRWWGQDSFDHLG-RQZCQDPDSA-N 311.370 2.606 50 50 DFGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(N(C)C)cc1 2485587 WTJPIQUWDJKRLU-PIGZYNQJSA-N 323.396 2.813 50 50 DFGA C[C@](O)(C(=O)N/N=C\c1c[nH]c2ccccc12)c1ccccc1 32496177 QQURAQMPDOBDEM-BDBXIWDTSA-N 307.353 2.526 50 50 DFGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1ccccc1F 292713 JTZPSOSPAHPUCN-AWEZNQCLSA-N 316.332 2.861 50 50 DFGA COCc1noc([C@]2(c3ccccc3)C[C@H]2Br)n1 1775993877 WSWSJKPQAKQFMZ-MFKMUULPSA-N 309.163 2.669 50 50 DFGA Cc1ccc(CNC(=S)NNC(=O)c2sccc2C)cc1 17055082 GQPBBGYPJBDBJS-UHFFFAOYSA-N 319.455 2.674 50 50 DFGA O=C(N/N=C/c1c(O)ccc2ccccc12)[C@@H](O)c1ccccc1 436905 GOQUJXHLVQVSOE-TYJAPOHBSA-N 320.348 2.729 50 50 DFGA CN(C)/C=C(\C=O)c1onc(-c2ccccc2Cl)c1C#N 1400281 RJBSFTSQJBWBKQ-CSKARUKUSA-N 301.733 2.968 50 50 DFGA COC(OC)[C@H](C)N(Cc1cc(C)ccc1F)C(=O)CCl 1875382449 BLYJRYSJLWXSSZ-NSHDSACASA-N 317.788 2.709 50 50 DFGA Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1cccs1 436003 BOARRHDYOUAFQV-UHFFFAOYSA-N 324.789 2.550 50 50 DFGA O=C(N/N=C/c1ccccc1C(F)(F)F)c1n[nH]c2c1CCC2 446585 ADFGNYSLQGRWKO-UFWORHAWSA-N 322.290 2.681 50 50 DFGA OB(O)c1ccccc1N(Cc1ccccc1)Cc1ccccc1 230541619 MXNGZSQNHVHLQB-UHFFFAOYSA-N 317.197 2.573 50 50 DFGA C/C(=N\NC(=O)COc1ccccc1Cl)c1ccncc1 8181881 SAVQFFNWNUTROT-WOJGMQOQSA-N 303.749 2.654 50 50 DFGA Cc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1 2566423 VAPJETOKBVAPOD-VCHYOVAHSA-N 315.760 2.737 50 50 DFGA O=C(Nc1ccc2nccnc2c1Br)[C@@H](F)Cl 2325901670 SFUGNXXZZSFXJE-SECBINFHSA-N 318.533 2.865 50 50 DFGA COc1ccc(C(=O)NN/C(C)=C\C(=O)c2ccccc2)cc1 13119745 OHRZKOGPRUIFPM-SEYXRHQNSA-N 310.353 2.716 50 50 DFGA COc1ccc([C@@H](C)NC(=O)[C@H](C)Cl)cc1Cn1cccn1 1875364532 NPNCKGCZNJKEHX-NWDGAFQWSA-N 321.808 2.745 50 50 DFGA C[C@H](Cl)OC(=O)N1CCc2nc(Cl)nc(Cl)c2C1 95829812 HTUVXXIFOPOXHY-RXMQYKEDSA-N 310.568 2.863 50 50 DFGA COc1cccc(/C=N/NC(=O)c2cc(C)oc2C)c1OC 228266 AEMUVPHHYHXDSJ-RQZCQDPDSA-N 302.330 2.678 50 50 DFGA CC(C)(C)OC(=O)NC12CC(CI)(C1)C2 1384380789 RNGSFSJLWZFVLJ-UHFFFAOYSA-N 323.174 2.869 50 50 DFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccc(Cl)c1 242321 SUPIQLIJMZTXPT-AWEZNQCLSA-N 318.760 2.985 50 50 DFGA COc1cccc(CC(=O)OC(=O)Cc2cccc(OC)c2)c1 100543266 JLXYMEJGVHKIRC-UHFFFAOYSA-N 314.337 2.559 50 50 DFGA N#CC1=C(S)NC(=O)C[C@@H]1c1ccc(Br)cc1 8973527 KYWLZNYZGJAYSW-SECBINFHSA-N 309.188 2.718 50 50 DFGA CC[C@@H](Br)C(=O)N(CCCOC)Cc1ccco1 32919936 SCXFQCMOLMSCPL-GFCCVEGCSA-N 318.211 2.818 50 50 DFGA O=C(N/N=C/c1ccc(O)cc1)c1ccccc1Br 301080 FRRWUURNIOWIDR-CXUHLZMHSA-N 319.158 2.919 50 50 DFGA C=CCOC(=O)[C@@H](CCl)Cn1c(=O)sc2ccccc21 5495017 RHVYLDZQYCCJKJ-JTQLQIEISA-N 311.790 2.647 50 50 DFGA CC(C)OCCCNC(=O)/C(C#N)=C\c1ccc2oncc2c1 864087341 SPKXQSUSEYXEQS-ZSOIEALJSA-N 313.357 2.666 50 50 DFGA C[C@H](Cl)C(=O)N1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F 1875380670 VSIHERGDXUJQAS-SBMIAAHKSA-N 321.726 2.967 50 50 DFGA O=C(/C=C/c1ccccc1Cl)NNC(=O)c1cccs1 2857359 CNJYKVBDIFQIEA-BQYQJAHWSA-N 306.774 2.876 50 50 DFGA O=C(N/N=C/c1ccco1)c1n[nH]c2c1CCc1ccccc1-2 264645 ARYIDDOYEGVXIM-VCHYOVAHSA-N 306.325 2.532 50 50 DFGA CCc1cc(C(=O)CBr)c(OC)c([N+](=O)[O-])c1 2576074 DGAFBSVHUSPLJE-UHFFFAOYSA-N 302.124 2.743 50 50 DFGA COc1ccccc1/C=N/NC(=O)CCn1cnc2ccccc21 544680 KNMRUWZHTMNBOI-UDWIEESQSA-N 322.368 2.585 50 50 DFGA CC(C)(C)OC(=O)N1CCC[C@H](I)C1 40448405 JXEZFSNOYBRXFT-QMMMGPOBSA-N 311.163 2.821 50 50 DFGA in-vitro O=C(N/N=C/c1ccccn1)c1ccccc1Br 254129 LKZOSXONTQMDJJ-CXUHLZMHSA-N 304.147 2.608 50 50 DFGA Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2ccccc2F)c1 2911720 MDXBXNJMJAATQK-VXLYETTFSA-N 313.332 2.531 50 50 DFGA CC1CC(C(=O)NNC(=O)C2CC2)(c2cccc(Cl)c2)C1 294459647 UCFZMSJWRREKEG-UHFFFAOYSA-N 306.793 2.565 50 50 DFGA Cc1ccc(NC(=O)NNC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1 371549 NMCCLXMJUGFITQ-CVEARBPZSA-N 309.369 2.951 50 50 DFGA N#C/C(=C\c1ccsc1)C(=O)NCc1ccc2c(c1)OCO2 17032446 KVRRSNLGYSIQBJ-WLRTZDKTSA-N 312.350 2.700 50 50 DFGA CC(C)[C@H]1C(=O)Nc2ccc(Cl)cc2N1C(=O)CCl 1875377163 AKARTDPQIHAOFV-LBPRGKRZSA-N 301.173 2.889 50 50 DFGA N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@@H]1c1ccoc1 4014717 NNCIFKNQFUWHCL-LLVKDONJSA-N 310.338 2.949 50 50 DFGA N#C/C(=C/c1ccc2nc[nH]c2c1)c1nnc2n1CCCCC2 585136122 RGFUNAYAJATNRF-JYRVWZFOSA-N 304.357 2.945 50 50 DFGA C/C(=N\NC(=O)COc1ccccc1Cl)c1ccc(O)cc1 12491871 ZQQXEHNDGRYKKI-WOJGMQOQSA-N 318.760 2.965 50 50 DFGA COC1(C(F)(F)F)CCN(C(=O)C(C)(C)CCl)CC1 1875284097 LMGLOBATLFFNEN-UHFFFAOYSA-N 301.736 2.821 50 50 DFGA N#CC1=C(N)Oc2[nH]nc(-c3cccnc3)c2[C@@H]1c1ccsc1 620207 ZNONVXPGDQFUBT-GFCCVEGCSA-N 321.365 2.751 50 50 DFGA C/C(=N\NC(=O)c1cc(C)n[nH]1)c1ccc2ccccc2c1O 6493741 PARKRNSYLFKXJI-YBFXNURJSA-N 308.341 2.731 50 50 DFGA C/C(=N\NC(=O)c1ccc2c(c1)OCO2)[C@H]1C[C@H]2CC[C@H]1C2 105213400 VJIXRXXKKDRDGL-PMGZXTEXSA-N 300.358 2.957 50 50 DFGA O=C1OC(=O)[C@@H]2[C@H]1[C@@H]1c3ccccc3[C@H]2N1Cc1ccccc1 526056033 GFFBQGKLFUHZPA-WNKDZCFJSA-N 305.333 2.614 50 50 DFGA CC[C@@H]1Oc2cc([C@H](C)NC(=O)[C@H](C)Cl)ccc2NC1=O 1875364315 NSRROFZMLTUMTJ-AUTRQRHGSA-N 310.781 2.601 50 50 DFGA CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O1 77695 JRKDNHZJBRGSEA-HNNXBMFYSA-N 316.332 2.859 50 50 DFGA COC(=O)c1c(NC(=O)CCl)sc2c1CC[C@@H](C)C2 1940277 KVUGJPXQNROMGZ-SSDOTTSWSA-N 301.795 2.837 50 50 DFGA Cc1nc2sc(C(=O)NN)c(-n3cccc3)c2c(C)c1Cl 118459 ZKPACMBVUQXYOH-UHFFFAOYSA-N 320.805 2.961 50 50 DFGA O=C(COc1ccc(Br)cc1)NN=C1CCCC1 301162 RZNHRBGCASMZPI-UHFFFAOYSA-N 311.179 2.874 50 50 DFGA COc1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc1OC 169306323 SJSMAYIKPRLJRB-PDDJDMFCSA-N 316.401 2.980 50 50 DFGA C[C@H](NC(=O)CCl)[C@H](c1ccccc1Cl)n1cccn1 1875377749 MTIXACSUUAKMTC-IINYFYTJSA-N 312.200 2.869 50 50 DFGA FC1(F)OC(F)(F)[C@H](Br)[C@H]1Br 97956659 RQODRKYKKNAJAA-JCYAYHJZSA-N 301.859 2.729 50 50 DFGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](CC(C)C)[C@H]2C1 34954496 BQJWPHSTVIRLBX-IRXDYDNUSA-N 323.444 2.700 50 50 DFGA O=C(CCl)NC[C@H]1CN(Cc2ccccc2)CC12CCC2 693672659 SKXDWSYTBBWNIP-HNNXBMFYSA-N 306.837 2.644 50 50 DFGA C#CC[C@@H](CO)N(Cc1cccc(C2CC2)c1)C(=O)CCl 1875382102 QZPYPEXRKSIURV-INIZCTEOSA-N 305.805 2.516 50 50 DFGA CC(C)(C)c1n[nH]c2c1[C@H](c1cccs1)C(C#N)=C(N)O2 4473497 ZXQGXNFQVCMOIJ-JTQLQIEISA-N 300.387 2.987 50 50 DFGA CSc1ccc(/C=N/NC(=O)c2n[nH]c3c2CCCC3)cc1 73267 MOFFHWJWHZBVJS-LICLKQGHSA-N 314.414 2.774 50 50 DFGA COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)c1 207267 GIOORDFCFRMVJE-QGZVFWFLSA-N 323.352 2.504 50 50 DFGA aggregator CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](CC(C)C)[C@H]2C1 106231536 BQJWPHSTVIRLBX-DLBZAZTESA-N 323.444 2.700 50 50 DFGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 245226769 KPAJWYDGZZITBI-ZGQHFSNZSA-N 301.346 2.871 50 50 DFGA [N-]=[N+]=CC(=O)[C@](O)(c1ccccc1)[C@@H](Cl)c1ccccc1 4085761 YROIZDMVYRRHKA-JKSUJKDBSA-N 300.745 2.724 50 50 DFGA C[C@H](Cl)C(=O)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 1875377586 IASPVGSCERAKOT-AAEUAGOBSA-N 306.793 2.565 50 50 DFGA COc1cc(C(=O)N/N=C/c2c[nH]c3ccccc23)ccc1O 280664 MNGWTRIVKCGHEF-VXLYETTFSA-N 309.325 2.646 50 50 DFGA CC[C@@H]1CCc2c(sc(NC(=O)CCCl)c2C(N)=O)C1 2027836 DOIPERJSTLLJPJ-MRVPVSSYSA-N 314.838 2.929 50 50 DFGA N#CC1=C(N)Oc2[nH]nc(C(F)(F)F)c2[C@@H]1c1ccc(F)cc1 76387 CPEWKYOPLDOAFV-SECBINFHSA-N 324.237 2.786 50 50 DFGA O=C(CCC(=O)Nc1cccc(Cl)c1)N/N=C/c1ccco1 3083859 ACJUTZHDLUWXHV-LICLKQGHSA-N 319.748 2.802 50 50 DFGA O=C(N/N=C\c1cccc([N+](=O)[O-])c1)c1ccc2ccccc2n1 32633784 FYEJASDDYHPQOJ-WQRHYEAKSA-N 320.308 2.907 50 50 DFGA Cn1nc(C(F)(F)F)cc1CN(C(=O)CCl)C1CCCC1 1875381852 JJXWUMWCAVILEN-UHFFFAOYSA-N 323.746 2.949 50 50 DFGA C[C@H](Cl)C(=O)NC[C@H]1CCCC[C@H]1OCC(F)(F)F 1875364660 PPSDRRKXICWDDR-IVZWLZJFSA-N 301.736 2.868 50 50 DFGA CC[C@H](Br)C(=O)Nc1cc(OC)cc(OC)c1 32919949 DZRDLYBJLSXFMK-NSHDSACASA-N 302.168 2.816 50 50 DFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(C)ccc1C 285987 UEUGLVACTIQUAQ-MRXNPFEDSA-N 312.369 2.948 50 50 DFGA O=C(N/N=C/c1cc2c(cc1Cl)OCO2)c1cccc(F)c1 4992170 DSRGTABUKQYFBX-CNHKJKLMSA-N 320.707 2.972 50 50 DFGA CC(C)Oc1cccc(/C=N/NC(=O)c2cc(O)ccc2O)c1 13321356 KZEPZUNAPIJCOT-VCHYOVAHSA-N 314.341 2.649 50 50 DFGA COC(=O)[C@@H](CCCCBr)NC(=O)OC(C)(C)C 137532173 IIUYOGFESPTJLQ-SECBINFHSA-N 324.215 2.618 50 50 DFGA Cc1occc1C(=O)N/N=C/c1cc(Br)ccc1O 251608 UXNPVZDVSOVIFW-VIZOYTHASA-N 323.146 2.820 50 50 DFGA C[C@H](Br)C(=O)NC1=C(C#N)[C@@H]2CCC[C@H]2S1 239309892 HWZYDWHXBXTAKG-ACLDMZEESA-N 301.209 2.537 50 50 DFGA CC(C)(C)OC(=O)N1CCC[C@H](C(=O)CBr)C1 77028130 FTDGLGFKVKVHTE-VIFPVBQESA-N 306.200 2.598 50 50 DFGA in-vitro Cc1ccc(-c2cc(C(=O)N/N=C/c3ccncc3)[nH]n2)s1 1258175 WZHSVZHJUQZGTC-RQZCQDPDSA-N 311.370 2.606 50 50 DFGA CC1CCN(CCC(=O)N/N=C/c2c[nH]c3ccccc23)CC1 257811 HGWLZPKTTCUXOV-DEDYPNTBSA-N 312.417 2.740 50 50 DFGA CCOc1ccc(/C=N/NC(=O)c2cc(C(C)C)n[nH]2)cc1 5686476 DOZBLLPPHCBKKM-LICLKQGHSA-N 300.362 2.696 50 50 DFGA CC(=O)N1CCC(N(C(=O)[C@H](C)Cl)c2ccccc2)CC1 1875364730 RXHYUJLWSANPCI-LBPRGKRZSA-N 308.809 2.658 50 50 DFGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(N(C)C)cc1 242464 WTJPIQUWDJKRLU-GTNSWQLSSA-N 323.396 2.813 50 50 DFGA C[C@@H](Cl)C(=O)N1CCN(c2nc3ccccc3s2)CC1 1875363619 MUCQIYSZUNIQFC-SNVBAGLBSA-N 309.822 2.572 50 50 DFGA CC(C)(CC(=O)NCCSSCCC(=O)O)C1CC1 1875388862 SUKSYQVRFZCBQA-UHFFFAOYSA-N 305.465 2.785 50 50 DFGA CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)NN 276163 UBCCIEFULPTPJD-NSHDSACASA-N 323.190 2.750 50 50 DFGA COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccco3)n[nH]2)cc1 19833511 JDOCRZYGKYYOMM-WOJGMQOQSA-N 324.340 2.832 50 50 DFGA COc1cc(CN(C(=O)CCl)[C@@H]2CCCOC2)ccc1C 1875382408 ZTSDHGABYPXOPS-CQSZACIVSA-N 311.809 2.750 50 50 DFGA COc1ccccc1OCC(=O)N/N=C/c1ccc(C)cc1C 435900 PEWWKUYSGWPINJ-YBFXNURJSA-N 312.369 2.841 50 50 DFGA Cc1c(Cl)ccc2c1NC(=O)/C2=N\NC(=O)OC(C)(C)C 17032046 OJYUFEFABXJOAX-UHFFFAOYSA-N 309.753 2.829 50 50 DFGA Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2)c1 3008905 KNTQLTSSFVPIDA-VCHYOVAHSA-N 315.760 2.737 50 50 DFGA Cc1n[nH]c2c1[C@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 6812817 ZHAUYBPUIRSSKO-OAHLLOKOSA-N 310.357 2.724 50 50 DFGA CCOC(=O)C1=C(N)OC(CCl)=C(C#N)[C@H]1c1ccsc1 370228 OJSXQXBMBDLIOV-LLVKDONJSA-N 324.789 2.612 50 50 DFGA C[C@@H](NC(=O)/C(C#N)=C/c1ccc(O)c(O)c1)c1ccccc1 3871437 UMGQVUWXNOJOSJ-KMHUVPDISA-N 308.337 2.882 50 50 DFGA in-vitro CC(C)(C)c1ccc(/C=N/NC(=O)c2n[nH]c3c2CCC3)cc1 4517986 FOPYNUUOVLIUEF-YBFXNURJSA-N 310.401 2.960 50 50 DFGA CC1=C(C#N)C[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1 1857526218 ZWBLOTGHRFMBRY-LLVKDONJSA-N 317.776 2.911 50 50 DFGA O=C(c1cc2ncc(CCCl)cn2n1)N1CCCCCC1 374085 CVNXOFJPQYVSTQ-UHFFFAOYSA-N 306.797 2.527 50 50 DFGA CC(C)(C)OC(=O)N1CC[C@H](CI)C1 38530302 DNUFVBGZKFHSDQ-MRVPVSSYSA-N 311.163 2.678 50 50 DFGA in-vitro CCOC(=O)C[C@@H](NC(=O)CCl)c1ccccc1Cl 1348802619 YFAHPRHPOSDRKU-LLVKDONJSA-N 304.173 2.689 50 50 DFGA O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1cccc2cc[nH]c12 32678367 HOCVLMLSRSMKIY-ZDLGFXPLSA-N 308.297 2.840 50 50 DFGA O=C(O)CCSSCCNC(=O)[C@@]12CCCC[C@H]1C2 1875388532 FSOHZPGDODDFGF-GXFFZTMASA-N 303.449 2.539 50 50 DFGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1n[nH]c2c1CCC2 32455560 DXALFAYOYMDQMC-VXLYETTFSA-N 320.352 2.521 50 50 DFGA O=S1(=O)C[C@]23CCCC[C@]2(C=C[C@H](Br)C3)C1 101037937 SEEZTZCGPVJVIE-SDDRHHMPSA-N 305.237 2.685 50 50 DFGA O=C(COc1ccccc1Cl)N/N=C/c1ccc(O)cc1 566482 BNZFLYMEWNWFIU-RQZCQDPDSA-N 304.733 2.575 50 50 DFGA Cc1ccc(SCC(=O)NNC(=O)C2CCCCC2)cc1 615783 HEZQHHAGTNFLMM-UHFFFAOYSA-N 306.431 2.815 50 50 DFGA Cc1ccc(S(=O)(=O)N(C)C(C#N)=C(Cl)Cl)cc1 369120 WMSOSXKCTRJHAI-UHFFFAOYSA-N 305.186 2.786 50 50 DFGA Cc1occc1C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 232382 CYAJISAGHCQDHC-VIZOYTHASA-N 307.693 2.914 50 50 DFGA COc1ccccc1C(=O)NNC(=O)Nc1c(C)cccc1C 2167416 FQQRGLPRTMVPHJ-UHFFFAOYSA-N 313.357 2.779 50 50 DFGA Cc1cc(C)cc(OCC(=O)NNC(=O)Nc2ccccc2)c1 491589 CLNCPLMQASKHCD-UHFFFAOYSA-N 313.357 2.535 50 50 DFGA Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)NC[C@@H]1CCCO1 247407 PRRRJWKIQQGFCY-SSUFTNFISA-N 309.369 2.679 50 50 DFGA Cc1cc2c(c(=O)o1)[C@H](c1sccc1C)C(C#N)=C(N)O2 293375 KZORLJGPNUQHJY-LLVKDONJSA-N 300.339 2.536 50 50 DFGA O=C(NNc1ncccc1C(F)(F)F)c1ccc2cc[nH]c2n1 782853944 OYFMOMNUUDYMME-UHFFFAOYSA-N 321.262 2.734 50 50 DFGA C[C@@H](Cl)C(=O)N1CCC(NC(=O)CC2CCCCC2)CC1 1875364047 HQRIYSZASDEGFH-GFCCVEGCSA-N 314.857 2.691 50 50 DFGA COc1cc(/C=N/NC(=O)c2ccc3ccccc3n2)ccc1O 303401 MPJYILHNJOOTDP-YBFXNURJSA-N 321.336 2.713 50 50 DFGA Cc1nnsc1C(=O)N/N=C/c1[nH]c2ccccc2c1Cl 5792566 ZDWLBFOTKLQQSC-GIDUJCDVSA-N 319.777 2.745 50 50 DFGA CC1(C)OC[C@H](NC(=O)C(Cl)Cl)[C@H](c2ccccc2)O1 101357728 PTLGVCWSCPCPDZ-QWRGUYRKSA-N 318.200 2.799 50 50 DFGA NNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 135521 BDEDMIFFOPJQDG-UHFFFAOYSA-N 301.129 2.769 50 50 DFGA COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2nccs2)c1 6490576 JECJMWNFJCZNKA-YRNVUSSQSA-N 315.354 2.706 50 50 DFGA CC[C@H](Br)C(=O)N(CCCOC)Cc1ccco1 32919938 SCXFQCMOLMSCPL-LBPRGKRZSA-N 318.211 2.818 50 50 DFGA C/C(=N\NC(=O)c1cc(-c2ccc(C)o2)n[nH]1)c1ccccc1O 12462510 MUFPTFQTMBFSIE-WOJGMQOQSA-N 324.340 2.838 50 50 DFGA CC[C@@H]1Oc2cc([C@@H](C)NC(=O)[C@H](C)Cl)ccc2NC1=O 1875364319 NSRROFZMLTUMTJ-SBMIAAHKSA-N 310.781 2.601 50 50 DFGA CCc1ccc(OC(=O)NC(=O)CCBr)cc1 2973398 VUVDBTWBCUATNU-UHFFFAOYSA-N 300.152 2.649 50 50 DFGA COc1ccccc1/C=N/NC(=O)COc1cc(C)ccc1C 566509 UXHHHFZQTLSLCJ-YBFXNURJSA-N 312.369 2.841 50 50 DFGA Cc1cc(C)c(NC(=O)[C@@]2(C)C[C@@H]2Br)cc1CO 864058711 UUJACMHAHXXZHG-JSGCOSHPSA-N 312.207 2.908 50 50 DFGA NNC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccccc2)C1 169803625 RNKFNHBXYAGCLE-OAHLLOKOSA-N 314.776 2.637 50 50 DFGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1Cl 81839 BARCBMOFNAAWDY-ZDUSSCGKSA-N 304.733 2.595 50 50 DFGA C/C(=N\NC(=O)CCC(=O)Nc1ccccc1)c1ccccc1 4989635 ALKNYIRGBHMWQZ-XSFVSMFZSA-N 309.369 2.946 50 50 DFGA COc1ccc(C(=O)NC(C#N)=C(Cl)Cl)cc1OC 1857799756 ZKUGSIKRVSBPEK-UHFFFAOYSA-N 301.129 2.604 50 50 DFGA Cc1nc(C)c(C(=O)NNc2ccc(OC(F)(F)F)cc2)o1 134283968 UMPAGIRVWWCOQI-UHFFFAOYSA-N 315.251 2.947 50 50 DFGA CCOC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(C)o1 5050152 USCADTZGEGAWNN-LCYFTJDESA-N 324.340 2.835 50 50 DFGA N#CC(C#N)=C/C=C/C=C/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 71769582 GRYDQKGGGCPSIE-WMWQKROPSA-N 311.257 2.958 50 50 DFGA O=C(CCl)N(Cc1ccns1)c1ccc2c(c1)OCCO2 1875376163 NPNPITJCCHFMEA-UHFFFAOYSA-N 324.789 2.686 50 50 DFGA O=C(/C=C/c1cnn(CCCl)c1)c1ccc(O)c([N+](=O)[O-])c1 136498706 BGCQCHDKPPXPBB-HNQUOIGGSA-N 321.720 2.632 50 50 DFGA COc1ccc(NC(=O)NNC(=O)c2ccc(C)c(C)c2)cc1 621533 AJOMUPOZPGDXAM-UHFFFAOYSA-N 313.357 2.779 50 50 DFGA O=C(NNC1=NCCCCCCCC1)c1ccc([N+](=O)[O-])cc1 3085983 BAXYXZYIGGXLGL-UHFFFAOYSA-N 318.377 2.972 50 50 DFGA C=CCc1cccc(/C=N/NC(=O)c2ccc3[nH]cnc3c2)c1O 522885 DGINVZUFCNYOKJ-UFFVCSGVSA-N 320.352 2.761 50 50 DFGA N#CC1=C(N)OC2=C(C(=O)O[C@@H]3C=CC=C[C@H]23)[C@H]1[C@H]1C=CCCC1 239433736 YJVGQMXEPONXHH-VIRABCJISA-N 322.364 2.605 50 50 DFGA CC[C@@H](Br)C(=O)Nc1ccc(OC)cc1OC 32920001 CXRQMNNMAFQPMF-SECBINFHSA-N 302.168 2.816 50 50 DFGA in-vitro CCc1n[nH]c2c1[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 4812828 RMLPERGEBFIADD-LBPRGKRZSA-N 300.749 2.844 50 50 DFGA N#C/C(=C(\c1ccco1)[C@@H](C#N)C=O)c1nc2ccccc2[nH]1 221527637 ZMVHLYWRIMRGTH-NRMVZKHRSA-N 302.293 2.929 50 50 DFGA CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)CBr)C1 77028136 FTDGLGFKVKVHTE-SECBINFHSA-N 306.200 2.598 50 50 DFGA in-vitro C[C@H]1CN(Cc2cccc(Cl)c2)CCN1C(=O)CCl 1875387211 UIWDEDSTMCQHLB-NSHDSACASA-N 301.217 2.612 50 50 DFGA CC(C)(C)[Si](OCC(=O)O)(c1ccccc1)c1ccccc1 169982738 AHVZUDBOTZUEOO-UHFFFAOYSA-N 314.457 2.648 50 50 DFGA COc1cccc(CN(C[C@@H]2CCCO2)C(=O)CCl)c1F 1875375980 LAQPKZPSQJHWAC-LBPRGKRZSA-N 315.772 2.581 50 50 DFGA COc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1Cl 437347 LCEBHRQXCWLNKE-BFERYNQYSA-N 318.760 2.532 50 50 DFGA C/C(=N\NC(=O)c1cc(C(C)C)n[nH]1)c1cccc([N+](=O)[O-])c1 9046333 ADMAXKADYOIGQI-MHWRWJLKSA-N 315.333 2.595 50 50 DFGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccncc2)[C@@H]2CCCC=C12 19818656 LYNQWMKXNJUABN-ZBFHGGJFSA-N 301.353 2.675 50 50 DFGA O=C(O)[C@H](Br)[C@H](Br)c1ccccc1 1705961 FXJWTHBNVZNQQP-HTQZYQBOSA-N 307.969 2.971 50 50 DFGA biogenic,in-vitro CC[C@H](NC(=O)[C@@H](C)Cl)[C@H](c1ccc(C)cc1)n1cncn1 1875378180 WRKVJIDOVGXWJM-SNPRPXQTSA-N 320.824 2.698 50 50 DFGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2)cc1Cl 3072783 PAZVJEIVDPPCON-VCHYOVAHSA-N 315.760 2.737 50 50 DFGA CN(CCBr)C(C)(C)C(=O)c1ccc(O)cc1 96027253 AVAFRZVUQWHATL-UHFFFAOYSA-N 300.196 2.680 50 50 DFGA C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1ccc(O)c(O)c1 585145770 AEJJEOHHXUPABQ-HSNXVVJJSA-N 300.358 2.700 50 50 DFGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(Cl)cc1 50128 IKPRFAJSDYYCRQ-CYBMUJFWSA-N 304.733 2.595 50 50 DFGA CCOC(=O)C(=O)[C@@H](Br)c1cccc(Cl)c1 261506811 BEBUIQSJKJIYOY-VIFPVBQESA-N 305.555 2.908 50 50 DFGA O=C(Cc1ccccc1)N/N=C/c1cc2c(cc1Cl)OCO2 218267 CJYFYOUPBJEKOR-GIJQJNRQSA-N 316.744 2.762 50 50 DFGA CCOc1cccc(-c2cc(C(=O)N/N=C/c3ccco3)[nH]n2)c1 230155 GCJQNNAPVZJVRT-WOJGMQOQSA-N 324.340 2.832 50 50 DFGA CCc1[nH]nc2c1[C@@H](c1c[nH]c3ccccc13)C(C#N)=C(N)O2 5130051 NRKYVUZXRLHHEB-CQSZACIVSA-N 305.341 2.672 50 50 DFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(C)s1 43739 VEZVROUIORUOSL-ZDUSSCGKSA-N 304.371 2.701 50 50 DFGA CC(C)c1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1 2892216 ZPUVQNJWODOVMY-FYJGNVAPSA-N 323.396 2.577 50 50 DFGA CCOC(=O)/C(C#N)=C\c1cc(Br)ccc1OC 4829481 MJEHPFMLBAQNRU-POHAHGRESA-N 310.147 2.928 50 50 DFGA O=C(CN1CCCCCCC1)N/N=C/c1ccc(F)c(F)c1 4990885 RZQHCEAUUAGCPM-YBFXNURJSA-N 309.360 2.681 50 50 DFGA CC(C)C[C@H]1[C@H]2CN(C(C)C)CC=C2C(C#N)=C(N)C1(C#N)C#N 34954509 CTXSUXDLHLQUJP-IRXDYDNUSA-N 323.444 2.699 50 50 DFGA O=S(=O)(NCc1ccccc1)c1ccc(N=C=S)cc1 17031097 GUJFGUZSUVLWEG-UHFFFAOYSA-N 304.396 2.899 50 50 DFGA N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc(O)cc1 4974057 GRVPLNXGNWRXNH-GHXNOFRVSA-N 308.293 2.667 50 50 DFGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(O)cc(O)c1 6660259 FFGZVVIOYGYECN-VXLYETTFSA-N 322.320 2.721 50 50 DFGA COc1ccc(C(F)(F)F)cc1N/C=C(\C#N)C(N)=S 101152356 RDNRSMWHANGYEM-VOTSOKGWSA-N 301.293 2.819 50 50 DFGA O=C(N/N=C/c1ccc(O)c(O)c1)c1cc2ccccc2cc1O 96084 SYNDQCRDGGCQRZ-VXLYETTFSA-N 322.320 2.721 50 50 DFGA in-vitro