Spaces:
Paused
Paused
File size: 207,596 Bytes
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BrC1=CN2C[n+]3cc(Br)ccc3N=C2C=C1,CO,434.0
Brc1ccc(-[n+]2nc3c(-c4ccccc4)cc(Br)cc3c3ccccc32)cc1,ClCCl,479.0
Brc1ccc(-c2pc3ccccc3s2)cc1,CC#N,337.0
Brc1ccc(/C=C/N(c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,347.0
Brc1ccc2[nH]c(-c3ccc(-c4ccc(-c5ccc(-c6nc7cc(Br)ccc7[nH]6)cc5)cc4)cc3)nc2c1,CN(C)C=O,350.0
Brc1ccc2[nH]c3ccc(Br)cc3c2c1,C1CCCCC1,412.0
Brc1ccc2c(c1)Cc1cc(Br)ccc1-2,CCOC(C)=O,411.0
C#Cc1ccc2c(C)cc(=O)oc2c1,CCO,325.0
C#Cc1nc(C=Cc2ccc(N(C)C)cc2)cc(C=Cc2ccc(N(C)C)cc2)n1,ClCCl,440.0
C(#Cc1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccccc1,CC#N,324.0
C(#Cc1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccccc1,CCCCC,323.0
C(#Cc1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccccc1,CO,322.0
C(#Cc1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccccc1,Cc1ccccc1,329.0
C(#Cc1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccccc1,ClC(Cl)Cl,326.0
C(#Cc1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccccc1,ClCCl,326.0
C(#Cc1ccc(C#Cc2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1)c1ccccc1,ClCCl,349.0
C(#Cc1ccc(C=Cc2ccncn2)s1)c1ccc(N(c2ccc(C#Cc3ccc(C=Cc4ccncn4)s3)cc2)c2ccc(C#Cc3ccc(C=Cc4ccncn4)s3)cc2)cc1,CCCCCC,468.0
C(#Cc1ccc(C=Cc2cnc3ccccc3n2)s1)c1ccc(N(c2ccc(C#Cc3ccc(C=Cc4cnc5ccccc5n4)s3)cc2)c2ccc(C#Cc3ccc(C=Cc4cnc5ccccc5n4)s3)cc2)cc1,ClCCl,485.0
C(#Cc1ccc2ccc3cccc4ccc1c2c34)c1ccccc1,Cc1ccccc1,362.0
C(#Cc1cccc(C#Cc2ccc(-n3c4ccccc4c4ccccc43)cc2)c1)c1ccc(-n2c3ccccc3c3ccccc32)cc1,CC#N,331.0
C(#Cc1cccc(C#Cc2ccc(-n3c4ccccc4c4ccccc43)cc2)c1)c1ccc(-n2c3ccccc3c3ccccc32)cc1,CCCCC,334.0
C(#Cc1cccc(C#Cc2ccc(-n3c4ccccc4c4ccccc43)cc2)c1)c1ccc(-n2c3ccccc3c3ccccc32)cc1,CO,330.0
C(#Cc1cccc(C#Cc2ccc(-n3c4ccccc4c4ccccc43)cc2)c1)c1ccc(-n2c3ccccc3c3ccccc32)cc1,Cc1ccccc1,336.0
C(#Cc1cccc(C#Cc2ccc(-n3c4ccccc4c4ccccc43)cc2)c1)c1ccc(-n2c3ccccc3c3ccccc32)cc1,ClC(Cl)Cl,338.0
C(#Cc1cccc(C#Cc2ccc(-n3c4ccccc4c4ccccc43)cc2)c1)c1ccc(-n2c3ccccc3c3ccccc32)cc1,ClCCl,329.0
C(#Cc1cccs1)C(C#Cc1cccs1)=Cc1ccc(C=C(C#Cc2cccs2)C#Cc2cccs2)s1,ClC(Cl)Cl,486.0
C(#Cc1ncc(-c2ccccc2)o1)c1cccnc1,ClCCl,330.0
C(#Cc1ncnc2ccccc12)c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,411.0
C(/C=C/c1ccccc1)=C\c1ccccc1,CCCCCC,347.0
C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2cc(-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c(-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)cc2-c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1,C1CCOC1,330.0
C(=C/c1c2ccccc2cc2ccccc12)\c1ccc(/C=C/c2ccc3ccc4cccc5ccc2c3c45)cc1,CCCCCC,402.0
C(=C/c1c2ccccc2cc2ccccc12)\c1ccc(/C=C/c2ccc3ccc4cccc5ccc2c3c45)cc1,CS(C)=O,418.0
C(=C/c1c2ccccc2cc2ccccc12)\c1ccc(/C=C/c2ccc3ccc4cccc5ccc2c3c45)cc1,ClCCl,411.0
C(=C/c1c2ccccc2cc2ccccc12)\c1ccc2ccccc2c1,CC#N,387.0
C(=C/c1c2ccccc2cc2ccccc12)\c1ccc2ccccc2c1,CC1CCCCC1,386.0
C(=C/c1c2ccccc2cc2ccccc12)\c1cnc2ccccc2c1,CC#N,386.0
C(=C/c1c2ccccc2cc2ccccc12)\c1cnc2ccccc2c1,CC1CCCCC1,386.0
C(=C/c1c[nH]cn1)\c1cc[n+]2ccc(/C=C/c3c[nH]cn3)cc2c1,CO,430.0
C(=C/c1cc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)ncn1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,427.0
C(=C/c1cc[n+](Cc2ccccc2)cc1)\c1cc[n+](Cc2ccccc2)cc1,CC#N,324.0
C(=C/c1ccc(-c2ccncc2)cc1)\c1ccc(-c2ccncc2)cc1,ClCCl,345.0
C(=C/c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2nsnc12)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,C1CCOC1,512.0
C(=C/c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2nsnc12)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,CCOC(C)=O,502.0
C(=C/c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2nsnc12)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,CN(C)C=O,513.0
C(=C/c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2nsnc12)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,521.0
C(=C/c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2nsnc12)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClC(Cl)Cl,514.0
C(=C/c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2nsnc12)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,512.0
C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)\c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,C1CCOC1,406.0
C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)\c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,CS(C)=O,414.0
C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)\c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,Cc1ccccc1,410.5
C(=C/c1ccc2ccccc2c1)\c1ccc(Nc2ccccc2)cc1,CC#N,361.0
C(=C/c1ccc2ccccc2c1)\c1ccc(Nc2ccccc2)cc1,CCCCCC,355.0
C(=C/c1ccccc1/C=C/c1c2ccccc2cc2ccccc12)\c1ccncc1,C1CCOC1,388.0
C(=C/c1ccncn1)\c1ccc(N2CCCCC2)cc1,C1CCOC1,381.0
C(=C/c1ccncn1)\c1ccc(N2CCCCC2)cc1,CC#N,378.0
C(=C/c1ccncn1)\c1ccc(N2CCCCC2)cc1,CCCCCCC,375.0
C(=C/c1ccncn1)\c1ccc(N2CCCCC2)cc1,CS(C)=O,389.0
C(=C/c1ccncn1)\c1ccc(N2CCCCC2)cc1,ClCCl,386.0
C(=C/c1cnc2ccccc2n1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,C1CCOC1,423.0
C(=C/c1cnc2ccccc2n1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,CC#N,425.0
C(=C/c1cnc2ccccc2n1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,CS(C)=O,436.0
C(=C/c1cnc2ccccc2n1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,427.0
C(=C/c1nc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)n1)\c1ccccc1,ClCCl,430.0
C(=C/c1nc2ccccc2o1)\c1ccc(Cn2cc(-c3ccc(N(c4ccccc4)c4ccc(-c5cn(Cc6ccc(/C=C/c7nc8ccccc8o7)cc6)nn5)cc4)cc3)nn2)cc1,CN(C)C=O,324.0
C(=C/c1nc2ccccc2o1)\c1ccccc1,C1CCCCC1,320.0
C(=C/c1nc2ccccc2o1)\c1ccccc1,CO,320.0
C(=C/c1nc2ccccc2s1)\c1ccc(Cn2cc(-c3ccc(N(c4ccccc4)c4ccc(-c5cn(Cc6ccc(/C=C/c7nc8ccccc8s7)cc6)nn5)cc4)cc3)nn2)cc1,CN(C)C=O,344.0
C(=C/c1nc2ccccc2s1)\c1ccc(Cn2cc(COc3cc(Cn4cc(-c5ccc(N(c6ccccc6)c6ccc(-c7cn(Cc8cc(OCc9cn(Cc%10ccc(/C=C/c%11nc%12ccccc%12s%11)cc%10)nn9)cc(OCc9cnnn9Cc9ccc(/C=C/c%10nc%11ccccc%11s%10)cc9)c8)nn7)cc6)cc5)nn4)cc(OCc4cnnn4Cc4ccc(/C=C/c5nc6ccccc6s5)cc4)c3)nn2)cc1,CN(C)C=O,346.0
C(=Cc1cc(-c2ccccn2)nc(-c2ccccn2)n1)c1ccc(C=C2C=C(c3ccccc3)OC(c3ccccc3)=C2)cc1,ClCCl,460.0
C(=Cc1ccc(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)c2nsnc12)c1ccc(N(c2ccccc2)c2ccccc2)cc1,CN(C)C=O,391.0
C(=Cc1ccn2cc(-c3ccccc3)nc2c1)c1ccc(NN2CCCCC2)cc1,Cc1ccccc1,581.0
C(C#Cc1ccc2ccc3cccc4ccc1c2c34)#Cc1cccc2ccccc12,C1CCCCC1,409.0
C(C#Cc1ccc2ccc3cccc4ccc1c2c34)#Cc1cccc2ccccc12,CC#N,407.0
C(C#Cc1ccc2ccc3cccc4ccc1c2c34)#Cc1cccc2ccccc12,CO,406.0
C(C#Cc1ccc2ccc3cccc4ccc1c2c34)#Cc1cccc2ccccc12,ClCCl,412.0
C(C#Cc1ccccc1)#Cc1ccccc1,CCO,326.0
C(S/C=C/c1ccc(/C=C/SC=C2CCCCC2)cc1)=C1CCCCC1,ClCCl,350.0
C1=C(c2ccc(-c3cccs3)s2)CCC1,C1CCOC1,345.0
C1=C(c2ccc(-c3cccs3)s2)CCC1,CC#N,342.0
C1=C(c2ccc(-c3cccs3)s2)CCC1,CCCCCC,341.0
C1=C(c2ccc(-c3cccs3)s2)CCC1,CCO,344.5
C1=C(c2ccc(-c3cccs3)s2)CCC1,OCCOCCO,347.0
C1=C(c2ccc(-c3cccs3)s2)CCC1,c1ccncc1,348.0
C1=C(c2ccccc2)C=C(c2ccccc2)/C1=C/C1CCCCC1,C1CCOC1,365.0
C1=C(c2ccccc2)C=C(c2ccccc2)/C1=C/c1ccc2ccc3cccc4ccc1c2c34,C1CCOC1,422.0
C1=C2B(Nc3ccccc31)c1ccccc1C(c1ccccc1)=C2c1ccccc1,ClCCl,383.0
C1=C2B(OB3C(=Cc4ccccc4N3c3ccccc3)C(c3ccccc3)=C2c2ccccc2)N(c2ccccc2)c2ccccc21,ClCCl,419.0
C1=CB2C=Cc3ccccc3N2C=C1,C1CCCCC1,310.0
C1=Cc2nc1c(-c1ccco1)c1ccc([nH]1)c(-c1ccco1)c1nc(c(-c3ccco3)c3ccc(s3)c2-c2ccco2)C=C1,ClCCl,448.0
C=C(C)C(CN1C(=O)c2cccc3c2c(cc2nc(C)oc23)C1=O)OO,CCO,361.0
C=C(C)C(CN1C(=O)c2cccc3c2c(cc2oc(C)nc23)C1=O)OO,CCO,362.0
C=CCCCCCCC(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1,CS(C)=O,423.0
C=CCN(CC=C)c1ccc(-c2cc(-c3ccc(N(CC=C)CC=C)cc3)cc(-c3ccc(N(CC=C)CC=C)cc3)c2)cc1,ClCCl,315.8536585
C=CCN1c2ccccc2C(C)(C)C12C=Cc1c(c(-c3nc(-c4ccccc4)c(-c4ccccc4)o3)cc3ccccc13)O2,Cc1ccccc1,304.0
C=CCNc1ccc2ccc3oc4cc(=[N+](C)C)ccc-4nc3c2c1,CC#N,569.0
C=CCNc1ccc2ccc3oc4cc(=[N+](C)C)ccc-4nc3c2c1,CCO,572.0
C=CCNc1ccc2ccc3oc4cc(=[N+](C)C)ccc-4nc3c2c1,ClCCl,582.0
C=CCNc1ccc2ccc3oc4cc(=[N+](C)C)ccc-4nc3c2c1,O,552.0