COc1cccc(C(=O)NNC(=O)c2cccc3ccccc23)c1 1569537 MMJQUHDGIXJLMO-UHFFFAOYSA-N 320.348 2.923 50 50 DFGA CC(C)(C)[Si](C)(C)Oc1ccc(B(O)O)c(F)c1Cl 216700985 XNAVSQMUJDLNSD-UHFFFAOYSA-N 304.630 2.543 50 50 DFGA COc1cccc(/C=N/NC(=O)COc2cccc(Cl)c2)c1 286405 FVMSHYHMOBSIHD-VCHYOVAHSA-N 318.760 2.878 50 50 DFGA COc1ccccc1-c1cc(C(=O)N/N=C/c2ccccc2)[nH]n1 9123545 WFHWOLLSZRTRFF-XDHOZWIPSA-N 320.352 2.849 50 50 DFGA O=C1O[C@H]2C[C@@]34CCCC[C@]3(C[C@@H]2I)[C@@H]14 254854574 PEFIJDLONBYQKX-DDLVRULKSA-N 318.154 2.686 50 50 DFGA O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccccc1 186306 KDKVPKLISZJNRH-LICLKQGHSA-N 310.382 2.805 50 50 DFGA O=C(N/N=C/c1cccc2cccnc12)c1ccc2c(c1)OCO2 434798 HBKQAIOVRCZGPQ-KEBDBYFISA-N 319.320 2.727 50 50 DFGA CCOc1ccccc1NC(=O)NNC(=O)c1ccccc1F 610319 PXJOBMWMDQOEBZ-UHFFFAOYSA-N 317.320 2.691 50 50 DFGA N#Cc1nccnc1Oc1ccc(NC(=O)[C@@H](F)Cl)cc1 2325897762 HRXINJFIDZAKAK-LLVKDONJSA-N 306.684 2.613 50 50 DFGA CNc1ccccc1C(=O)NNC(=O)Nc1cc(C)cc(C)c1 2167320 GQEMVBXZGNCZRE-UHFFFAOYSA-N 312.373 2.812 50 50 DFGA N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@H]1c1ccoc1 4014716 NNCIFKNQFUWHCL-NSHDSACASA-N 310.338 2.949 50 50 DFGA O=C(O)[C@H](Cl)C12CC3CC(C1)CC([C@@H](Cl)C(=O)O)(C3)C2 4782593 QHAWOQDUTATKSV-OHNFWFCESA-N 321.200 2.957 50 50 DFGA C/C(=N\NC(=O)c1cc(C(C)C)n[nH]1)c1ccc([N+](=O)[O-])cc1 4311695 MXERTTLDXJMJOM-MHWRWJLKSA-N 315.333 2.595 50 50 DFGA COc1ccc(Oc2cc(CNC(=O)CCl)ccn2)cc1 1320466535 JRXPKDYFUPTJOR-UHFFFAOYSA-N 306.749 2.738 50 50 DFGA C[C@H](Cl)C(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)CC1 1875380225 IUQHVVDQJYJCOY-RYUDHWBXSA-N 303.830 2.974 50 50 DFGA CC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1 2560847 RCWVQAPDWRVKHZ-LBPRGKRZSA-N 324.333 2.804 50 50 DFGA CCOC(=O)/C(C#N)=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 49125 AHFWPBLOJAGIMJ-ZRDIBKRKSA-N 311.297 2.856 50 50 DFGA CCOc1ccc(/C=N/NC(=O)c2cc(-c3ccco3)n[nH]2)cc1 5297590 BCPSTLBDDIUEQW-WOJGMQOQSA-N 324.340 2.832 50 50 DFGA COc1ccc(/C=N/NC(=O)OC(C)(C)C)c(OC)c1OC 1639829 QRUPTWVRAOMUBB-CXUHLZMHSA-N 310.350 2.571 50 50 DFGA Cc1ccc(OCC(=O)N/N=C/c2ccc(C)cc2O)c(C)c1 274261 CXVSKTBUCOIFEC-VXLYETTFSA-N 312.369 2.847 50 50 DFGA COc1cc(/C=N/NC(=O)OC(C)(C)C)cc(OC)c1OC 1610344 PPRQAZQGUADBHP-CXUHLZMHSA-N 310.350 2.571 50 50 DFGA COc1ccc(/C=N/NC(=O)C2[C@@H]3CCCC[C@@H]23)c(OC)c1 100381930 GQVZIQXHUKCTKJ-DTVMNVQKSA-N 302.374 2.590 50 50 DFGA CCc1[nH]nc2c1[C@@H](c1ccc(Cl)s1)C(C#N)=C(N)O2 5130132 ODHHVXMHAKYRBB-SNVBAGLBSA-N 306.778 2.905 50 50 DFGA CCCc1n[nH]c2c1[C@@H](c1ccc(OC)cc1)C(C#N)=C(N)O2 18123201 URAPRSKLNQXRQA-AWEZNQCLSA-N 310.357 2.589 50 50 DFGA C[C@@H](NC(=O)CCl)[C@@H](c1ccccc1Cl)n1cccn1 1875377751 MTIXACSUUAKMTC-YGRLFVJLSA-N 312.200 2.869 50 50 DFGA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NN=C1CCCCC1 4372877 UEJKWZQNJYENMY-LLVKDONJSA-N 305.334 2.798 50 50 DFGA N#C/C(=C\c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 2574823 HVWWVMVGGXJMBU-RIYZIHGNSA-N 313.334 2.754 50 50 DFGA CC(C)c1ccc(/C=N/NC(=O)Cn2nnc3ccccc32)cc1 124477 RNHPDZFYFLHVRI-YBFXNURJSA-N 321.384 2.705 50 50 DFGA COc1ccc(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)c(OC)c1 100334245 ABXNPFIDBFQMEO-RXONHTAESA-N 316.401 2.980 50 50 DFGA Cc1c(Cl)ccc2c1NC(=O)/C2=N\NC(=O)C1CCCC1 17031258 WJZCKOOVHOXGOW-UHFFFAOYSA-N 305.765 2.611 50 50 DFGA CCCc1ccc(OCC(=O)N/N=C/c2ccccc2O)cc1 3152082 UNMFDIFMYJZBGL-XDHOZWIPSA-N 312.369 2.874 50 50 DFGA CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)C(C)(C)CCO 238180525 MUYNECHQACCTHK-UHFFFAOYSA-N 318.414 2.824 50 50 DFGA CC(C)c1nnc([C@H]2CC23CCN(C(=O)[C@H](C)Cl)CC3)o1 1875363545 IMSXDZQWDAWTEY-WDEREUQCSA-N 311.813 2.916 50 50 DFGA O=C(CCl)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1320465916 RDRKUGXIRHYABP-SNVBAGLBSA-N 318.751 2.612 50 50 DFGA C[C@@H](Cl)C(=O)N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1875380156 GOIQCZLKIBDSGW-ZJUUUORDSA-N 316.854 2.968 50 50 DFGA C[C@@H](Cl)C(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1 1875364575 OCHUFYDYTSSYHP-ZWNOBZJWSA-N 312.200 2.869 50 50 DFGA C[C@@H](Cl)C(=O)N1CCN(Cc2ccc3ccccc3n2)CC1 1875376144 NHVPEPOYIQVBAQ-CYBMUJFWSA-N 317.820 2.506 50 50 DFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccc(Cl)c1 242315 SUPIQLIJMZTXPT-CQSZACIVSA-N 318.760 2.985 50 50 DFGA O=C(NNC(=S)Nc1ccc(F)cc1)[C@H]1[C@H]2CCCC[C@H]21 245329141 XRGUJHZJKWLVAC-CLLJXQQHSA-N 307.394 2.580 50 50 DFGA CCOc1ccc(NC(=O)NNC(=O)Cc2cccs2)cc1 611084 QMAJMPWHFQYIQW-UHFFFAOYSA-N 319.386 2.542 50 50 DFGA CCOC(=O)C1=C(CCl)N(CC)C(=O)N[C@H]1c1ccccc1 2552471 AAMSFRFHUPQLEG-AWEZNQCLSA-N 322.792 2.829 50 50 DFGA CCOc1ccccc1/C=N/NC(=O)c1cc(C(C)(C)C)n[nH]1 5686533 JEDHRJAJOMOFLT-WOJGMQOQSA-N 314.389 2.870 50 50 DFGA O=C(N/N=C/c1ccc([N+](=O)[O-])s1)[C@H]1C[C@H]1c1ccccc1 4473268 ZZFBKPNIYDINKF-CSBKXELUSA-N 315.354 2.910 50 50 DFGA CC1=C(C(=O)OC(C)C)[C@H](c2cccs2)C(C#N)=C(N)O1 77693 YSHBXMWXQRWUHD-ZDUSSCGKSA-N 304.371 2.781 50 50 DFGA C[C@](Cl)(CSSC[C@](C)(Cl)C(=O)O)C(=O)O 2895844 AFEWQUDVTFBYEY-YUMQZZPRSA-N 307.220 2.532 50 50 DFGA CCOC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)CCl 3104938 ZWFKVESIJKSTFO-ZDUSSCGKSA-N 311.809 2.542 50 50 DFGA CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1ccc(CC)cc1 57509053 CTMUXMVTGSEMIO-CQSZACIVSA-N 322.792 2.659 50 50 DFGA CCCC(=O)NNC(=S)Nc1ccc(Br)cc1 6389010 LZXOKWUJZMPFJK-UHFFFAOYSA-N 316.224 2.567 50 50 DFGA [N-]=[N+]=NCc1cc(C2CCN(C(=O)[C@@H](F)Cl)CC2)no1 2325878095 DMRCLTCSAUYGAG-SNVBAGLBSA-N 301.709 2.725 50 50 DFGA O=C(N/N=C/c1ccccc1)C(=O)Nc1cccc2ccccc12 2571818 BYAFDWYQPSXKQR-DEDYPNTBSA-N 317.348 2.929 50 50 DFGA O=C(CCBr)NC(=O)Oc1cccc2cccnc12 22341359 FUVXFRCHPIRGSW-UHFFFAOYSA-N 323.146 2.635 50 50 DFGA C=CCSC1=C(C#N)[C@@H](c2ccc(O)c(OC)c2)CC(=O)N1 8995336 XCLWFUBJNVCEGX-LLVKDONJSA-N 316.382 2.659 50 50 DFGA C[C@]1(CBr)Cn2c(nc3ccccc3c2=O)S1 46524 BOPVNEYZQLVZQR-LBPRGKRZSA-N 311.204 2.656 50 50 DFGA C[C@@H]1CN(C(=O)c2ccc(NC(=O)[C@@H](C)Cl)cc2)C[C@@H](C)O1 1875364267 KFRQOUZNMFFZBW-IJLUTSLNSA-N 324.808 2.502 50 50 DFGA C/C(=N\NC(=O)c1cc(-c2cccs2)n[nH]1)c1ccco1 5296790 HFZPJOLHHKLIPW-OQLLNIDSSA-N 300.343 2.885 50 50 DFGA O=C(N/N=C/c1cccc(Br)c1)c1ccc(O)cc1 127298 HCSNYUNNSTVNFJ-CXUHLZMHSA-N 319.158 2.919 50 50 DFGA O=C(N/N=C/c1ccc2cccnc2c1)c1cccc([N+](=O)[O-])c1 13234572 BBLAAQOHIOIIGV-YBFXNURJSA-N 320.308 2.907 50 50 DFGA COc1cccc(/C=N\NC(=O)c2ccc(Cl)s2)c1O 5676361 HNXDEQHCNNDXGR-CHHVJCJISA-N 310.762 2.880 50 50 DFGA CCO[C@H]1C[C@H]2[C@H](Cl)[C@H]1NC2(C(F)(F)F)C(F)(F)F 245238501 RSEPZTQGKVOSMQ-AXMZGBSTSA-N 311.653 2.854 50 50 DFGA COC(=O)C[C@H](NC(=O)CCl)c1ccc2ccccc2c1 1616033173 MILAXJIEQMYNIK-AWEZNQCLSA-N 305.761 2.799 50 50 DFGA COc1ccc(/C=N/NC(=O)[C@H]2C[C@H]2c2ccccc2)cc1OC 4949216 FBSONPVFIVRBFO-BXRKRMDBSA-N 324.380 2.958 50 50 DFGA COc1cc(/C=N/NC(=O)Cc2c[nH]c3ccccc23)ccc1O 291305 DGPCTIGLSXKPIN-KEBDBYFISA-N 323.352 2.575 50 50 DFGA COc1ccc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1OC 4949210 FBSONPVFIVRBFO-QZZQKYANSA-N 324.380 2.958 50 50 DFGA Cc1ccc2c(c1)/C(=N\NC(=O)c1ccccc1Cl)C(=O)N2 6672720 QVSNRQPEWFVDNW-UHFFFAOYSA-N 313.744 2.735 50 50 DFGA Cc1occc1C(=O)NNC(=S)NCc1ccc(Cl)cc1 13497570 KLEFIVDSXKWDHZ-UHFFFAOYSA-N 323.805 2.551 50 50 DFGA C/C(=N\NC(=O)Cn1c(C)nc2ccccc21)c1ccccc1 5318845 WILLANCNRBHZGO-DEDYPNTBSA-N 306.369 2.885 50 50 DFGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(O)cc1 2273567 FWLJJUOQZANESF-HNNXBMFYSA-N 310.353 2.843 50 50 DFGA COc1ccc(/C(C)=N/NC(=O)c2ccc3nc[nH]c3c2)cc1 4937134 UKRAOULHGGRFJS-RGVLZGJSSA-N 308.341 2.726 50 50 DFGA O=C(NNC(=O)c1cccnc1)Nc1cccc2ccccc12 1002543 KNOCTBUPCSJJKJ-UHFFFAOYSA-N 306.325 2.701 50 50 DFGA COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2OC)ccc1O 539890 LPRNSXCFKIPQAJ-UKTHLTGXSA-N 324.336 2.955 50 50 DFGA C[C@H](Cl)C(=O)NC[C@H]1CCCC[C@@H]1OCC(F)(F)F 1875364658 PPSDRRKXICWDDR-AEJSXWLSSA-N 301.736 2.868 50 50 DFGA O=C(CCl)NCc1nc2cc(Br)ccc2s1 1875375016 OBABACODTMAIKO-UHFFFAOYSA-N 319.611 2.914 50 50 DFGA CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(CC)c21 4599898 GMTHOXWTXWHIRE-AWEZNQCLSA-N 310.357 2.589 50 50 DFGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(O)cc1 281230 FWLJJUOQZANESF-OAHLLOKOSA-N 310.353 2.843 50 50 DFGA CC(C)(C)c1cc(C(=O)N/N=C/c2c[nH]c3ccccc23)[nH]n1 44022 RPJMMKPUYBLWOV-VXLYETTFSA-N 309.373 2.952 50 50 DFGA C[C@@](Br)([C@H](Br)C(=O)O)C(F)(F)F 8698412 VXYLFCNIZVCLAV-VVJJHMBFSA-N 313.895 2.550 50 50 DFGA O=S1(=O)C[C@]23C=C[C@H](Br)C[C@@]2(CCCC3)C1 254512747 SEEZTZCGPVJVIE-SRVKXCTJSA-N 305.237 2.685 50 50 DFGA O=C(COc1ccc(Cl)cc1)N/N=C/c1cccc(O)c1 435778 NXSONABIEADQDJ-RQZCQDPDSA-N 304.733 2.575 50 50 DFGA CCOc1ccc(C(=O)NNC(=O)c2ccccc2)cc1Cl 1074709 VJKDKWMOSMFREQ-UHFFFAOYSA-N 318.760 2.814 50 50 DFGA N#C/C(=C\c1csc2ccccc12)S(=O)(=O)NC1CC1 170605430 JXCZTIIRUQMJJV-KPKJPENVSA-N 304.396 2.848 50 50 DFGA CCC/C(=N\NC(=O)NCC1CC1)c1cccc([N+](=O)[O-])c1 222150504 BRTBMTFKRBFGDV-SAPNQHFASA-N 304.350 2.808 50 50 DFGA N#CC1=C(N)Oc2[nH]nc(C(F)(F)F)c2[C@H]1c1ccc(F)cc1 76393 CPEWKYOPLDOAFV-VIFPVBQESA-N 324.237 2.786 50 50 DFGA CC(/C=N/NC(=O)Cn1nnc2ccccc21)=C\c1ccccc1 19321830 YGYCUIUFZFEBMM-UFTLPMNOSA-N 319.368 2.637 50 50 DFGA ICCCC#CCO[C@H]1CCCCO1 222018468 KKJUZXSBFRXLBD-LLVKDONJSA-N 308.159 2.748 50 50 DFGA O=C(N/N=C\c1ccccc1)c1cncc(Br)c1 32666331 QPOJFQGFXWNEPX-APSNUPSMSA-N 304.147 2.608 50 50 DFGA COc1cccc(/C=N/NC(=O)COc2ccc(Cl)cc2)c1 524099 FUWIOCINLHVYHB-VCHYOVAHSA-N 318.760 2.878 50 50 DFGA COc1ccc(/C=N/NC(=O)c2cccc(F)c2)c(OC)c1 298678 MDCZZBXVVNVPRS-VCHYOVAHSA-N 302.305 2.607 50 50 DFGA O=C(COc1ccccc1Cl)N/N=C/c1ccccc1O 566548 GNYAEMMQJLLNTN-RQZCQDPDSA-N 304.733 2.575 50 50 DFGA CCOC(=O)[C@@H](C)P(=O)(c1ccccc1)c1ccccc1 296816 FEJDPJNKKUROSE-CQSZACIVSA-N 302.310 2.952 50 50 DFGA C[C@@](Cl)(CSSC[C@@](C)(Cl)C(=O)O)C(=O)O 2895845 AFEWQUDVTFBYEY-HTQZYQBOSA-N 307.220 2.532 50 50 DFGA Cc1nn(C)c(C(=O)N/N=C/c2ccc(Cl)s2)c1Cl 17054146 LIUXJTHOOQMDMO-LHHJGKSTSA-N 317.201 2.861 50 50 DFGA COc1ccc(/C(C)=N/NC(=O)CCc2c(C)n[nH]c2C)cc1 229561 OJIHEEJYPGOKKD-WOJGMQOQSA-N 314.389 2.508 50 50 DFGA O=C(Cc1ccc(-c2ccccc2)cc1)NNC(=O)c1ccco1 434902 ARTWVHWRDPVBBZ-UHFFFAOYSA-N 320.348 2.950 50 50 DFGA COc1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1 566452 UDDJJBJQGVVJGJ-VCHYOVAHSA-N 318.760 2.878 50 50 DFGA O=C(NNC(=O)c1cccc(Br)c1)c1ccccc1 142950 PUNMNEKYOYAYSP-UHFFFAOYSA-N 319.158 2.524 50 50 DFGA CCCCCCCC(=O)NNC(=O)c1ccc(NC(C)=O)cc1 2755964 JQKKJMDSOCUIIW-UHFFFAOYSA-N 319.405 2.767 50 50 DFGA Nc1nc(CCl)nc(Nc2ccc(Br)cc2)n1 310521769 UPNLIORDHFMMMQ-UHFFFAOYSA-N 314.574 2.699 50 50 DFGA C[C@@H](Cl)C(=O)Nc1ccc(I)cc1 2582446 BHBRUZQSWNMSKJ-ZCFIWIBFSA-N 309.534 2.857 50 50 DFGA COc1cccc(/C=N/NC(=O)c2c[nH]c3ccccc23)c1O 318113 QXCIWVXZYPBNIM-DJKKODMXSA-N 309.325 2.646 50 50 DFGA CCOc1ccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 238837 QSRNHJSEZACQMU-GZTJUZNOSA-N 313.313 2.757 50 50 DFGA Cc1cc(C)nc(SCC(=O)N/N=C\c2sccc2C)n1 5010157 ACCYXZRLZXXUDX-CHHVJCJISA-N 320.443 2.706 50 50 DFGA COc1ccc(NNC(=O)C2(c3cccc(Cl)c3)CC2)nc1 159221549 BJIQCHOHUUULSR-UHFFFAOYSA-N 317.776 2.919 50 50 DFGA Cc1[nH]nc2c1[C@@H](c1c(O)ccc3ccccc13)C(C#N)=C(N)O2 4237607 DFTOBTKXBBLOHK-INIZCTEOSA-N 318.336 2.795 50 50 DFGA in-vitro COc1cccc(/C=N/NC(=O)[C@@H]2C[C@H]2c2ccccc2)c1O 4956746 GWUPTQBVAQQNSD-RBXCXTNXSA-N 310.353 2.655 50 50 DFGA Cc1ccc(NC(=O)NNC(=O)[C@H]2C[C@H]2c2ccccc2)cc1 371544 NMCCLXMJUGFITQ-HOTGVXAUSA-N 309.369 2.951 50 50 DFGA C[C@H](Cl)C(=O)N1C[C@@H](C(F)(F)F)O[C@H](C2CCCC2)C1 1875376265 QMCYXRLBUCMBDL-LSJOCFKGSA-N 313.747 2.962 50 50 DFGA O=C(N/N=C/c1cccc(O)c1)c1cc(-c2ccccc2)n[nH]1 9046627 RZKHJLDZQAJUDI-WOJGMQOQSA-N 306.325 2.546 50 50 DFGA O=C(N/N=C/c1c(F)cccc1Cl)c1ccc(O)cc1O 253268 CJAYOAGVBQYLGI-REZTVBANSA-N 308.696 2.654 50 50 DFGA COc1cccc(/C=N/NC(=O)c2cccc(Cl)c2)c1O 256908 ZHCBDJHZLPREGB-RQZCQDPDSA-N 304.733 2.818 50 50 DFGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccncc2)[C@H]2CCCC=C12 19818651 LYNQWMKXNJUABN-GOEBONIOSA-N 301.353 2.675 50 50 DFGA C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(O)cc1 93712 QRERZNXMAUVQGT-HPAYWCODSA-N 318.760 2.963 50 50 DFGA N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1cccs1 182729 VCFWANJYTCYKEC-CYBMUJFWSA-N 321.361 2.808 50 50 DFGA O=C(OCc1ccccc1)[C@@H](Br)CBr 4202597 DEBQVGQAJKITBG-VIFPVBQESA-N 321.996 2.888 50 50 DFGA CCCC(=O)NNC(=S)Nc1ccccc1C(F)(F)F 6389184 ZEEJCQJNUMLENI-UHFFFAOYSA-N 305.325 2.823 50 50 DFGA O=C(N/N=C/c1ccc(O)cc1)c1cc(-c2cccs2)n[nH]1 229638 RFKGKGXPKBPHBT-CXUHLZMHSA-N 312.354 2.608 50 50 DFGA O=CC1=C(c2ccc(Br)cc2)N2CCN=C2S1 14007871 VTPZUJMJQSIVLZ-UHFFFAOYSA-N 309.188 2.735 50 50 DFGA CCOc1ccc(/C=N/NC(=O)c2cccs2)cc1OC 232463 IUSKYNFEGASGOY-MHWRWJLKSA-N 304.371 2.919 50 50 DFGA CN(C)CCOCCP(=O)(c1ccccc1)c1ccccc1 2300346 QWYJHQBZZQGYDL-UHFFFAOYSA-N 317.369 2.579 50 50 DFGA CCOc1ccccc1/C=N/NC(=O)COc1ccccc1C 584658 CPXVFNPSHJXQJW-XDHOZWIPSA-N 312.369 2.923 50 50 DFGA N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc(F)ccc1F 65362312 USFBOVHLQWGLEF-HNNXBMFYSA-N 300.264 2.889 50 50 DFGA C/C(=N\NC(=O)c1cccc(C)c1O)c1ccc([N+](=O)[O-])cc1 17052342 LWFZRDDZXROYIU-GZTJUZNOSA-N 313.313 2.763 50 50 DFGA C[C@@H](Cl)C(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)CC1 1875380226 IUQHVVDQJYJCOY-VXGBXAGGSA-N 303.830 2.974 50 50 DFGA C[C@H](Cl)C(=O)N1C[C@@H](C2CCCC2)O[C@@H](C(F)(F)F)C1 1875376263 QMCYXRLBUCMBDL-INTQDDNPSA-N 313.747 2.962 50 50 DFGA O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cccs1 186328 OHKQORGREDOYMH-OVCLIPMQSA-N 316.411 2.867 50 50 DFGA CCOc1ccccc1/C=N/NC(=O)COc1ccc(C)cc1 584649 VGMPAVBUELFYHF-XDHOZWIPSA-N 312.369 2.923 50 50 DFGA CC/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1 12384052 FQPSMDGZMJUNHB-BMRADRMJSA-N 313.313 2.845 50 50 DFGA O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc(=O)c2ccccc2o1 472636 ZQMFJJIVDJOCQG-UHFFFAOYSA-N 311.249 2.920 50 50 DFGA O=C(CBr)c1ccc([N+](=O)[O-])c(Br)c1 196381229 XWPGTESBZDAVHX-UHFFFAOYSA-N 322.940 2.935 50 50 DFGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 245226768 KPAJWYDGZZITBI-VQXPOJFPSA-N 301.346 2.871 50 50 DFGA O=C(O)C12C[C@@H]3CC(C[C@H](C3)C1)[C@H]2I 138650961 HZXLRVWAEPTHFW-PHKAARJASA-N 306.143 2.701 50 50 DFGA O=C(N/N=C/c1c(O)ccc2ccccc12)[C@H](O)c1ccccc1 436907 GOQUJXHLVQVSOE-BAOGCXAUSA-N 320.348 2.729 50 50 DFGA O=C(N/N=C/c1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 3152696 BQLGZZBQSLLELQ-GIJQJNRQSA-N 319.723 2.568 50 50 DFGA COc1ccccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(C(C)(C)C)c21 3998300 PKDGUQTVEJBFLT-ZDUSSCGKSA-N 324.384 2.934 50 50 DFGA COCc1nc(CNC(=O)CCl)c(-c2ccccc2)s1 1875375127 RTABDCWVJMYMIL-UHFFFAOYSA-N 310.806 2.812 50 50 DFGA C[C@@]1(CBr)Cn2c(nc3ccccc3c2=O)S1 46523 BOPVNEYZQLVZQR-GFCCVEGCSA-N 311.204 2.656 50 50 DFGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1cccc(F)c1 242039 AGGGFAIWSYFTOH-CQSZACIVSA-N 316.332 2.861 50 50 DFGA CCN(CC)C(=O)c1sc(NC(=O)CCl)c(C#N)c1C 6046278 SWPRIXPIZXWJPF-UHFFFAOYSA-N 313.810 2.588 50 50 DFGA COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(C)o2)n[nH]1 9110433 FRUGAMKFACWQRF-VCHYOVAHSA-N 324.340 2.751 50 50 DFGA COc1cccc(-c2cc(C(=O)N/N=C/c3ccccc3)[nH]n2)c1 5360343 CJVYGHWYBDGCJU-XDHOZWIPSA-N 320.352 2.849 50 50 DFGA CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(N)ccc21 293548 LVKPSJYPXBVNCF-KRWDZBQOSA-N 307.353 2.886 50 50 DFGA Cc1nnsc1C(=O)N/N=C/c1ccccc1C(F)(F)F 5792619 IVQHHPYODHLGOB-OMCISZLKSA-N 314.292 2.629 50 50 DFGA N#CC1=C(N)Oc2[nH]nc(C(F)(F)F)c2[C@@H]1c1ccccc1 76366 DOMGYXFDAVECBO-SECBINFHSA-N 306.247 2.647 50 50 DFGA CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(CC(=O)N2CCC2)C1 408523133 HFPLVLXWFUVWPC-CQSZACIVSA-N 312.530 2.705 50 50 DFGA COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1 261385 UBYDVQZAEPBTTD-VCHYOVAHSA-N 318.760 2.878 50 50 DFGA COc1ccc(-c2cc(C(=O)NN)c3ccccc3n2)cc1OC 2576196 YKMWFORHWALOOV-UHFFFAOYSA-N 323.352 2.523 50 50 DFGA COc1ccc(/C=N/NC(=O)c2cc(C)oc2C)c(OC)c1 228295 YCKIFTZVZRCPTI-RQZCQDPDSA-N 302.330 2.678 50 50 DFGA CCOc1cccc(CN(C(=O)CCl)c2cnn(C)c2)c1 1875376002 LPJBTEICRZYGSS-UHFFFAOYSA-N 307.781 2.591 50 50 DFGA Cn1c(SCC(=O)N/N=C/c2ccccc2)nc2ccccc21 445790 AIROUNCMKPNPNC-WOJGMQOQSA-N 324.409 2.816 50 50 DFGA CCO[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169811106 ZVJXKUWNRVOUTI-UHFFFAOYSA-N 304.465 2.690 50 50 DFGA O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccccc1 5279292 CYUJGHWJHJZBMM-UHFFFAOYSA-N 317.261 2.652 50 50 DFGA CCOC(=O)c1c(NC(=O)CCl)sc(C(C)=O)c1C 40684 KVHGTCWOLDALEX-UHFFFAOYSA-N 303.767 2.613 50 50 DFGA COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)c1 207269 GIOORDFCFRMVJE-KRWDZBQOSA-N 323.352 2.504 50 50 DFGA aggregator CCc1n[nH]c2c1[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2 1472204 GAEHYNXMMHLCPP-LBPRGKRZSA-N 300.749 2.844 50 50 DFGA Cc1ccc(NC(=O)CCC(=O)N/N=C/c2ccco2)c(C)c1 2971060 CSEQFIHKUHSYPC-WOJGMQOQSA-N 313.357 2.765 50 50 DFGA Cc1[nH]nc2c1[C@H](c1c(O)ccc3ccccc13)C(C#N)=C(N)O2 4237608 DFTOBTKXBBLOHK-MRXNPFEDSA-N 318.336 2.795 50 50 DFGA in-vitro N#CC1=C(N)Oc2[nH]nc(-c3ccccn3)c2[C@@H]1c1cccs1 91232 JAMNDSQLSSHCQB-LBPRGKRZSA-N 321.365 2.751 50 50 DFGA C[C@H](Cl)C(=O)N1CCC(n2c(O)nc3ccccc32)CC1 1875364326 LLIPNVNIFONGDZ-JTQLQIEISA-N 307.781 2.533 50 50 DFGA CCN(CC)c1ccc(/C=N/NC(=O)c2ccoc2C)c(O)c1 381475 SWHBSYCKEVBSRH-WOJGMQOQSA-N 315.373 2.904 50 50 DFGA C/C(CC(=O)N(C(C)C)C(C)C)=N\NC(=O)c1ccoc1C 5042289 LLMWLEUJXAOZNQ-SFQUDFHCSA-N 307.394 2.729 50 50 DFGA C[C@H](I)C1CN(C(=O)OC(C)(C)C)C1 72267035 BNZBWGUJYJPALD-ZETCQYMHSA-N 311.163 2.677 50 50 DFGA O=C1O[C@H](O)[C@H](c2cc3ccccc3s2)[C@@H]1Br 45027499 NDVMCVRVFMHDTO-VWYCJHECSA-N 313.172 2.624 50 50 DFGA in-vitro C[C@H](Cl)C(=O)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 1875366105 MGYSOZFOYXYVSW-UWVGGRQHSA-N 313.747 2.821 50 50 DFGA CC[C@@H]1Oc2cc([C@H](C)NC(=O)[C@@H](C)Cl)ccc2NC1=O 1875364318 NSRROFZMLTUMTJ-PTRXPTGYSA-N 310.781 2.601 50 50 DFGA Cc1cc(C(=O)N/N=C/c2ccccc2Br)no1 372671 BHFUSBIVVNIJTA-VGOFMYFVSA-N 308.135 2.509 50 50 DFGA Cc1nc(-c2cc(NC(=O)CCl)cc(C(F)(F)F)c2)n[nH]1 1875378319 ZOKXMSAKXDDHQX-UHFFFAOYSA-N 318.686 2.976 50 50 DFGA COc1ccc(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)c(OC)c1 16675736 ABXNPFIDBFQMEO-WXJBYKQOSA-N 316.401 2.980 50 50 DFGA O=C(N/N=C/c1ccc([N+](=O)[O-])s1)[C@H]1C[C@@H]1c1ccccc1 62728 ZZFBKPNIYDINKF-OEYQNCTESA-N 315.354 2.910 50 50 DFGA COc1ccc([C@@H](C)NC(=O)[C@@H](C)Cl)cc1Cn1cccn1 1875364538 NPNCKGCZNJKEHX-VXGBXAGGSA-N 321.808 2.745 50 50 DFGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(C)cc2)cc1 2566379 ATSUGCSLIOZTTN-XDHOZWIPSA-N 309.369 2.646 50 50 DFGA COC(=O)c1c(NC(=O)[C@H](C)Cl)sc2c1CCCC2 3887373 UXOYXLFFOHUVJG-ZETCQYMHSA-N 301.795 2.979 50 50 DFGA C/C(=N\NC(=O)c1cccnc1)c1ccc(Br)cc1 4579243 VVKINSAQHIQASB-LICLKQGHSA-N 318.174 2.998 50 50 DFGA O=C(CCC(=O)Nc1ccccc1)N/N=C/c1ccccc1F 1960363 LSAXWHYRLZPASX-XDHOZWIPSA-N 313.332 2.695 50 50 DFGA O=C(NNC(=S)NC1CCCCC1)c1ccccc1Cl 1061487 PMXPWKMZJBDEAP-UHFFFAOYSA-N 311.838 2.782 50 50 DFGA COc1ccc(/C(C)=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 14923151 OYWFPAGVVUGXNF-GZTJUZNOSA-N 313.313 2.757 50 50 DFGA CCc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2C(=O)OC)s1 43738 TXCUWKTZYBDCJI-ZDUSSCGKSA-N 304.371 2.565 50 50 DFGA O=C(N/N=C/c1ccc(Br)o1)c1cccc(F)c1 298700 IDSRLKLNIJOUEF-VIZOYTHASA-N 311.110 2.945 50 50 DFGA O=C(NNC(=O)c1ccncc1)Nc1cccc(C(F)(F)F)c1 609305 ODENRWUBXPZANT-UHFFFAOYSA-N 324.262 2.567 50 50 DFGA C[C@@H](Sc1ncccn1)C(=O)N/N=C/c1ccccc1Cl 233762 KOZABVFPGWEQSM-SVXRXWARSA-N 320.805 2.761 50 50 DFGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc2c(c1)OCO2 245227034 XHFPXMRXVKQFDV-NOVPMSRBSA-N 300.358 2.692 50 50 DFGA N#CSCCCNS(=O)(=O)c1csc2ccccc12 585115301 VICDPYXHGNFIPW-UHFFFAOYSA-N 312.441 2.784 50 50 DFGA C[C@@H](Cl)C(=O)NCc1nnc(-c2ccc(Cl)cc2)o1 1875364123 FDUINKWPWVMRCJ-SSDOTTSWSA-N 300.145 2.634 50 50 DFGA O=C(CCl)n1c(=O)sc2cc(Br)ccc21 39754 VZYQDVLXNQBPTL-UHFFFAOYSA-N 306.568 2.705 50 50 DFGA O=C1[C@@H]2[C@H]3C[C@H](Br)[C@@H]4[C@H]3C[C@@H]2[C@H]4[C@H]1Br 245267374 LLBLSJMPYGDIAH-CNASBHQWSA-N 320.024 2.614 50 50 DFGA CCCCCCCOc1ccc(C(=O)NNC(N)=S)cc1 1919869 VTIBVYBTQSBCCP-UHFFFAOYSA-N 309.435 2.514 50 50 DFGA C[C@@H](Cl)C(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1875380319 LNPOQDDECPVIDR-BDAKNGLRSA-N 309.719 2.693 50 50 DFGA O=C1CC2(CCCCC2)CC(=O)C1=CNNC(=O)C1CCCC1 170609464 FUUZMRNFFDTFHE-UHFFFAOYSA-N 318.417 2.564 50 50 DFGA C[C@@H](Cl)C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O 1875363564 JRLPUXUEYWLKOW-BXKDBHETSA-N 315.200 2.531 50 50 DFGA COc1ccccc1NC1=NC[C@H](CBr)S1 292371 UYGJXKDUEWDABV-QMMMGPOBSA-N 301.209 2.973 50 50 DFGA O=[P@@]1(N(CCCl)CCCl)OCCCN1CCCl 816 UMKFEPPTGMDVMI-QGZVFWFLSA-N 323.588 2.835 50 50 DFGA world CCOc1ccc(/C=N/NC(=O)COc2ccc(F)cc2)cc1 439864 GGRGZIZQJBNACB-YBFXNURJSA-N 316.332 2.754 50 50 DFGA C/C(=N\NC(=O)c1cnccn1)c1ccc(Cl)cc1Cl 19835445 SXOBWPRWSZVWGQ-QGMBQPNBSA-N 309.156 2.937 50 50 DFGA CC1=C(C#N)[C@@](NC(=O)c2ccc(C)cc2)(C(F)(F)F)C(O)=N1 4937387 WFGOSKHUYKHKGS-AWEZNQCLSA-N 323.274 2.794 50 50 DFGA CCc1[nH]nc2c1[C@H](c1ccnc3ccccc13)C(C#N)=C(N)O2 6785464 VJAXJSBBOPIIKS-OAHLLOKOSA-N 317.352 2.738 50 50 DFGA O=C(CCCCl)Nc1ccc(I)cn1 2243935 VDPISDJJUHBZDW-UHFFFAOYSA-N 324.549 2.644 50 50 DFGA O=C1O[C@@H]2[C@H]3C[C@@H](C[C@H]13)[C@H]2S[C@@H](CCl)C(F)(F)F 245256346 PHZHBRBWSFVGGP-YMJWHCTPSA-N 300.729 2.839 50 50 DFGA O=C(CCl)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 381621980 CQPOBEDPPPVQHY-CQSZACIVSA-N 303.793 2.664 50 50 DFGA CCOc1cc(/C=N/NC(=O)c2cccc(OC)c2)ccc1O 2379761 YOVRMHRROKWJCE-WOJGMQOQSA-N 314.341 2.563 50 50 DFGA Cc1oc(C(C)(C)C)cc1CN(C(=O)CCl)c1cn(C)nn1 1875382196 UHYQAZXEHOBQEN-UHFFFAOYSA-N 324.812 2.786 50 50 DFGA C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(O)cc1 93718 QRERZNXMAUVQGT-VDCVXVNISA-N 318.760 2.963 50 50 DFGA O=C(N/N=C/c1ccc(O)cc1O)c1cc2ccccc2cc1O 5165094 XJNVKTGLUQOTED-VXLYETTFSA-N 322.320 2.721 50 50 DFGA CC(C)[C@@H](COC(=O)CCl)CS(=O)(=O)c1ccccc1 43199354 JFGHXSZQHPBDDO-LBPRGKRZSA-N 318.822 2.515 50 50 DFGA CC1(C)C[C@H](NC(=O)CCl)CCN(C(=O)OC(C)(C)C)C1 1875369934 RENVJQQUSFRJKT-LLVKDONJSA-N 318.845 2.767 50 50 DFGA COc1cccc(/C=N/NC(=O)[C@H]2C[C@H]2c2ccccc2)c1O 4956749 GWUPTQBVAQQNSD-WTQAEKLLSA-N 310.353 2.655 50 50 DFGA NNC(=O)c1sc2cccc(Br)c2c1Cl 17031254 FTWJTGIWYBGZRH-UHFFFAOYSA-N 305.584 2.921 50 50 DFGA CCc1cccc(CN(C[C@H]2CC[C@@H](O)C2)C(=O)CCl)c1 1875382464 CBAVAZBJRFGJSW-JKSUJKDBSA-N 309.837 2.977 50 50 DFGA CC[C@H](Br)C(=O)Nc1ccc2c(c1)OCCO2 5909248 MXNRUCDLYCHLLA-VIFPVBQESA-N 300.152 2.570 50 50 DFGA CCCc1[nH]nc2c1[C@@H](c1cccc(OC)c1)C(C#N)=C(N)O2 5075289 RHTSRTGEUXBWNH-AWEZNQCLSA-N 310.357 2.589 50 50 DFGA O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1 255812 VHQSSNQXDAPEET-VCHYOVAHSA-N 308.297 2.840 50 50 DFGA O=C(O)c1ccc(SSc2ccc(C(=O)O)cn2)nc1 1729389 GSASOFRDSIKDSN-UHFFFAOYSA-N 308.340 2.672 50 50 DFGA in-vitro CCOC(=O)c1c(NC(=O)CCl)sc2c1CCCC2 59004 SYGWXPYGPAXVLL-UHFFFAOYSA-N 301.795 2.981 50 50 DFGA biogenic [N-]=[N+]=CC(=O)[C@@](O)(c1ccccc1)[C@@H](Cl)c1ccccc1 4085763 YROIZDMVYRRHKA-HOTGVXAUSA-N 300.745 2.724 50 50 DFGA C[C@H](Cl)C(=O)N1C[C@H](C)CN(Cc2ccccc2)C[C@@H]1C 1875367997 HVNIJBVSHRBPLT-ILXRZTDVSA-N 308.853 2.983 50 50 DFGA Cc1n[nH]c2c1[C@@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 6812813 ZHAUYBPUIRSSKO-HNNXBMFYSA-N 310.357 2.724 50 50 DFGA CCc1ccc(-c2cc(C(=O)N/N=C/c3ccncc3)[nH]n2)cc1 9329666 LVTOHISYJMKJSI-UDWIEESQSA-N 319.368 2.798 50 50 DFGA O=C1[C@H]2[C@H]3C[C@H](Br)[C@H]4[C@H]3C[C@@H]2[C@H]4[C@H]1Br 229979481 LLBLSJMPYGDIAH-WWBRLKCOSA-N 320.024 2.614 50 50 DFGA C/C(=N\NC(=O)c1cccc(C(F)(F)F)c1)c1cnccn1 1875258747 QNLPZNNTWQIECT-AWQFTUOYSA-N 308.263 2.649 50 50 DFGA Nc1nc(CCl)nc(Nc2ccccc2Br)n1 1441747 BVNOPXQCQLTJPH-UHFFFAOYSA-N 314.574 2.699 50 50 DFGA CCOC(=O)c1sc(NC(=O)CCCl)c(C#N)c1C 1964988 WCCHBHKPVOLCJC-UHFFFAOYSA-N 300.767 2.672 50 50 DFGA O=C(CCBr)NC(=O)Oc1ccccc1Cl 2963988 QWPSGRBHHGLGQQ-UHFFFAOYSA-N 306.543 2.740 50 50 DFGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccc(Cl)c1 62986 FGRUZBDOLSGWJX-ZDUSSCGKSA-N 304.733 2.595 50 50 DFGA C[C@@H](Cl)C(=O)N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1875380153 GOIQCZLKIBDSGW-NXEZZACHSA-N 316.854 2.968 50 50 DFGA COC(=O)N[C@H](O)C(Cl)(Cl)[C@H](Cl)c1ccccc1 3122215 JWPSPSHAERZDKC-RKDXNWHRSA-N 312.580 2.815 50 50 DFGA COc1ccc(OC)c(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)c1 169682460 NLJBFDQRIPHXFJ-SWQFIXAKSA-N 316.401 2.980 50 50 DFGA O=C(O)CCSSCCNC(=O)[C@]12CCCC[C@@H]1C2 1875388533 FSOHZPGDODDFGF-MFKMUULPSA-N 303.449 2.539 50 50 DFGA O=C/C(=C\Nc1ccc(C(=O)O)c(O)c1)c1nc2ccccc2o1 335421 XVYUVGUFSQEXAT-CSKARUKUSA-N 324.292 2.884 50 50 DFGA CC1CCC(=NNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 4366514 OISHLBGBNLHFOA-UHFFFAOYSA-N 305.334 2.656 50 50 DFGA Cn1cc(N(CC(C)(C)C)C(=O)CCl)c(Br)n1 1875374590 XSWAXORVOUAIHL-UHFFFAOYSA-N 322.634 2.801 50 50 DFGA COc1ccc(P(=O)(c2ccc(OC)cc2)C(C)(C)O)cc1 59102185 KCCDVIVALABVOS-UHFFFAOYSA-N 320.325 2.746 50 50 DFGA COc1ccc(/C=N/NC(=O)c2cc(C)oc2C)cc1OC 228332 ZUHSAROFRQDYNB-RQZCQDPDSA-N 302.330 2.678 50 50 DFGA N#CC1=C(N)Oc2[nH]nc(-c3ccccn3)c2[C@H]1c1cccs1 91244 JAMNDSQLSSHCQB-GFCCVEGCSA-N 321.365 2.751 50 50 DFGA O=C(CCc1ccccc1)NNC(=S)Nc1cccc(F)c1 6829462 YIQDNBFVWXHSFA-UHFFFAOYSA-N 317.389 2.776 50 50 DFGA C[C@@H](I)C1CN(C(=O)OC(C)(C)C)C1 72267036 BNZBWGUJYJPALD-SSDOTTSWSA-N 311.163 2.677 50 50 DFGA CSc1ccc(/C=N/NC(=O)c2cc(O)cc(O)c2)cc1 250722 MIPUOSSEGDRLCV-CXUHLZMHSA-N 302.355 2.584 50 50 DFGA N#CC1=C(N)Oc2[nH]nc(-c3cccnc3)c2[C@H]1c1ccsc1 620208 ZNONVXPGDQFUBT-LBPRGKRZSA-N 321.365 2.751 50 50 DFGA COc1ccc(C(=O)N/N=C/[C@@H]2C[C@H]3CC[C@H]2C3)cc1OC 101634468 VBNDVYMLZVJADP-YCPGGEESSA-N 302.374 2.856 50 50 DFGA O=C1O[C@H]2C[C@@]34CCCC[C@]3(C[C@H]2I)[C@@H]14 254854589 PEFIJDLONBYQKX-YSBPJYLOSA-N 318.154 2.686 50 50 DFGA Cc1ccc(CN2CC[C@@H](CN(C)C(=O)CCl)C2)s1 1327499981 TZXGZRRTGBFUSR-LBPRGKRZSA-N 300.855 2.576 50 50 DFGA COc1ccc(/C(C)=N/NC(=O)c2ccc(N(C)C)cc2)cc1 5019991 QXWKENBFNCZMHL-CPNJWEJPSA-N 311.385 2.915 50 50 DFGA NNC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccccc2)C1 169803627 RNKFNHBXYAGCLE-HNNXBMFYSA-N 314.776 2.637 50 50 DFGA C[C@@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1ccccc1O 286390 CDNOYMFFSZYOOA-VDCVXVNISA-N 318.760 2.963 50 50 DFGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1ccccc1 4017617 XWSCVMAVNUNPBO-CHOUFLSKSA-N 309.325 2.849 50 50 DFGA C/C(CC(=O)Nc1ccccc1)=N\NC(=O)Cc1ccccc1 102310078 AOFLAQTZTOYYTJ-XSFVSMFZSA-N 309.369 2.750 50 50 DFGA O=C(CCl)N(Cc1ccc2c(c1)CCC2)CC1(CCO)CC1 1875382957 ZDIFYYCOQXRCHK-UHFFFAOYSA-N 321.848 2.905 50 50 DFGA COCc1n[nH]c2c1[C@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 4555653 INLGIXHZRUIMRA-OAHLLOKOSA-N 324.384 2.898 50 50 DFGA Cc1ccc(C(=O)NCC(=O)N/N=C/C=C/c2ccccc2)cc1 4355633 RMRBJPXMEWVPFV-QRJSFIJRSA-N 321.380 2.540 50 50 DFGA NC(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 565968 XVMZVYLMXISEAQ-GIJQJNRQSA-N 317.732 2.561 50 50 DFGA O=C(N/N=C/c1ccccc1O)c1ccc(Br)cc1 48131 FSJACRPWMBPHIT-CXUHLZMHSA-N 319.158 2.919 50 50 DFGA O=C1O[C@@H]2[C@H]3C[C@@H](C[C@H]13)[C@@H]2S[C@H](CCl)C(F)(F)F 245256344 PHZHBRBWSFVGGP-LLVDSZRASA-N 300.729 2.839 50 50 DFGA N#C/C(=C\c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 111869 ZUBDBAMTPWGDFY-GXDHUFHOSA-N 314.322 2.933 50 50 DFGA Cc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(F)(F)F)c32)cc1 76443 SAPCGJAMPYFOIL-JTQLQIEISA-N 320.274 2.955 50 50 DFGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccn3)[nH]n2)cc1 1740773 IONVNJJSODHMCG-YBFXNURJSA-N 305.341 2.544 50 50 DFGA CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H](Br)C=O)C1 1857781412 PKGDNLMCPGZXCB-ZJUUUORDSA-N 306.200 2.596 50 50 DFGA COCCCn1ccc(N(CC(C)(C)C)C(=O)CCl)n1 1875374389 NKUIIXRJHBNEGH-UHFFFAOYSA-N 301.818 2.538 50 50 DFGA CCc1n[nH]c2c1[C@H](c1ccccc1Cl)C(C#N)=C(N)O2 1472203 GAEHYNXMMHLCPP-GFCCVEGCSA-N 300.749 2.844 50 50 DFGA O=C(N/N=C1\C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)c1ccc2c(c1)OCO2 1875390453 RPWFBEZENPCOCE-YLRIQXTLSA-N 312.369 2.957 50 50 DFGA C[C@@H](Cl)C(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 1875380695 WNEPMVJQNDSHRG-HTQZYQBOSA-N 309.719 2.762 50 50 DFGA C=CCNC(=O)/C(C#N)=C\c1ccc(OCc2ccncc2)cc1 207694346 SUXREAHCHFJDSM-ATVHPVEESA-N 319.364 2.870 50 50 DFGA CCOc1ccc(/C=N\NC(=O)CNc2ccccc2C)cc1 32603905 UUSQRJKENDIQKU-NDENLUEZSA-N 311.385 2.956 50 50 DFGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)c1 5296190 RSUMWQQZQRRRLK-XDHOZWIPSA-N 320.352 2.849 50 50 DFGA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccccc1 4366167 ZCMCPNSELBFWQV-OOIIIRTPSA-N 313.313 2.512 50 50 DFGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1ccccc1 4949229 BJGXVDQDCPYDQS-CHOUFLSKSA-N 309.325 2.849 50 50 DFGA N#C/C(=C\Nc1ccc(Oc2ccccc2)cc1)c1nnn[nH]1 5279497 HEUUUXQCLBDGRW-VAWYXSNFSA-N 304.313 2.969 50 50 DFGA Cc1ccc(-c2cc(C(=O)N/N=C/c3cccnc3)[nH]n2)cc1 9330988 GSMVPOSYTNTUHT-YBFXNURJSA-N 305.341 2.544 50 50 DFGA COc1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)c(OC)c1 245239886 GQVZIQXHUKCTKJ-BBZSAIQISA-N 302.374 2.590 50 50 DFGA CCc1cccc(CN(C[C@@H]2CC[C@@H](O)C2)C(=O)CCl)c1 1875382463 CBAVAZBJRFGJSW-HZPDHXFCSA-N 309.837 2.977 50 50 DFGA CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(C)oc(=O)c21 242115 XOQTUKPYHRALSV-HNNXBMFYSA-N 324.336 2.565 50 50 DFGA C[C@H](Cl)C(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 1875380696 WNEPMVJQNDSHRG-JGVFFNPUSA-N 309.719 2.762 50 50 DFGA O=C(N/N=C/c1cccc(Cl)c1)C(=O)Nc1ccc(F)cc1 3151073 DTXXSPJSJSKVPI-GIJQJNRQSA-N 319.723 2.568 50 50 DFGA COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(C(C)(C)C)c21 3998301 PKDGUQTVEJBFLT-CYBMUJFWSA-N 324.384 2.934 50 50 DFGA Cc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccnc4)c32)o1 5818371 YWDVDAAVROUAAF-CYBMUJFWSA-N 319.324 2.591 50 50 DFGA Cc1cc2c(c(=O)o1)[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2 196810 NXJIUFBSYJBPKQ-ZDUSSCGKSA-N 314.728 2.820 50 50 DFGA CCOC(=O)[C@H](F)P(=O)(c1ccccc1)c1ccccc1 335218 XKHZGLYXWHKPCS-OAHLLOKOSA-N 306.273 2.859 50 50 DFGA CCCC1=C(C(=O)OCC)[C@@H](c2cccnc2)C(C#N)=C(N)O1 183720 UGFCVHYLLKFAGX-AWEZNQCLSA-N 313.357 2.507 50 50 DFGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cccc(Cl)c1 4737693 GJXNJRKSXLRGMP-LZYBPNLTSA-N 319.704 2.718 50 50 DFGA O=C(N/N=C/c1ccccc1O)c1cc(-c2cccs2)n[nH]1 5296817 BUVAJSMOAYBTOT-CXUHLZMHSA-N 312.354 2.608 50 50 DFGA CO[C@H](C(=O)N/N=C/c1ccc(N(C)C)cc1)c1ccccc1 438234 CVJHAQCBBLTMER-AMRJIULGSA-N 311.385 2.590 50 50 DFGA C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1O 2674395 OCWOBFMMVYPPKE-HPAYWCODSA-N 318.760 2.963 50 50 DFGA O=C(/C=C/c1cccs1)NNC(=O)CCc1ccccc1 6596744 LIMDSCKZKRLAFQ-PKNBQFBNSA-N 300.383 2.542 50 50 DFGA N#C/C(=C\c1cccc(OC(=O)c2ccco2)c1)C(=O)NC1CC1 17055946 XALNHBYHEODHFB-UKTHLTGXSA-N 322.320 2.684 50 50 DFGA O=C(OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 100475243 JYMVSZGJZRQOFY-UHFFFAOYSA-N 316.225 2.500 50 50 DFGA in-vitro O=C(NNC(=O)C1[C@@H]2CCCC[C@@H]12)Nc1ccc(Cl)cc1 142968 IQWDRLAUZYRKPL-VXGBXAGGSA-N 307.781 2.929 50 50 DFGA O=C(N/N=C\c1cccc([N+](=O)[O-])c1)c1cccc2cc[nH]c12 32678368 CNSBVLDLBBVAKM-ZDLGFXPLSA-N 308.297 2.840 50 50 DFGA CC(C)[C@@H](NC(=O)CCCC[C@@H]1CCSS1)C(=O)O 221414161 RTTUGKYFSHUCBM-ZYHUDNBSSA-N 305.465 2.926 50 50 DFGA COc1ccc(/C=N/NC(=O)c2cccs2)c(OC)c1OC 381459 CACKKUSVBKLJAD-CXUHLZMHSA-N 320.370 2.538 50 50 DFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(Cl)cc1 36188 BZLJSLREZDBQBR-CQSZACIVSA-N 318.760 2.985 50 50 DFGA COc1cccc(/C=N/NC(=O)Cc2c[nH]c3ccccc23)c1 221544 PTWHYJOAFKYNHE-RGVLZGJSSA-N 307.353 2.869 50 50 DFGA O=C(Cn1cnc2ccccc21)N/N=C/c1cccc(Cl)c1 228783 WLQGZOZKTJUKHF-DJKKODMXSA-N 312.760 2.840 50 50 DFGA CCCCCCCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 2755928 DBFJEEIGJFILAG-UHFFFAOYSA-N 307.350 2.716 50 50 DFGA C[C@H](Cl)C(=O)N[C@]1(Cc2cccc(Cl)c2)CCOC1 1875378183 WUGYVTWNAMTQBT-HZMBPMFUSA-N 302.201 2.785 50 50 DFGA O=C(CCl)N1CCc2nc[nH]c2[C@@H]1c1cccc(Cl)c1 2325901726 VRVYJMRYIHAKTC-AWEZNQCLSA-N 310.184 2.776 50 50 DFGA COc1ccc(C(=O)N/N=C/c2c[nH]nc2-c2ccccc2)cc1 349126 BJQFOWRSFOTHHX-UDWIEESQSA-N 320.352 2.849 50 50 DFGA C[n+]1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 436325 FFIDQBWCWZGPDO-UHFFFAOYSA-O 309.176 2.582 50 50 DFGA CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1 208020 GTWNUDOANIKEDY-OAHLLOKOSA-N 308.337 2.729 50 50 DFGA [N-]=[N+]=CC(=O)[C@](O)(c1ccccc1)[C@H](Cl)c1ccccc1 4085762 YROIZDMVYRRHKA-HZPDHXFCSA-N 300.745 2.724 50 50 DFGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1C 283040 YLHZIIYQPFMUHZ-INIZCTEOSA-N 310.353 2.818 50 50 DFGA Cc1cc(I)ccc1NC(=O)CCl 4690713 NMGCSCNDULDKSC-UHFFFAOYSA-N 309.534 2.777 50 50 DFGA FC(F)(F)C1(C(F)(F)F)[C@H]2C[C@H]3[C@@H]([C@@H]2Br)N31 217506572 XKUBBXCEJQOOTG-MZPMUGIBSA-N 310.035 2.700 50 50 DFGA CC(C)c1nnc([C@H]2CC23CCN(C(=O)[C@@H](C)Cl)CC3)o1 1875363542 IMSXDZQWDAWTEY-GHMZBOCLSA-N 311.813 2.916 50 50 DFGA CCOc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1O 4360134 PNFOZCRGSZUDFL-WOJGMQOQSA-N 314.341 2.563 50 50 DFGA O=C(Nc1ccc2nccnc2c1Br)[C@H](F)Cl 2325901671 SFUGNXXZZSFXJE-VIFPVBQESA-N 318.533 2.865 50 50 DFGA CC(C)(C)OC(=O)NNC(=S)NCc1ccc(Cl)cc1 8682658 NNQBWBOOJGZRHH-UHFFFAOYSA-N 315.826 2.744 50 50 DFGA C=CCC1(C(=O)NCCSSCCC(=O)O)CC=CC1 1875388432 AUGMSYKCAKASIX-UHFFFAOYSA-N 315.460 2.871 50 50 DFGA O=C(N/N=C/c1cccc2ccccc12)C(=O)Nc1ccccc1 2571761 KPEBMDDQLJROSJ-DEDYPNTBSA-N 317.348 2.929 50 50 DFGA Cc1ccc(Nc2nc(N)nc([C@@H](C)Br)n2)cc1 4344186 GMEMJECVQLEGJC-MRVPVSSYSA-N 308.183 2.962 50 50 DFGA C[C@@H](Cl)C(=O)Nc1ccc(Oc2ccccc2C(N)=O)nc1 1875363864 CBHIMMJGRGDKJB-SECBINFHSA-N 319.748 2.539 50 50 DFGA C=CCc1cccc(/C=N/NC(=O)COc2ccccc2C)c1O 353817 MGVQEZLXSKYUHM-UDWIEESQSA-N 324.380 2.958 50 50 DFGA O=C(N/N=C/C=C/c1ccccc1)C(=O)Nc1ccc(F)cc1 4209341 SIBSMDQXAQLKRR-MZBBQUMVSA-N 311.316 2.580 50 50 DFGA COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(OC)c1O 32620531 VLGAZDVAMFTMNC-JYRVWZFOSA-N 324.336 2.955 50 50 DFGA CN(NC(=O)C(F)(F)F)c1ncc(C(F)(F)F)cc1Cl 261494873 OYLPSBUYGDWQOM-UHFFFAOYSA-N 321.608 2.784 50 50 DFGA C[C@H](Cn1cnc2ccccc21)C(=O)N/N=C/c1ccccc1 552646 VNEMAAGSVHFNQW-XLTHYULKSA-N 306.369 2.823 50 50 DFGA NC(=O)N/N=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 5732906 ZNSXNNKIVNPTCX-VZLAKPTRSA-N 310.313 2.681 50 50 DFGA COc1ccccc1NC1=NC[C@@H](CBr)S1 292369 UYGJXKDUEWDABV-MRVPVSSYSA-N 301.209 2.973 50 50 DFGA O=C(N/N=C/c1ccccc1Br)c1ccc(O)cc1 431962 DXMKNHRTRGGCOK-CXUHLZMHSA-N 319.158 2.919 50 50 DFGA CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(CC)c21 4599899 GMTHOXWTXWHIRE-CQSZACIVSA-N 310.357 2.589 50 50 DFGA COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)ccc1O 229790942 QXRPAXQHBHNUDQ-WYDVFFIZSA-N 302.374 2.677 50 50 DFGA CNC(=S)NNC(=O)c1csc(C)c1-c1ccc(C)cc1 17055095 PDUVRISTEJZFRR-UHFFFAOYSA-N 319.455 2.771 50 50 DFGA O=C(O)CCSSCCNC(=O)C[C@H]1C=CCCC1 1875388775 PQWBPBHNUPYNKQ-NSHDSACASA-N 303.449 2.705 50 50 DFGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1 228926 ZTNUMBLESWVHLE-XDHOZWIPSA-N 320.352 2.849 50 50 DFGA CC(C)(C)OC(=O)NCCNC(=O)[C@H](Cl)c1ccccc1 95217807 NQOXRAPQSCGNMP-GFCCVEGCSA-N 312.797 2.607 50 50 DFGA C[C@H](Cl)C(=O)N1C[C@H](C2CCCC2)O[C@H](C(F)(F)F)C1 1875376262 QMCYXRLBUCMBDL-GDPRMGEGSA-N 313.747 2.962 50 50 DFGA O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCSSCC1 1775984707 JKMUPOCPXQTDLX-UHFFFAOYSA-N 323.399 2.913 50 50 DFGA CO[Si](CCCCCCCCOC[C@@H]1CO1)(OC)OC 575415316 QYJYJTDXBIYRHH-CQSZACIVSA-N 306.475 2.621 50 50 DFGA in-vitro O=C(N/N=C/c1ccccc1F)c1cc(-c2ccccc2)n[nH]1 434857 YOXHIVDIMVUSKZ-YBFXNURJSA-N 308.316 2.980 50 50 DFGA O=C(CCl)c1c[nH]c(/C=N/Nc2ccc([N+](=O)[O-])cc2)c1 8873679 JWURPQAPACOLQC-LZYBPNLTSA-N 306.709 2.790 50 50 DFGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)o3)n[nH]2)cc1 9012705 HYQWXXYAMDSUMY-VCHYOVAHSA-N 324.340 2.751 50 50 DFGA C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1F 2500877 AQXBOFITIDKLBX-HNNXBMFYSA-N 314.316 2.637 50 50 DFGA O=C1ON=C(CCl)/C1=C\c1ccc(Br)cc1 34926735 MYOCDYHBEOIULH-WEVVVXLNSA-N 300.539 2.984 50 50 DFGA CC1=C(C(=O)OC(C)(C)C)[C@H](c2cccnc2)C(C#N)=C(N)O1 77655 VRKJKXUCJPAOAB-CQSZACIVSA-N 313.357 2.505 50 50 DFGA Cc1cccc(C)c1CN(C(=O)CCl)[C@@H](C)Cn1cncn1 1875382544 FWOOVRYFJYSPSP-AWEZNQCLSA-N 320.824 2.551 50 50 DFGA C[C@@](O)(C(=O)N/N=C\c1c[nH]c2ccccc12)c1ccccc1 55031596 QQURAQMPDOBDEM-HRVJUDJTSA-N 307.353 2.526 50 50 DFGA O=C(N/N=C/c1ccc(O)cc1)c1ccc(Br)o1 437685 XKFTXEALBUOBMK-VGOFMYFVSA-N 309.119 2.512 50 50 DFGA O=C(N/N=C/c1ccc(OC2CSC2)cc1)c1ccccc1 439940 CSOPBQMSXNQNIS-VCHYOVAHSA-N 312.394 2.945 50 50 DFGA CCO/C=C(\C#N)C(=O)N[C@H]1CCCC[C@H]1OC1CCCC1 584908284 VTPBQZXZNPIYFV-YYZTVXDQSA-N 306.406 2.817 50 50 DFGA CCc1[nH]nc2c1[C@H](c1c[nH]c3ccccc13)C(C#N)=C(N)O2 5130052 NRKYVUZXRLHHEB-AWEZNQCLSA-N 305.341 2.672 50 50 DFGA Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cccs1 2025280 UDKPASIRPJKZRD-LZYBPNLTSA-N 321.789 2.799 50 50 DFGA Cc1ccccc1NCC(=O)N/N=C\c1ccc([N+](=O)[O-])s1 4982384 JACCJEJIJCZTAM-PXNMLYILSA-N 318.358 2.527 50 50 DFGA