C=CCOc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1,CS(C)=O,564.0
C=CCn1c(=O)c2c(nc(/C=C/C(=O)OCCCC)n2C)n(C)c1=O,ClCCl,351.0
C=Cc1ccc(N(c2ccccc2)c2ccc(C=CC=C(C#N)C(=O)O)cc2)cc1,CO,425.0
C=Cc1ncccc1-c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-c5cccnc5C=C)s4)ccc2n3C)s1,OCc1ccccc1,754.0
C=c1c2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)n(CC)c(=C)c2c(-c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc2)n1CC,CCO,423.0
CC(/C=C/c1cc(C)c2n1[B-](F)(F)[N+]1=CC=CC1=C2)=C\c1ccccc1,CS(C)=O,564.0
CC(=O)C1=C(O)CC2Oc3c(C(C)=O)c(O)c(C)c(O)c3C2(C)C1=O,ClC(Cl)Cl,340.0
CC(=O)CCc1ccc2c(N=Nc3c([N+](=O)[O-])cc(C(=O)O)cc3[N+](=O)[O-])c(O)ccc2c1,CCOC(C)=O,470.0
CC(=O)Nc1ccc(C(=O)NC2=CC(=O)C(=O)c3ccccc32)cc1,CCO,293.0
CC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)cc1,CS(C)=O,431.0
CC(=O)Nc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1,C1COCCO1,438.0
CC(=O)OCCN1C(=O)c2cccc3c(Oc4ccc(C#N)cc4)ccc(c23)C1=O,ClC(Cl)Cl,351.0
CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1cccc(OCCOc2cc(NS(=O)(=O)c3ccc(C4=c5cc6c7c(c5Oc5c4cc4c8c5CCCN8CCC4)CCC[N+]=7CCC6)c(S(=O)(=O)[O-])c3)ccc2N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O)c1,O,589.0
CC(=O)OC[C@@H]1O[C@H](n2cnc3c2N=CN2Cc4c[n+](C)c(C)nc4N=C32)[C@@H](O)[C@H]1O,CC#N,392.0
CC(=O)OC[C@@H]1O[C@H](n2cnc3c2N=CN2Cc4c[n+](C)c(C)nc4N=C32)[C@@H](O)[C@H]1O,CCO,389.0
CC(=O)OC[C@@H]1O[C@H](n2cnc3c2N=CN2Cc4c[n+](C)c(C)nc4N=C32)[C@@H](O)[C@H]1O,O,383.0
CC(=O)O[B-]1(OC(C)=O)OC(/C=C/c2cccc3ccccc23)=CC(/C=C/c2cccc3ccccc23)=[O+]1,C1CCOC1,464.0
CC(=O)O[B-]1(OC(C)=O)OC(/C=C/c2cccc3ccccc23)=CC(/C=C/c2cccc3ccccc23)=[O+]1,CC#N,468.0
CC(=O)O[B-]1(OC(C)=O)OC(/C=C/c2cccc3ccccc23)=CC(/C=C/c2cccc3ccccc23)=[O+]1,CC(C)=O,464.0
CC(=O)O[B-]1(OC(C)=O)OC(/C=C/c2cccc3ccccc23)=CC(/C=C/c2cccc3ccccc23)=[O+]1,CS(C)=O,478.0
CC(=O)O[B-]1(OC(C)=O)OC(/C=C/c2cccc3ccccc23)=CC(/C=C/c2cccc3ccccc23)=[O+]1,Cc1ccccc1,468.0
CC(=O)O[B-]1(OC(C)=O)OC(/C=C/c2cccc3ccccc23)=CC(/C=C/c2cccc3ccccc23)=[O+]1,ClC(Cl)Cl,474.0
CC(=O)O[B-]1(OC(C)=O)OC(/C=C/c2cccc3ccccc23)=CC(/C=C/c2cccc3ccccc23)=[O+]1,ClCCl,472.0
CC(=O)Oc1ccccc1C(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1,CS(C)=O,430.0
CC(=O)[B-]1(C(C)=O)OC(c2ccccc2)=CC(c2ccccc2)=[O+]1,CC#N,377.0
CC(=O)[B-]1(C(C)=O)OC(c2ccccc2)=CC(c2ccccc2)=[O+]1,ClC(Cl)(Cl)Cl,382.0
CC(=O)c1c(N[C@@H](Cc2ccc(O)cc2)C(=O)O)c2ccc(N(C)C)cc2oc1=O,ClCCl,368.0
CC(=O)c1c(N[C@H](C(=O)O)C(C)C)c2ccc(N(C)C)cc2oc1=O,ClCCl,371.0
CC(=O)c1c2c(cc3c(N(C)C)cccc13)CCC2,C1CCCCC1,314.0
CC(=O)c1c2c(cc3c(N(C)C)cccc13)CCC2,C1CCOC1,330.0
CC(=O)c1c2c(cc3c(N(C)C)cccc13)CCC2,C1COCCO1,319.0
CC(=O)c1c2c(cc3c(N(C)C)cccc13)CCC2,CC#N,316.0
CC(=O)c1c2c(cc3c(N(C)C)cccc13)CCC2,CCO,334.0
CC(=O)c1c2c(cc3c(N(C)C)cccc13)CCC2,CS(C)=O,334.0
CC(=O)c1c2c(cc3c(N(C)C)cccc13)CCC2,Cc1ccccc1,322.0
CC(=O)c1c2c(cc3c(N(C)C)cccc13)CCC2,ClC(Cl)Cl,334.0
CC(=O)c1c2c(cc3c(N(C)C)cccc13)CCC2,ClCCl,334.0
CC(=O)c1c2c(cc3ccc(N4CCCC4)cc13)CCC2,ClCCl,390.0
CC(=O)c1c2c(cc3ccc(N4CCCCC4)cc13)CCC2,ClCCl,362.0
CC(=O)c1ccc(-c2c(-c3ccc(C(C)=O)cc3)c3cc(C(C)(C)C)cc4c(-c5ccc(C(C)=O)cc5)c(-c5ccc(C(C)=O)cc5)c5cccc2c5[n+]34)cc1,ClCCl,353.0
CC(=O)c1ccc(-c2c3ccccc3nn2C)o1,CC#N,355.0
CC(=O)c1ccc(-c2c3ccccc3nn2C)o1,ClCCl,359.0
CC(=O)c1ccc(/C=C/N(c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,380.0
CC(=O)c1ccn2c3c(c(-c4ccc(C)cc4)c2c1)CN(CCCNC(=O)OC(C)(C)C)C3=O,CO,404.0
CC(=O)c1nc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)oc1C,CC#N,332.0
CC(=O)c1nc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)oc1C,CCCCCC,324.0
CC(=O)c1nc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)oc1C,CCO,333.0
CC(=O)c1nc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)oc1C,CCOC(C)=O,326.0
CC(=O)c1nc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)oc1C,CCOCC,326.0
CC(=O)c1nc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)oc1C,ClCCl,328.0
CC(=O)c1nn(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc1-c1ccccc1,C1CCOC1,358.0
CC(C)(C)C(=Cc1ccc2ccccc2n1)NN=Cc1ccc([N+](=O)[O-])cc1,CCO,460.0
CC(C)(C)C(=Cc1ccc2ccccc2n1)NN=Cc1ccccc1[N+](=O)[O-],CCO,450.0
CC(C)(C)NC(=O)C(OC(=O)c1ccccc1)C1=CC2=C(c3ccc(Br)cc3)c3cccn3[B-](F)(F)[N+]2=C1,CCOC(C)=O,507.0
CC(C)(C)NC(=O)c1ccc(-c2ccccc2)c2ccc3c4ccccc4c4ccccc4c3c12,ClCCl,336.0
CC(C)(C)Nc1c(-c2ccc(-c3cc(=O)cc(-c4ccccc4)o3)cc2)nc2ccccn12,ClCCl,355.0
CC(C)(C)OC(=O)NCCCN1Cc2c(-c3ccccc3)c3ccc4oc(-c5ccccc5)cc4n3c2C1=O,ClCCl,410.0
CC(C)(C)[Si](C)(C)C#CC1=CC2=c3cc(C#C[Si](C)(C)C(C)(C)C)c4nc(C(F)(F)C(F)(F)C(F)(F)F)nc5c(C#C[Si](C)(C)C(C)(C)C)cc(c3c54)C3=CC(C#C[Si](C)(C)C(C)(C)C)=C4N=C(C(F)(F)C(F)(F)C(F)(F)F)N=C1C4C32,C1CCOC1,513.0
CC(C)(C)c1cc(/C2=C3\C=CC(=N3)/C(C#Cc3ccc(C#Cc4ccc(C(=O)O)cc4)c4ccccc34)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)=C2/C=CC(=N2)/C=4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1,C1CCOC1,458.0
CC(C)(C)c1cc(/C2=C3\C=CC(=N3)/C=c3/cc/c4n3[Zn]n3c(ccc32)/C(C#Cc2ccc(C(=O)O)cc2)=C2/C=CC(=N2)/C=4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1,C1CCOC1,618.0
CC(C)(C)c1cc(/C2=c3\cc/c4n3[Zn]N3C(C=CC3/C(c3ccc(C(=O)O)cc3)=C3/C=CC(=N3)/N=4)/N=C3/C=CC2=N3)cc(C(C)(C)C)c1,CN(C)C=O,685.0
CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[B-](F)(F)[n+]1c-2[nH]c(=O)c2ccccc21,CC#N,357.0
CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[B-](F)(F)[n+]1c-2[nH]c(=O)c2ccccc21,Cc1ccccc1,366.0
CC(C)(C)c1cc2c3c(c1)C(C)(C)c1cc(C(C)(C)C)cc4c1N3c1c(cc(-c3ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s3)cc1C4(C)C)C2(C)C,C1CCOC1,471.0
CC(C)(C)c1cc2c3c(c1)c1cc(C(C)(C)C)cc4c1n3B1c3c-2cccc3-c2cc(C(C)(C)C)cc3c5cc(C(C)(C)C)cc-4c5n1c23,C1CCOC1,439.0
CC(C)(C)c1cc2c3c(c1)c1cc(C(C)(C)C)cc4c1n3B1c3c-2cccc3-c2cc(C(C)(C)C)cc3c5cc(C(C)(C)C)cc-4c5n1c23,ClCCl,439.0
CC(C)(C)c1ccc(-c2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(C#N)c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(-c3ccc(C(C)(C)C)cc3)c2-c2ccc(C(C)(C)C)cc2)cc1,C1CCOC1,330.0
CC(C)(C)c1ccc(-c2c(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c(C#N)c(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c(-c3ccc(C(C)(C)C)cc3)c2-c2ccc(C(C)(C)C)cc2)cc1,C1CCOC1,345.0
CC(C)(C)c1ccc(-c2c3c(c(-c4ccc(C(C)(C)C)cc4)c4cc5ccccc5cc24)Cc2c(c(-c4ccc(C(C)(C)C)cc4)c4cc5ccccc5cc4c2-c2ccc(C(C)(C)C)cc2)C3)cc1,ClCCl,393.0
CC(C)(C)c1ccc(-c2ccc(N(c3ccc(/C=C/c4sc(/C=C(/C#N)C(=O)O)c5c4OCCO5)cc3)c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1,CCO,467.0
CC(C)(C)c1ccc(-c2nnc(-c3c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)c(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)o2)cc1,Cc1ccccc1,396.0
CC(C)(C)c1ccc(-c2sc(-c3ccc(C(C)(C)C)cc3)c3[nH]c(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)cc4)nc23)cc1,C1CCOC1,392.0
CC(C)(C)c1ccc(-n2c(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7nc8c9ccccc9c9ccccc9c8n7-c7ccc(C(C)(C)C)cc7)cc6)c6ccc(-c7nc8c9ccccc9c9ccccc9c8n7-c7ccc(C(C)(C)C)cc7)cc6)cc5)cc4)c4ccc(-c5nc6c7ccccc7c7ccccc7c6n5-c5ccc(C(C)(C)C)cc5)cc4)cc3)nc3c4ccccc4c4ccccc4c32)cc1,ClCCl,377.0
CC(C)(C)c1ccc(N(c2ccc(S(=O)(=O)c3ccc(S(=O)(=O)c4ccc(N(c5ccc(C(C)(C)C)cc5)c5ccccc5C(C)(C)C)cc4)cc3)cc2)c2ccccc2C(C)(C)C)cc1,Cc1ccccc1,351.0
CC(C)(C)c1ccc(N2c3ccc(-c4ccc(-c5ccc(/C=C(/C#N)C(=O)O)s5)c5nsnc45)cc3C3CCCC32)cc1,ClCCl,535.0
CC(C)(C)c1ccc(Oc2cc3c4c(cc(Oc5ccc(C(C)(C)C)cc5)c5c6c(Oc7ccc(C(C)(C)C)cc7)cc7c8c(cc(Oc9ccc(C(C)(C)C)cc9)c(c2c45)c86)C(=O)N(Cc2ccccc2)C7=O)C(=O)N(Cc2ccccc2)C3=O)cc1,ClC(Cl)Cl,581.0
CC(C)(C)c1ccc(Oc2cc3c4c(cc(Oc5cccc(C(C)(C)C)c5)c5c6cccc7c(C#Cc8ccc(C(=O)O)cc8)ccc(c2c45)c76)C(=O)N(c2cc(C(C)(C)C)ccc2C(C)(C)C)C3=O)cc1,CN(C)C=O,536.0
CC(C)(C)c1ccc2c(N(c3ccccc3)c3cccc4ccccc34)c3cc(C(C)(C)C)ccc3c(-c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nsnc45)s3)c2c1,C1CCOC1,486.0
CC(C)(C)c1ccc2c(c1)C1=Nc3c4cc(C(C)(C)C)ccc4c4n3[Zn]n3c(c5ccc(C(C)(C)C)cc5c3=NC3=NC(=N4)c4ccc(C(=O)O)cc43)=NC2=N1,CCO,670.0
CC(C)(C)c1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)[n+]1c3ccccc3c(-c3ccccc3)c(-c3ccccc3)c21,ClCCl,450.0
CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c(C#N)c1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21,Cc1ccccc1,422.84
CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2cccs2)s1,ClCCl,340.0
CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c(C(=O)c2ccncc2)c1,Cc1ccccc1,418.0
CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C#Cc2ccccc2)cc1,CC#N,329.0
CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C#Cc2ccccc2)cc1,CCCCC,329.0
CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C#Cc2ccccc2)cc1,CO,329.0
CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C#Cc2ccccc2)cc1,Cc1ccccc1,335.0
CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C#Cc2ccccc2)cc1,ClC(Cl)Cl,329.0
CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C#Cc2ccccc2)cc1,ClCCl,334.0
CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C(=C(C#N)C#N)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)cc1,Cc1ccccc1,438.0
CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(N(c2ccc(-c3ccc(N(c4ccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)cc4)c4ccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)cc4)cc3)cc2)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)cc1,ClCCl,349.0
CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2cc(/C=C(\C#N)c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)s3)ccc2c1,ClCCl,470.0
CC(C)(C)c1ccc2c3c(c4ccc(C(C)(C)C)cc4c2c1)=[N+]1C(=C(c2ccccc2)c2c(Br)c4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc5c4n2[B-]1(F)F)C=3Br,C1CCCCC1,689.0
CC(C)(C)c1ccc2c3c(c4ccc(C(C)(C)C)cc4c2c1)=[N+]1C(=C(c2ccccc2)c2c(Br)c4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc5c4n2[B-]1(F)F)C=3Br,C1CCOC1,686.0
CC(C)(C)c1ccc2c3c(c4ccc(C(C)(C)C)cc4c2c1)=[N+]1C(=C(c2ccccc2)c2c(Br)c4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc5c4n2[B-]1(F)F)C=3Br,CC#N,682.0
CC(C)(C)c1ccc2c3c(c4ccc(C(C)(C)C)cc4c2c1)=[N+]1C(=C(c2ccccc2)c2c(Br)c4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc5c4n2[B-]1(F)F)C=3Br,Cc1ccccc1,691.0
CC(C)(C)c1ccc2c3c(c4ccc(C(C)(C)C)cc4c2c1)=[N+]1C(=C(c2ccccc2)c2c(Br)c4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc5c4n2[B-]1(F)F)C=3Br,ClCCl,689.0
CC(C)(C)c1ccc2ccc3c(C(C)(C)C)ccc4ccc1c2c43,CCCCCC,346.0
CC(C)(C)c1ccc2ccc3c(C(C)(C)C)ccc4ccc1c2c43,CO,345.0
CC(C)(C)c1ccc2ccc3c(C(C)(C)C)ccc4ccc1c2c43,ClCCl,348.0
CC(C)(C)c1cccc(-[n+]2nc3cc(C(C)(C)C)ccc3c3cc(F)ccc32)c1,ClCCl,382.0
CC(C)(C)c1cccc2c([O-])cccc12,O,333.0
CC(C)(C)c1cccc2c3ccccc3n(-c3ccc(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5c4)cc3)c12,ClCCl,331.0
CC(C)(C)c1ccccc1N(c1ccccc1)c1ccc(S(=O)(=O)c2ccc(S(=O)(=O)c3ccc(N(c4ccccc4)c4ccccc4C(C)(C)C)cc3)cc2)cc1,Cc1ccccc1,348.0
CC(C)=C(C)C,CCCCCCC,196.0
CC(C)=CCN1C(=O)c2cccc3c2c(cc2nc(C)oc23)C1=O,CCO,362.0
CC(C)=CCN1C(=O)c2cccc3c2c(cc2oc(C)nc23)C1=O,CCO,362.0
CC(C)=NO,CCO,193.0
CC(C)CCC1(CCC(C)C)c2ccccc2-c2ccc(-c3cc4c(-c5ccc6c(c5)C(CCC(C)C)(CCC(C)C)c5ccccc5-6)cc(-c5ccc6c(c5)C(CCC(C)C)(CCC(C)C)c5ccccc5-6)c5cc(-c6ccc7c(c6)C(CCC(C)C)(CCC(C)C)c6ccccc6-7)c6cc(C(C)(C)C)cc3c6c45)cc21,ClCCl,442.0
CC(C)CCC1(CCC(C)C)c2ccccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21,ClCCl,400.0
CC(C)CCCN1c2ccccc2CCc2ccccc21,CC#N,276.0
CC(C)CCCN1c2ccccc2CCc2ccccc21,CO,276.0
CC(C)CCOc1cc(/C=C(\C#N)C(=O)O)c(OCCC(C)C)cc1/C=C/c1ccc(N(c2ccc3c(c2)-c2ccccc2C3(C)C)c2ccc3c(c2)-c2ccccc2C3(C)C)cc1,C1CCOC1,457.0
CC(C)CCOc1ccc(N(c2ccc(/C=C/c3nc4ccc(C(=O)O)cc4nc3/C=C/c3ccc(N(c4ccc(OCCC(C)C)cc4)c4ccc(OCCC(C)C)cc4)cc3)cc2)c2ccc(OCCC(C)C)cc2)cc1,ClC(Cl)Cl,484.0
CC(C)CCOc1ccc(N2c3ccccc3Sc3cc(/C=C/c4ccc(-c5nc6cc(C(=O)O)c(C(=O)O)cc6nc5-c5ccc(/C=C/c6ccc7c(c6)Sc6ccccc6N7c6ccc(OCCC(C)C)cc6)s5)s4)ccc32)cc1,C1CCOC1,445.0
CC(C)[Si](C#Cc1c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)sc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2cc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)sc12)(C(C)C)C(C)C,C1CCOC1,476.0
CC(C)[Si](C#Cc1c2cc3ccccc3cc2c(C#Cc2ccc(Br)cc2)c2cc3ccccc3cc12)(C(C)C)C(C)C,ClCCl,654.0
CC(C)[Si](C#Cc1c2cc3ccccc3cc2c(C#Cc2ccc(C(F)(F)F)cc2)c2cc3ccccc3cc12)(C(C)C)C(C)C,ClCCl,654.0
CC(C)[Si](C#Cc1c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc12)(C(C)C)C(C)C,C1CCOC1,500.0
CC(C)[Si](C#Cc1c2nsnc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3c4ccccc4c(=O)c4ccccc4c3nc12)(C(C)C)C(C)C,ClCCl,561.0
CC(C)[Si](C#Cc1ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3c4ccccc4c(=O)c4ccccc4c3nc12)(C(C)C)C(C)C,ClCCl,379.0
CC(C)[Si](C#Cc1ccc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)cc3c4cc(C#C[Si](C(C)C)(C(C)C)C(C)C)ccc4c(C#C[Si](C(C)C)(C(C)C)C(C)C)cc3c2c1)(C(C)C)C(C)C,ClCCl,394.0
CC(C)c1ccc2ccc3c(C(C)C)cc(C=O)c4ccc1c2c43,CO,405.0
CC(C)c1ccc2ccc3c(C(C)C)cc(C=O)c4ccc1c2c43,ClCCl,410.0
CC(C)c1ccc2sc3ccccc3c(=O)c2c1,CC(C)O,382.3
CC(C)c1cccc(C(C)C)c1N1B(c2ccccc2)N(c2c(C(C)C)cccc2C(C)C)C(c2ccc(C(F)(F)F)cc2)=C1c1ccc(C(F)(F)F)cc1,C1CCOC1,346.0
CC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)B1c1ccccc1,C1CCOC1,280.0
CC(C)n1c(=O)c2cc3ccc4cccc5ccc(c2c1=O)c3c45,ClC(Cl)Cl,427.0
CC(C)n1nc(C#CC(=O)c2ccc3cc(N(C)C)ccc3c2)c2c(N)ncnc21,CC#N,424.0
CC(C)n1nc(C#CC(=O)c2ccc3cc(N(C)C)ccc3c2)c2c(N)ncnc21,Cc1ccccc1,422.0
CC(C)n1nc(C#CC(=O)c2ccc3cc(N(C)C)ccc3c2)c2c(N)ncnc21,O,482.0
CC(CO)N1Cc2c(-c3cccs3)c3cc(C#N)ccn3c2C1=O,ClCCl,398.0
CC(NC(=O)OC(C)(C)C)C(=O)OCc1ccc2c3cccc4cccc(c5cccc1c52)c43,CCO,437.0
CC(c1ccc(OCCCn2c3ccccc3c3cc(C=C(C#N)C(=O)O)ccc32)cc1)(c1ccc(OCCCn2c3ccccc3c3cc(/C=C(/C#N)C(=O)O)ccc32)cc1)c1ccc(OCCCn2c3ccccc3c3cc(/C=C(/C#N)C(=O)O)ccc32)cc1,CN(C)C=O,350.0
CC/[NH+]=c1\cc2oc3cc(NCCO)c4ccccc4c3nc-2cc1C,CCO,590.0
CC/[NH+]=c1\cc2oc3cc(NCCO)c4ccccc4c3nc-2cc1C,O,590.0
CC1(C)/C(=C\C2C(=O)C(O)=C2[O-])N(CCC(=O)O)c2ccc3ccccc3c21,CCO,443.0
CC1(C)C(/C=C/C2=C(Oc3ccc(CCN=C=S)cc3Br)/C(=C/C=C3/N(CCCS(=O)(=O)[O-])c4ccccc4C3(C)C)CCC2)=[N+](CCCS(=O)(=O)[O-])c2ccccc21,CO,768.0
CC1(C)C(/C=C/C=C/C=C/C=C2/N(CCCCCC(=O)O)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](CCCCCC(=O)O)c2ccc(S(=O)(=O)[O-])cc21,CO,753.0
CC1(C)C(/C=C/C=C/C=C/C=C2/N(CCCCCC(=O)O)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](CCCCCC(=O)O)c2ccc(S(=O)(=O)[O-])cc21,O,748.0
CC1(C)C(/C=C/C=C/C=C/C=C2/N(c3ccc(S(=O)(=O)[O-])cc3)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](c2ccc(S(=O)(=O)[O-])cc2)c2ccc(S(=O)(=O)[O-])cc21,CO,759.0
CC1(C)C(/C=C/C=C/C=C/C=C2/N(c3ccc(S(=O)(=O)[O-])cc3)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](c2ccc(S(=O)(=O)[O-])cc2)c2ccc(S(=O)(=O)[O-])cc21,O,754.0
CC1(C)C(/C=C/c2cc3ccc(O)cc3oc2=O)=[N+](CCCS(=O)(=O)[O-])c2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3c21,CCO,643.0
CC1(C)C(/C=C/c2cc3ccc(O)cc3oc2=O)=[N+](CCCS(=O)(=O)[O-])c2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3c21,CS(C)=O,495.0
CC1(C)C(/C=C/c2cc3ccc(O)cc3oc2=O)=[N+](CCCS(=O)(=O)[O-])c2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3c21,O,578.0
CC1(C)C(=O)C=Cc2ccc(O)cc21,O,341.0
CC1(C)C2=C(C=CC=CC=C(C#N)C#N)CCCN2c2ccccc21,CCCCCC,636.0
CC1(C)C2=C(Cl)C(=O)C(Cl)=CC2=Nc2ccc(O)cc21,O,653.0
CC1(C)C2=CC(=[NH2+])C=CC2=C(c2ccccc2C(=O)[O-])c2ccc(N)cc21,O,552.0
CC1(C)C=C(CS(=O)(=O)[O-])c2cc3cc(-c4cc[n+](CCCCCC(=O)O)cc4)c(=O)oc3cc2N1CCCS(=O)(=O)[O-],O,510.0
CC1(C)CC(/C=C/c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)=C/C(=C(/C#N)C(=O)O)C1,ClC(Cl)Cl,508.0
CC1(C)CC(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)=C/C(=C(/C#N)C(=O)O)C1,ClC(Cl)Cl,487.0
CC1(C)CC(=O)C2=C(C1)Oc1ccc3ccc(OCCCNCCCNc4ccnc5cc(Cl)ccc45)cc3c1C2c1ccc(Cl)cc1,CO,334.0
CC1(C)CC(=O)c2ccccc2N1,CCO,383.0
CC1(C)OB(c2cc3ccc4cccc5ccc(c2)c3c45)OC1(C)C,Cc1ccccc1,385.0
CC1(C)Oc2c(c3nc4ccccc4nc3c3ccccc23)CC1Br,C1CCCCC1,423.0118443
CC1(C)Oc2c(c3nc4ccccc4nc3c3ccccc23)CC1Br,C1CCOC1,426.9854825
CC1(C)Oc2c(c3nc4ccccc4nc3c3ccccc23)CC1Br,C1COCCO1,424.9893753
CC1(C)Oc2c(c3nc4ccccc4nc3c3ccccc23)CC1Br,CC#N,423.0118443
CC1(C)Oc2c(c3nc4ccccc4nc3c3ccccc23)CC1Br,CC(C)O,423.0118443
CC1(C)Oc2c(c3nc4ccccc4nc3c3ccccc23)CC1Br,CCCCCC,422.1190376