Cc1cc(C)c(NC(=O)[C@]2(C)C[C@@H]2Br)cc1CO 864058708 UUJACMHAHXXZHG-GXTWGEPZSA-N 312.207 2.908 50 50 DFGA CCOc1ccc(/C=N/NC(=O)CCc2c(C)n[nH]c2C)cc1 5718603 KITNHSBJMNDFSU-WOJGMQOQSA-N 314.389 2.508 50 50 DFGA CC1=C(C#N)[C@@](NC(=O)C2CCCCC2)(C(F)(F)F)C(O)=N1 4653804 DZGVEAFTMVOTLF-ZDUSSCGKSA-N 315.295 2.752 50 50 DFGA CN(C)c1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 76454 WSXGCUXQFDNNOK-INIZCTEOSA-N 309.369 2.567 50 50 DFGA COc1cccc(/C=N/NC(=O)COc2ccccc2Cl)c1 566431 RBSCSBJRJUJUCL-VCHYOVAHSA-N 318.760 2.878 50 50 DFGA CC1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1 19760461 MVZWFSHHDPBDGC-QGZVFWFLSA-N 308.337 2.907 50 50 DFGA N#Cc1ccccc1OCC(=O)N/N=C/c1ccc(Cl)cc1 51023 VWYRCHJRJHEIGD-VXLYETTFSA-N 313.744 2.741 50 50 DFGA Cc1nnsc1C(=O)N/N=C/c1ccc(Cl)cc1Cl 5792600 GODTXJIIVAGPNT-LHHJGKSTSA-N 315.185 2.917 50 50 DFGA O=C(O)CCOc1cccc(N(CCCl)CCCl)c1 1672696 FEOMSJXNYZDINC-UHFFFAOYSA-N 306.189 2.824 50 50 DFGA O=C(NNc1ccc(Cl)nn1)[C@@H]1C[C@@H]1c1cc(F)ccc1F 170644277 UQJVBSZJTMDSOL-PSASIEDQSA-N 324.718 2.655 50 50 DFGA Cc1oc(C(=O)NNc2cccnn2)cc1COc1ccccc1 2325733336 LQVVCWMIMPKCDM-UHFFFAOYSA-N 324.340 2.714 50 50 DFGA CCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 34900 WIZKOHHUOYCSGJ-MRXNPFEDSA-N 310.353 2.900 50 50 DFGA COc1cc(/C=N/NC(=O)[C@@H]2C[C@H]2c2ccccc2)ccc1O 1020613 UZOZETKZPHEYDM-RBXCXTNXSA-N 310.353 2.655 50 50 DFGA O=C(N/N=C/c1ccc(O)cc1)Nc1cccc2nsnc12 280804 QRTYYEYYXURINZ-OVCLIPMQSA-N 313.342 2.553 50 50 DFGA in-vitro O=C(N/N=C/c1c(F)cccc1Cl)c1n[nH]c2c1CCCC2 18148598 UPAQQYSULWNIIC-QGMBQPNBSA-N 320.755 2.845 50 50 DFGA O=C(NNc1nc2ccccc2nc1C(F)(F)F)c1ccco1 5519449 AQYIXSUKJYIPDJ-UHFFFAOYSA-N 322.246 2.999 50 50 DFGA CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1 86723 XJHRHFFURBXLQZ-OAHLLOKOSA-N 324.336 2.565 50 50 DFGA Cc1cc(C(=O)N/N=C/c2coc3ccccc3c2=O)cs1 2749363 UQHUGBNHVRMUDP-REZTVBANSA-N 312.350 2.927 50 50 DFGA CO[Si](CCCCCCCCOC[C@H]1CO1)(OC)OC 575415314 QYJYJTDXBIYRHH-AWEZNQCLSA-N 306.475 2.621 50 50 DFGA in-vitro C[C@H](Cl)C(=O)NCc1cccnc1OCc1ccccc1 1875364710 RGSZXJBEBDOZFS-LBPRGKRZSA-N 304.777 2.904 50 50 DFGA C=CCN1C(=O)/C(=N\NC(=O)c2cccc(C)c2)c2ccccc21 100494407 MEBFGCMDWPWDHV-JZJYNLBNSA-N 319.364 2.662 50 50 DFGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1ccsc1 208050 JCAVTXHQMGZXCV-LBPRGKRZSA-N 304.371 2.783 50 50 DFGA Cc1ccccc1C(=O)NNC(=O)Cc1ccc(Cl)cc1 299420 OLTJOORMRCGGED-UHFFFAOYSA-N 302.761 2.652 50 50 DFGA CCC[C@@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)c1ccccc1 491081504 GNFAJKIKZKWZOR-LPPOOGIUSA-N 308.385 2.985 50 50 DFGA C[C@@]12[C@H](Br)[C@H]3[C@H]4C[C@H]5[C@@H]([C@H](C6OCCO6)[C@H]1[C@@H]53)[C@@H]42 257346592 VJSDVKZQZQTYPX-AEKXZUMYSA-N 311.219 2.517 50 50 DFGA O=C(N/N=C/c1cccc2ccccc12)c1n[nH]c2c1CCC2 9008153 GRKVVHYINHGWHO-YBFXNURJSA-N 304.353 2.816 50 50 DFGA O=C(N/N=C/c1ccc(Cl)cc1)[C@H]1COc2ccccc2O1 192733 GUDXSTZMTSGWLD-QANDDYDISA-N 316.744 2.630 50 50 DFGA O=C(N/N=C/c1ccco1)c1cc(Br)ccc1O 244896 CFXZIALXQYYFQZ-VGOFMYFVSA-N 309.119 2.512 50 50 DFGA COc1ccc(C(=O)NNC(=O)Nc2cccc(Cl)c2)cc1 1262705 OXROVRDRXSNYQS-UHFFFAOYSA-N 319.748 2.815 50 50 DFGA CC1=C/C(=N/NC(=O)c2ccc(O)cc2)c2ccccc2C1=O 106973989 YBWSLHSGTYTRJC-MNDPQUGUSA-N 306.321 2.669 50 50 DFGA C[C@]12[C@H](Br)[C@@H]3[C@H]4[C@H]5C[C@H]3[C@@H]1[C@@H]5[C@H](C1OCCO1)[C@@H]42 257346593 VJSDVKZQZQTYPX-IIKDSAECSA-N 311.219 2.517 50 50 DFGA O=C(CCl)N(Cc1sccc1Cl)CC1(CO)CC1 1875382150 SIXHLQGVYGDPFN-UHFFFAOYSA-N 308.230 2.741 50 50 DFGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(C2CC2)n[nH]1 5687125 GOIXNYJFCJWGIC-GIJQJNRQSA-N 307.357 2.841 50 50 DFGA Cc1csc(CN(C[C@@H]2CCCO2)C(=O)[C@H](C)Cl)n1 1875363484 DKYKFJJINLPIPU-QWRGUYRKSA-N 302.827 2.586 50 50 DFGA C[C@@H](Cl)C(=O)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 1875366104 MGYSOZFOYXYVSW-NXEZZACHSA-N 313.747 2.821 50 50 DFGA O=C1OC(=O)c2c(Br)sc(Br)c21 97972184 OQMJQMGTDSIYNQ-UHFFFAOYSA-N 311.938 2.584 50 50 DFGA in-vitro C/C(=N\NC(=O)CSc1ncccn1)c1ccc(Cl)cc1 5010302 XDGVKHPNDVKOPJ-VCHYOVAHSA-N 320.805 2.763 50 50 DFGA CSc1nc(NNC=O)cc(Oc2ccc(Cl)cc2)n1 2029035 ZMESJBAPIVMGBX-UHFFFAOYSA-N 310.766 2.717 50 50 DFGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1ccoc1 4494831 OIOBVIXDDNDDFA-ZDUSSCGKSA-N 304.309 2.888 50 50 DFGA CC[C@H](Br)/C(O)=N/S(=O)(=O)c1ccccc1 40105 CSAZNHFFECGMBK-VIFPVBQESA-N 306.181 2.505 50 50 DFGA Cc1ccc(C(=O)N/N=C\C=C\c2ccc3c(c2)OCO3)cn1 19798147 HZZZIKZKWHMFCE-KSBOVRAFSA-N 309.325 2.548 50 50 DFGA CN(C)c1ccc(/C=N/NC(=O)c2ccc(N(C)C)cc2)cc1 59934 ZMJGGXVHCOSSAX-CPNJWEJPSA-N 310.401 2.583 50 50 DFGA O=C(CCCl)OCCCCOc1ccc(C(=O)O)cc1 2381151 BZCCZYPWQNNMRR-UHFFFAOYSA-N 300.738 2.716 50 50 DFGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)[C@H]1C[C@@H]1c1ccccc1 301235 XWSCVMAVNUNPBO-MAIUNSNDSA-N 309.325 2.849 50 50 DFGA COc1ccccc1-c1cc(C(=O)N/N=C(\C)c2ccco2)[nH]n1 5402687 SVSRNXTXKOCEDM-WOJGMQOQSA-N 324.340 2.832 50 50 DFGA Cc1cccc2c1OCC/C2=N\NC(=O)COc1ccccc1 101559064 ASDMANOYDPMRGA-KNTRCKAVSA-N 310.353 2.677 50 50 DFGA C/C(=N\NC(=O)c1ccc(Br)o1)c1ccncc1 12343213 GIEPDNQPQOHOQY-OVCLIPMQSA-N 308.135 2.591 50 50 DFGA Cc1ccc(C(=O)NNC(=O)c2cc3ccccc3cc2O)cc1 446464 FMOSIBLEMIFIFS-UHFFFAOYSA-N 320.348 2.929 50 50 DFGA Cc1cc(C)nc(S[C@H](C)C(=O)N/N=C/c2cccs2)n1 440181 ZLSOPUSFWXOAHM-OXFWXOROSA-N 320.443 2.786 50 50 DFGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H]1c1ccccc1 4017618 XWSCVMAVNUNPBO-JDPRVQSZSA-N 309.325 2.849 50 50 DFGA O=C(CCC(=O)NN=C1CCCCC1)NN=C1CCCCC1 5725525 YZCXODMHMFFOHZ-UHFFFAOYSA-N 306.410 2.639 50 50 DFGA O=C(CCc1ccccc1)NNC(=O)[C@H]1C[C@H]1c1ccccc1 285779 APLGZUFFCUOBKV-IRXDYDNUSA-N 308.381 2.570 50 50 DFGA Cc1cc(NNC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)nc(C)n1 128904357 DWECZECUOCJSLM-QWRGUYRKSA-N 318.327 2.618 50 50 DFGA C[C@H](Cl)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 1875363798 AJIXKXODKHWDHV-LOWVWBTDSA-N 300.855 2.875 50 50 DFGA O=C(CCl)NNC(=O)c1cc2ccc(Cl)cc2s1 950757347 VXINPXPQFHODPV-UHFFFAOYSA-N 303.170 2.555 50 50 DFGA Cc1ccc(C)c([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c1 292266 AVVIRUYYAIRXNE-OAHLLOKOSA-N 308.337 2.783 50 50 DFGA O=C(/C=C/NNC(=O)c1ccc(Cl)cc1)c1ccccc1 2893254 OQEFVGSZWIKRER-ZHACJKMWSA-N 300.745 2.971 50 50 DFGA O=C(N/N=C/c1cc(Br)ccc1F)c1ccco1 231252 APOYEYIENMQSJW-VIZOYTHASA-N 311.110 2.945 50 50 DFGA C=CCOc1ccccc1C(=O)NNC(=O)Nc1ccccc1 8554829 KXYYVEDGRWCYGL-UHFFFAOYSA-N 311.341 2.718 50 50 DFGA C[C@H](Cl)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 1875363797 AJIXKXODKHWDHV-GVXVVHGQSA-N 300.855 2.875 50 50 DFGA CCOc1ccc(/C=N/NC(=O)COc2ccc(C)cc2)cc1 354624 ATGLFPDUOXGIJR-XDHOZWIPSA-N 312.369 2.923 50 50 DFGA O=C(N/N=C/c1cccc(O)c1)c1cc(-c2cccs2)n[nH]1 5296929 ZCIMIODABQDZHX-CXUHLZMHSA-N 312.354 2.608 50 50 DFGA C=CCOc1ccc(/C=N/NC(=O)COc2ccccc2)cc1 4366397 VMJPYDSVMJYLAB-CPNJWEJPSA-N 310.353 2.781 50 50 DFGA CN(C)c1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)o1 17030788 KHVYXSVRPOWLGI-GXDHUFHOSA-N 302.355 2.684 50 50 DFGA CCOP(=O)(CC(=O)N/N=C/C1CCCCC1)OCC 4989925 GRPNERRIBBHLKA-GXDHUFHOSA-N 304.327 2.935 50 50 DFGA O=C(NNC(=O)c1cccs1)NC12CC3CC(CC(C3)C1)C2 4650750 WAQAOHIHEVSUQY-UHFFFAOYSA-N 319.430 2.661 50 50 DFGA CCc1nnc(N[C@]2(C(F)(F)F)C(O)=NC(C)=C2C#N)s1 40286885 SFBCPXNEFLEIST-JTQLQIEISA-N 317.296 2.581 50 50 DFGA CC1(C)C[C@@H](NC(=O)CCl)CCN(C(=O)OC(C)(C)C)C1 1875369935 RENVJQQUSFRJKT-NSHDSACASA-N 318.845 2.767 50 50 DFGA C[C@@H](Cl)C(=O)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 1875377589 IASPVGSCERAKOT-YPMHNXCESA-N 306.793 2.565 50 50 DFGA C[C@@H](Br)C(=O)NCc1ccc(Br)cc1 235058785 WIEIVWSUAKRJFA-SSDOTTSWSA-N 321.012 2.849 50 50 DFGA CCOc1ccc(/C=C(\C#N)c2n[nH]c(N)c2C#N)cc1OCC 4067323 VNTIDJASRNYHQB-KPKJPENVSA-N 323.356 2.725 50 50 DFGA C[C@@](Cl)(CSSC[C@](C)(Cl)C(=O)O)C(=O)O 2895843 AFEWQUDVTFBYEY-OCAPTIKFSA-N 307.220 2.532 50 50 DFGA COc1ccc(C(=O)NN)cc1COc1ccc(Cl)c(C)c1 373994 SKVWACOAKXBQGM-UHFFFAOYSA-N 320.776 2.840 50 50 DFGA COc1ccc(/C=N/NC(=O)Cn2c(C)nc3ccccc32)cc1 5317903 WPKPBWMWLXEYMI-YBFXNURJSA-N 322.368 2.504 50 50 DFGA S=C=N[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169816986 OLADAAIOVXNIIJ-UHFFFAOYSA-N 317.489 2.756 50 50 DFGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1ccccc1F 292716 JTZPSOSPAHPUCN-CQSZACIVSA-N 316.332 2.861 50 50 DFGA OB(O)c1ccccc1COc1ccc(Cl)c2ccccc12 169903645 IAOBABROWUQOMY-UHFFFAOYSA-N 312.561 2.752 50 50 DFGA C[C@@H](Cl)C(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)CC1 1875380223 IUQHVVDQJYJCOY-NEPJUHHUSA-N 303.830 2.974 50 50 DFGA Cc1cc(=O)oc2ccc(OCC(=O)NNc3ccccc3)cc12 888093262 JDZMUBKARUVKOV-UHFFFAOYSA-N 324.336 2.624 50 50 DFGA O=C(CCc1ccccc1)N/N=C/c1ccc([N+](=O)[O-])s1 282405 QMOZHQVPFUKWQA-XNTDXEJSSA-N 303.343 2.739 50 50 DFGA CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1 86725 XJHRHFFURBXLQZ-HNNXBMFYSA-N 324.336 2.565 50 50 DFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1Cl 287900 MHKWYZIWACFSOF-AWEZNQCLSA-N 318.760 2.985 50 50 DFGA N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCCCc1ccccc1 2557957 GSQOBTOAOGXIFL-LFIBNONCSA-N 322.364 2.754 50 50 DFGA aggregator,in-vitro COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1Cl 469675 OQXBFSKLWDUCNM-CYBMUJFWSA-N 316.748 2.598 50 50 DFGA C[C@H](Cl)C(=O)N1CCc2nnc(-c3cccc(F)c3)cc2C1 1875376102 MLZVWMWXIIIOLW-JTQLQIEISA-N 319.767 2.795 50 50 DFGA O=C(N/N=C/c1ccc2c(c1)OCO2)c1cccc(Cl)c1 55228 QQSHHAQRCLEMDU-CAOOACKPSA-N 302.717 2.833 50 50 DFGA COc1ccc(CN(CC2(O)CCCC2)C(=O)CCl)cc1 1875382644 KTXDOUKDHGWWKE-UHFFFAOYSA-N 311.809 2.568 50 50 DFGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(O)cc1O 731391 JXTUQFNYIZOVLZ-VXLYETTFSA-N 322.320 2.721 50 50 DFGA COc1ccc2nc(NC(=O)CBr)sc2c1 8494131 SBVGQBAOBZZYLD-UHFFFAOYSA-N 301.165 2.638 50 50 DFGA CC[C@@H](C)NC(=S)NNC(=O)c1ccc(C(C)(C)C)cc1 8682459 RUJKTSSBRVCSAY-LLVKDONJSA-N 307.463 2.892 50 50 DFGA O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccccc1Cl 129989 YVIPTYQTDKOHBF-CAOOACKPSA-N 302.717 2.833 50 50 DFGA Cc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccnc4)c32)o1 5818375 YWDVDAAVROUAAF-ZDUSSCGKSA-N 319.324 2.591 50 50 DFGA COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)[C@H](C)Cl)cc1 1875380157 GOSSLVDBZTWKOP-PEYYIBSZSA-N 311.809 2.521 50 50 DFGA C[C@@H](Cl)C(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 1875378039 UPJMYLFXEFNKHI-ZYHUDNBSSA-N 304.781 2.763 50 50 DFGA Cc1cc(C[C@H](C)NC(=O)[C@H](C)Cl)n(-c2ccccc2)n1 1875363810 AVFCSEAPLZCGAB-AAEUAGOBSA-N 305.809 2.855 50 50 DFGA CCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccco2)[nH]n1 232915 JEMFMMCPYWQGRZ-WOJGMQOQSA-N 324.340 2.832 50 50 DFGA CC(C)OC(=O)C[C@@H](NC(=O)CCl)c1ccc(F)cc1F 1615055992 YIGPLSVXQMPKTM-GFCCVEGCSA-N 319.735 2.703 50 50 DFGA C[C@H](SCc1ccccc1)C(=O)NN=C1CCN(C)CC1 55433866 FEKVHGCWWBBFBP-ZDUSSCGKSA-N 305.447 2.506 50 50 DFGA Cc1ncsc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)O)cc1 490663959 MRJMJXSLAPLTMZ-IZZDOVSWSA-N 313.338 2.695 50 50 DFGA CCc1ccc(/C=N/NC(=O)CN2CCCCCCC2)cc1 293555 XPAUAIKBJZJEDC-XMHGGMMESA-N 301.434 2.965 50 50 DFGA CC(C)(C)c1n[nH]c2c1[C@@H](c1cccs1)C(C#N)=C(N)O2 4473496 ZXQGXNFQVCMOIJ-SNVBAGLBSA-N 300.387 2.987 50 50 DFGA C[C@H](C(=O)Nc1cccc(NC(=O)NN(C)C)c1)C(C)(C)C 585087501 YLWABOPFDBSVAL-LLVKDONJSA-N 306.410 2.905 50 50 DFGA Cc1c(C(=O)N/N=C/c2ccc(O)cc2)sc(=S)n1C 442460 KHFNCXASRHCESJ-VGOFMYFVSA-N 307.400 2.594 50 50 DFGA O=C(CI)Nc1nc2ccccc2s1 2532623 TZPWZPRCLDDGGP-UHFFFAOYSA-N 318.139 2.670 50 50 DFGA Cc1cc(NNC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)nc(C)n1 128904787 DWECZECUOCJSLM-MNOVXSKESA-N 318.327 2.618 50 50 DFGA C[Si](C)(C)O[C@@H]1CCCC[C@H]1[P@](=O)(O)CCC(=O)O 195810908 CGVPQNVBTZGOCQ-GHMZBOCLSA-N 308.387 2.894 50 50 DFGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(N(C)C)cc1 242471 WTJPIQUWDJKRLU-APPDUMDISA-N 323.396 2.813 50 50 DFGA CC1(C)OCC(CBr)(CBr)CO1 100003666 CEWDAROJZGKUGQ-UHFFFAOYSA-N 302.006 2.546 50 50 DFGA CCc1ccc(OCC(=O)N/N=C/c2cccc(OC)c2)cc1 437424 FPYSLDGMEIRSFL-XDHOZWIPSA-N 312.369 2.787 50 50 DFGA C[C@@H](Oc1ccc(C#N)cc1)C(=O)N/N=C/C=C/c1ccco1 4647070 IKDYWVLZTONTHL-GTSTVGHQSA-N 309.325 2.734 50 50 DFGA CCO[C@@H]1C[C@H]2[C@H](Cl)[C@H]1NC2(C(F)(F)F)C(F)(F)F 245238502 RSEPZTQGKVOSMQ-VZFHVOOUSA-N 311.653 2.854 50 50 DFGA C/C=C1/C[N@@+]2(C)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1c(O)cccc14 254615396 KXHTZJQVMGTREI-OSOJAXDKSA-O 323.416 2.707 50 50 DFGA biogenic O=C(N/N=C/c1ccc(Br)cc1)c1ccncc1 61332 WJDGJNGJDIMLRB-CXUHLZMHSA-N 304.147 2.608 50 50 DFGA COc1ccc(C(=O)NNC2=NC(C)(C)Cc3ccccc32)cc1 194300 QELNSISJWGTNPI-UHFFFAOYSA-N 323.396 2.711 50 50 DFGA N#CC1=C(N)N(c2ccccc2)NC1(C(F)(F)F)C(F)(F)F 32574 LSLGPAPUUKSHRP-UHFFFAOYSA-N 322.212 2.568 50 50 DFGA C/C(=N\NC(=O)CSc1nc(C)cc(C)n1)c1cccs1 180131 JFQVRCPRNSCAOJ-GZTJUZNOSA-N 320.443 2.787 50 50 DFGA C[C@H](Cl)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 1875363795 AJIXKXODKHWDHV-DMDPSCGWSA-N 300.855 2.875 50 50 DFGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccco3)[nH]n2)cc1 229244 NPSFJWKNBVIRGR-WOJGMQOQSA-N 324.340 2.832 50 50 DFGA O=C(Cn1cnc2ccccc21)N/N=C/c1ccccc1Cl 139032 DOXKSYTXYOETFN-DJKKODMXSA-N 312.760 2.840 50 50 DFGA N#CSc1ccc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1 4840228 ZDORZFHAWPZBFS-HNNXBMFYSA-N 324.361 2.980 50 50 DFGA CC(C)OC(=O)C[C@H](NC(=O)CCl)c1ccc(F)cc1F 1615055993 YIGPLSVXQMPKTM-LBPRGKRZSA-N 319.735 2.703 50 50 DFGA N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1nnc2n1CCCCC2 13109981 RMQNQDLBZOPXTA-UKTHLTGXSA-N 309.329 2.977 50 50 DFGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccccc1Cl 81842 BARCBMOFNAAWDY-CYBMUJFWSA-N 304.733 2.595 50 50 DFGA O=P(C[C@@H](O)C(F)(F)F)(c1ccccc1)c1ccccc1 1496623 UEJWIVQKWSTJFS-CQSZACIVSA-N 314.243 2.924 50 50 DFGA Cc1cc(NNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)nc(C)n1 128904570 DWECZECUOCJSLM-GHMZBOCLSA-N 318.327 2.618 50 50 DFGA CC(C)c1ccc(C(=O)N2CCN(C(=O)[C@H](C)Cl)CC2)cc1 1875363547 IQTPRVDJAZHRGH-ZDUSSCGKSA-N 322.836 2.722 50 50 DFGA Cc1cc2ncn(C[C@H](NC(=O)CCl)C3CC3)c2cc1C 1875364588 XGFGNHLEJFCIBJ-AWEZNQCLSA-N 305.809 2.787 50 50 DFGA O=C(CCl)N1CCc2nc[nH]c2[C@H]1c1cccc(Cl)c1 2325901727 VRVYJMRYIHAKTC-CQSZACIVSA-N 310.184 2.776 50 50 DFGA O=S1(=O)C[C@]23C=C[C@@H](Br)C[C@@]2(CCCC3)C1 104281969 SEEZTZCGPVJVIE-WOPDTQHZSA-N 305.237 2.685 50 50 DFGA CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)ccc1O 231698 IUEDNOAFFUKBPE-WOJGMQOQSA-N 314.341 2.563 50 50 DFGA CNc1ccccc1C(=O)NNC(=O)Nc1c(C)cccc1C 5218670 OGNHPKZNKOBQSA-UHFFFAOYSA-N 312.373 2.812 50 50 DFGA O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2oc1=O 36267 WIMGBVCHPRDPPX-UHFFFAOYSA-N 311.249 2.920 50 50 DFGA biogenic O=C(CN1CCCCCCC1)N/N=C/c1ccc(F)cc1F 4990580 SKSWMFRZTAWWKO-YBFXNURJSA-N 309.360 2.681 50 50 DFGA Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NN 121894 GTNNCFHYKFAPEM-UHFFFAOYSA-N 301.293 2.741 50 50 DFGA COc1ccc(/C=N/NC(=O)c2cc(C)on2)c2ccccc12 372585 SUHMGORTUBMZSY-VCHYOVAHSA-N 309.325 2.909 50 50 DFGA O=P(c1ccccc1)(c1ccccc1)c1cc(O)ccc1O 68600406 LLOXZCFOAUCDAE-UHFFFAOYSA-N 310.289 2.737 50 50 DFGA in-vitro C/C(=N\NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 4611138 VCTCQKCPGHRJBC-XSFVSMFZSA-N 321.380 2.967 50 50 DFGA CCCc1n[nH]c2c1[C@H](c1sccc1C)C(C#N)=C(N)O2 4592616 LVXUCRIVZGSKTI-LLVKDONJSA-N 300.387 2.950 50 50 DFGA COc1ccc(C(=O)N/N=C/[C@H]2C[C@H]3CC[C@H]2C3)cc1OC 101634471 VBNDVYMLZVJADP-PMGZXTEXSA-N 302.374 2.856 50 50 DFGA O=C(CCl)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 1875375075 PQTZOPQXHJYBIO-UHFFFAOYSA-N 320.748 2.568 50 50 DFGA C[C@H](Oc1ccc(C#N)cc1)C(=O)N/N=C/c1ccccc1F 370953 NKFAYIOCMBOUJN-DQAKUKQTSA-N 311.316 2.615 50 50 DFGA CC[C@@H](NC(=O)CCl)C(=O)N[C@@H](C)c1ccc(Cl)s1 1875383724 DKIBXYDMMKHKLV-JGVFFNPUSA-N 323.245 2.712 50 50 DFGA CN(NC(=O)C(C)(C)COCc1ccccc1)c1ccncc1 1875275121 ARLLRUOAVHWFTH-UHFFFAOYSA-N 313.401 2.792 50 50 DFGA COC(=O)N(C)NC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 585119762 SRHNVEIARPHONO-UHFFFAOYSA-N 320.349 2.860 50 50 DFGA CCN(CC)CC(=O)NN=C(c1ccccc1)c1ccccc1 5715138 MLEFKABRWRSMLS-UHFFFAOYSA-N 309.413 2.897 50 50 DFGA CC(C)C[C@@H]1[C@@H]2CN(C(C)C)CC=C2C(C#N)=C(N)C1(C#N)C#N 34954506 CTXSUXDLHLQUJP-IAGOWNOFSA-N 323.444 2.699 50 50 DFGA Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)CCl)cn1 2325903730 IWINYBIZWUPNJW-UHFFFAOYSA-N 312.200 2.841 50 50 DFGA COc1ccc(C(=O)N/N=C\N2CCCc3ccccc32)cc1 33695903 UXFXGALMRNIIEV-UYRXBGFRSA-N 309.369 2.821 50 50 DFGA O=C(N/N=C/c1c[nH]nc1-c1ccc(F)cc1)c1ccccc1O 8553500 FLGOOMQVGBPKHE-KEBDBYFISA-N 324.315 2.685 50 50 DFGA N#CC1=C(N)OC2=C(C(=O)O[C@@H]3C=CC=C[C@H]23)[C@@H]1[C@H]1C=CCCC1 239433734 YJVGQMXEPONXHH-DDHJSBNISA-N 322.364 2.605 50 50 DFGA Cc1occc1C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 28545 FOEKVTYPVNDMPJ-VIZOYTHASA-N 307.693 2.914 50 50 DFGA Cc1cc2c(c(=O)o1)[C@@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 62981 LAGKVMPFAHFVAM-ZDUSSCGKSA-N 314.728 2.820 50 50 DFGA O=C(Cc1c[nH]c2ccccc12)NNC(=S)Nc1ccccc1 2543656 DSQZTVDZCIDKCB-UHFFFAOYSA-N 324.409 2.728 50 50 DFGA COc1ccc(C(=O)N/N=C/c2ccc(F)cc2)cc1OC 1457963 BSVFMDAAEPDCJT-VCHYOVAHSA-N 302.305 2.607 50 50 DFGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C\c1ccc([N+](=O)[O-])cc1 253388572 KPAJWYDGZZITBI-DUVDDBFMSA-N 301.346 2.871 50 50 DFGA O=C(/C=C/c1ccc(Cl)cc1)NNC(=O)c1ccccc1 1383998 DBGPOCBJFZZTMM-DHZHZOJOSA-N 300.745 2.814 50 50 DFGA CCc1ccc(-c2cc(C(=O)N/N=C/c3ccccn3)[nH]n2)cc1 9109862 KSTBYPZYRDPHJC-UDWIEESQSA-N 319.368 2.798 50 50 DFGA O=C(Cc1ccccc1Cl)NNC(=O)Nc1ccccc1 384222 IDECEJFYQUKXRC-UHFFFAOYSA-N 303.749 2.735 50 50 DFGA CC1=C(C(=O)OC(C)C)[C@H](c2ccc(F)cc2)C(C#N)=C(N)O1 77698 JRKDNHZJBRGSEA-OAHLLOKOSA-N 316.332 2.859 50 50 DFGA COC(=O)N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 5093100 QWIOQKLXOSPCHH-NVNXTCNLSA-N 319.273 2.553 50 50 DFGA O=C(NNC(=O)C(F)(F)F)c1sc2ccccc2c1Cl 290557 RNPXFZOHCKGYDU-UHFFFAOYSA-N 322.695 2.878 50 50 DFGA COc1cccc(/C=N/NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c1O 1233861 GWUPTQBVAQQNSD-ACIMENLPSA-N 310.353 2.655 50 50 DFGA C[C@@H](Oc1ccc(C#N)cc1)C(=O)N/N=C/c1ccccc1F 370955 NKFAYIOCMBOUJN-ZICWZVMQSA-N 311.316 2.615 50 50 DFGA CCCNC(=O)c1ccc(OC)c(-c2noc(CCl)n2)c1 34924953 OOFNPENQAWOMGW-UHFFFAOYSA-N 309.753 2.624 50 50 DFGA N#CC1=C(N)OC2=C(C(=O)O[C@@H]3C=CC=C[C@H]23)[C@@H]1[C@@H]1C=CCCC1 226920520 YJVGQMXEPONXHH-AYRXBEOTSA-N 322.364 2.605 50 50 DFGA O=C(CCl)N1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)no1 1875364971 ZVUBTLWYMMTEEW-GFCCVEGCSA-N 323.755 2.702 50 50 DFGA Cn1ncc(Cl)c1C(=O)N/N=C/c1ccc(Cl)s1 999971 HMMKIDQMLZAPLN-YIXHJXPBSA-N 303.174 2.552 50 50 DFGA CC(C)(C)OC(=O)N[C@H](CO)CO[Si](C)(C)C(C)(C)C 170154743 OKOFEVZCVGPZCQ-LLVKDONJSA-N 305.491 2.894 50 50 DFGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)[C@H]1C[C@H]1c1ccccc1 4017616 XWSCVMAVNUNPBO-DYFSNASRSA-N 309.325 2.849 50 50 DFGA CC(C)(CO)[C@H](CNC(=O)/C(C#N)=C\C1CC1)c1ccccc1 279495226 PSBSRZGFOBZAOO-LPPOOGIUSA-N 312.413 2.765 50 50 DFGA CC(C)c1ccc(NC(=S)NNC(=O)c2cccnc2)cc1 13519336 PLTDUXXHYQOSGF-UHFFFAOYSA-N 314.414 2.836 50 50 DFGA O=C1O[C@H](O)[C@@H](c2cc3ccccc3s2)[C@H]1Br 27646774 NDVMCVRVFMHDTO-AXFHLTTASA-N 313.172 2.624 50 50 DFGA in-vitro O=C(NNC1=NCCCCC1)c1ccc(Br)cc1 45487 UOVQMECQMJMJCE-UHFFFAOYSA-N 310.195 2.656 50 50 DFGA CCOC(=O)COc1cccc(N(CCCl)CCCl)c1 1672697 LJMICDABNMOLOE-UHFFFAOYSA-N 320.216 2.913 50 50 DFGA COc1ccc(Cn2nc(C)cc2NC(=O)[C@H](C)Cl)cc1 1875364122 ITWFEAMUPQISOE-NSHDSACASA-N 307.781 2.814 50 50 DFGA Cc1conc1CN(C(=O)CCl)[C@@H]1CC(C)(C)OC1(C)C 1875381991 NCMGGBHUQDANPT-GFCCVEGCSA-N 314.813 2.897 50 50 DFGA Cc1cccc(NC(=O)CCC(=O)N/N=C/c2ccccc2)c1 5548201 KKYGQWCYXKMOFM-CPNJWEJPSA-N 309.369 2.864 50 50 DFGA CCCC1=C(C(=O)OCC)[C@H](c2ccoc2)C(C#N)=C(N)O1 4020007 RFXRDKAJPPEKEQ-CYBMUJFWSA-N 302.330 2.705 50 50 DFGA C[C@@H](Cl)C(=O)NCc1nn(-c2ccccc2)c2c1CCC2 1875363850 BOCFYOSNAPARKW-LLVKDONJSA-N 303.793 2.605 50 50 DFGA CC(=O)Oc1ccc(/C(C)=N/NC(=O)c2ccoc2C)cc1 232442 WMPGVLJVRCWBDM-LICLKQGHSA-N 300.314 2.667 50 50 DFGA COC(=O)c1c(NC(=O)CCl)sc2c1CC[C@H](C)C2 1940276 KVUGJPXQNROMGZ-ZETCQYMHSA-N 301.795 2.837 50 50 DFGA COCc1noc([C@@]2(c3ccccc3)C[C@H]2Br)n1 1775993878 WSWSJKPQAKQFMZ-ZWNOBZJWSA-N 309.163 2.669 50 50 DFGA CCOc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)cc1 5296018 UVPDJHXEESADGQ-WOJGMQOQSA-N 314.389 2.870 50 50 DFGA CCc1n[nH]c2c1[C@@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 351045 IGSQCHAPMYRKTD-LBPRGKRZSA-N 300.749 2.844 50 50 DFGA O=C(NNC(=O)c1ccccc1-n1cccc1)c1ccccc1 1394331 SATGOWLCENJTDP-UHFFFAOYSA-N 305.337 2.552 50 50 DFGA O=C(NN=Cc1c[nH]nc1-c1ccccc1)c1ccccc1O 252679287 KHRDRLYCBAFTTJ-UHFFFAOYSA-N 306.325 2.546 50 50 DFGA O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)C(Cl)Cl 441408 FJGMTCLUJZKVIO-UHFFFAOYSA-N 306.130 2.947 50 50 DFGA O=C(NNc1nccnc1Cl)[C@H]1C[C@@H]1c1c(F)cccc1F 116452449 HWMZRSXMLBEGJO-YUMQZZPRSA-N 324.718 2.655 50 50 DFGA C[C@@H](Cl)C(=O)N(CCc1ccccn1)Cc1cccnc1 1875377775 NFIUFOZHERKOHP-CYBMUJFWSA-N 303.793 2.675 50 50 DFGA C[C@@H](Cl)C(=O)NCc1cccnc1OCc1ccccc1 1875364709 RGSZXJBEBDOZFS-GFCCVEGCSA-N 304.777 2.904 50 50 DFGA Cc1c([N+](=O)[O-])cc(C(=O)NNc2ccccc2)cc1[N+](=O)[O-] 2831436 SPEPGDGLWZANNZ-UHFFFAOYSA-N 316.273 2.568 50 50 DFGA biogenic Cc1c(-c2ccccc2)n[nH]c1C(=O)N/N=C/c1ccc(O)cc1 5297140 CCQUUXJJSUVEDN-YBFXNURJSA-N 320.352 2.855 50 50 DFGA CCOc1ccc(/C=N/NC(=O)COc2ccccc2C)cc1 584662 IOIKKDQUSRZKML-XDHOZWIPSA-N 312.369 2.923 50 50 DFGA CC(C)(C)C1CCC(=NNC(=O)C(=O)NCc2ccco2)CC1 5058982 CAILFIJKSGLPIU-UHFFFAOYSA-N 319.405 2.604 50 50 DFGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](CC(C)C)[C@@H]2C1 106231532 BQJWPHSTVIRLBX-IAGOWNOFSA-N 323.444 2.700 50 50 DFGA O=C(N1CCCSCC1)[C@]12CCC[C@H]1[C@@H]2Br 585121781 ZQWQSPYTHGMGNI-JBLDHEPKSA-N 304.253 2.516 50 50 DFGA O=C(CCl)NCCn1ccc2c(Br)cccc21 1875368797 PYIFPICOJRJQLL-UHFFFAOYSA-N 315.598 2.759 50 50 DFGA CCc1ccc(/C=N/NC(=O)CCn2nnc3ccccc32)cc1 181586 MWBGUCXGRKWXOH-CPNJWEJPSA-N 321.384 2.534 50 50 DFGA C/C(=N\NC(=O)Cc1c(F)cccc1Cl)c1cccnc1 15934355 HWHVBOHDTOXCNX-VXLYETTFSA-N 305.740 2.957 50 50 DFGA CCOC(=O)/C(C#N)=C1/Sc2ccccc2N1CCS 405812 QDAZFOZMNYKQKM-JLHYYAGUSA-N 306.412 2.827 50 50 DFGA Cc1ccc(C(=O)N/N=C/c2cc3ccccc3[nH]c2=O)cc1 4229153 NXKALJUVOLYLDJ-YBFXNURJSA-N 305.337 2.600 50 50 DFGA O=C1c2ccccc2C(=O)N1CCOP(=O)(Cl)Cl 108860926 JQAGSZKTCJBFCO-UHFFFAOYSA-N 308.057 2.885 50 50 DFGA CCOc1ccccc1NC(=O)NNC(=O)c1csc(C)c1 17054936 QYWYZFJWERWLOT-UHFFFAOYSA-N 319.386 2.922 50 50 DFGA CC1(C)OB(c2ccc(C#N)cc2CBr)OC1(C)C 242548284 LHTGMALCZBIYGJ-UHFFFAOYSA-N 322.011 2.752 50 50 DFGA O=C(CCCC[C@@H]1CCSS1)N1CCC2(C1)OCCO2 170623256 JNBHHTRNGBXWJH-GFCCVEGCSA-N 317.476 2.676 50 50 DFGA Cc1cccc(OCC(=O)N/N=C2\CCOc3ccccc32)c1 7041169 YKMMMFPXKNBMOR-KNTRCKAVSA-N 310.353 2.677 50 50 DFGA Nc1nc(CCl)nc(Nc2cccc(C(F)(F)F)c2)n1 313506172 LGWMOPFMUYMEEI-UHFFFAOYSA-N 303.675 2.955 50 50 DFGA C=CCSC1=C(C#N)[C@@H](c2ccc(OC)cc2)CC(=O)N1 8996107 QZCPSVUHENGULI-CYBMUJFWSA-N 300.383 2.953 50 50 DFGA Cc1ccc(C(=O)NNC(=O)c2ccc3ncccc3c2)cc1 1390555 WEPWXCNDQGAQTD-UHFFFAOYSA-N 305.337 2.618 50 50 DFGA Cc1cc(NNC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)nc(C)n1 128904162 DWECZECUOCJSLM-WDEREUQCSA-N 318.327 2.618 50 50 DFGA O=C(NNC(=O)[C@@H]1[C@H]2CCCC[C@H]21)Nc1cccc(Cl)c1 239164764 MWCZHKHFVINOGG-ITGUQSILSA-N 307.781 2.929 50 50 DFGA COC(=O)[C@H](CCCCBr)NC(=O)OC(C)(C)C 136830229 IIUYOGFESPTJLQ-VIFPVBQESA-N 324.215 2.618 50 50 DFGA CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1 208024 GTWNUDOANIKEDY-HNNXBMFYSA-N 308.337 2.729 50 50 DFGA O=C(NNc1nccnc1Cl)[C@@H]1C[C@@H]1c1c(F)cccc1F 116452454 HWMZRSXMLBEGJO-JGVFFNPUSA-N 324.718 2.655 50 50 DFGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(N(C)C)cc1 242460 WTJPIQUWDJKRLU-DIFFPNOSSA-N 323.396 2.813 50 50 DFGA CC(C)[C@H](COC(=O)CCl)CS(=O)(=O)c1ccccc1 43199355 JFGHXSZQHPBDDO-GFCCVEGCSA-N 318.822 2.515 50 50 DFGA CCO/C=C(\C#N)C(=O)N[C@@H]1CCCC[C@H]1OC1CCCC1 584908285 VTPBQZXZNPIYFV-ZTMCPOQVSA-N 306.406 2.817 50 50 DFGA O=C(N/N=C/c1ccc(Br)cc1)c1cccnc1 40895 KVKLWTWNUONLSR-LZYBPNLTSA-N 304.147 2.608 50 50 DFGA COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1OC 196795 LSEROQGCBKTCNC-QGZVFWFLSA-N 323.352 2.504 50 50 DFGA C[C@@H](Cl)C(=O)N1CCC(n2c(O)nc3ccccc32)CC1 1875364327 LLIPNVNIFONGDZ-SNVBAGLBSA-N 307.781 2.533 50 50 DFGA CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNC(=O)CCl 1875369877 NRBQGYJTRNAQRX-NSHDSACASA-N 304.818 2.521 50 50 DFGA COc1cc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)ccc1O 271283 UZOZETKZPHEYDM-UALMWKMKSA-N 310.353 2.655 50 50 DFGA N#C/C(=C\c1ccco1)c1nn(-c2ccccc2)c(N)c1C#N 4974018 MWJNFAUYPLYQFJ-FMIVXFBMSA-N 301.309 2.983 50 50 DFGA O=C(NNC(=O)c1ccccc1-n1cccc1)c1ccc(F)cc1 1394340 GDMTULKFBBSSDP-UHFFFAOYSA-N 323.327 2.691 50 50 DFGA O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccc(O)cc1O 4360470 LHGSQOLLLCQIIG-UFWORHAWSA-N 324.258 2.881 50 50 DFGA C=CCSC1=C(C#N)[C@H](c2ccc(O)c(OC)c2)CC(=O)N1 8995335 XCLWFUBJNVCEGX-NSHDSACASA-N 316.382 2.659 50 50 DFGA COC(=O)c1ncccc1C(Br)Br 100026048 YTGAZDAXWNQXSJ-UHFFFAOYSA-N 308.957 2.657 50 50 DFGA COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)[C@@H](C)Cl)cc1 1875380160 GOSSLVDBZTWKOP-XFJVYGCCSA-N 311.809 2.521 50 50 DFGA CCOC(=O)/C(C#N)=C\c1ccc(/C=C(\C#N)C(=O)OCC)cc1 4776198 TUUWXQUTXGOUAI-CKOAPEAFSA-N 324.336 2.627 50 50 DFGA biogenic,in-vitro C[C@H]1CN(C(=O)c2ccc(NC(=O)[C@H](C)Cl)cc2)C[C@@H](C)O1 1875364269 KFRQOUZNMFFZBW-TUAOUCFPSA-N 324.808 2.502 50 50 DFGA COc1ccc(NC(=O)/C(C#N)=C\c2ccc(C(=O)O)cc2)cc1 4722946 HHMJVAOTSMJLQC-UVTDQMKNSA-N 322.320 2.939 50 50 DFGA C[C@H](Cl)C(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1875380321 LNPOQDDECPVIDR-IUCAKERBSA-N 309.719 2.693 50 50 DFGA CC(C)C[C@@H]1[C@H]2CN(C(C)C)CC=C2C(C#N)=C(N)C1(C#N)C#N 34954508 CTXSUXDLHLQUJP-DLBZAZTESA-N 323.444 2.699 50 50 DFGA CCc1nnc([C@H]2Cc3ccccc3CN2C(=O)[C@@H](C)Cl)o1 1875363493 FAJVRVRRGITBGS-ZWNOBZJWSA-N 319.792 2.885 50 50 DFGA O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc([N+](=O)[O-])o1 226900 CALXTMTXZNDZHA-OVCLIPMQSA-N 307.693 2.534 50 50 DFGA C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(C)cc1 4492172 NMSAAGNZNBOKAB-INIZCTEOSA-N 310.353 2.806 50 50 DFGA COc1ccc(-c2cc(C(=O)NN)c3ccccc3n2)c(OC)c1 2795030 DXNVODKQDCAMKT-UHFFFAOYSA-N 323.352 2.523 50 50 DFGA O=C(Cc1ccccc1)N/N=C/c1ccc(Br)o1 298572 IEKTVSQDBQUXRL-OQLLNIDSSA-N 307.147 2.735 50 50 DFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(F)cc1F 63002 AEIFVTNVVSVYMB-AWEZNQCLSA-N 320.295 2.610 50 50 DFGA O=C(CCl)N[C@H]1CCN(C(=O)c2ccco2)c2ccccc21 1875375179 UBXFMIVZMAOIPH-LBPRGKRZSA-N 318.760 2.726 50 50 DFGA CSc1ccc(/C=N/NC(=O)CN2CCCCCC2)cc1 282984 XJAITNAQLKIWLX-SFQUDFHCSA-N 305.447 2.735 50 50 DFGA O=C(CCc1ccccc1)NNC(=O)[C@@H]1C[C@H]1c1ccccc1 285780 APLGZUFFCUOBKV-DLBZAZTESA-N 308.381 2.570 50 50 DFGA CN(CC[C@H](O)c1ccc(Br)cc1)C(=O)CCl 1875387029 KJYXTROZIKSQEK-NSHDSACASA-N 320.614 2.570 50 50 DFGA COc1cc(C(=O)N/N=C/c2cc(Cl)ccc2O)ccc1O 440034 ZKFFUSPHGQGUNT-CAOOACKPSA-N 320.732 2.524 50 50 DFGA COc1ccc(C(=O)N/N=C/c2c[nH]c3ccccc23)cc1OC 1457939 HFTAGRNJCXTLMN-RGVLZGJSSA-N 323.352 2.949 50 50 DFGA CC(C)(C)OC(=O)N[C@@H](CO)CO[Si](C)(C)C(C)(C)C 195816874 OKOFEVZCVGPZCQ-NSHDSACASA-N 305.491 2.894 50 50 DFGA in-vitro CCN(CC)C(=O)CP(=O)(c1ccccc1)c1ccccc1 300800 QUTVNRNRHMSRNE-UHFFFAOYSA-N 315.353 2.869 50 50 DFGA Cc1ccc(OCC(=O)N/N=C2\CCOc3ccccc32)cc1 39004498 YKUMEOLUOLSRMR-KNTRCKAVSA-N 310.353 2.677 50 50 DFGA O=C(N/N=C/c1cccc(Br)c1)c1ccccn1 227843 MTGQLKJIZUCMQL-CXUHLZMHSA-N 304.147 2.608 50 50 DFGA COC(=O)C[C@H](NC(=O)CCl)c1cc(Cl)cc(Cl)c1 1616033080 ZYXHXYJQOPRKLC-JTQLQIEISA-N 324.591 2.953 50 50 DFGA CCOC(=O)c1ccc(NC(=O)[C@@H](Br)CC)cc1 32919713 GKGURBYHLYSDLC-NSHDSACASA-N 314.179 2.975 50 50 DFGA O=C(N=c1[nH]sc2ccc(Br)cc12)[C@H](F)Cl 2325901413 DYADMMKIFXWWMJ-ZETCQYMHSA-N 323.574 2.954 50 50 DFGA CN(C)c1ccc(P(C)(=O)c2ccc(N(C)C)cc2)cc1 224297956 NPCLRRKWRPRFDR-UHFFFAOYSA-N 302.358 2.762 50 50 DFGA C[C@H](Cl)C(=O)NCC1CCN(c2ccccc2C#N)CC1 1875364258 MCSGUDZULPPTAE-LBPRGKRZSA-N 305.809 2.518 50 50 DFGA COc1ccc(CN(C[C@H]2CCCO2)C(=O)CCl)cc1F 1875382573 HKCKWBWQGUSCNS-GFCCVEGCSA-N 315.772 2.581 50 50 DFGA CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)NN 276164 UBCCIEFULPTPJD-LLVKDONJSA-N 323.190 2.750 50 50 DFGA C/C(=N\NC(=O)c1cc(Br)ccc1O)c1ccco1 4990080 AXLUUVIIIDSNQC-OVCLIPMQSA-N 323.146 2.902 50 50 DFGA Cn1cccc1-c1cc(C(=O)N/N=C/C=C/c2ccccc2)[nH]n1 5072730 GERRQXCIZOVTMW-QJEBJFPOSA-N 319.368 2.844 50 50 DFGA CC(=O)Oc1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)cc1 3893070 VZEYQZBYDOKOHE-RVDMUPIBSA-N 322.368 2.994 50 50 DFGA Cc1cc(C)cc(CN(C[C@H](C)[S@@](C)=O)C(=O)CCl)c1 1875374262 HRBQLVYZFHCTLI-RNODOKPDSA-N 315.866 2.638 50 50 DFGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C\c1ccc([N+](=O)[O-])cc1 253388573 KPAJWYDGZZITBI-ODQSYCQDSA-N 301.346 2.871 50 50 DFGA C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1O 556995 OCWOBFMMVYPPKE-VDCVXVNISA-N 318.760 2.963 50 50 DFGA O=[P@]1(N(CCCl)CCCl)OCCCN1CCCl 1571392 UMKFEPPTGMDVMI-KRWDZBQOSA-N 323.588 2.835 50 50 DFGA world CCCc1n[nH]c2c1[C@H](c1ccc(C)s1)C(C#N)=C(N)O2 9271156 FDIVQFHYVIYOHC-LBPRGKRZSA-N 300.387 2.950 50 50 DFGA NNC(=O)c1cccc(COc2ccccc2Br)c1 370195 JSXKLQRJLWUDJY-UHFFFAOYSA-N 321.174 2.632 50 50 DFGA CC(C)(SCc1ccccc1)[C@H](NC(=O)CCl)C(=O)O 71766979 XUJDVUAUJGIDGK-GFCCVEGCSA-N 315.822 2.507 50 50 DFGA N#CSc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 241588058 OZGIPJLNNMFLFM-DUBDDPSESA-N 314.366 2.721 50 50 DFGA CCN(CC)Cc1cc(OC)c(OC)cc1NC(=O)CCl 96027766 FTRGLUBFIOYLOV-UHFFFAOYSA-N 314.813 2.723 50 50 DFGA C[C@H](Cl)C(=O)NC[C@@H]1CCCC[C@H]1OCC(F)(F)F 1875364661 PPSDRRKXICWDDR-LPEHRKFASA-N 301.736 2.868 50 50 DFGA O=C(Cc1c[nH]c2ccccc12)N/N=C/c1ccc([N+](=O)[O-])cc1 258257 OUAAEIROPMQJME-VXLYETTFSA-N 322.324 2.769 50 50 DFGA C[C@@H](Cl)C(=O)N(C[C@H]1C[C@H]2C=C[C@H]1C2)C1CCN(C)CC1 1875380593 SYUUJAGREAVKSJ-CBBWQLFWSA-N 310.869 2.749 50 50 DFGA COc1ccc(OC)c(/C=N/NC(=O)c2cc(C)oc2C)c1 228268 YZCLGWZFASQZPY-RQZCQDPDSA-N 302.330 2.678 50 50 DFGA Cc1ccccc1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 4893435 JBXJBHYCIRIQQM-UHFFFAOYSA-N 312.413 2.972 50 50 DFGA Cc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(F)(F)F)c32)cc1 76440 SAPCGJAMPYFOIL-SNVBAGLBSA-N 320.274 2.955 50 50 DFGA CC[C@H](NC(=O)[C@@H](C)Cl)[C@@H](c1ccc(C)cc1)n1cncn1 1875378181 WRKVJIDOVGXWJM-VHDGCEQUSA-N 320.824 2.698 50 50 DFGA Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1ccc(Cl)cc1 55871 XWFQWSXTYCNYDN-RQZCQDPDSA-N 304.781 2.763 50 50 DFGA Cc1ccc(N(Cc2cn(CC3CC3)nn2)C(=O)CCl)cc1 1875382261 WLUFRBORKUWLIO-UHFFFAOYSA-N 318.808 2.769 50 50 DFGA NNC(=O)c1ccc(OCc2ccc(Br)cc2)cc1 226328801 CUFFXXAFHAJFEP-UHFFFAOYSA-N 321.174 2.632 50 50 DFGA CCOC(=O)C1=C(CCl)N(CC)C(=O)N[C@@H]1c1ccccc1 2731890 AAMSFRFHUPQLEG-CQSZACIVSA-N 322.792 2.829 50 50 DFGA Cc1cc(C)n(C[C@H]2CN(/C(=C/C#N)c3ccccc3)CCO2)n1 170654768 PZJHLOAGDFZRCU-NXFFSXPPSA-N 322.412 2.765 50 50 DFGA CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1cccs1 58563 QPTWIFBEVOMTSS-NSHDSACASA-N 324.789 2.612 50 50 DFGA O=C(CCn1nnc2ccccc21)N/N=C/C=C/c1ccccc1 2196200 SKIUKAARLLGZPZ-MHTHSFAKSA-N 319.368 2.637 50 50 DFGA C/C(=N\NC(=O)c1ccncc1)c1cccc(Br)c1 17002182 NCQUWYAKIXKZQA-LICLKQGHSA-N 318.174 2.998 50 50 DFGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1n[nH]c2c1CCC2 8921665 NAJVLNQYSCBKKC-REZTVBANSA-N 323.183 2.969 50 50 DFGA CC(C)(C)OC(=O)NCCNC(=O)[C@@H](Cl)c1ccccc1 95217809 NQOXRAPQSCGNMP-LBPRGKRZSA-N 312.797 2.607 50 50 DFGA O=C(CCl)N(Cc1cccc(Cl)c1F)[C@H]1CC[C@@H](O)C1 1875382586 IBJKGRVKUWDNCF-WDEREUQCSA-N 320.191 2.960 50 50 DFGA CCc1[nH]nc2c1[C@H](c1ccc(Cl)s1)C(C#N)=C(N)O2 5130133 ODHHVXMHAKYRBB-JTQLQIEISA-N 306.778 2.905 50 50 DFGA CC(C)n1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)n1 1875280308 RICNGEZPEXLKBK-FOWTUZBSSA-N 308.385 2.730 50 50 DFGA O=C(N/N=C/c1cccc(O)c1)c1ccc(Br)o1 438133 NVIGUAIJBGUWHS-VGOFMYFVSA-N 309.119 2.512 50 50 DFGA COc1ccc(NCC(=O)N/N=C(\C)c2ccc(C)cc2)cc1 5740265 NHHHZVHJZJZXGP-XSFVSMFZSA-N 311.385 2.956 50 50 DFGA COc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)c(OC)c2)cc1 5023753 TZZLZNRHOVAVGN-LCYFTJDESA-N 324.336 2.955 50 50 DFGA CC(/C=C/c1ccc2c(c1)OCO2)=N\NC(=O)c1ccccn1 135263 XJRVDOCTJQYKAO-AIPJJBHZSA-N 309.325 2.629 50 50 DFGA CCN1CCN(C(=O)CCCC[C@H]2CCSS2)CC1 302692775 WMFISVPFGQKPON-ZDUSSCGKSA-N 302.509 2.865 50 50 DFGA CCOc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 498064 GRNHFARKJXUESE-GZTJUZNOSA-N 313.313 2.757 50 50 DFGA C/C(=N\NC(=O)c1cc(-c2ccco2)n[nH]1)c1ccccc1O 6021488 PCFHGWIMDSOMQB-LICLKQGHSA-N 310.313 2.529 50 50 DFGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1O 65108 UAPGHVZJPXGNMG-LZYBPNLTSA-N 319.704 2.718 50 50 DFGA CCc1n[nH]c2c1[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 5095150 BEKLSNJNLLWANK-LLVKDONJSA-N 318.739 2.983 50 50 DFGA Cc1scc(C(=O)N/N=C/c2ccc3c(c2)OCO3)c1C 2783166 ITDRTNHQJOSUEF-OMCISZLKSA-N 302.355 2.858 50 50 DFGA CC(C)(C)c1ccc(C(=O)NNC(=O)Cc2ccccc2)cc1 299686 ZFLFROCKVOGVIJ-UHFFFAOYSA-N 310.397 2.988 50 50 DFGA CCOC(=O)C(CCCCCBr)C(=O)OCC 2169069 JZCAZGWJCVMTTQ-UHFFFAOYSA-N 309.200 2.684 50 50 DFGA in-vitro COc1ccccc1OCC(=O)N/N=C/C=C/c1ccccc1 1956398 DOLBXSJUNHEVBB-CIOYMBLNSA-N 310.353 2.889 50 50 DFGA biogenic CCc1cc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cs1 2754883 NYAYWLYVOCSUEN-FRKPEAEDSA-N 302.355 2.803 50 50 DFGA NC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 4366158 HKCUOCGBQOBXSZ-GIJQJNRQSA-N 317.732 2.561 50 50 DFGA O=C(CCl)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 1319923716 ZBNOMHROYUVRPN-LBPRGKRZSA-N 319.207 2.971 50 50 DFGA COc1ccccc1C(=O)NNC(=O)Nc1cccc(Cl)c1 2165562 IQMRKGWPPBDSSW-UHFFFAOYSA-N 319.748 2.815 50 50 DFGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccc(Cl)c1 62987 FGRUZBDOLSGWJX-CYBMUJFWSA-N 304.733 2.595 50 50 DFGA Cc1csc(CN(C[C@H]2CCCO2)C(=O)[C@@H](C)Cl)n1 1875363482 DKYKFJJINLPIPU-GHMZBOCLSA-N 302.827 2.586 50 50 DFGA CCOc1ccccc1/C=N/NC(=O)c1ccccc1[N+](=O)[O-] 38926 VWVVEGBBRTVWPF-GZTJUZNOSA-N 313.313 2.757 50 50 DFGA CC(C)(C)OC(=O)N1CCC[C@H]([C@@H](Br)C=O)C1 1857781410 PKGDNLMCPGZXCB-UWVGGRQHSA-N 306.200 2.596 50 50 DFGA Cc1nn(C)c(NNC(=O)[C@@H](C)c2cc3ccccc3o2)c1C#N 1875349623 FNSNTXPIFLPPFQ-JTQLQIEISA-N 323.356 2.593 50 50 DFGA C[C@@H](Cl)C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O 1875363567 JRLPUXUEYWLKOW-SKDRFNHKSA-N 315.200 2.531 50 50 DFGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1n[nH]c2c1CCCC2 54122 HXSYAPQUZCARQP-VXLYETTFSA-N 321.384 2.842 50 50 DFGA O=C(Cc1c[nH]c2ccccc12)N/N=C/c1nc2ccccc2[nH]1 5323758 SEKUIYVLEPNLAS-RGVLZGJSSA-N 317.352 2.737 50 50 DFGA COc1ccc(/C(C)=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 4578153 UUIBPIHOSOAMNF-GZTJUZNOSA-N 313.313 2.757 50 50 DFGA CC(=O)Nc1ccc(/C=N/NC(=O)/C=C/c2ccccc2)cc1 1741038 GNWOWXPAOBJRBH-CBLICJDJSA-N 307.353 2.809 50 50 DFGA Cc1cc(C(=O)NNC(=S)N[C@H](C)c2ccccc2)cs1 8855132 JGUCOZVLFOIBOG-LLVKDONJSA-N 319.455 2.927 50 50 DFGA O=C(OCCCl)N1CCc2nc(Cl)nc(Cl)c2C1 95829811 XTPGBWKSANWNCN-UHFFFAOYSA-N 310.568 2.517 50 50 DFGA C[C@@H](Cl)OC(=O)N1CCc2nc(Cl)nc(Cl)c2C1 95829813 HTUVXXIFOPOXHY-YFKPBYRVSA-N 310.568 2.863 50 50 DFGA CC1CCN(/C(N)=C(\C#N)c2ccc(C(F)(F)F)cn2)CC1 221914884 UORCPDDAYURCEH-WYMLVPIESA-N 310.323 2.983 50 50 DFGA Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2Cl)c1 3008902 OSUYVPKYFNOUDZ-VCHYOVAHSA-N 315.760 2.737 50 50 DFGA CCCc1n[nH]c2c1[C@@H](c1sccc1C)C(C#N)=C(N)O2 4592615 LVXUCRIVZGSKTI-NSHDSACASA-N 300.387 2.950 50 50 DFGA O=C(CCl)NCCNc1ncc(C(F)(F)F)cc1Cl 20246933 PXOKQWFQXCEYDL-UHFFFAOYSA-N 316.110 2.521 50 50 DFGA CCCC(=O)NC(=O)/C(C#N)=C/Nc1cc(Cl)ccc1C 2027415 DOTIHMNFOIGDGM-PKNBQFBNSA-N 305.765 2.911 50 50 DFGA Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1cccs1 2892448 CUBQVBPKRGXJHP-LZYBPNLTSA-N 321.789 2.799 50 50 DFGA COc1cccc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)c1O 4956745 GWUPTQBVAQQNSD-UALMWKMKSA-N 310.353 2.655 50 50 DFGA COc1ccc(/C=N/NC(=O)C2[C@H]3CCCC[C@H]23)c(OC)c1 100381926 GQVZIQXHUKCTKJ-JXIDHOQNSA-N 302.374 2.590 50 50 DFGA C[C@@]12C[C@@H](OC1=O)[C@H](Br)C[C@H]2C(=O)c1ccccc1 43762210 RLHYKMYIDPYLKI-YFCNSXCBSA-N 323.186 2.975 50 50 DFGA ICCCCI 6827713 ROUYUBHVBIKMQO-UHFFFAOYSA-N 309.916 2.637 50 50 DFGA in-vitro N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(F)c(F)c1 293414 XNYBUQLOTLNRRD-CQSZACIVSA-N 302.280 2.780 50 50 DFGA CCCc1cc(C(=O)NNC(=S)NCc2ccco2)cs1 609516 GWLOVNKVWPNVBM-UHFFFAOYSA-N 323.443 2.603 50 50 DFGA C[C@H](Cl)C(=O)N(CCc1ccccn1)Cc1cccnc1 1875377776 NFIUFOZHERKOHP-ZDUSSCGKSA-N 303.793 2.675 50 50 DFGA CCOc1ccccc1/C=N/NC(=O)c1cc(C(C)C)[nH]n1 5686534 LHXSIRMAEIXLFR-LICLKQGHSA-N 300.362 2.696 50 50 DFGA C[C@H](Cl)C(=O)Nc1cccc(-c2cn3cccnc3n2)c1 1875364782 UFNXMBKZGWRJIQ-JTQLQIEISA-N 300.749 2.962 50 50 DFGA COc1ccc(/C(C)=N\NC(=O)c2ccc(O)cc2)c(OC)c1 4963956 MNNFPFQPSJSWPQ-WQRHYEAKSA-N 314.341 2.563 50 50 DFGA COc1cccc(OC(F)(F)F)c1CNC(=O)[C@H](C)Cl 1875376023 LZXBSCJAXZXXJJ-ZETCQYMHSA-N 311.687 2.837 50 50 DFGA O=C(N/N=C/c1c(Cl)cccc1Cl)c1n[nH]c2c1CCC2 