CC1(C)Oc2c(c3nc4ccccc4nc3c3ccccc23)CC1Br,CN(C)C=O,423.0118443
CC1(C)Oc2c(c3nc4ccccc4nc3c3ccccc23)CC1Br,CO,424.9893753
CC1(C)Oc2c(c3nc4ccccc4nc3c3ccccc23)CC1Br,ClC(Cl)Cl,426.9854825
CC1(C)Oc2c(c3nc4ccccc4nc3c3ccccc23)CC1Br,c1ccccc1,423.0118443
CC1(C)c2cc(-c3c4ccccc4c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c4ccccc34)ccc2-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc21,ClCCl,450.0
CC1(C)c2cc(/C=C/c3nc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(N(c6ccccc6)c6ccc7ccccc7c6)ccc4-5)nc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(N(c6ccccc6)c6ccc7ccccc7c6)ccc4-5)n3)ccc2-c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc21,C1CCOC1,403.0
CC1(C)c2cc(Br)ccc2-c2cc3c(C#C[Si](C)(C)C)c4ccccc4c(C#C[Si](C)(C)C)c3cc21,ClCCl,456.0
CC1(C)c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2Oc2c(N3c4ccccc4Sc4ccccc43)cccc21,Cc1ccccc1,310.0
CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc5sc(-c6ccc(C=C(C#N)C(=O)O)c(F)c6)cc5s4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21,C1CCOC1,422.0
CC1(C)c2ccccc2-c2ccc(N(c3ccc(/C=N/N(c4ccccc4)c4ccc(/C=C5\SC(=S)N(CC(=O)O)C5=O)cc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21,ClC(Cl)Cl,499.0
CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccc(C=C(C#N)C(=O)O)cc5)ccc3-4)cc21,CCO,410.0
CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4cc(-c5ccc(/C=C(\C#N)C(=O)O)s5)oc4c3)cc21,CCO,463.0
CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3cc(-c5cc6ccccc6c6c5oc5ccccc56)ccc3-4)cc21,C1CCOC1,382.0
CC1(C)c2ccccc2N(c2cc[n+]3c(c2)-c2ccccc2O[B-]3(F)F)c2ccccc21,Cc1ccccc1,358.0
CC1(C)c2ccccc2N(c2ccc(-c3n[n+]4c(o3)-c3ccccc3O[B-]4(F)F)cc2)c2ccccc21,C1COCCO1,361.0
CC1(C)c2ccccc2N(c2ccc(-c3n[n+]4c(o3)-c3ccccc3O[B-]4(F)F)cc2)c2ccccc21,CC(C)=O,360.0
CC1(C)c2ccccc2N(c2ccc(-c3n[n+]4c(o3)-c3ccccc3O[B-]4(F)F)cc2)c2ccccc21,CCN(CC)CC,362.0
CC1(C)c2ccccc2N(c2ccc(-c3n[n+]4c(o3)-c3ccccc3O[B-]4(F)F)cc2)c2ccccc21,CCO,361.0
CC1(C)c2ccccc2N(c2ccc(-c3n[n+]4c(o3)-c3ccccc3O[B-]4(F)F)cc2)c2ccccc21,CCOC(C)=O,361.0
CC1(C)c2ccccc2N(c2ccc(-c3n[n+]4c(o3)-c3ccccc3O[B-]4(F)F)cc2)c2ccccc21,CS(C)=O,362.0
CC1(C)c2ccccc2N(c2ccc(-c3n[n+]4c(o3)-c3ccccc3O[B-]4(F)F)cc2)c2ccccc21,Cc1ccccc1,364.0
CC1(C)c2ccccc2N(c2ccc(-c3n[n+]4c(o3)-c3ccccc3O[B-]4(F)F)cc2)c2ccccc21,ClC(Cl)Cl,367.0
CC1(C)c2ccccc2N(c2ccc(-c3n[n+]4c(o3)-c3ccccc3O[B-]4(F)F)cc2)c2ccccc21,ClCCCl,362.0
CC1(C)c2ccccc2N(c2ccc(-c3n[n+]4c(o3)-c3ccccc3O[B-]4(F)F)cc2)c2ccccc21,ClCCl,383.0
CC1(C)c2ccccc2N(c2ccc(-c3n[n+]4c(o3)-c3ccccc3O[B-]4(F)F)cc2)c2ccccc21,Clc1ccccc1,369.0
CC1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccccn4)n(-c4ccc(N5c6ccccc6C(C)(C)c6ccccc65)cc4)n3)cc2)c2ccccc21,ClCCl,375.0
CC1(C)c2ccccc2N(c2ccc(-c3nc4c(C#N)ccc(C#N)c4nc3-c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)cc2)c2ccccc21,Cc1ccccc1,479.0
CC1(C)c2ccccc2N(c2ccc3nc4c5ccc(N6c7ccccc7C(C)(C)c7ccccc76)cc5c5cc(N6c7ccccc7C(C)(C)c7ccccc76)ccc5c4nc3c2)c2ccccc21,Cc1ccccc1,456.0
CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)s3)cc21,C1CCOC1,486.0
CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3cccc(-c4nc(-c5ccccc5)c(-c5ccccc5)n4-c4ccccc4)c3)cc21,C1CCOC1,311.0
CC1(C)c2ccccc2N(c2ccccc2)c2ccc(C(=O)c3ccc4c(c3)C(C)(C)c3ccccc3N4c3ccccc3)cc21,Cc1ccccc1,371.5719064
CC1=C(c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)cc2)S[C@]2(C)C1=C1C(=C3c4ccccc4C(C)[C@]32C)C(F)(F)C(F)(F)C1(F)F,C1CCOC1,589.0
CC1=C(c2ccccc2)Oc2cc3nc4ccccc4nc3c3cccc1c23,ClCCl,495.0
CC1=CC(C)(C)N(C)c2cc3c(cc21)C(c1ccccc1C)=c1cc2c(cc1[Si]3(C)C)=[N+](C)C(C)(C)C=C2C,O,712.0
CC1=CC(C)(C)Nc2ccc3c(-c4ccc(-c5ccccc5)cc4)c4ccc(=[NH2+])cc-4oc3c21,O,540.0
CC1=CC(C)(C)Nc2ccc3c(-c4ccc(CN5CCCCC5)cc4)c4ccc(=[NH2+])cc-4n(C)c3c21,O,500.0
CC1=CC(C)(C)Nc2ccc3c(-c4ccc5c(c4)OCO5)c4ccc(=[NH2+])cc-4oc3c21,O,535.0
CC1=CC(C)=[N+]2C1=C(c1c(F)c(F)c(NCCNP(=O)(OC(C)C)OC(C)C)c(F)c1F)c1c(C)cc(C)n1[B-]2(F)F,C1CCOC1,515.0
CC1=CC(C)=[N+]2C1=C(c1c(F)c(F)c(NCCNP(=O)(OC(C)C)OC(C)C)c(F)c1F)c1c(C)cc(C)n1[B-]2(F)F,CC#N,509.0
CC1=CC(C)=[N+]2C1=C(c1c(F)c(F)c(NCCNP(=O)(OC(C)C)OC(C)C)c(F)c1F)c1c(C)cc(C)n1[B-]2(F)F,CCCCCC,514.0
CC1=CC(C)=[N+]2C1=C(c1c(F)c(F)c(NCCNP(=O)(OC(C)C)OC(C)C)c(F)c1F)c1c(C)cc(C)n1[B-]2(F)F,CCOC(C)=O,512.0
CC1=CC(C)=[N+]2C1=C(c1c(F)c(F)c(NCCNP(=O)(OC(C)C)OC(C)C)c(F)c1F)c1c(C)cc(C)n1[B-]2(F)F,CO,512.0
CC1=CC(C)=[N+]2C1=C(c1ccc(C(=O)O)cc1)c1c(C)cc(C)n1[B-]2(F)F,ClCCl,503.0
CC1=CC(C)=[N+]2C1=C(c1ccc(I)cc1)c1c(C)cc(C)n1[B-]2(F)F,ClC(Cl)Cl,504.0
CC1=CC(C)=[N+]2C1=C(c1ccc(N3CCCCC3)cc1)c1c(C)cc(C)n1[B-]2(F)F,C1CCOC1,499.0
CC1=CC(C)=[N+]2C1=C(c1ccc(N3CCCCC3)cc1)c1c(C)cc(C)n1[B-]2(F)F,CC#N,496.0
CC1=CC(C)=[N+]2C1=C(c1ccc(N3CCCCC3)cc1)c1c(C)cc(C)n1[B-]2(F)F,CC(=O)C(C)(C)C,496.0
CC1=CC(C)=[N+]2C1=C(c1ccc(N3CCCCC3)cc1)c1c(C)cc(C)n1[B-]2(F)F,CC(C)=O,495.0
CC1=CC(C)=[N+]2C1=C(c1ccc(N3CCCCC3)cc1)c1c(C)cc(C)n1[B-]2(F)F,CCCCCC,500.0
CC1=CC(C)=[N+]2C1=C(c1ccc(N3CCCCC3)cc1)c1c(C)cc(C)n1[B-]2(F)F,CCOC(C)=O,498.0
CC1=CC(C)=[N+]2C1=C(c1ccc(N3CCCCC3)cc1)c1c(C)cc(C)n1[B-]2(F)F,CO,498.5
CC1=CC(C)=[N+]2C1=C(c1ccc(N3CCOCC3)cc1)c1c(C)cc(C)n1[B-]2(F)F,C1CCOC1,500.0
CC1=CC(C)=[N+]2C1=C(c1ccc(N3CCOCC3)cc1)c1c(C)cc(C)n1[B-]2(F)F,CC#N,496.0
CC1=CC(C)=[N+]2C1=C(c1ccc(N3CCOCC3)cc1)c1c(C)cc(C)n1[B-]2(F)F,CC(=O)C(C)(C)C,495.0
CC1=CC(C)=[N+]2C1=C(c1ccc(N3CCOCC3)cc1)c1c(C)cc(C)n1[B-]2(F)F,CC(C)=O,490.0
CC1=CC(C)=[N+]2C1=C(c1ccc(N3CCOCC3)cc1)c1c(C)cc(C)n1[B-]2(F)F,CCCCCC,498.0
CC1=CC(C)=[N+]2C1=C(c1ccc(N3CCOCC3)cc1)c1c(C)cc(C)n1[B-]2(F)F,CCOC(C)=O,498.0
CC1=CC(C)=[N+]2C1=C(c1ccc(N3CCOCC3)cc1)c1c(C)cc(C)n1[B-]2(F)F,CO,494.0
CC1=CC(C)=[N+]2C1=C(c1ccc3cccnc3n1)c1c(C)cc(C)n1[B-]2(F)F,CC#N,501.0
CC1=CC(C)=[N+]2C1=C(c1ccc3cccnc3n1)c1c(C)cc(C)n1[B-]2(F)F,CCCCCC,506.0
CC1=CC(C)=[N+]2C1=C(c1ccc3cccnc3n1)c1c(C)cc(C)n1[B-]2(F)F,CO,503.0
CC1=CC(C)=[N+]2C1=C(c1ccc3cccnc3n1)c1c(C)cc(C)n1[B-]2(F)F,ClC(Cl)Cl,509.0
CC1=CC(C)=[N+]2C1=C(c1ccc3cccnc3n1)c1c(C)cc(C)n1[B-]2(F)F,ClCCl,506.0
CC1=CC(C)=[N+]2C1=C(c1ccccc1)c1c(C)cc(/C=C/c3ccccc3)n1[B-]2(F)F,CC#N,560.0
CC1=CC(C)=[N+]2C1=Cc1ccc(/C=C/c3ccc(CCl)cc3)n1[B-]2(F)F,CO,560.0
CC1=CC(C)=[N+]2C1=Cc1ccc(/C=C/c3ccccc3)n1[B-]2(F)F,CO,560.0
CC1=CC(c2ccc3cc(N(C)C)ccc3c2)=[O+][B-](F)(F)O1,C1CCOC1,456.0
CC1=CC(c2ccc3cc(N(C)C)ccc3c2)=[O+][B-](F)(F)O1,CC#N,465.0
CC1=CC(c2ccc3cc(N(C)C)ccc3c2)=[O+][B-](F)(F)O1,CC(C)=O,460.0
CC1=CC(c2ccc3cc(N(C)C)ccc3c2)=[O+][B-](F)(F)O1,CS(C)=O,477.0
CC1=CC(c2ccc3cc(N(C)C)ccc3c2)=[O+][B-](F)(F)O1,Cc1ccccc1,455.0
CC1=CC(c2ccc3cc(N(C)C)ccc3c2)=[O+][B-](F)(F)O1,ClC(Cl)Cl,466.0
CC1=CC(c2ccc3cc(N(C)C)ccc3c2)=[O+][B-](F)(F)O1,ClCCl,469.0
CC1=N/C(=C\c2ccccc2N(C)C)C(=O)N1C,C1CCCCC1,395.0
CC1=N/C(=C\c2ccccc2N(C)C)C(=O)N1C,C1CCOC1,395.0
CC1=N/C(=C\c2ccccc2N(C)C)C(=O)N1C,CC#N,396.0
CC1=N/C(=C\c2ccccc2N(C)C)C(=O)N1C,CO,398.0
CC1=N/C(=C\c2ccccc2N(C)C)C(=O)N1C,CS(C)=O,398.0
CC1=N/C(=C\c2ccccc2N(C)C)C(=O)N1C,ClCCl,396.0
CC1=N/C(=C\c2ccccc2N(C)C)C(=O)N1C,O,346.0
CC1=[N+]2C(=C(c3ccc(N(C)C)cc3)c3ccc(C)n3[B-]2(F)F)C=C1,C1CCCCC1,508.0
CC1=[N+]2C(=C(c3ccc(N(C)C)cc3)c3ccc(C)n3[B-]2(F)F)C=C1,C1CCOC1,506.0
CC1=[N+]2C(=C(c3ccc(N(C)C)cc3)c3ccc(C)n3[B-]2(F)F)C=C1,CC#N,503.0
CC1=[N+]2C(=C(c3ccc(N(C)C)cc3)c3ccc(C)n3[B-]2(F)F)C=C1,CC(=O)C(C)(C)C,505.0
CC1=[N+]2C(=C(c3ccc(N(C)C)cc3)c3ccc(C)n3[B-]2(F)F)C=C1,CC(C)=O,504.0
CC1=[N+]2C(=C(c3ccc(N(C)C)cc3)c3ccc(C)n3[B-]2(F)F)C=C1,CCCCCC,507.0
CC1=[N+]2C(=C(c3ccc(N(C)C)cc3)c3ccc(C)n3[B-]2(F)F)C=C1,CCOC(C)=O,504.5
CC1=[N+]2C(=C(c3ccc(N(C)C)cc3)c3ccc(C)n3[B-]2(F)F)C=C1,CO,503.5
CC1=[N+]2C(=C(c3ccc(N(C)C)cc3)c3ccc(C)n3[B-]2(F)F)C=C1,Cc1ccccc1,509.0
CC1=[N+]2C(=C(c3ccc(N(C)C)cc3)c3ccc(C)n3[B-]2(F)F)C=C1,ClC(Cl)Cl,509.0
CC1CC(C)(C)N(C)c2cc(CCC(=O)O)c(/C=C/C3=C/C(=C(/C#N)C(=O)O)CC(C)(C)C3)cc21,ClCCl,485.0
CC1CC(C)(C)N(C)c2ccc(-c3cc4sc5cc(/C=C(\C#N)C(=O)O)sc5c4s3)cc21,CCO,444.0
CC1CC(C)(C)N(C)c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc21,CCO,441.0
CC1CC(C)(C)N(C)c2ccc(/C=C/C3=C/C(=C(\C#N)C(=O)O)CC(C)(C)C3)cc21,ClCCl,514.0
CC1CC(C)(C)N(C)c2ccc(/C=C/C3=C/C(=C(\C#N)C(=O)O)c4ccccc4O3)cc21,CCO,431.0
CC1CC=C(c2ccc(-c3ccc(C=O)s3)s2)CC1,C1CCOC1,387.0
CC1CC=C(c2ccc(-c3ccc(C=O)s3)s2)CC1,CC#N,387.0
CC1CC=C(c2ccc(-c3ccc(C=O)s3)s2)CC1,CCO,390.0
CC1CC=C(c2ccc(-c3ccc(C=O)s3)s2)CC1,OCCOCCO,394.0
CC1CC=C(c2ccc(-c3ccc(C=O)s3)s2)CC1,c1ccncc1,395.0
CC1N=c2c(cc3c(c2S(=O)(=O)O)Oc2c(cc4c(c2S(=O)(=O)O)NC(C)C4(C)C)C=3c2ccc(C(=O)O)cc2)C1(C)C,O,534.0
CC1c2cc(C=C(C#N)c3cccs3)ccc2-c2ccc(C=C(C#N)c3cccs3)cc21,CS(C)=O,291.0
CC1c2ccccc2-c2cc3[nH]c(-c4c(F)cccc4F)nc3cc21,CS(C)=O,341.0
CC1c2ccccc2-c2cc3nc4c5ccccc5c5ccccc5c4nc3cc21,CS(C)=O,389.0
CCC/N=C/c1cc2ccc(N(C)C)cc2cc1OC,C1CCOC1,369.0
CCC/N=C/c1cc2ccc(N(C)C)cc2cc1OC,CC#N,369.0
CCC/N=C/c1cc2ccc(N(C)C)cc2cc1OC,CC(C)O,450.0
CCC/N=C/c1cc2ccc(N(C)C)cc2cc1OC,CCOC(C)=O,369.0
CCC/N=C/c1cc2ccc(N(C)C)cc2cc1OC,CN(C)C=O,374.0
CCC/N=C/c1cc2ccc(N(C)C)cc2cc1OC,CS(C)=O,376.0
CCC/N=C/c1cc2ccc(N(C)C)cc2cc1OC,Cc1ccccc1,369.0
CCC/N=C/c1cc2ccc(N(C)C)cc2cc1OC,ClCCl,368.0
CCC/N=C/c1cc2ccc(N(C)C)cc2cc1OC,O,438.0
CCC1(CC)c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2-c2ccc(N(c3ccc(C=C4c5ccccc5-c5ccccc54)cc3)c3ccc(C=C4c5ccccc5-c5ccccc54)cc3)cc21,ClCCl,437.0
CCC1(CC)c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2-c2ccc(-c3ccc(-c4ccc5c(c4)C(CC)(CC)c4cc(N(c6ccccc6)c6cccc7ccccc67)ccc4-5)s3)cc21,C1CCOC1,423.0
CCC1(CC)c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2-c2ccc(N(c3ccc(C=C4c5ccccc5-c5ccccc54)cc3)c3ccc(C=C4c5ccccc5-c5ccccc54)cc3)cc21,ClCCl,439.0
CCC1(CC)c2cc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C(CC)(CC)c5cc(N7c8ccccc8C(C)(C)c8ccccc87)ccc5-6)cc4)c4ccc(-c5ccc6c(c5)C(CC)(CC)c5cc(N7c8ccccc8C(C)(C)c8ccccc87)ccc5-6)cc4)cc3)ccc2-c2ccc(N3c4ccccc4C(C)(C)c4ccccc43)cc21,ClC(Cl)Cl,366.0
CCC1(CC)c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(-c3ccc(/C=C(/C#N)C(=O)O)s3)cc21,ClC(Cl)Cl,457.0
CCC1(CC)c2cc(/C=C(\C#N)C(=O)O)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21,ClCCl,409.0
CCC1(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-c2ccc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)cc21,C1CCOC1,371.0
CCC1(CC)c2ccc(N(c3ccccc3)c3ccccc3)cc2-c2c1c1c(c3c2C(CC)(CC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)C(CC)(CC)c2ccc(C=C(C#N)C(=O)O)cc2-1,C1CCOC1,383.0
CCC1(CC)c2ccccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(B(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)ccc2-3)C(CC)(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-1,C1CCOC1,364.0
CCC1(CC)c2ccccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(B(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)ccc2-3)C(CC)(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-1,CC#N,359.0
CCC1(CC)c2ccccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(B(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)ccc2-3)C(CC)(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-1,CC(C)=O,360.0
CCC1(CC)c2ccccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(B(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)ccc2-3)C(CC)(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-1,CCCCCC,362.0
CCC1(CC)c2ccccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(B(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)ccc2-3)C(CC)(CC)c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)ccc2-1,ClC(Cl)Cl,362.0
CCC1(CC)c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5ccc(-c6ccc7c(c6)C(CC)(CC)c6ccccc6-7)cc5)nc(-c5ccc(-c6ccc7c(c6)C(CC)(CC)c6ccccc6-7)cc5)n4)cc3)cc21,C1CCOC1,356.0
CCC1=C(C)C2=C(/C=C/c3ccc(OC)cc3)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,ClCCl,529.0
CCC1=C(C)C2=C(C)c3cc(I)c(I)n3[B-](F)(F)[N+]2=C1C,C1CCCCC1,532.0
CCC1=C(C)C2=C(C)c3cc(I)c(I)n3[B-](F)(F)[N+]2=C1C,CC(C)=O,515.5
CCC1=C(C)C2=C(C)c3cc(I)c(I)n3[B-](F)(F)[N+]2=C1C,CCO,520.0
CCC1=C(C)C2=C(C)c3cc(I)c(I)n3[B-](F)(F)[N+]2=C1C,CCOC(C)=O,518.5
CCC1=C(C)C2=C(C)c3cc(I)c(I)n3[B-](F)(F)[N+]2=C1C,CO,518.0
CCC1=C(C)C2=C(C)c3cc(I)c(I)n3[B-](F)(F)[N+]2=C1C,OCC(F)(F)F,511.5
CCC1=C(C)C2=C(c3c4ccccc4cc4ccccc34)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CC#N,527.0
CCC1=C(C)C2=C(c3c4ccccc4cc4ccccc34)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CCCCCC,530.0
CCC1=C(C)C2=C(c3c4ccccc4cc4ccccc34)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CCO,528.0
CCC1=C(C)C2=C(c3c4ccccc4cc4ccccc34)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,CN(C)C=O,530.0
CCC1=C(C)C2=C(c3c4ccccc4cc4ccccc34)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,Cc1ccccc1,533.0
CCC1=C(C)C2=C(c3c4ccccc4cc4ccccc34)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C,ClCCl,531.0
CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](c3ccc(OC)cc3)(Oc3ccccc3-4)[N+]2=C1C,CC#N,621.0
CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](c3ccc(OC)cc3)(Oc3ccccc3-4)[N+]2=C1C,CCCCCC,625.0
CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](c3ccc(OC)cc3)(Oc3ccccc3-4)[N+]2=C1C,Cc1ccccc1,629.0
CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](c3ccc(OC)cc3)(Oc3ccccc3-4)[N+]2=C1C,ClCCl,627.0
CCC1=C(C)C2=Cc3cc(I)c(I)n3[B-](F)(F)[N+]2=C1C,C1CCCCC1,542.0
CCC1=C(C)C2=Cc3cc(I)c(I)n3[B-](F)(F)[N+]2=C1C,CC(C)=O,524.5
CCC1=C(C)C2=Cc3cc(I)c(I)n3[B-](F)(F)[N+]2=C1C,CCO,529.0
CCC1=C(C)C2=Cc3cc(I)c(I)n3[B-](F)(F)[N+]2=C1C,CCOC(C)=O,528.0
CCC1=C(C)C2=Cc3cc(I)c(I)n3[B-](F)(F)[N+]2=C1C,CO,526.5
CCC1=C(C)C2=Cc3cc(I)c(I)n3[B-](F)(F)[N+]2=C1C,OCC(F)(F)F,520.0
CCC1=C(C2=C(C3=C(CC)S(=O)(=O)c4cc(-c5ccc(CO)cc5)ccc43)C(F)(F)C(F)(F)C2(F)F)c2ccc(-c3ccc(CO)cc3)cc2S1(=O)=O,C1COCCO1,340.0
CCC1=[N+]2C(=C3c4ccc(CC)n4[B-](F)(F)[n+]4c3n(c3cc(F)ccc34)[B-]2(F)F)C=C1,ClCCl,600.0
CCCC1(CCC)c2cc(-c3ccc(-c4ccccc4)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccc(-c6ccccc6)cc5)ccc3-4)cc21,Cc1ccccc1,357.0
CCCC1(CCC)c2cc(-c3ccc(OC)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccc(OC)cc5)ccc3-4)cc21,C1CCCCC1,350.0
CCCC1(CCC)c2cc(-c3ccco3)ccc2-c2ccc(-c3ccco3)cc21,C1CCCCC1,364.0
CCCC1(CCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccc6c(c5)C(CCC)(CCC)c5cc(-c7ccc8c(c7)C(CCC)(CCC)c7ccccc7-8)ccc5-6)ccc3-4)cc21,C1CCCCC1,360.0
CCCC1(CCC)c2ccccc2-c2ccc(N3c4ccccc4Sc4ccc(/C=C5/SC(=S)N(CC(=O)O)C5=O)cc43)cc21,ClCCl,497.0
CCCC1=Cc2nc1ccc1[nH]c(c3nc(ccc4[nH]c2cc4CCC)C(CCC)=C3)c(CN(C)C)c1CCC,Cc1ccccc1,643.0
CCCC1=Cc2nc1ccc1[nH]c(cc1CCC)c1nc(c(N)cc3[nH]c2cc3CCC)C(CCC)=C1,Cc1ccccc1,710.0
CCCC1=Cc2nc1ccc1[nH]c(cc1CCC)c1nc(c(OC)cc3[nH]c2cc3CCC)C(CCC)=C1,Cc1ccccc1,682.0
CCCC1=Cc2nc1ccc1[nH]c(cc1CCC)c1nc(c3ccccc3c3[nH]c2cc3CCC)C(CCC)=C1,Cc1ccccc1,762.0
CCCC1=Cc2nc1ccc1[nH]c(cc1CCC)c1nc(ccc3[nH]c2cc3CCC)C(CCC)=C1,Cc1ccccc1,667.0
CCCCC(=O)C=O,CCCO,498.0
CCCCC(CC)C(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1,CS(C)=O,428.0
CCCCC(CC)CN(CC(CC)CCCC)c1ccc(-c2ccc(-c3ccc(C=C(C#N)C(=O)O)o3)c3nc4c(nc23)-c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccccc2-4)cc1,ClCCl,545.0
CCCCC(CC)CN1C(=O)/C(=C2/C(=O)N(CC(CC)CCCC)c3cc(-c4ccc(/C=C(\C#N)C(=O)O)o4)ccc32)c2ccc(-c3ccc4c(c3)C3CCCC3N4c3ccc(C)cc3)cc21,ClCCl,579.0
CCCCC(CC)CN1C(=O)C2=C(c3ccc(-c4cc5c6c7c4cccc7c4cccc7ccc(c6c74)n5CC(CC)CCCC)cc3)N(CC(CC)CCCC)C(=O)C2=C1c1ccc(-c2ccc(/C=C(/C#N)C(=O)O)s2)cc1,ClC(Cl)Cl,522.0
CCCCC(CC)CN1C(=O)C2=C(c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)s3)N(CC(CC)CCCC)C(=O)C2=C1c1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)s1,ClCCl,636.0
CCCCC(CC)CN1C(=O)c2c(-c3ccc(C=C(C#N)C(=O)O)s3)sc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)c2C1=O,C1CCOC1,487.0
CCCCC(CC)CN1C(=O)c2ccc3c4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc5c6c(ccc(c7c(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)cc(c2c37)C1=O)c64)C(=O)N(CC(CC)CCCC)C5=O,ClC(Cl)Cl,577.0
CCCCC(CC)CN1c2ccc(-c3ccc4c5nc6ccccc6nc5n(CC(CC)CCCC)c4c3)cc2Sc2ccc(-c3ccc(C=C(C#N)C(=O)O)o3)cc21,ClCCl,456.0
CCCCC(CC)COc1cc2c(cc1OCC(CC)CCCC)c1c3sc(-c4ccc5c(c4)c4ccccc4n5CC(CC)CCCC)cc3sc1c1sc3cc(/C=C(\C#N)C(=O)O)sc3c21,C1CCOC1,486.0