4312303 SCQJZIXFYSLHFR-REZTVBANSA-N 323.183 2.969 50 50 DFGA O=C(Cc1cccc2ccccc12)NNC(=O)c1cccs1 320253 NGYCBFIIGJUGDV-UHFFFAOYSA-N 310.378 2.905 50 50 DFGA COC(=O)N[C@@H](O)C(Cl)(Cl)[C@@H](Cl)c1ccccc1 3122218 JWPSPSHAERZDKC-IUCAKERBSA-N 312.580 2.815 50 50 DFGA CC[C@H](NC(=O)[C@H](C)Cl)[C@@H](c1ccc(C)cc1)n1cncn1 1875378178 WRKVJIDOVGXWJM-AEGPPILISA-N 320.824 2.698 50 50 DFGA CCOc1ccccc1C(=O)N/N=C/c1ccc(N(C)C)cc1 234040 RJVJVAZDXFYVKD-CPNJWEJPSA-N 311.385 2.915 50 50 DFGA O=C(N/N=C/c1cccs1)C(=O)Nc1cccc2ccccc12 4327588 RRMJEUKVCOVMFV-WOJGMQOQSA-N 323.377 2.990 50 50 DFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(C)cc1C 42441 KNDRRLSJLIUYKU-MRXNPFEDSA-N 312.369 2.948 50 50 DFGA Cc1cccc(C(=O)NNC(=O)c2ccccc2-n2cccc2)c1 1394343 XEWFPDPJRRQGQY-UHFFFAOYSA-N 319.364 2.861 50 50 DFGA COc1cccc([C@@H]2C(=O)OC(=O)[C@H]2c2ccccc2)c1OC 100660318 JLYAXHWUYMTISX-GJZGRUSLSA-N 312.321 2.655 50 50 DFGA CCn1ncc(/C=N/NC(=O)c2csc3c2CCCC3)c1C 2761721 MBQBKBNWTNTSEJ-CAOOACKPSA-N 316.430 2.916 50 50 DFGA C[C@@H](Cl)C(=O)NC[C@@H](N(C)Cc1ccccc1)C(F)(F)F 1875380256 JZAWDFOCVXQATD-ZYHUDNBSSA-N 322.758 2.793 50 50 DFGA CCc1nnc([C@@H]2Cc3ccccc3CN2C(=O)[C@H](C)Cl)o1 1875363490 FAJVRVRRGITBGS-GWCFXTLKSA-N 319.792 2.885 50 50 DFGA COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c1OC 284802 UEQCCVNCIGCLIK-MRXNPFEDSA-N 324.336 2.628 50 50 DFGA O=C(N=c1[nH]sc2ccc(Br)cc12)[C@@H](F)Cl 2325901412 DYADMMKIFXWWMJ-SSDOTTSWSA-N 323.574 2.954 50 50 DFGA CC(C)c1ccc(/C=N/NC(=O)C(=O)NC2CCCCC2)cc1 2892313 OZXZGXNZMDEUKW-XDHOZWIPSA-N 315.417 2.709 50 50 DFGA O=S(=O)(NCCc1ccccc1)c1ccc(N=C=S)cc1 19737313 UOFBUEDYWWDJLK-UHFFFAOYSA-N 318.423 2.942 50 50 DFGA C[C@@](Br)([C@@H](Br)C(=O)O)C(F)(F)F 16082636 VXYLFCNIZVCLAV-ZAFYKAAXSA-N 313.895 2.550 50 50 DFGA O=P(Cc1cccc[n+]1[O-])(c1ccccc1)c1ccccc1 282065 FJBCXHIEFHPWSK-UHFFFAOYSA-N 309.305 2.834 50 50 DFGA Cc1ccc(O[C@@H]2C(=O)OC(=O)[C@@H]2Oc2ccc(C)cc2)cc1 101010288 SAOJMKVUBZJOHH-IYBDPMFKSA-N 312.321 2.582 50 50 DFGA CCOc1ccc(C(=O)N/N=C\c2ccc(OC)c(O)c2)cc1 100323264 MQZGPLMMQUUVBZ-WQRHYEAKSA-N 314.341 2.563 50 50 DFGA CCc1nnc(N[C@@]2(C(F)(F)F)C(O)=NC(C)=C2C#N)s1 40286884 SFBCPXNEFLEIST-SNVBAGLBSA-N 317.296 2.581 50 50 DFGA C[C@H](Cl)C(=O)N(C[C@@H]1C[C@H]2C=C[C@H]1C2)C1CCN(C)CC1 1875380592 SYUUJAGREAVKSJ-AJNGGQMLSA-N 310.869 2.749 50 50 DFGA CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(N)ccc21 2485705 LVKPSJYPXBVNCF-QGZVFWFLSA-N 307.353 2.886 50 50 DFGA C/C(=N\NC(=O)c1cccnc1)c1cccc(Br)c1 4976246 LRNJNTMTKNPYQY-LICLKQGHSA-N 318.174 2.998 50 50 DFGA COc1ccccc1C(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1 4996187 NHCIEIMPYBPGMF-GZTJUZNOSA-N 313.313 2.757 50 50 DFGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccco3)[nH]n2)s1 8558629 QZEKYQXMWFLMGX-OVCLIPMQSA-N 300.343 2.804 50 50 DFGA Cc1nn(C)c(NNC(=O)[C@H](C)c2cc3ccccc3o2)c1C#N 1875349624 FNSNTXPIFLPPFQ-SNVBAGLBSA-N 323.356 2.593 50 50 DFGA O=C(N/N=C/c1ccccc1Br)c1ccccc1O 272063 RHVJINZCDGNUKS-CXUHLZMHSA-N 319.158 2.919 50 50 DFGA C/C(=N\NC(=O)c1ccc(O)cc1O)c1ccc(Cl)cc1 4989656 CJKKWXOSUTXPKP-RQZCQDPDSA-N 304.733 2.905 50 50 DFGA O=C1O[C@H](O)[C@H](c2cc3ccccc3s2)[C@H]1Br 45027500 NDVMCVRVFMHDTO-MXWKQRLJSA-N 313.172 2.624 50 50 DFGA in-vitro COc1ccc(OC)c(/C=N/NC(=O)c2c[nH]c3ccccc23)c1 5005811 YGJQWQIGOUIORY-KEBDBYFISA-N 323.352 2.949 50 50 DFGA O=C(N/N=C/c1coc2ccccc2c1=O)c1ccccc1F 20533759 DLKZDZQTZQIOLH-DJKKODMXSA-N 310.284 2.696 50 50 DFGA CC[C@@H]1Oc2cc([C@@H](C)NC(=O)[C@@H](C)Cl)ccc2NC1=O 1875364317 NSRROFZMLTUMTJ-LNLATYFQSA-N 310.781 2.601 50 50 DFGA O=C(N/N=C/c1c[nH]c2ccccc12)c1ccccc1[N+](=O)[O-] 39345 BZJZKPTWZLVEKX-VCHYOVAHSA-N 308.297 2.840 50 50 DFGA C/C(=N\NC(=O)c1cc(C(C)(C)C)n[nH]1)c1ccccc1O 18210884 NOJNJBMQHUSUSW-LICLKQGHSA-N 300.362 2.567 50 50 DFGA O=C(N/N=C/c1ccccc1Cl)c1[nH]nc2c1CCCC2 4311599 DWZWVADRKITVKP-RQZCQDPDSA-N 302.765 2.706 50 50 DFGA CC(C)CN(C(=O)CCl)c1cccc(N2CCOCC2)c1 1875374219 GALMFEHVSJDFKA-UHFFFAOYSA-N 310.825 2.751 50 50 DFGA CC(C)(C)[Si](C)(C)Oc1c(Cl)ccc(B(O)O)c1F 169934483 ULJYVSNUMFICIW-UHFFFAOYSA-N 304.630 2.543 50 50 DFGA O=C1O[C@H](O)[C@@H](c2cc3ccccc3s2)[C@@H]1Br 27646764 NDVMCVRVFMHDTO-DCAQKATOSA-N 313.172 2.624 50 50 DFGA in-vitro O=C1ON=C(CCl)/C1=C\c1cccc(Br)c1 34926734 OBFMKLDHECOPIV-WEVVVXLNSA-N 300.539 2.984 50 50 DFGA Cc1cccc(OCC(=O)N/N=C2\CCOc3c(C)cccc32)c1 43761369 HMLRDHNVXZYSNG-LVZFUZTISA-N 324.380 2.985 50 50 DFGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(O)cc1 250786 HVUYKBHEXIJSMB-LZYBPNLTSA-N 319.704 2.718 50 50 DFGA CCOc1ccccc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 432018 XZEXNWQEWRGMLU-GZTJUZNOSA-N 313.313 2.757 50 50 DFGA Cc1ccccc1[Si](O)(c1ccccc1C)c1ccccc1C 169815954 DTAPTLBLKILOPC-UHFFFAOYSA-N 318.492 2.571 50 50 DFGA O=C(Cc1ccccc1)NNC(=O)c1ccc(Cl)c(Cl)c1 2141547 XBCXTNSXLMVHKU-UHFFFAOYSA-N 323.179 2.997 50 50 DFGA N#CSc1ccc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1 4840227 ZDORZFHAWPZBFS-OAHLLOKOSA-N 324.361 2.980 50 50 DFGA C[C@@H](Oc1ccccc1)C(=O)N/N=C1\CCOc2ccccc21 6491418 TYXINDVLMGYACC-OOESYIKTSA-N 310.353 2.757 50 50 DFGA C[C@H](Cl)C(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 1875364271 KFRQOUZNMFFZBW-UTUOFQBUSA-N 324.808 2.502 50 50 DFGA CCc1nnc([C@@H]2Cc3ccccc3CN2C(=O)[C@@H](C)Cl)o1 1875363492 FAJVRVRRGITBGS-MFKMUULPSA-N 319.792 2.885 50 50 DFGA Cc1ccccc1/C=N\NC(=O)c1ccc(Cn2cccn2)o1 13111710 SPAFIDLFOCZKNN-WQRHYEAKSA-N 308.341 2.597 50 50 DFGA COc1ccc(/C(C)=N/NC(=O)c2ccoc2C)cc1OC 308263 ZNOGDPUSKCYWDJ-LICLKQGHSA-N 302.330 2.759 50 50 DFGA CC(=N/NC(=O)c1ccccc1)/C(C)=N/NC(=O)c1ccccc1 17995453 AYQQDKPKRPSTOL-LRVMPXQBSA-N 322.368 2.598 50 50 DFGA O=C(CCl)NCC(=O)N(c1ccccc1)c1ccccc1 1875374382 MXRHMXLEHWTTJE-UHFFFAOYSA-N 302.761 2.706 50 50 DFGA C[C@H](Cl)C(=O)N(CCOc1ccccc1)C1CCOCC1 1875377898 QLXUUCOGJHQJMR-ZDUSSCGKSA-N 311.809 2.700 50 50 DFGA CCCc1ccc(OCC(=O)N/N=C/c2ccc(O)cc2)cc1 4372690 GZKDKLWUHLQCFN-XDHOZWIPSA-N 312.369 2.874 50 50 DFGA CCCc1[nH]nc2c1[C@H](c1cccc(OC)c1)C(C#N)=C(N)O2 5075290 RHTSRTGEUXBWNH-CQSZACIVSA-N 310.357 2.589 50 50 DFGA CCOc1ccc(OCc2ccc(/C=C(\C#N)C(N)=O)o2)cc1 6948382 RTZUNAQXPJTXFI-FMIVXFBMSA-N 312.325 2.650 50 50 DFGA Cc1cc(C[C@@H](C)NC(=O)[C@@H](C)Cl)n(-c2ccccc2)n1 1875363811 AVFCSEAPLZCGAB-DGCLKSJQSA-N 305.809 2.855 50 50 DFGA O=C1Oc2ccccc2[C@H](Br)[C@H]1Br 100039586 KJKAAETZDLJFKU-JGVFFNPUSA-N 305.953 2.805 50 50 DFGA O=C(CCl)N[C@H]1CCCc2c1cnn2Cc1ccccc1 381621979 CQPOBEDPPPVQHY-AWEZNQCLSA-N 303.793 2.664 50 50 DFGA CCc1occ(C)c1C(=O)NCCSSCCC(=O)O 1875388512 FAPSYUAHZLXEOW-UHFFFAOYSA-N 317.432 2.736 50 50 DFGA CC[C@@H](C(=O)NCCSSCCC(=O)O)C(F)(F)F 1875354911 SUQDJIBGOHSLIR-ZETCQYMHSA-N 319.370 2.547 50 50 DFGA C[C@@H](Cl)C(=O)N1CCc2nnc(-c3cccc(F)c3)cc2C1 1875376103 MLZVWMWXIIIOLW-SNVBAGLBSA-N 319.767 2.795 50 50 DFGA O=C(NNC(=O)c1ccccc1Br)c1ccccc1 290794 WCMGVEILQBCSDG-UHFFFAOYSA-N 319.158 2.524 50 50 DFGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccncc2)[C@H]2CCCC=C12 19818655 LYNQWMKXNJUABN-HOCLYGCPSA-N 301.353 2.675 50 50 DFGA CC(C)[C@@H](NC(=O)CCCC[C@H]1CCSS1)C(=O)O 221414222 RTTUGKYFSHUCBM-CMPLNLGQSA-N 305.465 2.926 50 50 DFGA O=C(NNc1ccc(Cl)nn1)[C@@H]1C[C@H]1c1cc(F)ccc1F 170644276 UQJVBSZJTMDSOL-WCBMZHEXSA-N 324.718 2.655 50 50 DFGA CC[C@H](Br)C(=O)Nc1ccccc1C(=O)OC 32919659 FGAQUMDVDVWCRH-VIFPVBQESA-N 300.152 2.585 50 50 DFGA COc1ccc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1 142945 YRXCIBABRUJYRN-UHFFFAOYSA-N 319.748 2.815 50 50 DFGA O=C1O[C@H]2C[C@@]34CCCC[C@]3(C[C@@H]2I)[C@H]14 254854580 PEFIJDLONBYQKX-DWFQIMNCSA-N 318.154 2.686 50 50 DFGA C[C@@H](Oc1ccc(Cl)cc1)C(=O)NN=Cc1ccccc1O 245229132 OCWOBFMMVYPPKE-LLVKDONJSA-N 318.760 2.963 50 50 DFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccccc1Cl 287897 MHKWYZIWACFSOF-CQSZACIVSA-N 318.760 2.985 50 50 DFGA CCCCCC(=O)NNC(=O)c1ccc(Br)cc1 2865092 WVSJOKZKTKDRJR-UHFFFAOYSA-N 313.195 2.790 50 50 DFGA O=C(CCl)NC[C@@H]1CN(Cc2ccccc2)CC12CCC2 693672661 SKXDWSYTBBWNIP-OAHLLOKOSA-N 306.837 2.644 50 50 DFGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)c(OC)c1 2485619 ROTNFDJJWGEWTH-KRWDZBQOSA-N 323.352 2.504 50 50 DFGA C[C@H](Cl)C(=O)N1CCC[C@H]1c1nccc(C(F)(F)F)n1 1875380615 UGXUONMMVZDAGY-YUMQZZPRSA-N 307.703 2.786 50 50 DFGA NC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 434983 JJOZNOAWGNZNKY-KEBDBYFISA-N 323.331 2.681 50 50 DFGA CCCc1[nH]nc2c1[C@H](c1c(F)cccc1F)C(C#N)=C(N)O2 67601727 CGOBLAGDAXBHPF-LBPRGKRZSA-N 316.311 2.859 50 50 DFGA COc1cccc(CN(C[C@H]2CCCO2)C(=O)CCl)c1F 1875375979 LAQPKZPSQJHWAC-GFCCVEGCSA-N 315.772 2.581 50 50 DFGA O=C(CCl)Nc1ccc(F)cc1I 86764608 IROSPMSECBCNHJ-UHFFFAOYSA-N 313.497 2.608 50 50 DFGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc2c(c1)OCO2 245227035 XHFPXMRXVKQFDV-UHLDCXNGSA-N 300.358 2.692 50 50 DFGA Cc1ccc(/C=N/NC(=O)CSc2ncccn2)c(C)c1C 233648 LSGZQDMUAJQNCI-DJKKODMXSA-N 314.414 2.644 50 50 DFGA CC(C)c1nnc([C@@H]2CC23CCN(C(=O)[C@H](C)Cl)CC3)o1 1875363544 IMSXDZQWDAWTEY-QWRGUYRKSA-N 311.813 2.916 50 50 DFGA C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(-c2ccccc2)cc1 109857432 RQKBNPZHXBVKOG-LGMDPLHJSA-N 320.348 2.836 50 50 DFGA C[C@H](Cl)C(=O)N1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F 1875380669 VSIHERGDXUJQAS-HOTUBEGUSA-N 321.726 2.967 50 50 DFGA COCc1noc([C@]2(c3ccccc3)C[C@@H]2Br)n1 1775993872 WSWSJKPQAKQFMZ-GWCFXTLKSA-N 309.163 2.669 50 50 DFGA C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccs1 2191976 PRIPFDRODVFFJF-ZDUSSCGKSA-N 302.355 2.559 50 50 DFGA COc1ccc([C@H](C)NC(=O)[C@@H](C)Cl)cc1Cn1cccn1 1875364530 NPNCKGCZNJKEHX-NEPJUHHUSA-N 321.808 2.745 50 50 DFGA COc1cccc([C@H]2C(=O)OC(=O)[C@H]2c2ccccc2)c1OC 100660322 JLYAXHWUYMTISX-LSDHHAIUSA-N 312.321 2.655 50 50 DFGA O=C(O)[C@@H](Br)[C@@H](Br)c1ccccc1 1705958 FXJWTHBNVZNQQP-YUMQZZPRSA-N 307.969 2.971 50 50 DFGA biogenic,in-vitro CCNC(=S)NNC(=O)c1csc(C)c1-c1ccccc1 2760337 SJOSZGRARXPYHS-UHFFFAOYSA-N 319.455 2.852 50 50 DFGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1cccc(F)c1 242035 AGGGFAIWSYFTOH-AWEZNQCLSA-N 316.332 2.861 50 50 DFGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1c1ccccc1 4949223 BJGXVDQDCPYDQS-DYFSNASRSA-N 309.325 2.849 50 50 DFGA O=C1OC(=O)[C@@H]2[C@H]1[C@H]1C[C@H]2[C@H](Cl)[C@@H]1Sc1ccccc1 245255211 GDDMWAGYCZBBJZ-HTXLXMOSSA-N 308.786 2.720 50 50 DFGA CCO[C@@H]1C[C@H]2[C@@H](Cl)[C@H]1NC2(C(F)(F)F)C(F)(F)F 245238503 RSEPZTQGKVOSMQ-WNJXEPBRSA-N 311.653 2.854 50 50 DFGA O=C(Cc1ccccc1)N/N=C/c1cnc(-c2ccccc2)[nH]1 1875260318 SAGMTTIUXKQLSN-DEDYPNTBSA-N 304.353 2.770 50 50 DFGA C[C@H](Cl)C(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1875380320 LNPOQDDECPVIDR-DTWKUNHWSA-N 309.719 2.693 50 50 DFGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(O)cc1 250741 AFJFKULCCVEFSQ-LZYBPNLTSA-N 319.704 2.718 50 50 DFGA CCOP(=O)(OCC)[C@@H](C)NC(=O)N(CCCl)N=O 5859934 YAKWPXVTIGTRJH-QMMMGPOBSA-N 315.694 2.530 50 50 DFGA investigational OCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 60272464 VQNQTIUCMJTZGX-UHFFFAOYSA-N 307.353 2.973 50 50 DFGA C[n+]1cccc([C@@H](O)P(=O)(c2ccccc2)c2ccccc2)c1 287872 DGHXRIBJDZARGQ-IBGZPJMESA-N 324.340 2.516 50 50 DFGA O=C(CCc1c[nH]c2ccccc12)N/N=C/c1ccccc1O 259989 QYCOYDOTIQSTLO-UDWIEESQSA-N 307.353 2.956 50 50 DFGA CSc1ccccc1C(=O)NNC(=O)c1cccc(C)c1 1397827 BDWCNVXWFWLYCY-UHFFFAOYSA-N 300.383 2.792 50 50 DFGA C[C@H](Cl)C(=O)NC[C@H](N(C)Cc1ccccc1)C(F)(F)F 1875380254 JZAWDFOCVXQATD-JQWIXIFHSA-N 322.758 2.793 50 50 DFGA CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1O 259462 ZIDJBPLTSPMEIE-VCHYOVAHSA-N 302.305 2.694 50 50 DFGA Cc1cc(C)c(NC(=O)CCl)c(C)c1NC(=O)CCl 2159877 LHEYNRQLXSOMDF-UHFFFAOYSA-N 303.189 2.966 50 50 DFGA Cc1cc(C)cc(CN(C[C@@H](C)[S@@](C)=O)C(=O)CCl)c1 1875374264 HRBQLVYZFHCTLI-ZUOKHONESA-N 315.866 2.638 50 50 DFGA COc1cccc(/C(C)=N/NC(=O)c2ccc3[nH]cnc3c2)c1 33325849 RYJHBRAQALPYDW-RGVLZGJSSA-N 308.341 2.726 50 50 DFGA C/C=C1/C[N@+]2(C)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1c(O)cccc14 254615395 KXHTZJQVMGTREI-NBOCILFSSA-O 323.416 2.707 50 50 DFGA biogenic Cc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(Cl)c1 3084123 DBGASKXJTACSIH-VCHYOVAHSA-N 315.760 2.737 50 50 DFGA CCOc1ccccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 437897 XSYXMSLUZHQQNK-GZTJUZNOSA-N 313.313 2.757 50 50 DFGA O=C(N/N=C/c1ccc([N+](=O)[O-])s1)[C@@H]1C[C@@H]1c1ccccc1 4473309 ZZFBKPNIYDINKF-SUNVMROUSA-N 315.354 2.910 50 50 DFGA CC(C)(C)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1 1891571 QBWMGXWGIKEVNW-UHFFFAOYSA-N 306.406 2.556 50 50 DFGA COC(=O)N(C)N[C@H](C)Cc1ccc(Br)cc1 328594924 GCZVAMWPJSUBNQ-SECBINFHSA-N 301.184 2.583 50 50 DFGA C[C@H](Cn1nc(C(F)(F)F)cc1C1CC1)NC(=O)CCl 1875389865 AVAMFAVGURNSAR-SSDOTTSWSA-N 309.719 2.523 50 50 DFGA CCOc1cccc(/C=N/NC(=O)c2cc(C)oc2C)c1O 381481 NPQKEVRPFXTBPE-RQZCQDPDSA-N 302.330 2.765 50 50 DFGA Cc1cc(O)cc(O)c1/C=N\NC(=O)c1ccc(Cl)cc1 13940661 XEADFPYXFMARKG-IUXPMGMMSA-N 304.733 2.824 50 50 DFGA CCCc1n[nH]c2c1[C@H](c1ccc(OC)cc1)C(C#N)=C(N)O2 32511746 URAPRSKLNQXRQA-CQSZACIVSA-N 310.357 2.589 50 50 DFGA O=C1OC(=O)c2c(Br)ccc(Br)c21 114715959 OUAOHMOFJGFOSR-UHFFFAOYSA-N 305.909 2.522 50 50 DFGA in-vitro COc1ccc(/C=N/NC(=O)CCn2cnc3ccccc32)cc1 544742 NEXBEGNBBBAVQC-UDWIEESQSA-N 322.368 2.585 50 50 DFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(F)c(F)c1 84196 LMEQHFWLKDNSJC-AWEZNQCLSA-N 320.295 2.610 50 50 DFGA O=C(N/N=C/c1cccc(O)c1)c1cc(-c2ccc(F)cc2)n[nH]1 9110902 XUCIIMFXXKIJGS-VXLYETTFSA-N 324.315 2.685 50 50 DFGA CCSC1=C(C#N)[C@@H](c2ccc([N+](=O)[O-])cc2)CC(=O)N1 1313016 PGBGCKUQOIVVHV-LLVKDONJSA-N 303.343 2.687 50 50 DFGA COc1ccccc1/C=C/C=N/NC(=O)c1cc(C(C)C)n[nH]1 4678047 BXOHDUDHUSSCAX-MJOGEOKXSA-N 312.373 2.971 50 50 DFGA COc1cccc(CN(CC[C@@H]2CCCO2)C(=O)CCl)c1 1875375567 DYFBVSHTEUZWDX-AWEZNQCLSA-N 311.809 2.832 50 50 DFGA CN(C)c1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)cc1 4312493 ZYDLDCUJAUITBK-WOJGMQOQSA-N 313.405 2.537 50 50 DFGA CC(C)(C)OC(=O)N1CCC(I)CC1 2527231 YFWQFKUQVJNPKP-UHFFFAOYSA-N 311.163 2.821 50 50 DFGA NNC(=O)c1ccccc1OCc1cccc(Br)c1 4956181 MURTZQMSNPNIKT-UHFFFAOYSA-N 321.174 2.632 50 50 DFGA O=C(COc1ccccc1)N/N=C/c1ccc(OC(F)F)cc1 370921 SSDYILMPUIKVRY-VXLYETTFSA-N 320.295 2.817 50 50 DFGA CCOC(=O)/C(C#N)=C/c1ccc(OC)c(Br)c1 145540 ZFAWVVVJOUYWDB-UXBLZVDNSA-N 310.147 2.928 50 50 DFGA O=C(N/N=C/c1ccccc1)c1n[nH]c2c1CCc1ccccc1-2 5313659 QSZLAUWFSVVVPC-UDWIEESQSA-N 316.364 2.939 50 50 DFGA COC(=O)N(C)N[C@@H](C)Cc1ccc(Br)cc1 328594925 GCZVAMWPJSUBNQ-VIFPVBQESA-N 301.184 2.583 50 50 DFGA CCn1cc(CN(CCOc2ccccc2)C(=O)CCl)cn1 1875376297 ROQUUWDLPBTZTB-UHFFFAOYSA-N 321.808 2.549 50 50 DFGA Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1cccc(Cl)c1 72399 RPOIIUHMOXLRJY-RQZCQDPDSA-N 304.781 2.763 50 50 DFGA Cc1ccc(NC(=S)NNC(=O)NC2CCCCC2)cc1 556212 DSQGNMIHHGLXRH-UHFFFAOYSA-N 306.435 2.828 50 50 DFGA C[Si](C)(C)O[C@@H]1CCCC[C@@H]1[P@](=O)(O)CCC(=O)O 195810904 CGVPQNVBTZGOCQ-MNOVXSKESA-N 308.387 2.894 50 50 DFGA Cc1cc2c(cc1C)CN(c1ccc(/C=N/NC(N)=O)cc1)C2 48233 SIJDBEJKGAAWMG-AWQFTUOYSA-N 308.385 2.826 50 50 DFGA CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1O 149330 ARCIALMKPIGEIV-MDWZMJQESA-N 312.325 2.607 50 50 DFGA COc1ccc(/C(C)=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)cc1 12343180 LIKOFXDLAGQISR-WOJGMQOQSA-N 314.389 2.870 50 50 DFGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(F)cc1F 62999 FRKAVBOKWQACSY-AWEZNQCLSA-N 302.280 2.780 50 50 DFGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(F)c(F)c1 293412 XNYBUQLOTLNRRD-AWEZNQCLSA-N 302.280 2.780 50 50 DFGA O=C(NNc1nc(O)c2ccccc2n1)c1cc2ccccc2[nH]1 760163855 NJCGBSLQTQZQSI-UHFFFAOYSA-N 319.324 2.574 50 50 DFGA N#Cc1nccnc1Oc1ccc(NC(=O)[C@H](F)Cl)cc1 2325897763 HRXINJFIDZAKAK-NSHDSACASA-N 306.684 2.613 50 50 DFGA Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)[C@@H](C)Cl 1875366560 XHRNAAZKJPOKFU-RNFRBKRXSA-N 311.735 2.867 50 50 DFGA Cc1ccc(C(=O)NNC(=O)C(C)(C)C)cc1Br 2884914 XIHJXVPFWSLODG-UHFFFAOYSA-N 313.195 2.565 50 50 DFGA CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)C(C)(C)CCl 3104937 ZWFKVESIJKSTFO-CYBMUJFWSA-N 311.809 2.542 50 50 DFGA COc1ccccc1/C=N/NC(=O)COc1cccc(Cl)c1 438643 PQBJSSKPQJCPIY-VCHYOVAHSA-N 318.760 2.878 50 50 DFGA CC(C)(C)OC(=O)NC[C@H](O)CO[Si](C)(C)C(C)(C)C 196102287 ZODMDGQSPVUKOB-NSHDSACASA-N 305.491 2.894 50 50 DFGA O=C(N/N=C/c1ccncc1)c1cccc(Br)c1 259488 NIKXDNSSBNQSKE-CXUHLZMHSA-N 304.147 2.608 50 50 DFGA Nc1ccccc1[C@H](Br)[C@H](Br)C(=O)O 2168003 VWWKTRTXXRLZHM-YUMQZZPRSA-N 322.984 2.553 50 50 DFGA C[C@H](Cl)C(=O)NCc1nn(-c2ccccc2)c2c1CCC2 1875363851 BOCFYOSNAPARKW-NSHDSACASA-N 303.793 2.605 50 50 DFGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(Cl)cc1 2566426 UODXTOJXISDBTL-VCHYOVAHSA-N 315.760 2.737 50 50 DFGA C#CCOCCSSCCOCCC(=O)OC(C)(C)C 230493495 HXQOZIFQBVKJGA-UHFFFAOYSA-N 320.476 2.766 50 50 DFGA N#C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(O)cc1 434541 IXGODEXWRNIIAD-XFXZXTDPSA-N 309.281 2.846 50 50 DFGA CCC(=O)c1ccc(NC(=O)CI)cc1 5614573 OLXGFMSYOYHSEC-UHFFFAOYSA-N 317.126 2.653 50 50 DFGA NNC(=O)c1sccc1OCc1cccc(C(F)(F)F)c1 1395887 QCZYAFUFZRQIOK-UHFFFAOYSA-N 316.304 2.949 50 50 DFGA CCOC(=O)c1sc(NC(=O)[C@@H](C)Cl)c(C#N)c1C 35411885 QRXKHKUXVPHXLH-SSDOTTSWSA-N 300.767 2.671 50 50 DFGA C[C@H](Cl)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 1875363796 AJIXKXODKHWDHV-GMXVVIOVSA-N 300.855 2.875 50 50 DFGA O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(O)cc1 59081 UKDGMUYTHJWYCU-RQZCQDPDSA-N 304.733 2.575 50 50 DFGA CCOc1ccc(/C=N/NC(=O)Cn2cnc3ccccc32)cc1 72745 GCEUTEHKCBNWJS-RGVLZGJSSA-N 322.368 2.585 50 50 DFGA CC1=C(C(=O)OC(C)C)[C@@H](c2cccs2)C(C#N)=C(N)O1 77690 YSHBXMWXQRWUHD-CYBMUJFWSA-N 304.371 2.781 50 50 DFGA CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)c1cncnc1 95346853 DXJVUWWLMCSKTA-UHFFFAOYSA-N 310.354 2.658 50 50 DFGA in-vitro Cc1cc(CN(C(=O)CCl)c2cccc(C)c2F)n(C)n1 1875382383 ZIEWDRZBVVRUHA-UHFFFAOYSA-N 309.772 2.948 50 50 DFGA O=C(NNC(=O)c1ccco1)Nc1cccc(C(F)(F)F)c1 610233 PEHQUOJAAMFCKB-UHFFFAOYSA-N 313.235 2.765 50 50 DFGA O=C(NNc1ccc(Cl)nn1)[C@H]1C[C@@H]1c1cc(F)ccc1F 170644274 UQJVBSZJTMDSOL-SCZZXKLOSA-N 324.718 2.655 50 50 DFGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1 468277 MJYVIAGIXQQKFR-KRWDZBQOSA-N 322.320 2.642 50 50 DFGA CCOC(=O)c1ccc(NC(=O)[C@H](Br)CC)cc1 32919714 GKGURBYHLYSDLC-LLVKDONJSA-N 314.179 2.975 50 50 DFGA C[C@@H](Cl)C(=O)N[C@]1(Cc2cccc(Cl)c2)CCOC1 1875378186 WUGYVTWNAMTQBT-YGRLFVJLSA-N 302.201 2.785 50 50 DFGA O=C(N/N=C/c1c[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1 59598 LIZIAUWUIXBYPN-VCHYOVAHSA-N 308.297 2.840 50 50 DFGA Cc1cccc2c1NC(=O)/C2=N\NC(=O)c1ccccc1Cl 7893947 YFGSGHFSBXNKMP-UHFFFAOYSA-N 313.744 2.735 50 50 DFGA Cc1ccc(NC(=S)NNC(=O)c2csc(C)c2)cc1 6573798 SBGJXSOALSWWNQ-UHFFFAOYSA-N 305.428 2.996 50 50 DFGA O=C(N/N=C/C(Cl)=C/c1ccccc1)c1n[nH]c2c1CCC2 4517994 CTJRRWPMFKKTNH-QHSPSIEVSA-N 314.776 2.894 50 50 DFGA Cc1ccc(C)c([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c1 292267 AVVIRUYYAIRXNE-HNNXBMFYSA-N 308.337 2.783 50 50 DFGA COc1ccc(/C(C)=N\NC(=O)c2ccccc2O)c(OC)c1 4947986 MOQSDPBUGLVWAZ-WQRHYEAKSA-N 314.341 2.563 50 50 DFGA CCc1ccc(-c2cc(C(=O)N/N=C/c3cccnc3)[nH]n2)cc1 9302072 WNQXBWWFSFUKSP-UDWIEESQSA-N 319.368 2.798 50 50 DFGA CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(C)oc(=O)c21 242110 XOQTUKPYHRALSV-OAHLLOKOSA-N 324.336 2.565 50 50 DFGA O=C1OC(=O)[C@@H]2[C@H]1[C@H]1C[C@H]2[C@H](Cl)[C@H]1Sc1ccccc1 245255213 GDDMWAGYCZBBJZ-QKFSQAGISA-N 308.786 2.720 50 50 DFGA O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc(Cl)cc1 436771 DJNLBIGLBYXUMQ-UHFFFAOYSA-N 323.179 2.997 50 50 DFGA CCCCNC(=S)NNC(=O)c1csc2ccccc12 8671849 XCCJUOKMJHPDBO-UHFFFAOYSA-N 307.444 2.810 50 50 DFGA C[C@H](Cl)C(=O)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 1875370709 ZXHZGCVVFABGPZ-ZETCQYMHSA-N 320.698 2.657 50 50 DFGA CCOc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1 288713 BCIFJINNGZAECV-OQLLNIDSSA-N 319.342 2.819 50 50 DFGA CCn1ncc(/C=N\NC(=O)c2cc(Cl)ccc2OC)c1C 13111714 QPDFTLPGGXEHDG-IUXPMGMMSA-N 320.780 2.637 50 50 DFGA C[C@@H](Cl)C(=O)NCC[C@@](O)(c1ccccc1)C(F)(F)F 1875364435 QRJHEOUQRQTKII-BXKDBHETSA-N 309.715 2.570 50 50 DFGA FC(F)(F)C1(C(F)(F)F)[C@H]2C[C@H]3[C@@H]([C@@H]2Br)[N@@]31 1857524890 XKUBBXCEJQOOTG-RIDFIHTQSA-N 310.035 2.700 50 50 DFGA N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@@H]1c1cccnc1 13118282 AHECCLJHDMPPDZ-GFCCVEGCSA-N 321.365 2.751 50 50 DFGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1OC 196792 LSEROQGCBKTCNC-KRWDZBQOSA-N 323.352 2.504 50 50 DFGA O=C(N/N=C/c1ccccc1O)c1cccc(Br)c1 260131 QEXIQGCBAFBJNW-CXUHLZMHSA-N 319.158 2.919 50 50 DFGA C/C(=N\NC(=O)c1cccc(Br)c1)c1cccnc1 5010209 OLZAPINSDXTFLN-LICLKQGHSA-N 318.174 2.998 50 50 DFGA CCOc1cc(/C=N/NC(=O)c2ccccc2F)ccc1O 259557 QCPRCONFJHYXGD-VCHYOVAHSA-N 302.305 2.694 50 50 DFGA CC1(C)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](c2ccccc2)O1 101357725 PTLGVCWSCPCPDZ-MNOVXSKESA-N 318.200 2.799 50 50 DFGA CC1=C(C#N)[C@](NC(=O)c2ccc(C)cc2)(C(F)(F)F)C(O)=N1 4937384 WFGOSKHUYKHKGS-CQSZACIVSA-N 323.274 2.794 50 50 DFGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]1c1ccccc1 4949233 BJGXVDQDCPYDQS-JDPRVQSZSA-N 309.325 2.849 50 50 DFGA C/C(=N\NC(=O)NC1CCCC1)c1ccc(-n2ccnc2)cc1 222048467 XBLBAERKYVYYMK-DEDYPNTBSA-N 311.389 2.838 50 50 DFGA COC(OC)[C@@H](C)N(Cc1cc(C)ccc1F)C(=O)CCl 1875382448 BLYJRYSJLWXSSZ-LLVKDONJSA-N 317.788 2.709 50 50 DFGA C[C@H](Cl)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 1875366529 SLQZYYHDZFESOH-PUSIOWJLSA-N 312.763 2.535 50 50 DFGA Cc1cccc(C)c1CN(C(=O)CCl)[C@H](C)Cn1cncn1 1875382545 FWOOVRYFJYSPSP-CQSZACIVSA-N 320.824 2.551 50 50 DFGA C[C@H](Cl)C(=O)N(C[C@H]1C[C@H]2C=C[C@H]1C2)C1CCN(C)CC1 1875380595 SYUUJAGREAVKSJ-ZQDZILKHSA-N 310.869 2.749 50 50 DFGA O=C(NNC(=O)[C@H]1CC=CCC1)c1ccccc1Br 273475 KFSMCHYHNWIZPJ-JTQLQIEISA-N 323.190 2.566 50 50 DFGA FC1(F)OC(F)(F)[C@@H](Br)[C@@H]1Br 97956658 RQODRKYKKNAJAA-LWMBPPNESA-N 301.859 2.729 50 50 DFGA COc1ccc(/C=N/NC(=O)c2ccc(O)cc2)c(Cl)c1 1775988647 UKRVHQRNRJOKRW-RQZCQDPDSA-N 304.733 2.818 50 50 DFGA O=C(N/N=C/c1ccccc1O)c1cc(-c2ccccc2)n[nH]1 344331 BDZRXAQWEHDNHX-WOJGMQOQSA-N 306.325 2.546 50 50 DFGA Cc1cc(C)cc(O[C@H](C)C(=O)NN=Cc2ccccc2O)c1 238937207 UFNSUMBZJMFPRG-CQSZACIVSA-N 312.369 2.927 50 50 DFGA CSc1ccc(NC(=O)NNC(=O)c2ccccc2O)cc1 2143564 PJJHAQLNUYOUEK-UHFFFAOYSA-N 317.370 2.581 50 50 DFGA CC(C)(C)OC(=O)N/N=C(\N)c1cccc(C(F)(F)F)c1 43769280 DNTFVIXVRSCBAS-UHFFFAOYSA-N 303.284 2.850 50 50 DFGA CC(C)(C)OC(=O)NC[C@@H](O)CO[Si](C)(C)C(C)(C)C 196102297 ZODMDGQSPVUKOB-LLVKDONJSA-N 305.491 2.894 50 50 DFGA CSc1ccc(/C=N/NC(=O)Cn2cnc3ccccc32)cc1 228816 RTGBHIZZKXQIJH-VXLYETTFSA-N 324.409 2.909 50 50 DFGA COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1OC 15219837 NBOOMGHBBOQKCS-LCYFTJDESA-N 324.336 2.955 50 50 DFGA COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)c1OC 242178 YGFLAGSTDGKPQS-MRXNPFEDSA-N 323.352 2.504 50 50 DFGA O=C(OCc1ccccc1)[C@H](Br)CBr 2580809 DEBQVGQAJKITBG-SECBINFHSA-N 321.996 2.888 50 50 DFGA COC(=O)c1c(NC(=O)CCl)sc2c1CCCCC2 3885295 QHLZGKBAMUAJHD-UHFFFAOYSA-N 301.795 2.981 50 50 DFGA CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1 4993054 YUPNUPLNXFYXAO-MRXNPFEDSA-N 323.400 2.783 50 50 DFGA C[C@@H](Cl)C(=O)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 1875370708 ZXHZGCVVFABGPZ-SSDOTTSWSA-N 320.698 2.657 50 50 DFGA C[C@@H](CCc1ccccc1)NS(=O)(=O)C1(CCl)CC1 1775989117 DQRQKIYBSMAINO-LBPRGKRZSA-N 301.839 2.699 50 50 DFGA N#C/C(=C\c1cnc2ccccc2n1)S(=O)(=O)c1ccccc1 610528 TZJCUHZQBCRYRM-XNTDXEJSSA-N 321.361 2.968 50 50 DFGA CC[C@H](Br)C(=O)Nc1ccc(OC)cc1OC 32920003 CXRQMNNMAFQPMF-VIFPVBQESA-N 302.168 2.816 50 50 DFGA in-vitro N#C/C(=C/c1ccc(OCC(=O)O)cc1)C(=O)Nc1ccccc1 13809940 YEDRSCKYZHHGMG-UVTDQMKNSA-N 322.320 2.696 50 50 DFGA CO/N=C/Nc1nnc(/C(C#N)=C/c2ccc(OC)cc2)s1 4091149 MWSMLPXQBPDDHY-YRNVUSSQSA-N 315.358 2.612 50 50 DFGA Oc1cc(CBr)ccc1I 238682796 YLOUSBNALCLIJQ-UHFFFAOYSA-N 312.932 2.892 50 50 DFGA N#CC1=C(N)Oc2[nH]c(-c3ccccc3)nc2[C@@H]1c1cccnc1 5066833 JGMLGMGREXIXFV-CQSZACIVSA-N 315.336 2.690 50 50 DFGA O=C(N/N=C1/CCc2c1ccc(O)c2O)c1cccc(Cl)c1 1875264391 RAGRYOBHHCHUIL-AQTBWJFISA-N 316.744 2.832 50 50 DFGA O=C(N/N=C/c1cccs1)c1ccc(N2CCCC2=O)cc1 293372 JJODCKGTQSILSF-GZTJUZNOSA-N 313.382 2.639 50 50 DFGA CCOc1ccccc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1 498060 QOTBYUYSXDBFEZ-GZTJUZNOSA-N 313.313 2.757 50 50 DFGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1Cl 4947841 OIOTUDBZEZQKFI-LZYBPNLTSA-N 319.704 2.718 50 50 DFGA CC1=C(C#N)[C@@H](/C=N/OCc2ccc(Cl)cc2)CC(=O)N1 5305807 SOGBADBYQLNDFU-VGTRTNLYSA-N 303.749 2.776 50 50 DFGA O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccccn1 27808 VCTZGXSKJCCTPE-QGMBQPNBSA-N 324.167 2.918 50 50 DFGA CCOc1ccc(/C=N/NC(=O)COc2cccc(C)c2)cc1 59517 LDXNCJFMIRQVIB-XDHOZWIPSA-N 312.369 2.923 50 50 DFGA Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)NC[C@H]1CCCO1 247398 PRRRJWKIQQGFCY-KADHNRKRSA-N 309.369 2.679 50 50 DFGA CCSC1=C(C#N)[C@H](c2ccc([N+](=O)[O-])cc2)CC(=O)N1 6265695 PGBGCKUQOIVVHV-NSHDSACASA-N 303.343 2.687 50 50 DFGA Cc1ccccc1NC(=S)NNC(=O)CCc1ccccc1 6401829 IZSXFBUWDZKMOG-UHFFFAOYSA-N 313.426 2.945 50 50 DFGA O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1n[nH]c2c1CCC2 4518167 RJTGATVEWPKIKE-REZTVBANSA-N 323.183 2.969 50 50 DFGA C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccccc1F 2500879 AQXBOFITIDKLBX-OAHLLOKOSA-N 314.316 2.637 50 50 DFGA Cc1ccc(C(=O)N/N=C/C=C/c2ccc([N+](=O)[O-])cc2)cn1 2318147 OBNUPRDJCWXEME-MKBOCBPUSA-N 310.313 2.727 50 50 DFGA O=C(CCC(=O)Nc1ccc(F)cc1)N/N=C/c1cccs1 2871075 NRPDDCRKRZGCKD-LICLKQGHSA-N 319.361 2.756 50 50 DFGA O=C(NNC(=S)Nc1cccc(Cl)c1)c1ccccc1 15933845 VMLODGKEQRFVLR-UHFFFAOYSA-N 305.790 2.971 50 50 DFGA CC(C)(C)[Si](OCCCO)(c1ccccc1)c1ccccc1 196018750 NZAGJZSHKTYYMN-UHFFFAOYSA-N 314.501 2.945 50 50 DFGA in-vitro CC[C@@H]1CN2CC[C@@]34C(=C(C=O)[C@H]1C[C@H]23)N(C)c1ccccc14 1848443555 AYYGQHJUBAEPOC-IUHVXIRESA-N 308.425 2.961 50 50 DFGA O=C(NNc1ncccc1Cl)c1cc2c(s1)CCOC2 114883689 IRNRTZWXIUFMAS-UHFFFAOYSA-N 309.778 2.626 50 50 DFGA O=C(CCBr)NC(=O)Oc1ccc(Cl)cc1 2963989 AHAIPTHIQSYMCL-UHFFFAOYSA-N 306.543 2.740 50 50 DFGA COc1cc(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)ccc1O 222254473 QXRPAXQHBHNUDQ-SFPAAWJPSA-N 302.374 2.677 50 50 DFGA O=P(C[C@H](O)C(F)(F)F)(c1ccccc1)c1ccccc1 1496621 UEJWIVQKWSTJFS-AWEZNQCLSA-N 314.243 2.924 50 50 DFGA COc1ccc(Cn2nc(C)cc2NC(=O)[C@@H](C)Cl)cc1 1875364120 ITWFEAMUPQISOE-LLVKDONJSA-N 307.781 2.814 50 50 DFGA COc1ccccc1OCC(=O)N/N=C/c1ccc(Cl)cc1 437887 GLRUOPWOFUSKSC-VCHYOVAHSA-N 318.760 2.878 50 50 DFGA C[C@H](Cl)C(=O)NCC[C@](O)(c1ccccc1)C(F)(F)F 1875364436 QRJHEOUQRQTKII-CABZTGNLSA-N 309.715 2.570 50 50 DFGA C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1C(=O)[C@@H](C)Cl 1875367999 HVNIJBVSHRBPLT-QLFBSQMISA-N 308.853 2.983 50 50 DFGA COc1ccc(NNC(=O)[C@@H]2CCCOC2)c(C(F)(F)F)c1 408518213 WYFCZAJTWOBGPT-SECBINFHSA-N 318.295 2.584 50 50 DFGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1cccs1 240735 RYKUPPXFMVKKPQ-GFCCVEGCSA-N 304.371 2.783 50 50 DFGA CC1(C)[C@@H](Cl)C(=O)C(C(=O)c2ccccc2)C(=O)[C@@H]1Cl 100319450 NZERTSNECSBYNG-KBPBESRZSA-N 313.180 2.878 50 50 DFGA Cc1scc(C(=O)NNC(=S)NC2CCCCC2)c1C 2760565 GGBYRDGRNJILGE-UHFFFAOYSA-N 311.476 2.807 50 50 DFGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(O)cc(O)c1 288629 GJNVHMCXYKALNN-GIJQJNRQSA-N 309.325 2.651 50 50 DFGA COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1O 256890 YUUKOUCLLKRZLM-RQZCQDPDSA-N 304.733 2.818 50 50 DFGA CCc1cccc(CN(C[C@@H]2CC[C@H](O)C2)C(=O)CCl)c1 1875382461 CBAVAZBJRFGJSW-CVEARBPZSA-N 309.837 2.977 50 50 DFGA O=C(N/N=C/c1ccc(F)cc1)C(=O)Nc1ccccc1Cl 2566320 XZUANSQKUCQDIO-GIJQJNRQSA-N 319.723 2.568 50 50 DFGA CC(=O)Nc1cc(C)nn1-c1ccc(NC(=O)[C@H](C)Cl)cc1 1875364839 VLSMGXXFAZJDDC-JTQLQIEISA-N 320.780 2.705 50 50 DFGA COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c1OC 284803 UEQCCVNCIGCLIK-INIZCTEOSA-N 324.336 2.628 50 50 DFGA COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)[C@@H](C)Cl)cc1 1875380159 GOSSLVDBZTWKOP-WPGHFRTFSA-N 311.809 2.521 50 50 DFGA CC1=C(C(=O)OC(C)(C)C)[C@@H](c2cccnc2)C(C#N)=C(N)O1 77649 VRKJKXUCJPAOAB-AWEZNQCLSA-N 313.357 2.505 50 50 DFGA Cc1ccsc1C(=O)NNC(=S)N[C@H](C)c1ccccc1 2727234 WQQGAKAUIWWMQI-LLVKDONJSA-N 319.455 2.927 50 50 DFGA C[C@@H]1CCC[C@H](OCC(=O)NNc2cnc3ccccc3n2)C1 163554614 LGDLWIBJAAQRPQ-OLZOCXBDSA-N 314.389 2.668 50 50 DFGA Cc1cc2c(c(=O)o1)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 59262 WAEHAKFKBYBLNN-ZDUSSCGKSA-N 314.728 2.820 50 50 DFGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1ccc(O)cc1O 283294 RSFSKEJTKDEEEP-GIJQJNRQSA-N 309.325 2.651 50 50 DFGA Cc1ncsc1/C=C(\C#N)C(=O)Nc1ccccc1C(=O)O 490663778 LUQAQHOIWHJHQO-UXBLZVDNSA-N 313.338 2.695 50 50 DFGA C[C@H](Cl)C(=O)N1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F 1875380671 VSIHERGDXUJQAS-YGOYTEALSA-N 321.726 2.967 50 50 DFGA O=C(CCl)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 1319923715 ZBNOMHROYUVRPN-GFCCVEGCSA-N 319.207 2.971 50 50 DFGA C/C(=N\NC(=O)c1cccc(Br)c1)c1ccccn1 5010119 GZJPBATWGXWPLE-LICLKQGHSA-N 318.174 2.998 50 50 DFGA C[C@H](Cn1cnc2ccccc21)C(=O)N/N=C/c1cccs1 5570384 LHWSKCNYUCIFIF-KBSHCFNASA-N 312.398 2.884 50 50 DFGA COc1ccc(/C=N/NC(=O)CN2CCCCCCC2)cc1C 4990401 IBLLSXASHXTSPE-CPNJWEJPSA-N 317.433 2.720 50 50 DFGA Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)[C@H](C)Cl 1875366559 XHRNAAZKJPOKFU-NKWVEPMBSA-N 311.735 2.867 50 50 DFGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2)cc1 2566433 IQRVGHWLSKKNFF-VCHYOVAHSA-N 315.760 2.737 50 50 DFGA Nc1ccccc1[C@@H](Br)[C@@H](Br)C(=O)O 2168008 VWWKTRTXXRLZHM-HTQZYQBOSA-N 322.984 2.553 50 50 DFGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc2ccccc2n1 244841 FYEJASDDYHPQOJ-WOJGMQOQSA-N 320.308 2.907 50 50 DFGA C[C@H](Cl)C(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1 1875364568 OCHUFYDYTSSYHP-GXFFZTMASA-N 312.200 2.869 50 50 DFGA CCCc1n[nH]c2c1[C@@H](c1ccc(C)s1)C(C#N)=C(N)O2 9271154 FDIVQFHYVIYOHC-GFCCVEGCSA-N 300.387 2.950 50 50 DFGA C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(F)cc1 2500872 SMMXGOOMDDOINT-OAHLLOKOSA-N 314.316 2.637 50 50 DFGA Cc1ccsc1C=NNC(=O)c1ccc2c(c1)OCCO2 252679937 TXKZEVWJSFXKFZ-UHFFFAOYSA-N 302.355 2.592 50 50 DFGA CC(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4210015 SSTCWCXMEKHZPP-CBLICJDJSA-N 308.337 2.775 50 50 DFGA C[C@H](Sc1ncccn1)C(=O)N/N=C/c1ccccc1Cl 233759 KOZABVFPGWEQSM-NTOSSWPYSA-N 320.805 2.761 50 50 DFGA CC[C@@H](Br)C(=O)Nc1cc(OC)ccc1OC 266491 XUOODXCLIQSWQY-SECBINFHSA-N 302.168 2.816 50 50 DFGA O=C(CCCCC(=O)NN=C1CCCC1)NN=C1CCCC1 5289868 SPPALCNODCXHLZ-UHFFFAOYSA-N 306.410 2.639 50 50 DFGA Cc1ccccc1NC(=O)CCC(=O)N/N=C/c1cccs1 1960319 JHRPQEKOUKYBNU-GZTJUZNOSA-N 315.398 2.926 50 50 DFGA Cc1cc(CN(C(=O)CCl)c2cn(C)nn2)ccc1Cl 1875381762 HFMZLMBBAYBULQ-UHFFFAOYSA-N 313.188 2.549 50 50 DFGA COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)[C@H](C)Cl)cc1 1875380158 GOSSLVDBZTWKOP-PJODQICGSA-N 311.809 2.521 50 50 DFGA O=C(N/N=C/c1c[nH]c2ccccc12)c1n[nH]c2c1CCCC2 54128 FJLWUMXWWMQNHB-VXLYETTFSA-N 307.357 2.534 50 50 DFGA O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)[C@@H]1C[C@@H]1c1ccccc1 4017630 JVCOZZAJCSGVSZ-BRSBDYLESA-N 320.392 2.741 50 50 DFGA Cc1ccc(O[C@H]2C(=O)OC(=O)[C@@H]2Oc2ccc(C)cc2)cc1 101010295 SAOJMKVUBZJOHH-HZPDHXFCSA-N 312.321 2.582 50 50 DFGA O=C(N/N=C/c1cccs1)c1cc(-c2cccs2)n[nH]1 9270602 MPVOGUXBSGOUPV-RIYZIHGNSA-N 302.384 2.964 50 50 DFGA COc1cc(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)ccc1O 32609504 QXRPAXQHBHNUDQ-YDDYTMOLSA-N 302.374 2.677 50 50 DFGA O=C(Cl)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 11974795 SXIUZIQEYOOHEP-AWEZNQCLSA-N 313.740 2.659 50 50 DFGA NC(=O)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 4209950 ZEHFGFBVWGUYDR-GIJQJNRQSA-N 317.732 2.561 50 50 DFGA O=C(CSc1ncccn1)N/N=C/c1cccc2ccccc12 233690 XPJPOBBQWQVWEA-RGVLZGJSSA-N 322.393 2.872 50 50 DFGA N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cccc([N+](=O)[O-])c1 12428888 UEOKKNWUTCMBLK-OAHLLOKOSA-N 309.281 2.519 50 50 DFGA biogenic,in-vitro CC[C@H](Br)C(=O)Nc1cc(OC)ccc1OC 266488 XUOODXCLIQSWQY-VIFPVBQESA-N 302.168 2.816 50 50 DFGA C/C(CC(=O)Nc1ccccc1)=N\NC(=O)c1ccccc1O 102310230 ABSLVRMPUKULQL-XDHOZWIPSA-N 311.341 2.527 50 50 DFGA CCOC(=O)/C(C#N)=C/c1ccc(N(C)C)c(Br)c1 242870 DIIXLCGWOWLBKF-YRNVUSSQSA-N 323.190 2.985 50 50 DFGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(F)cc1F 63000 FRKAVBOKWQACSY-CQSZACIVSA-N 302.280 2.780 50 50 DFGA C[C@@H](Cl)C(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 1875364574 OCHUFYDYTSSYHP-MFKMUULPSA-N 312.200 2.869 50 50 DFGA Cc1cc(C)cc(O[C@@H](C)C(=O)NN=Cc2ccccc2O)c1 238937206 UFNSUMBZJMFPRG-AWEZNQCLSA-N 312.369 2.927 50 50 DFGA N#C/C(=C\c1cccc(OCC(N)=O)c1)c1ccc([N+](=O)[O-])cc1 610028 YPVZMXFXNAIWLY-RIYZIHGNSA-N 323.308 2.523 50 50 DFGA O=C1Oc2ccc([N+](=O)[O-])cc2N/C1=C\C(=O)c1ccccc1 100436006 VTTMXDIGWSXTTR-LCYFTJDESA-N 310.265 2.693 50 50 DFGA CC1=C(C#N)[C@](NC(=O)C2CCCCC2)(C(F)(F)F)C(O)=N1 4653803 DZGVEAFTMVOTLF-CYBMUJFWSA-N 315.295 2.752 50 50 DFGA C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc2ncc(CCCl)cn2n1 1012111 KGRFGARPBAOETG-VXGBXAGGSA-N 320.824 2.914 50 50 DFGA C[C@H](Cl)C(=O)N1CCN(Cc2ccc3ccccc3n2)CC1 1875376145 NHVPEPOYIQVBAQ-ZDUSSCGKSA-N 317.820 2.506 50 50 DFGA CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 4261171 HFDDWCBHSMGHQI-VCHYOVAHSA-N 300.289 2.515 50 50 DFGA Cc1ccc(CN2CC[C@H](CN(C)C(=O)CCl)C2)s1 1327499978 TZXGZRRTGBFUSR-GFCCVEGCSA-N 300.855 2.576 50 50 DFGA COc1ccccc1NCC(=O)N/N=C/c1ccc(Cl)cc1 60547 KFDKTTWQWAHQEO-VXLYETTFSA-N 317.776 2.911 50 50 DFGA O=[N+]([O-])c1cc(S(=O)(=O)C(Cl)Cl)ccc1Cl 1233348 ALZIDDBBTJEMPS-UHFFFAOYSA-N 304.538 2.783 50 50 DFGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 245227006 VWLWWWJEAAZRFM-ZGQHFSNZSA-N 301.346 2.871 50 50 DFGA C[C@@H](Cl)C(=O)N[C@@]1(Cc2cccc(Cl)c2)CCOC1 1875378185 WUGYVTWNAMTQBT-QMTHXVAHSA-N 302.201 2.785 50 50 DFGA CCO/C=C(\C#N)C(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 584908283 VTPBQZXZNPIYFV-XADBSNKSSA-N 306.406 2.817 50 50 DFGA O=C(N/N=C/c1ccc(-c2ccccc2)cc1)c1cnccn1 554581 VSRJFBVAIWDCEV-CIAFOILYSA-N 302.337 2.908 50 50 DFGA Cc1cc(C)nc(NS(=O)(=O)c2ccc(N=C=S)cc2)n1 2532476 KKYSJALPLLHOMK-UHFFFAOYSA-N 320.399 2.629 50 50 DFGA C[C@@H]1CCc2c(C(=O)N/N=C/c3cccn3C)csc2C1 2735730 SGAPDHYAZLUWDR-LBFZPMSMSA-N 301.415 2.975 50 50 DFGA O=C(OC(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 59696362 MEFKFJOEVLUFAY-UHFFFAOYSA-N 308.759 2.797 50 50 DFGA C[C@H](Br)C(=O)NCc1ccc(Br)cc1 235437040 WIEIVWSUAKRJFA-ZETCQYMHSA-N 321.012 2.849 50 50 DFGA O=C(O)CCSSCCNC(=O)[C@@]12CCCC[C@@H]1C2 1875388534 FSOHZPGDODDFGF-ZWNOBZJWSA-N 303.449 2.539 50 50 DFGA C[C@]12[C@H]3[C@@H]4C[C@H]5[C@H]3[C@H](C3OCCO3)[C@H]1[C@@H]5[C@H]4[C@H]2Br 257346594 VJSDVKZQZQTYPX-UDINQAARSA-N 311.219 2.517 50 50 DFGA O=C(N/N=C/c1c[nH]nc1-c1ccc(F)cc1)c1ccc(O)cc1 1430543 IREDDFNHJHPYHQ-KEBDBYFISA-N 324.315 2.685 50 50 DFGA O=C(N/N=C/c1ccc(Br)cc1)c1ccc(O)cc1 61954 NTCZEIJENYPNKE-CXUHLZMHSA-N 319.158 2.919 50 50 DFGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccccc1OCC#N 245227061 XSAPIRZWPQVADU-CCAZCDEXSA-N 311.385 2.865 50 50 DFGA CC(=O)Nc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1 230068 JSVKAFXQKQRSNS-KRWDZBQOSA-N 321.336 2.569 50 50 DFGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccncc3)[nH]n2)cc1 9008518 BKLYYRVWOHGXNT-YBFXNURJSA-N 305.341 2.544 50 50 DFGA CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2F)C(C#N)=C(N)O1 77707 UWKNUGVJDFDJHW-OAHLLOKOSA-N 316.332 2.859 50 50 DFGA Cc1ccc(C)n1/C(C#N)=C(\C#N)NC(=O)c1ccc(F)cc1 4088988 UFCDKOGFRPKOLO-FOCLMDBBSA-N 308.316 2.890 50 50 DFGA FC(F)(F)C1(C(F)(F)F)[C@H]2C[C@H]3[C@@H]([C@H]2Br)N31 252430994 XKUBBXCEJQOOTG-YADXBNBASA-N 310.035 2.700 50 50 DFGA COc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1Cl 437349 LCEBHRQXCWLNKE-ZNBBLSJYSA-N 318.760 2.532 50 50 DFGA O=C(NNC1CCN(Cc2ccccc2)CC1)c1ccccc1 1707939 QEUTZPRLLBCXNK-UHFFFAOYSA-N 309.413 2.586 50 50 DFGA C/C(=N\NC(=O)c1cc(-c2ccc(C)o2)n[nH]1)c1ccc(N)cc1 12338751 LTASKQLAUGSUIH-YBFXNURJSA-N 323.356 2.714 50 50 DFGA CC/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1 4976156 UPTQRXVIUCKBBP-WFVLPUPGSA-N 310.353 2.757 50 50 DFGA N#CC1=C(S)NC(=O)C[C@H]1c1ccc(Br)cc1 8973526 KYWLZNYZGJAYSW-VIFPVBQESA-N 309.188 2.718 50 50 DFGA CCOc1ccccc1/C=N/NC(=O)CCc1c(C)n[nH]c1C 536170 CNBUPHITVHZFCD-WOJGMQOQSA-N 314.389 2.508 50 50 DFGA C/C=C1/CN2CC[C@@]34C(=C(C=O)[C@H]1C[C@@H]23)Nc1c(O)cccc14 245310418 JDOFCMASVRMYJU-JJWQXUOHSA-N 308.381 2.563 50 50 DFGA biogenic CC[C@H](C)NC(=S)NNC(=O)c1ccc(C(C)(C)C)cc1 8682460 RUJKTSSBRVCSAY-NSHDSACASA-N 307.463 2.892 50 50 DFGA CC1(C)O[C@H]2O[C@H](CCO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O1 169835016 CLBRXTGYUZGJAJ-YVECIDJPSA-N 318.486 2.636 50 50 DFGA CCOc1ccccc1-c1cc(C(=O)NN)c2ccccc2n1 2784159 WHNKEYBKOITBFX-UHFFFAOYSA-N 307.353 2.904 50 50 DFGA O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1[C@H]2CCCC[C@H]21 252693392 DHBMXVUKGKAHII-XWHDXRAESA-N 316.445 2.786 