CCCCC(CC)COc1ccc(-c2c3cccc4c(-c5ccc(/C=C(\C#N)C(=O)O)s5)cc5c(-c6ccc(OCC(CC)CCCC)cc6)c6cccc7c(-c8ccc(/C=C(\C#N)C(=O)O)s8)cc2c(c76)c5c43)cc1,C1CCOC1,463.0
CCCCC(CC)COc1ccc(-c2cc3ccc(C=Cc4ccc(C(=O)O)cc4)c4cc(-c5ccc(OCC(CC)CCCC)cc5)c5ccc2n5c34)cc1,ClC(Cl)Cl,480.0
CCCCC(CC)COc1ccc(N(c2ccc(OCC(CC)CCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccc(/C=C(\C#N)C(=O)O)s5)cc3C43OCCO3)cc2)cc1,CN(C)C=O,488.0
CCCCC(CC)COc1ccc(N(c2ccc(OCC(CC)CCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(C=C(C#N)C(=O)O)cc3[Si]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,Clc1ccccc1,506.0
CCCCC(CC)COc1ccc2nc(-c3ccc(-c4c(C)noc4C)s3)sc2c1,ClCCl,359.0
CCCCC(CC)Cc1cc(/C=C(\C#N)C(=O)O)sc1-c1sc(-c2sc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2CC(CC)CCCC)c2nccnc12,Cc1ccccc1,596.0
CCCCC(CC)Cn1c2cc(-c3ccc(/C=C(\C#N)C(=O)O)o3)ccc2c2nc3c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3nc21,ClCCl,438.0
CCCCC(CC)Cn1c2cc(-n3c4ccccc4c4ccccc43)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21,C1CCOC1,345.0
CCCCC(CC)Cn1c2cc(C#N)ccc2c2ccc(C#Cc3ccc4ccc5ccc(C#Cc6ccc7c8ccc(C#N)cc8n(CC(CC)CCCC)c7c6)c6ccc3c4c56)cc21,ClCCl,447.0
CCCCC(CC)Cn1c2cc(C#N)ccc2c2ccc(C#N)cc21,ClCCl,387.0
CCCCC(CC)Cn1c2ccc(-c3ccc(-c4ccc(/C=C(/C#N)C(=O)O)cc4)s3)cc2c2ccc3ccccc3c21,C1CCOC1,427.0
CCCCC(CC)Cn1c2ccccc2c2c(-c3ccc(-c4ccc(/C=C(/C#N)C(=O)O)s4)cc3)c3c(c(-c4ccc(Br)cc4)c21)c1ccccc1n3CC(CC)CCCC,ClCCl,420.0
CCCCC(CC)Cn1nc2c3cc(-c4ccc5c6ccccc6n(CC(CC)CCCC)c5c4)sc3c3sc(-c4ccc(/C=C(/C#N)C(=O)O)s4)cc3c2n1,C1CCOC1,470.0
CCCCC1(CCCC)c2cc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)ccc2-c2ccc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)cc21,C1CCOC1,438.0
CCCCC1(CCCC)c2cc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)ccc2-c2ccc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)cc21,CC(C)=O,435.0
CCCCC1(CCCC)c2cc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)ccc2-c2ccc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)cc21,CCCCCC,418.0
CCCCC1(CCCC)c2cc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)ccc2-c2ccc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)cc21,CS(C)=O,445.0
CCCCC1(CCCC)c2cc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)ccc2-c2ccc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)cc21,Cc1ccccc1,437.0
CCCCC1(CCCC)c2cc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)ccc2-c2ccc(-c3ccc(C=C4C(=O)c5ccccc5C4=O)cc3)cc21,ClC(Cl)Cl,445.0
CCCCC1(CCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(=O)c3cc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)ccc3-4)cc21,C1CCOC1,398.0
CCCCC1(CCCC)c2ccccc2-c2ccc(-n3c4cc(/C=C(\C#N)C(=O)O)sc4c4sc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc43)cc21,C1CCOC1,495.0
CCCCC1(CCCC)c2ccccc2-c2ccc(-n3c4ccsc4c4sc(/C=C(/C#N)C(=O)O)cc43)cc21,C1CCOC1,431.0
CCCCC1(c2ccccc2)Nc2c(-c3ccc(N(C)C)cc3)ccc(-c3ccc(N(C)C)cc3)c2N=C1c1ccccc1,ClC(Cl)Cl,371.0
CCCCC1=C(CCCC)c2ccccc2B2Nc3ccccc3C=C21,ClCCl,386.0
CCCCC1C(=O)c2cc(Oc3ccc(C(C)(C)C)cc3)c3c4c(Oc5ccc(C(C)(C)C)cc5)cc5c6c(cc(Oc7ccc(C(C)(C)C)cc7)c(c7c(Oc8ccc(C(C)(C)C)cc8)cc(c2c37)C1=O)c64)C1=C(C5=O)c2ccc3ccccc3[n+]2[B-](F)(F)O1,ClCCl,616.0
CCCCCC1=C2C(C)=C(c3ccc(N(c4ccccc4)c4ccccc4)cc3)C(C)=[N+]2[B-](F)(F)n2c(C)c(-c3ccc(/C=C(\C#N)C(=O)O)o3)c(C)c21,ClC(Cl)Cl,556.0
CCCCCCC(CCCC)COc1ccc(N(c2ccc(OCC(CCCC)CCCCCC)cc2)c2ccc3c4ccc(C#Cc5ccc(-c6ccc(C(=O)O)cc6)c6cscc56)c5cccc(c6cccc2c63)c54)cc1,C1CCOC1,541.0
CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(-c5ccc(OC)cc5)cc4)ccc(c23)C1=O,CCCCCC,354.0
CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(-c5ccc(OC)cc5)cc4)ccc(c23)C1=O,CCCCCCCCCCCCCC,357.6
CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(-c5ccc(OC)cc5)cc4)ccc(c23)C1=O,CCCCCCCCCCCO,369.4
CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(-c5ccc(OC)cc5)cc4)ccc(c23)C1=O,CCCCO,366.0
CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(-c5ccc(OC)cc5)cc4)ccc(c23)C1=O,CN(C)C=O,369.0
CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(-c5ccc(OC)cc5)cc4)ccc(c23)C1=O,Cc1ccccc1,364.8
CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(-c5ccc(OC)cc5)cc4)ccc(c23)C1=O,ClC(Cl)Cl,364.4
CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(OC)c5ccccc45)ccc(c23)C1=O,CCCCCC,322.6
CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(OC)c5ccccc45)ccc(c23)C1=O,CCCCCCCCCCCCCC,322.6
CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(OC)c5ccccc45)ccc(c23)C1=O,CCCCCCCCCCCO,323.8
CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(OC)c5ccccc45)ccc(c23)C1=O,CCCCO,323.6
CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(OC)c5ccccc45)ccc(c23)C1=O,CN(C)C=O,323.8
CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(OC)c5ccccc45)ccc(c23)C1=O,Cc1ccccc1,324.0
CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(OC)c5ccccc45)ccc(c23)C1=O,ClC(Cl)Cl,325.0
CCCCCCC1(CCCCCC)c2cc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc(-c7ccc(/C=C(\C#N)C(=O)O)s7)s6)s5)cc4)c4ccc(-c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5cc(-n7c8ccc(C(C)(C)C)cc8c8cc(C(C)(C)C)ccc87)ccc5-6)s4)s3)ccc2-c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc21,ClCCl,451.0
CCCCCCC1(CCCCCC)c2cc(-c3nc(-c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4cc(N6c7ccccc7Oc7ccccc76)ccc4-5)nc(-c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4cc(N6c7ccccc7Oc7ccccc76)ccc4-5)n3)ccc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc21,C1CCOC1,391.0
CCCCCCC1(CCCCCC)c2cc(/C=C(/C#N)C(=O)O)sc2-c2sc(/C=C/c3cc4c5c(c3)C(C)(C)c3cc(C(C)(C)C)cc6c3N5c3c(cc(C(C)(C)C)cc3C6(C)C)C4(C)C)cc21,ClC(Cl)Cl,569.0
CCCCCCC1(CCCCCC)c2cc(C#Cc3ccc(C4=[N+]5C(=Nc6c(-c7ccccc7)cc(-c7ccc(C#Cc8ccc9c(c8)C(CCCCCC)(CCCCCC)c8cc([N+](=O)[O-])ccc8-9)cc7)n6[B-]5(F)F)C(c5ccccc5)=C4)cc3)ccc2-c2ccc([N+](=O)[O-])cc21,ClCCl,694.0
CCCCCCC1=C2C(C)=C(c3ccc(-c4nc(-c5ccc(OC)cc5)c(-c5ccc(OC)cc5)n4CC)s3)C(C)=[N+]2[B-](F)(F)n2c(C)c(C=C(C#N)C(=O)O)c(C)c21,ClC(Cl)Cl,531.0
CCCCCCCC(=O)Oc1ccc2c3cccc4c(OC(=O)CCCCCCC)ccc(c5cccc1c52)c43,C1CCOC1,445.0
CCCCCCCC(=O)Oc1ccc2c3cccc4c(OC(=O)CCCCCCC)ccc(c5cccc1c52)c43,Cc1ccccc1,448.0
CCCCCCCC(=O)Oc1ccc2c3cccc4c(OC(=O)CCCCCCC)ccc(c5cccc1c52)c43,ClC(Cl)(Cl)Cl,448.0
CCCCCCCC(=O)Oc1ccc2c3cccc4c(OC(=O)CCCCCCC)ccc(c5cccc1c52)c43,ClC(Cl)Cl,446.0
CCCCCCCC(=O)Oc1ccc2c3cccc4c(OC(=O)CCCCCCC)ccc(c5cccc1c52)c43,ClCCl,445.0
CCCCCCCC(=O)Oc1ccc2c3cccc4c(OC(=O)CCCCCCC)ccc(c5cccc1c52)c43,c1ccncc1,449.0
CCCCCCCCC(CCCCCC)Cn1c2cc(-c3ccc(-c4ccc(C(=O)O)cc4)c4nsnc34)c3cccc4c5cccc6c(N(c7ccc(OCCCCCC)cc7)c7ccc(OCCCCCC)cc7)cc1c(c65)c2c34,C1CCOC1,489.0
CCCCCCCCC(CCCCCC)Cn1c2cc(C=C(C#N)C(=O)O)c3cccc4c5cccc6c(N(c7ccc(OCCCCCC)cc7)c7ccc(OCCCCCC)cc7)cc1c(c65)c2c34,C1CCOC1,573.0
CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc4c(c3)C3CCCC3N4c3ccc(OC)cc3)ccc2-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc21,ClCCl,439.0
CCCCCCCCC1(CCCCCCCC)c2cc(/C=C(\C#N)C(=O)O)sc2-c2sc(-c3ccc(-c4ccc5c(c4)C4CCCC4N5c4ccc(C)cc4)c4nc5c6ccccc6c6ccccc6c5nc34)cc21,ClCCl,564.0
CCCCCCCCC1(CCCCCCCC)c2cc(C(=O)O)ccc2C(CC)=[N+]1C=C1C(=O)C(C=c2c3cccc4cccc(c43)n2CCCCCC)C1O,CCO,771.0
CCCCCCCCC1(CCCCCCCC)c2cc(C=O)ccc2-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,C1CCOC1,406.0
CCCCCCCCC1(CCCCCCCC)c2cc(C=O)ccc2-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,C1COCCO1,411.0
CCCCCCCCC1(CCCCCCCC)c2cc(C=O)ccc2-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,CC#N,406.0
CCCCCCCCC1(CCCCCCCC)c2cc(C=O)ccc2-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,CC(C)=O,409.0
CCCCCCCCC1(CCCCCCCC)c2cc(C=O)ccc2-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,CCCCCC,405.0
CCCCCCCCC1(CCCCCCCC)c2cc(C=O)ccc2-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,CCOC(C)=O,409.0
CCCCCCCCC1(CCCCCCCC)c2cc(C=O)ccc2-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,CN(C)C=O,410.0
CCCCCCCCC1(CCCCCCCC)c2cc(C=O)ccc2-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,CS(C)=O,408.0
CCCCCCCCC1(CCCCCCCC)c2cc(C=O)ccc2-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,Cc1ccccc1,411.0