50 50 DFGA CCOc1ccccc1/C=N/NC(=O)COc1cccc(C)c1 584709 HMZBDGAGCJBQMK-XDHOZWIPSA-N 312.369 2.923 50 50 DFGA C/C(=N\NC(=O)CCn1cnc2ccccc21)c1ccccc1 19833735 BFIGAKMIXJPENE-XSFVSMFZSA-N 306.369 2.967 50 50 DFGA O=C(CCl)N(Cc1ccccc1)Cc1cc2n(n1)CCCC2 1875381928 LIXLAZKFSPMJRJ-UHFFFAOYSA-N 317.820 2.987 50 50 DFGA Cc1cc2c(c(=O)o1)[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 62982 LAGKVMPFAHFVAM-CYBMUJFWSA-N 314.728 2.820 50 50 DFGA O=C(O)[C@@H](Br)[C@H](Br)c1ccccc1 1705959 FXJWTHBNVZNQQP-SFYZADRCSA-N 307.969 2.971 50 50 DFGA biogenic,in-vitro COc1ccc(NNC(=O)[C@H]2CCCOC2)c(C(F)(F)F)c1 408518214 WYFCZAJTWOBGPT-VIFPVBQESA-N 318.295 2.584 50 50 DFGA O=C(N/N=C/c1ccc(Br)cc1)c1ccccc1O 59546 NYFGZXMXYMPJAE-CXUHLZMHSA-N 319.158 2.919 50 50 DFGA O=C(NNc1ccc(OC(F)F)cc1)c1cccnc1S 122763306 NFRANSLXJCZEJR-UHFFFAOYSA-N 311.313 2.729 50 50 DFGA O=C(COc1ccc2ccccc2c1)NNC(=O)C1CCCC1 371644 FNQSVYAHKVUTJW-UHFFFAOYSA-N 312.369 2.556 50 50 DFGA C/C=C1\C[N@@+]2(C)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1c(O)cccc14 252441226 KXHTZJQVMGTREI-WMVHFTISSA-O 323.416 2.707 50 50 DFGA biogenic Cc1cc(C)c(NC(=O)[C@@]2(C)C[C@H]2Br)cc1CO 864058713 UUJACMHAHXXZHG-OCCSQVGLSA-N 312.207 2.908 50 50 DFGA CC(=O)Oc1ccc(/C(C)=N/NC(=O)c2cc(C)oc2C)cc1 13662059 CZWPXWPKXUQROI-WOJGMQOQSA-N 314.341 2.976 50 50 DFGA Cc1ccc(NC(=O)C(=O)N/N=C/C=C/c2ccccc2)cc1 2553752 MDKSAFSQHAJYIC-ULKOKDFMSA-N 307.353 2.749 50 50 DFGA O=C(CCc1ccccc1)NNC(=O)[C@H]1C[C@@H]1c1ccccc1 285782 APLGZUFFCUOBKV-SJORKVTESA-N 308.381 2.570 50 50 DFGA C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccs1 2191975 PRIPFDRODVFFJF-CYBMUJFWSA-N 302.355 2.559 50 50 DFGA O=C(NNc1ncc(C(F)(F)F)cc1Cl)C(F)(F)F 5425874 RPTIESMWXNYKQK-UHFFFAOYSA-N 307.581 2.759 50 50 DFGA C[C@H](Oc1ccccc1)C(=O)N/N=C1\CCOc2ccccc21 6485463 TYXINDVLMGYACC-NIGUIEARSA-N 310.353 2.757 50 50 DFGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccoc1 62509 PLQVJRYIQCTCKW-ZDUSSCGKSA-N 306.277 2.604 50 50 DFGA COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1Cl 469677 OQXBFSKLWDUCNM-ZDUSSCGKSA-N 316.748 2.598 50 50 DFGA O=C(CCl)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1320465915 RDRKUGXIRHYABP-JTQLQIEISA-N 318.751 2.612 50 50 DFGA O=C(NNC(=O)C1[C@H]2CCCC[C@H]12)Nc1ccc(Cl)cc1 142959 IQWDRLAUZYRKPL-RYUDHWBXSA-N 307.781 2.929 50 50 DFGA CC(=O)Nc1ccc(/C=C(\C#N)S(=O)(=O)C(C)(C)C)cc1 2571077 AJFSBLSAYZPPRK-NTEUORMPSA-N 306.387 2.723 50 50 DFGA CC(C)[C@@H]1C(=O)Nc2ccc(Cl)cc2N1C(=O)CCl 1875377161 AKARTDPQIHAOFV-GFCCVEGCSA-N 301.173 2.889 50 50 DFGA CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1 242402 BCJPONIDVFMQMH-KRWDZBQOSA-N 307.353 2.886 50 50 DFGA COc1ccc(NNC(=O)C2(c3ccc(Cl)cc3)CC2)nc1 159360197 YHKQGOLEYMNALW-UHFFFAOYSA-N 317.776 2.919 50 50 DFGA CCCC1=C(C(=O)OCC)[C@@H](c2ccoc2)C(C#N)=C(N)O1 4020008 RFXRDKAJPPEKEQ-ZDUSSCGKSA-N 302.330 2.705 50 50 DFGA C/C=C1\C[N@+]2(C)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1c(O)cccc14 252441227 KXHTZJQVMGTREI-YLXZHSRBSA-O 323.416 2.707 50 50 DFGA biogenic CC(=O)Oc1ccc(/C(C)=N/NC(=O)Cc2cccs2)cc1 5620925 FEKYNAMLCZVBSU-GZTJUZNOSA-N 316.382 2.756 50 50 DFGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]1c1ccccc1 301224 BJGXVDQDCPYDQS-MAIUNSNDSA-N 309.325 2.849 50 50 DFGA N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 16677427 FLKGXHKJLGBFQE-WQLSENKSSA-N 309.281 2.846 50 50 DFGA COc1ccc(/C=N/NC(=O)/C=C/c2ccccc2)c(OC)c1 1741024 NGMVLAGBNCVHMY-UQNIYPKTSA-N 310.353 2.867 50 50 DFGA COc1ccc(NCCCC(=O)N/N=C/c2ccco2)cc1 2996073 DYBITMWKTXFAIA-LDADJPATSA-N 301.346 2.631 50 50 DFGA CC[C@@H](Br)C(=O)Nc1cc(OC)cc(OC)c1 32919947 DZRDLYBJLSXFMK-LLVKDONJSA-N 302.168 2.816 50 50 DFGA C/C(=N\NC(=O)c1n[nH]c2c1CCC2)c1ccc(Cl)cc1 5296536 CEWNXYROOGEBCT-RQZCQDPDSA-N 302.765 2.706 50 50 DFGA CC(C)(C)OC(=O)N1CCC[C@@H]([C@H](Br)C=O)C1 1857781409 PKGDNLMCPGZXCB-NXEZZACHSA-N 306.200 2.596 50 50 DFGA N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(N)=O 432073 OMTYRBIHYKFMIY-VMPITWQZSA-N 317.688 2.900 50 50 DFGA Cc1cccc(NC(=O)C(=O)N/N=C/c2c[nH]c3ccccc23)c1 4230118 IAQAOXULNAKJOI-RGVLZGJSSA-N 320.352 2.565 50 50 DFGA O=C(NNc1ccc(Cl)nn1)[C@H]1C[C@H]1c1cc(F)ccc1F 170644273 UQJVBSZJTMDSOL-WPRPVWTQSA-N 324.718 2.655 50 50 DFGA C[C@@H](Cl)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 1875366528 SLQZYYHDZFESOH-MFAVDMRSSA-N 312.763 2.535 50 50 DFGA COc1ccc(OC)c(-c2cc(C(=O)NN)c3ccccc3n2)c1 2564290 KQVDADSXXMAKRV-UHFFFAOYSA-N 323.352 2.523 50 50 DFGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1O 250912 OREYFHADXKOBRY-LZYBPNLTSA-N 319.704 2.718 50 50 DFGA CCO/C=C(\C#N)C(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1 584908282 VTPBQZXZNPIYFV-DGLSUBJASA-N 306.406 2.817 50 50 DFGA COc1ccc(/C(C)=N/NC(=O)Cn2cnc3ccccc32)cc1 12561077 WARWIPDAHQNWDA-DEDYPNTBSA-N 322.368 2.585 50 50 DFGA O=C(NNC(=O)[C@H]1[C@H]2CCCC[C@H]21)Nc1ccc(Cl)cc1 252694316 IQWDRLAUZYRKPL-CLLJXQQHSA-N 307.781 2.929 50 50 DFGA Cc1cc(C)cc(CN(C[C@@H](C)[S@](C)=O)C(=O)CCl)c1 1875374263 HRBQLVYZFHCTLI-XCLFUZPHSA-N 315.866 2.638 50 50 DFGA COCC(=O)N/N=C\c1ccccc1OC/C=C/c1ccccc1 15933799 KLALRPBYHIRDLO-VSYZJNMKSA-N 324.380 2.875 50 50 DFGA CN(C)c1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 76459 WSXGCUXQFDNNOK-MRXNPFEDSA-N 309.369 2.567 50 50 DFGA CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CCl 34925358 ILEXPWNOAWOOOE-UHFFFAOYSA-N 310.737 2.531 50 50 DFGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccncc2)[C@@H]2CCCC=C12 19818653 LYNQWMKXNJUABN-GDBMZVCRSA-N 301.353 2.675 50 50 DFGA CC[C@@H](Br)C(=O)Nc1ccc2c(c1)OCCO2 5909998 MXNRUCDLYCHLLA-SECBINFHSA-N 300.152 2.570 50 50 DFGA CC(=O)N1CCC(N(C(=O)[C@@H](C)Cl)c2ccccc2)CC1 1875364729 RXHYUJLWSANPCI-GFCCVEGCSA-N 308.809 2.658 50 50 DFGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1 50127 IKPRFAJSDYYCRQ-ZDUSSCGKSA-N 304.733 2.595 50 50 DFGA Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c(C)c1 292280 MLCVPLOGGCTJHV-HNNXBMFYSA-N 308.337 2.783 50 50 DFGA C/C(=N\NC(=O)Cc1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1 220981610 FTCIWUIXZZZOQG-QGOAFFKASA-N 311.341 2.986 50 50 DFGA C[C@H](Cl)C(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 1875364566 OCHUFYDYTSSYHP-GWCFXTLKSA-N 312.200 2.869 50 50 DFGA CCc1cc(C(=O)NNC(=S)NCc2ccccc2)cs1 8578721 SPDCQEIQMVGRPD-UHFFFAOYSA-N 319.455 2.620 50 50 DFGA O=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccc(O)cc1 55071987 FYKYCUQFTRWDNO-UHFFFAOYSA-N 323.396 2.774 50 50 DFGA COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)c(OC)c1 292791 ROTNFDJJWGEWTH-QGZVFWFLSA-N 323.352 2.504 50 50 DFGA CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1ccccc1 494737 FJFBASUSZUJUFD-ZDUSSCGKSA-N 318.760 2.550 50 50 DFGA N#CC1=C(N)NC(S)=C(C#N)[C@H]1c1cccc2ccccc12 4786322 HMJXTGDESNFHMH-HNNXBMFYSA-N 304.378 2.885 50 50 DFGA Cc1ccc(/C=N/NC(=O)COc2cccc(Cl)c2)c(O)c1 438743 WVNNTCMRNGJFLM-GIJQJNRQSA-N 318.760 2.883 50 50 DFGA O=C(NNC(=O)[C@@H]1C[C@H]1c1ccccc1)[C@@H]1C[C@@H]1c1ccccc1 4017629 JVCOZZAJCSGVSZ-XMTFNYHQSA-N 320.392 2.741 50 50 DFGA C/C(CC(=O)Nc1ccccc1C)=N\NC(=O)c1ccncc1 4616943 ABXAHVPMAWDXOX-DEDYPNTBSA-N 310.357 2.525 50 50 DFGA CCc1nnc([C@H]2Cc3ccccc3CN2C(=O)[C@H](C)Cl)o1 1875363491 FAJVRVRRGITBGS-GXFFZTMASA-N 319.792 2.885 50 50 DFGA COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1 5101253 MTZMSQDJKVTRJI-GDNBJRDFSA-N 308.337 2.624 50 50 DFGA C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1ccc(O)cc1O 4989980 ODHSDWRLKFCHEN-VXLYETTFSA-N 309.325 2.733 50 50 DFGA C[C@@H](Cl)C(=O)N1CCOC[C@H]1Cc1c[nH]c2ccccc12 1875377587 IASPVGSCERAKOT-DGCLKSJQSA-N 306.793 2.565 50 50 DFGA C[C@H](Cn1cnc2ccccc21)C(=O)N/N=C/c1cccc(O)c1 529448 QSUQUNIJSJAWSK-RNDVCUHJSA-N 322.368 2.528 50 50 DFGA O=C(COc1ccccc1)N/N=C/c1cccc2cccnc12 434874 SARWOZAMWPSTJM-UDWIEESQSA-N 305.337 2.764 50 50 DFGA O=C(CCl)N=c1sccn1Cc1ccccc1Cl 254557300 PYEWRVJBQXWXNV-UHFFFAOYSA-N 301.198 2.917 50 50 DFGA Nc1ccccc1C(=O)N/N=C(\c1ccccc1)c1ccccn1 4709381 ZCPHLHQZCRINQZ-RELWKKBWSA-N 316.364 2.846 50 50 DFGA Cc1cc2c(c(=O)o1)[C@@H](c1sccc1C)C(C#N)=C(N)O2 293376 KZORLJGPNUQHJY-NSHDSACASA-N 300.339 2.536 50 50 DFGA CC[C@H](NC(=O)CCl)C(=O)N[C@H](C)c1ccc(Cl)s1 1875383726 DKIBXYDMMKHKLV-SFYZADRCSA-N 323.245 2.712 50 50 DFGA COc1cc(CN(C(=O)CCl)[C@H]2CCCOC2)ccc1C 1875382407 ZTSDHGABYPXOPS-AWEZNQCLSA-N 311.809 2.750 50 50 DFGA COc1ccccc1OCC(=O)N/N=C/c1c[nH]c2ccccc12 482664 CMCWOTBQENFIRL-RGVLZGJSSA-N 323.352 2.706 50 50 DFGA C/C(=N\NC(=O)c1cc(-c2ccco2)n[nH]1)c1ccc(O)cc1 12343193 XSKNKYKMAVQRER-LICLKQGHSA-N 310.313 2.529 50 50 DFGA COC(=O)c1c(CBr)nc2n(C)c3ccccc3n12 1431842 ZNMSPJHFCKWZSH-UHFFFAOYSA-N 322.162 2.508 50 50 DFGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccco1 102294122 MIVPBVHARBNVQM-CPNJWEJPSA-N 321.421 2.987 50 50 DFGA COc1ccc([C@@H]2Nc3nc4ccccc4n3C(N)=C2C#N)cc1 5028352 JOFZWWALFYEHAW-INIZCTEOSA-N 317.352 2.863 50 50 DFGA O=C(N/N=C/c1ccc(Cl)cc1)[C@@H]1COc2ccccc2O1 192731 GUDXSTZMTSGWLD-UPAIAECRSA-N 316.744 2.630 50 50 DFGA O=C(N/N=C/c1ccccc1)c1cc(-c2ccc(F)cc2)n[nH]1 337148 MUMBSRDFFPRTDF-YBFXNURJSA-N 308.316 2.980 50 50 DFGA CCOC(=O)/C(C#N)=C\c1ccc(OC)c(Br)c1 5952670 ZFAWVVVJOUYWDB-POHAHGRESA-N 310.147 2.928 50 50 DFGA Cc1ccc(NC(=S)NNC(=O)c2ccccc2O)c(C)c1 13497482 GDECUEKBKQJNIF-UHFFFAOYSA-N 315.398 2.640 50 50 DFGA C[C@H](Cl)C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O 1875363566 JRLPUXUEYWLKOW-JOYOIKCWSA-N 315.200 2.531 50 50 DFGA COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1O 71784993 YKJREGSLFZIFLE-MFOYZWKCSA-N 304.733 2.818 50 50 DFGA O=C(CCl)NNC(=O)c1cc2c(Cl)cccc2s1 950757577 WMDMHNFSAOODJH-UHFFFAOYSA-N 303.170 2.555 50 50 DFGA CCc1n[nH]c2c1[C@H](c1ccc(SC)cc1)C(C#N)=C(N)O2 350456 DYTOSEITYGKMPG-CYBMUJFWSA-N 312.398 2.912 50 50 DFGA N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1 36385029 SATDNWVQUANNRD-WQLSENKSSA-N 309.281 2.846 50 50 DFGA O=C(CCl)Nc1ccccc1S(=O)(=O)C1CCCC1 1875374643 BNBWVYCYHDVYNP-UHFFFAOYSA-N 301.795 2.580 50 50 DFGA C[N+](C)(C)CCOP(=O)(c1ccccc1)c1ccccc1 295147 QWGFAPROPRYREH-UHFFFAOYSA-N 304.350 2.638 50 50 DFGA Cc1nc([C@H](NC(=O)CCl)c2ccc(Cl)c(F)c2)no1 1875377666 KMUYXRGIQBSADG-LLVKDONJSA-N 318.135 2.615 50 50 DFGA C=CCc1ccc(OCC(=O)N/N=C/c2ccccc2)c(OC)c1 435790 QSCVYZRUUYHNJK-DEDYPNTBSA-N 324.380 2.953 50 50 DFGA COc1ccc(/C=N/NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1O 4956708 ORYPQCFEZKTPFU-RBXCXTNXSA-N 310.353 2.655 50 50 DFGA CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1ccc(CC)cc1 57509056 CTMUXMVTGSEMIO-AWEZNQCLSA-N 322.792 2.659 50 50 DFGA C/C=C/c1ccc(NC(=O)NNC(=O)Cc2ccncc2)cc1 1875258029 QXYJTGULAQJQSW-NSCUHMNNSA-N 310.357 2.510 50 50 DFGA CCOc1ccccc1/C=N/NC(=O)c1ccc2c(c1)OCO2 487264 BIKNAMKPYCQNCH-VCHYOVAHSA-N 312.325 2.578 50 50 DFGA COc1cc(CCCI)cc2c1OCO2 1848444088 JIJZXTROQRQFKE-UHFFFAOYSA-N 320.126 2.792 50 50 DFGA CCN(CC)c1ccc(/C=N/NC(=O)c2ccco2)cc1O 5568374 UWEZGCVHYRAEPT-GZTJUZNOSA-N 301.346 2.595 50 50 DFGA CN(NC(=O)Nc1cccc2c1CCO2)C(=O)OC(C)(C)C 585136107 QIOWYYBWGMQMDS-UHFFFAOYSA-N 307.350 2.525 50 50 DFGA N#C/C(=C\c1c[nH]c2cc(C(=O)O)ccc12)C(=O)NC1CCCC1 888097008 VEQMDZOTZMTGAM-KPKJPENVSA-N 323.352 2.832 50 50 DFGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(C2CC2)n[nH]1 381616 JSSIRODPDPAPQM-VXLYETTFSA-N 320.352 2.910 50 50 DFGA O=C(N/N=C/c1ccc(Br)cc1)c1ccccn1 227947 ZSLYYVGHLWKLKC-CXUHLZMHSA-N 304.147 2.608 50 50 DFGA N#C/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(O)cc1 434385 SONKXNPLKOZJIV-WQLSENKSSA-N 309.281 2.846 50 50 DFGA O=C(NNC(=O)[C@@H]1CC=CCC1)c1ccccc1Br 273474 KFSMCHYHNWIZPJ-SNVBAGLBSA-N 323.190 2.566 50 50 DFGA COc1ccc(/C=N/NC(=O)[C@H]2C[C@H]2c2ccccc2)cc1O 4956711 ORYPQCFEZKTPFU-WTQAEKLLSA-N 310.353 2.655 50 50 DFGA C=CCO[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169816476 ZGYIRQGZHKUOGE-UHFFFAOYSA-N 316.476 2.856 50 50 DFGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccco1 77754 GQXPDPIOHVFOFN-ZDUSSCGKSA-N 306.277 2.604 50 50 DFGA C/C(=N\NC(=O)CSc1nnc(C)s1)c1ccc(C)cc1 17055434 ZEFNLYJMVKZQJZ-XNTDXEJSSA-N 320.443 2.787 50 50 DFGA Cc1cc(Cl)ccc1CN1CCN(C(=O)[C@@H](C)Cl)CC1 1875380268 KIJOZVANUZBSFC-GFCCVEGCSA-N 315.244 2.920 50 50 DFGA CN(C)c1cccc(C(=O)N/N=C/c2c(F)ccc(O)c2F)c1 1775988595 VPNQONXXLSZZTM-DJKKODMXSA-N 319.311 2.500 50 50 DFGA COc1ccc([C@H](C)NC(=O)[C@H](C)Cl)cc1Cn1cccn1 1875364535 NPNCKGCZNJKEHX-RYUDHWBXSA-N 321.808 2.745 50 50 DFGA O=C(CCCC[C@H]1CCSS1)N1CCC2(C1)OCCO2 170623257 JNBHHTRNGBXWJH-LBPRGKRZSA-N 317.476 2.676 50 50 DFGA O=C(Cc1c[nH]c2ccccc12)N/N=C/c1ccccc1[N+](=O)[O-] 1722161 AVPMSWCPXYHFBA-YBFXNURJSA-N 322.324 2.769 50 50 DFGA N#C/C(=C(\c1ccco1)[C@H](C#N)C=O)c1nc2ccccc2[nH]1 221527585 ZMVHLYWRIMRGTH-VFJWTBQQSA-N 302.293 2.929 50 50 DFGA Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)[C@H](C)Cl 1875366558 XHRNAAZKJPOKFU-BQBZGAKWSA-N 311.735 2.867 50 50 DFGA O=C(N/N=C\c1ccc(O)cc1)c1cccc(Br)c1 32609461 KJMBJRCTGBQGFT-SXGWCWSVSA-N 319.158 2.919 50 50 DFGA COc1cc(OC)c(/C=C(\C#N)C(=O)OC(C)C)c(OC)c1 221985818 LHFLTNGALOSZGQ-IZZDOVSWSA-N 305.330 2.571 50 50 DFGA CCCCCCCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 2756084 BCPSQTRMLUQVIE-UHFFFAOYSA-N 307.350 2.716 50 50 DFGA COc1ccc(/C=N/NC(=O)Cc2c[nH]c3ccccc23)cc1O 43761356 BQVFRCPGZQBFAQ-KEBDBYFISA-N 323.352 2.575 50 50 DFGA C/C(=N\NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)c1ccncc1 12362451 BNWXNXZJGNJPPI-RGVLZGJSSA-N 323.331 2.765 50 50 DFGA COc1ccc(NC(=O)/C(C#N)=C\c2ccc(N(C)C)o2)cc1 30798242 MHNJQUMXOXTJNH-BENRWUELSA-N 311.341 2.900 50 50 DFGA C[C@H](Cl)C(=O)Nc1ccc(Oc2ccccc2C(N)=O)nc1 1875363865 CBHIMMJGRGDKJB-VIFPVBQESA-N 319.748 2.539 50 50 DFGA O=C(N/N=C/C=C(\Br)c1ccccc1)c1cc[nH]n1 5044797 MVRMZABYCXNHQN-BAKATBSMSA-N 319.162 2.561 50 50 DFGA O=C(NNC(=S)Nc1ccc(Cl)cc1Cl)C1CC1 116644 VKAJOVUJHWBMKD-UHFFFAOYSA-N 304.202 2.721 50 50 DFGA Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1ccccc1Cl 55877 CNNREFZQNUNSJA-RQZCQDPDSA-N 304.781 2.763 50 50 DFGA O=C(N/N=C/c1ccc(Cl)cc1)c1cn2c(n1)CCCC2 43761223 VJKWLKXHNMJQOK-RQZCQDPDSA-N 302.765 2.637 50 50 DFGA CCN(C)NC(=O)Cc1csc(COc2ccc(C)cc2)n1 408516576 HKLOLRXHSPNYMF-UHFFFAOYSA-N 319.430 2.556 50 50 DFGA COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)ccc1O 12418985 QFMIGYKAOSBQJF-WQLSENKSSA-N 310.309 2.652 50 50 DFGA biogenic,in-vitro Cc1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)o1 72718 ROSDYSJLBNSVPP-LZYBPNLTSA-N 314.370 2.707 50 50 DFGA COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)c1OC 242180 YGFLAGSTDGKPQS-INIZCTEOSA-N 323.352 2.504 50 50 DFGA N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@H]1c1cccnc1 4718513 BFLMIRAYBVAULU-CQSZACIVSA-N 315.336 2.690 50 50 DFGA O=C(NNc1ncnc2ccccc12)c1cc(-c2ccco2)on1 1616030786 FVTVGIFJCREOQD-UHFFFAOYSA-N 321.296 2.635 50 50 DFGA C/C(=N\NC(=O)Cc1cccs1)c1cccc([N+](=O)[O-])c1 12561008 SVTZWJZNFOEZNN-XNTDXEJSSA-N 303.343 2.739 50 50 DFGA Cc1c(Br)cnn1[C@@H](C)C(=O)NC1=C(C#N)CCC1 6527574 BAFZLAJFKQYHQI-VIFPVBQESA-N 323.194 2.593 50 50 DFGA COCCCNC(=O)/C(C#N)=C\c1cc2c(O)cccc2s1 864086679 HXSVTALUMBLMKD-FLIBITNWSA-N 316.382 2.667 50 50 DFGA Cc1cc(C)cc(CN(C[C@H](C)[S@](C)=O)C(=O)CCl)c1 1875374261 HRBQLVYZFHCTLI-RBZFPXEDSA-N 315.866 2.638 50 50 DFGA O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1 372250 MCOPFTDABNLIJP-UHFFFAOYSA-N 303.749 2.735 50 50 DFGA Cc1c(Cl)cccc1NC(=O)NNC(=O)c1ccccc1O 3085998 NFYNQQOYGWSIKY-UHFFFAOYSA-N 319.748 2.821 50 50 DFGA O=C1O[C@@H]2[C@H]3C[C@@H](C[C@H]13)[C@H]2S[C@H](CCl)C(F)(F)F 245256347 PHZHBRBWSFVGGP-ZQBLYPSISA-N 300.729 2.839 50 50 DFGA N#CC1=C(N)NC(S)=C(C#N)[C@@H]1c1cccc2ccccc12 4786321 HMJXTGDESNFHMH-OAHLLOKOSA-N 304.378 2.885 50 50 DFGA COc1ccc(Cl)cc1NC(=O)NNC(=O)OC(C)(C)C 3086045 HZMSQGVCSZGKEV-UHFFFAOYSA-N 315.757 2.910 50 50 DFGA CC[C@H](NC(=O)CCl)C(=O)N[C@@H](C)c1ccc(Cl)s1 1875383728 DKIBXYDMMKHKLV-YUMQZZPRSA-N 323.245 2.712 50 50 DFGA O=C(CNc1cccc(Cl)c1)N/N=C/c1ccccc1O 235288 VWTSGIMCFQPWAU-GIJQJNRQSA-N 303.749 2.608 50 50 DFGA NNC(=O)c1ccc(CSc2nc3ccccc3s2)o1 37136 JTPVYECKRLSZCG-UHFFFAOYSA-N 305.384 2.785 50 50 DFGA C[C@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1ccccc1O 286387 CDNOYMFFSZYOOA-HPAYWCODSA-N 318.760 2.963 50 50 DFGA N#C/C(=C/c1ccc(C(=O)O)cc1)C(=O)NCc1ccccc1 4723683 XQRIOKWYYJUPAX-YBEGLDIGSA-N 306.321 2.608 50 50 DFGA C[C@@H](NC(=O)[C@H]1C[C@H]1I)c1ccccc1 97447188 ZALXTZVAKGFBEX-DVVUODLYSA-N 315.154 2.687 50 50 DFGA O=C(NNc1nccnc1Cl)C1(c2cccc(F)c2)CCC1 170653542 ZXCJKLCZPFUFFR-UHFFFAOYSA-N 320.755 2.834 50 50 DFGA CC(C)(C)[Si](C)(C)OC1(CCNC2(C(N)=O)CC2)CCC1 888096160 MKODKUDTUYIESL-UHFFFAOYSA-N 312.530 2.929 50 50 DFGA CO[C@@H](C(=O)N/N=C/c1ccc(N(C)C)cc1)c1ccccc1 438232 CVJHAQCBBLTMER-HNMKQIAWSA-N 311.385 2.590 50 50 DFGA O=C(N/N=C/c1cccc(Cl)c1)c1n[nH]c2c1CCCC2 8683117 YAWKUSXSGCSSTJ-RQZCQDPDSA-N 302.765 2.706 50 50 DFGA C/C(=N\NC(=O)Cc1ccccc1)c1ccc(-n2ccnc2)cc1 20158409 DADWSRHWHJGNGK-RCCKNPSSSA-N 318.380 2.955 50 50 DFGA O=C1O[C@H]2C[C@@]34CCCC[C@]3(C[C@H]2I)[C@H]14 254854584 PEFIJDLONBYQKX-RNFDAIKLSA-N 318.154 2.686 50 50 DFGA C/C(=N\OCC(=O)N/N=C/c1ccccc1)c1cccs1 4996644 XHQOYRYQCJQUGZ-VKXALQBDSA-N 301.371 2.639 50 50 DFGA CN(C)c1cccc(C(=O)N/N=C/c2cccc(Cl)c2O)c1 1775994713 HGWAEVXUJHWVJO-VCHYOVAHSA-N 317.776 2.876 50 50 DFGA CC(=C/c1ccccc1)/C=N/NC(=O)C(=O)Nc1ccccc1 2544094 JWNIFEAMXSCJHS-WROMKANLSA-N 307.353 2.831 50 50 DFGA NC(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 2542433 ABQVLKKZYXSWEM-GIJQJNRQSA-N 317.732 2.561 50 50 DFGA CCc1nn(Cc2ccccc2)c(CC)c1CNC(=O)CCl 1875375161 SPRASKHIXCLCMF-UHFFFAOYSA-N 319.836 2.911 50 50 DFGA O=C(N/N=C/c1ccc(F)cc1)c1cc(-c2ccccc2)n[nH]1 18276145 XDQLJVHUTCVJNT-YBFXNURJSA-N 308.316 2.980 50 50 DFGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(O)cc3)[nH]n2)cc1 5296107 OEQRJVZNAPSPQS-YBFXNURJSA-N 320.352 2.855 50 50 DFGA Cc1ccccc1OCC(=O)N/N=C1\CCOc2c(C)cccc21 376701 MMXQYQPADDMCBB-CAPFRKAQSA-N 324.380 2.985 50 50 DFGA Cc1cc2c(c(=O)o1)[C@H](c1ccccc1Cl)C(C#N)=C(N)O2 196812 NXJIUFBSYJBPKQ-CYBMUJFWSA-N 314.728 2.820 50 50 DFGA Cn1cncc1C(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1 585128123 SFKGHTAXKWMTLP-LBPRGKRZSA-N 309.486 2.656 50 50 DFGA N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@@H]1c1ccco1 4014766 QWWLKDHKBJHNSI-NSHDSACASA-N 310.338 2.949 50 50 DFGA CCCc1n[nH]c2c1[C@H](c1ccc(F)cc1F)C(C#N)=C(N)O2 377161 BBRGCQVWDXJMDC-CYBMUJFWSA-N 316.311 2.859 50 50 DFGA N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@H]1c1cccnc1 4718512 BFLMIRAYBVAULU-AWEZNQCLSA-N 315.336 2.690 50 50 DFGA COc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)c1 18324364 XHISGSZLXLLKEL-CYBMUJFWSA-N 324.384 2.934 50 50 DFGA