CCCCCCCCC1(CCCCCCCC)c2cc(C=O)ccc2-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,ClC(Cl)Cl,409.0
CCCCCCCCC1(CCCCCCCC)c2cc(C=O)ccc2-c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,ClCCl,411.0
CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3nnc(-c4cccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)c4)o3)cc21,Cc1ccccc1,345.0
CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(/C=C/C3=[N+]4C(=C5c6ccc(/C=C/c7ccc8c(c7)C(CCCCCCCC)(CCCCCCCC)c7ccccc7-8)n6[B-](F)(F)[n+]6c5n(c5ccccc56)[B-]4(F)F)C=C3)cc21,ClCCl,803.0
CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(C#Cc3ccc(C#Cc4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4ccccc4-5)c4nsnc34)cc21,C1CCOC1,441.0
CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(C#Cc3ccc(C#Cc4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4ccccc4-5)c4nsnc34)cc21,C1COCCO1,438.0
CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(C#Cc3ccc(C#Cc4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4ccccc4-5)c4nsnc34)cc21,CC#N,431.0
CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(C#Cc3ccc(C#Cc4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4ccccc4-5)c4nsnc34)cc21,CC(C)=O,435.0
CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(C#Cc3ccc(C#Cc4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4ccccc4-5)c4nsnc34)cc21,CCCCCC,441.0
CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(C#Cc3ccc(C#Cc4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4ccccc4-5)c4nsnc34)cc21,CO,439.0
CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(C#Cc3ccc(C#Cc4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4ccccc4-5)c4nsnc34)cc21,Cc1ccccc1,441.0
CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(C#Cc3ccc4c(c3)Cc3cc(C#Cc5ccc6c(c5)C(CCCCCCCC)(CCCCCCCC)c5ccccc5-6)ccc3-4)cc21,C1CCOC1,372.0
CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(C#Cc3ccc4c(c3)Cc3cc(C#Cc5ccc6c(c5)C(CCCCCCCC)(CCCCCCCC)c5ccccc5-6)ccc3-4)cc21,C1COCCO1,372.0
CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(C#Cc3ccc4c(c3)Cc3cc(C#Cc5ccc6c(c5)C(CCCCCCCC)(CCCCCCCC)c5ccccc5-6)ccc3-4)cc21,CCCCCC,369.0
CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(C#Cc3ccc4c(c3)Cc3cc(C#Cc5ccc6c(c5)C(CCCCCCCC)(CCCCCCCC)c5ccccc5-6)ccc3-4)cc21,Cc1ccccc1,374.0
CCCCCCCCCCC1(CCCCCCCC)C(C=C2C(=O)C(C=C3N(C)c4ccc(C(=O)O)cc4C3(C)C)=C2[O-])=[N+](CCCCCC)c2ccccc21,ClCCl,644.0
CCCCCCCCCCCC(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1,CS(C)=O,414.0
CCCCCCCCCCCCCCCCCCOC(=O)/C=C/C1=CC2=C(c3c(C)cc(C)cc3C)c3cccn3[B-](F)(F)[N+]2=C1,ClCCl,538.0
CCCCCCCCCCCCCCCCCC[N+]1=C(/C=C2/C(=O)C(O)=C2[O-])C(C)(C)c2ccccc21,CCO,423.0
CCCCCCCCCCCCCN1/C(=C\C2C(=O)C(=Cc3cc(C(C)(C)C)[o+]c(C(C)(C)C)c3)C2[O-])C(C)(C)c2cc(C(=O)O)ccc21,ClC(Cl)Cl,688.0
CCCCCCCCCCCCN(CCCCCCCCCCCC)c1ccc2c3ccc4c5c(ccc(c6cccc1c62)c53)C(=O)OC4=O,CS(C)=O,566.0
CCCCCCCCCCCCN1/C(=C/c2c(O)c(=O)c2=O)C(C)(C)c2ccccc21,CC#N,421.0
CCCCCCCCCCCCN1C(=O)c2c(c3ccc4cc(-c5ccc(C)cc5)c(OC)cc4c3c3c2ccc2cc(-c4ccc(C)cc4)c(OC)cc23)C1=O,ClCCl,436.0
CCCCCCCCCCCCN1C(=O)c2c(c3ccc4cc(-c5ccc(C=O)cc5)c(OC)cc4c3c3c2ccc2cc(-c4ccc(C=O)cc4)c(OC)cc23)C1=O,ClCCl,428.0
CCCCCCCCCCCCN1C(=O)c2ccc3c4c(-c5ccncc5)cc5c6c(ccc(c7c(-c8ccncc8)cc(c2c37)C1=O)c64)C(=O)N(CCCCCCCCCCCC)C5=O,ClC(Cl)Cl,538.8961321164711
CCCCCCCCCCCCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCCCCCCCCCCC)C5=O,CN(C)C=O,523.0
CCCCCCCCCCCCOc1cc2cc(N(C)C)ccc2cc1C=O,C1CCOC1,381.0
CCCCCCCCCCCCOc1cc2cc(N(C)C)ccc2cc1C=O,CC#N,385.0
CCCCCCCCCCCCOc1cc2cc(N(C)C)ccc2cc1C=O,CCCCCC,369.0
CCCCCCCCCCCCOc1cc2cc(N(C)C)ccc2cc1C=O,CCO,390.0
CCCCCCCCCCCCOc1cc2cc(N(C)C)ccc2cc1C=O,CCOC(C)=O,380.0
CCCCCCCCCCCCOc1cc2cc(N(C)C)ccc2cc1C=O,CS(C)=O,392.0
CCCCCCCCCCCCOc1cc2cc(N(C)C)ccc2cc1C=O,ClCCl,386.0
CCCCCCCCCCCCOc1cc2cc(N(C)C)ccc2cc1C=O,O,390.0
CCCCCCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc2)cc1,CCO,460.0
CCCCCCCCCCCCOc1cccc(OCCCCCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2c(CCCCCC)cc(-c3ccc(C(=O)O)cc3)c3nsnc23)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc2c(c1)Sc1cc(-c4ccc(OCCCCCC)cc4)ccc1N2CCCCCC)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCCCCCC)cccc1OCCCCCCCCCCCC,C1CCOC1,683.0
CCCCCCCCCCCCOc1cccc(OCCCCCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2c(CCCCCCC)c(CCCCCCC)c(-c3ccc(C(=O)O)cc3)c3nsnc23)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc2c(c1)Sc1cc(-c4ccc(OCCCCCC)cc4)ccc1N2CCCCCC)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCCCCCC)cccc1OCCCCCCCCCCCC,C1CCOC1,675.0
CCCCCCCCCCCCOc1cccc(OCCCCCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2c3ccccc3c(C#Cc3ccc(N(C)C)cc3)c3ccccc23)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc(C(=O)O)cc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCCCCCC)cccc1OCCCCCCCCCCCC,C1CCOC1,690.0
CCCCCCCCCCCCOc1cccc(OCCCCCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(C(=O)O)cc2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc(N(C)C)cc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCCCCCC)cccc1OCCCCCCCCCCCC,C1CCOC1,667.0
CCCCCCCCCCCCn1c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2c2cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc21,ClCCl,433.0
CCCCCCCCCCCCn1c2ccc(/C=C(\C#N)C(=O)O)cc2c2cc(-c3ccc(-c4ccc5c6cc(/C=C(\C#N)C(=O)O)ccc6n(CCCCCCCCCCCC)c5c4)c4nsnc34)ccc21,CN(C)C=O,440.0
CCCCCCCCCCOC(=O)c1ccc2c3ccc(C(=O)OCCCCCCCCCC)c4c(C(=O)OCCCCCCCCCC)cc5[nH]c6cc(C(=O)OCCCCCCCCCC)c1c2c6c5c43,C1CCOC1,410.0
CCCCCCCCCCSC1=C(SCCCCCCCCCC)SC(=Cc2ccc(N(c3ccccc3)c3ccc(/C=C(/C#N)C(=O)O)cc3)cc2)S1,CO,418.0
CCCCCCCCCC[C@]1(CCCCCCCC)C(/C=C2/C(=O)C(/C=C3\N(C)c4ccc5cc(C(=O)O)ccc5c4C3(C)C)=C2[O-])=[N+](CCCCCC)c2cc3c(cc21)-c1ccccc1C3(CCCCCCCC)CCCCCCCC,ClCCl,681.0
CCCCCCCCCCc1ccc(-c2nc3c(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)c3nc2-c2ccc(CCCCCCCC)s2)s1,ClC(Cl)Cl,538.0
CCCCCCCCCCc1nc(-c2nc(CCCCCCCCC)c(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)sc1-c1ccc2c(c1)C(CCCC)(CCCC)c1ccccc1-2,C1CCOC1,427.0
CCCCCCCCCc1csc2cc(-c3cc(-c4cc5scc(CCCCCCCCC)c5s4)c4ccc5c(-c6cc7scc(CCCCCCCCC)c7s6)cc(-c6cc7scc(CCCCCCCCC)c7s6)c6ccc3c4c65)sc12,ClC(Cl)Cl,429.0
CCCCCCCCN1C(=O)C2=C(c3ccc(-c4sc(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)c5c4OCCO5)cc3)N(CCCCCCCC)C(=O)C2=C1c1ccc(-c2ccc(/C=C(/C#N)C(=O)O)s2)cc1,C1CCOC1,530.0
CCCCCCCCN1C(=O)C2=C(c3ccc(-c4sc(-c5ccc(N(c6ccc7c(c6)C(CCCCCC)(CCCCCC)c6ccccc6-7)c6ccc7c(c6)C(CCCCCC)(CCCCCC)c6ccccc6-7)cc5)c5c4OCCO5)s3)N(CCCCCCCC)C(=O)C2=C1c1ccc(-c2ccc(/C=C(/C#N)C(=O)O)s2)s1,ClCCl,727.0
CCCCCCCCN1C(=O)c2ccc3c4c(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc5c6c(ccc(c7c(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)cc(c2c37)C1=O)c64)C(=O)N(CCCCCCCC)C5=O,ClC(Cl)Cl,577.0
CCCCCCCCN1c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2Sc2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc21,ClCCl,460.0
CCCCCCCCN1c2ccc(-c3ccccc3)cc2Sc2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc21,C1CCOC1,441.0
CCCCCCCCN1c2ccc(C#Cc3ccc4ccc5cccc6ccc3c4c56)cc2Sc2cc(/C=C(\C#N)C(=O)O)ccc21,CC#N,438.0
CCCCCCCCOc1c(/C=C/c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc(-c2ccc(C3=C4C(=O)N(C[C@@H](CC)CCCC)C(c5ccc(-c6ccc(C(=O)O)cc6)s5)=C4C(=O)N3C[C@@H](CC)CCCC)s2)cc1/C=C/c1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1,ClC(Cl)Cl,610.0
CCCCCCCCOc1c(OCCCCCCCC)c(-c2ccc(N(c3ccccc3)c3ccccc3)s2)c2nsnc2c1-c1ccc(/C=C(/C#N)C(=O)O)cc1,ClCCl,483.0
CCCCCCCCOc1ccc(-c2c(-c3c(-c4ccc(OCCCCCCCC)cc4)n(CCCCCCCC)c4cc(-c5ccc(C=C(C#N)C(=O)O)o5)ccc34)c3cc(-c4ccc(C=C(C#N)C(=O)O)o4)ccc3n2CCCCCCCC)cc1,C1CCOC1,468.0
CCCCCCCCOc1ccc(-c2c(-c3c(-c4ccc(OCCCCCCCC)cc4)n(CCCCCCCC)c4ccc(-c5ccc(-c6ccc(/C=C(/C#N)C(=O)O)s6)s5)cc34)c3cc(-c4ccc(-c5ccc(/C=C(/C#N)C(=O)O)s5)s4)ccc3n2CCCCCCCC)cc1,C1CCOC1,484.0
CCCCCCCCOc1ccc(-c2ccc(C(=Cc3ccc(N4c5ccc(-c6ncc(-c7ccc(/C=C(\C#N)C(=O)O)s7)c7nc(-c8ccccc8)c(-c8ccccc8)nc67)cc5[C@@H]5CCC[C@@H]54)cc3)c3ccc(-c4ccc(OCCCCCCCC)cc4OCCCCCCCC)cc3)cc2)c(OCCCCCCCC)c1,ClCCl,557.0
CCCCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4cc5c(s4)-c4cc6c(cc4C5(c4ccc(CCCCCC)cc4)c4ccc(CCCCCC)cc4)-c4sc(-c5c(F)c(F)c(-c7ccc(C(=O)O)cc7)c7nsnc57)cc4C6(c4ccc(CCCCCC)cc4)c4ccc(CCCCCC)cc4)cc3)c3ccc(-c4ccc(OCCCCCCCC)cc4OCCCCCCCC)cc3)cc2)c(COCCCCCCC)c1,Cc1ccccc1,503.0
CCCCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4cc5c(s4)-c4cc6c(cc4C5(c4ccc(CCCCCC)cc4)c4ccc(CCCCCC)cc4)-c4sc(-c5ccc(-c7ccc(C(=O)O)cc7)cc5)cc4C6(c4ccc(CCCCCC)cc4)c4ccc(CCCCCC)cc4)cc3)c3ccc(-c4ccc(OCCCCCCCC)cc4OCCCCCCCC)cc3)cc2)c(COCCCCCCC)c1,Cc1ccccc1,441.0
CCCCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(OCCCCCCCC)cc4)cc3)c3ccc(-c4ccc(C#Cc5ccc(C(=O)O)cc5)c5nsnc45)cc3)cc2)cc1,C1CCOC1,479.0
CCCCCCCCOc1ccc(-n2c(-c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)cc3c2cc(-c2ccc(-c4ccc(C=Cc5ccc(-c6ccc(C=C(C#N)C(=O)O)s6)c6cscc56)s4)cc2)n3-c2ccc(OCCCCCCCC)cc2)cc1,ClCCl,548.0
CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc(-c3cc(CC(CC)CCCC)c(-c4sc(-c5sc(C(=O)O)cc5CC(CC)CCCC)c5nccnc45)s3)cc2)cc1,Cc1ccccc1,596.0
CCCCCCCCOc1ccc2c(c1)c(-c1ccc(C#N)cc1)nn2-c1ccccc1,C1CCOC1,348.0
CCCCCCCCOc1ccc2c3cccc4c(OCCCCCCCC)ccc(c5cccc1c52)c43,C1CCOC1,460.0
CCCCCCCCOc1ccc2c3cccc4c(OCCCCCCCC)ccc(c5cccc1c52)c43,Cc1ccccc1,462.0
CCCCCCCCOc1ccc2c3cccc4c(OCCCCCCCC)ccc(c5cccc1c52)c43,ClC(Cl)(Cl)Cl,462.0
CCCCCCCCOc1ccc2c3cccc4c(OCCCCCCCC)ccc(c5cccc1c52)c43,ClC(Cl)Cl,462.0
CCCCCCCCOc1ccc2c3cccc4c(OCCCCCCCC)ccc(c5cccc1c52)c43,ClCCl,461.0
CCCCCCCCOc1ccc2c3cccc4c(OCCCCCCCC)ccc(c5cccc1c52)c43,c1ccncc1,464.0
CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(-c3ccc(C(=O)O)cc3)c3nsnc23)=c2/cc/c3n2[Zn]n2c(ccc21)/C(c1ccc2c(c1)Sc1cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)ccc1N2CCCCCCCC)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,C1CCOC1,435.0
CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(-c3ccc(C(=O)O)cc3)c3nsnc23)=c2/cc/c3n2[Zn]n2c1ccc2/C(N(c1ccc(CCCCCC)cc1)c1ccc(CCCCCC)cc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,C1CCOC1,665.0
CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(/C=C(/O)C(=O)O)cc2)=c2/cc/c3n2[Zn]n2c1ccc2/C(N(c1ccc(CCCCCC)cc1)c1ccc(CCCCCC)cc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,C1CCOC1,640.0
CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(N(CCCC)CCCC)cc2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc(C(=O)O)cc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,C1CCOC1,671.0
CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(c2ccc(N(c3ccc(-c4ccc(CCCCCC)s4)cc3)c3ccc(-c4ccc(CCCCCC)s4)cc3)cc2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc(C(=O)O)s1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,ClCCl,449.0
CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(c2ccc3c(c2)Sc2cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)ccc2N3CCCCCCCC)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc(-c2ccc(C(=O)O)cc2)c2nsnc12)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,C1CCOC1,435.0
CCCCCCCC[C@@]1(C=C2C(=O)NC(=O)NC2=O)C=CC(NC(=C2C(=O)NC(=O)NC2=O)c2ccccc2)=CC1,C1CCOC1,467.0
CCCCCCCC[N+]1=C(/C=C/c2ccc3c(c2)c2ccccc2n3CCCCCC)C(C)(C)c2cc(C(=O)O)ccc21,CCO,514.0
CCCCCCCC[N+]1=C(/C=C2/C([O-])=C(/C=C3\N(CCCCCCCO)c4ccc(C(=O)O)cc4C3(C)C)C2=C(C#N)C(=O)OCC)C(C)(C)c2cc(C(=O)O)ccc21,CN(C)C=O,703.0
CCCCCCCC[n+]1ccc(-c2cc[n+](CCCCCCCC)cc2)cc1,CC#N,264.0
CCCCCCCCc1cc(/C=C(/C#N)C(=O)O)sc1-c1ccc(-c2sc(-c3ccc4c(c3)Sc3ccccc3N4CC(CC)CCCC)cc2CCCCCCCC)s1,ClCCl,488.0
CCCCCCCCc1cc(/C=C(/C#N)C(=O)O)sc1-c1ccc(-c2sc(-c3ccc4c(c3)c3nc5ccccc5nc3n4CC(CC)CCCC)cc2CCCCCCCC)s1,ClCCl,480.0
CCCCCCCCc1ccc(-c2c3cc(-c4cc(CCCCCCCC)c(-c5ccc(-c6sc(/C=C7\SC(SCC)=NC7=O)cc6CCCCCCCC)s5)s4)sc3c(-c3ccc(CCCCCCCC)s3)c3cc(-c4cc(CCCCCCCC)c(-c5ccc(-c6sc(/C=C7\SC(SCC)=NC7=O)cc6CCCCCCCC)s5)s4)sc23)s1,ClC(Cl)Cl,500.0
CCCCCCCCc1ccc(-c2ccc(/C=C(\C#N)c3ccc(-c4cccc5cccc(-c6ccc(/C(C#N)=C/c7ccc(-c8ccc(CCCCCCCC)cc8)cc7)cc6)c45)cc3)cc2)cc1,Cc1ccccc1,350.0
CCCCCCCCc1ccc(N(/C2=C3\C=CC(=N3)/C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=c3/cc/c4n3[Zn]n3c(ccc32)/C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)=C2/C=CC(=N2)/C=4C#Cc2ccc(C(=O)O)c3ccccc23)c2ccc(CCCCCCCC)cc2)cc1,C1CCOC1,652.0
CCCCCCCCc1nc2cnccn2c1NC1CCCCC1,CS(C)=O,329.0
CCCCCCCCn1c(-c2ccc(C3=C(C)C4=C(CCCCC)c5c(C)c(C=C(C#N)C(=O)O)c(C)n5[B-](F)(F)[N+]4=C3C)cc2)nc2c3ccccc3c3ccccc3c21,ClC(Cl)Cl,532.0
CCCCCCCCn1c(=C(C#N)C#N)s/c(=c2/c(=C\c3ccc(-c4ccc5c(c4)C4CCCC4N5c4ccc5c(c4)C(CCCC)(CCCC)c4ccccc4-5)s3)sc(=O)n2CC(=O)O)c1=O,ClC(Cl)Cl,565.0
CCCCCCCCn1c2ccc(C=C3SC(=S)N(CC(=O)O)C3=O)cc2c2cc(-c3ccc(OC)cc3)ccc21,ClC(Cl)Cl,457.0
CCCCCCCCn1c2ccccc2c2c(-c3ccccc3)cc3cc(-c4ccc(-c5ccc(/C=C(/C#N)C(=O)O)o5)s4)sc3c21,ClC(Cl)Cl,472.0
CCCCCCCCn1c2ccccc2c2cc(-c3ccc(/C=C(/C#N)C(=O)O)c(F)c3F)ccc21,ClC(Cl)Cl,398.0
CCCCCCCCn1c2ccccc2c2cc(-c3sc(-c4nc(CCCCCC)c(-c5ccc(C=C(C#N)C(=O)O)s5)s4)nc3CCCCCC)ccc21,ClCCl,456.0
CCCCCCCCn1c2ccccc2c2cc3c(cc21)c1cc(-c2cc(CCCCCC)c(-c4cc(CCCCCC)c(/C=C(\C#N)C(=O)O)s4)s2)ccc1n3CCCCCCCC,Cc1ccccc1,492.0
CCCCCCCCn1nc2c(-c3ccc(C(=O)O)cc3)c3nc(-c4ccccc4)c(-c4ccccc4)nc3c(-c3cccc4c3C3C5CCC(C5)C3N4c3ccccc3)c2n1,ClCCl,685.0
CCCCCCCN1/C(=C/C2=C([O-])/C(=C\C3=[N+](CCCCCCC)c4ccc(C5=C([O-])/C(=C\C6=[N+](CCCC)c7ccc(C(=O)O)cc7C6(C)C)C5=O)cc4C3(C)C)C2=O)C(C)(C)c2cc(C3=C([O-])C(=CC4=[N+](CCCC)c5ccccc5C4(C)C)C3=O)ccc21,ClC(Cl)Cl,856.0
CCCCCCCN1c2ccccc2Sc2cc(/C=C(\C#N)C(=O)O)ccc21,CN(C)C=O,397.0
CCCCCCCOc1ccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)cc1,CS(C)=O,425.0
CCCCCCCc1ccc(C2=[N+]3C(=C4c5cc(OCC(CC)CC)c(-c6ccc(CCCCCCC)o6)n5[B-](F)(F)[n+]5nnn(c54)[B-]3(F)F)C=C2OCC(CC)CC)o1,C1CCOC1,811.0
CCCCCCCc1ccc(C2=[N+]3C(=C4c5cc(OCC(CC)CC)c(-c6ccc(CCCCCCC)o6)n5[B-](F)(F)[n+]5nnn(c54)[B-]3(F)F)C=C2OCC(CC)CC)o1,ClCCl,826.0
CCCCCCCn1c2ccc(C=C(C#N)C(=O)O)cc2c2ccc(/C=C\c3ccc(N(c4ccc(/C=C\c5ccc6c7cc(C=C(C#N)C(=O)O)ccc7n(CCCCCCC)c6c5)cc4)c4ccc(/C=C/c5ccc6c7cc(C=C(C#N)C(=O)O)ccc7n(CCCCCCC)c6c5)cc4)cc3)cc21,ClCCl,402.0
CCCCCCN(CCCCCC)c1cc2c(C#Cc3ccc(/C=C(/C#N)C(=O)O)cc3)c3oc(N(CCCCCC)CCCCCC)cc3c(C#Cc3ccccc3)c2o1,C1CCOC1,477.0
CCCCCCN(CCCCCC)c1ccc2cc3cc(C(=O)CC)ccc3cc2c1,C1CCOC1,450.0
CCCCCCN(CCCCCC)c1ccc2cc3cc(C(=O)CC)ccc3cc2c1,CC#N,455.0
CCCCCCN(CCCCCC)c1ccc2cc3cc(C(=O)CC)ccc3cc2c1,CC(O)CO,462.0
CCCCCCN(CCCCCC)c1ccc2cc3cc(C(=O)CC)ccc3cc2c1,CCCCCC,439.0
CCCCCCN(CCCCCC)c1ccc2cc3cc(C(=O)CC)ccc3cc2c1,CCCO,456.0
CCCCCCN(CCCCCC)c1ccc2cc3cc(C(=O)CC)ccc3cc2c1,CCO,452.0
CCCCCCN(CCCCCC)c1ccc2cc3cc(C(=O)CC)ccc3cc2c1,CN(C)C=O,458.0
CCCCCCN(CCCCCC)c1ccc2cc3cc(C(=O)CC)ccc3cc2c1,CO,456.0
CCCCCCN(CCCCCC)c1ccc2cc3cc(C(=O)CC)ccc3cc2c1,CS(C)=O,460.0
CCCCCCN(CCCCCC)c1ccc2cc3cc(C(=O)CC)ccc3cc2c1,Cc1ccccc1,447.0
CCCCCCN(CCCCCC)c1ccc2cc3cc(C(=O)CC)ccc3cc2c1,ClC(Cl)Cl,458.0
CCCCCCN(CCCCCC)c1ccc2cc3cc(C(=O)CC)ccc3cc2c1,OCCO,464.0
CCCCCCN(c1ccccc1)c1ccc(/C=C(\C#N)c2ccc(C=C3C(=O)NC(=O)NC3=O)s2)cc1,ClC(Cl)Cl,483.0
CCCCCCN1B2c3c(cccc3-c3cc4c(cc3N2CCCCCC)-c2cccc3c2B(N(CCCCCC)c2ccccc2-3)N4CCCCCC)-c2ccccc21,ClCCl,435.0
CCCCCCN1C(=CC2=C([O-])C(=CC3=[N+](CCCCCC)c4ccc(-c5cc6c(OC)c7sc(C=C(C#N)C(=O)O)cc7c(OC)c6s5)cc4C3(C)C)C2=O)C(C)(C)c2ccccc21,ClC(Cl)Cl,664.0
CCCCCCN1C(=O)/C(=c2\s/c(=C/c3c(-c4ccc(CO)cc4)c(C)c4ccccn34)c(=O)n2CC(=O)O)SC1=S,ClCCl,616.0
CCCCCCN1C(=O)c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2C1=O,ClC(Cl)Cl,347.0
CCCCCCN1C(=O)c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2C1=O,c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1,375.0
CCCCCCN1C(=O)c2cccc3c(-c4cc5ccccc5s4)ccc(c23)C1=O,ClC(Cl)Cl,378.0
CCCCCCN1C(=O)c2cccc3c(-c4ccc(Br)cc4)ccc(c23)C1=O,CN(C)C=O,354.0
CCCCCCN1C(=O)c2cccc3c(-c4ccc(C)s4)ccc(c23)C1=O,ClC(Cl)Cl,385.0
CCCCCCN1C(=O)c2cccc3c(-c4scc5c4OCCO5)ccc(c23)C1=O,ClC(Cl)Cl,390.0
CCCCCCN1C(=O)c2cccc3cc(/N=C\c4cn(C)c5ccccc45)cc(c23)C1=O,ClC(Cl)Cl,344.0
CCCCCCN1c2ccc(-c3ccc(/C=C(/C#N)C(=O)O)s3)cc2S(=O)(=O)c2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)ccc21,C1CCOC1,416.6666666666667
CCCCCCN1c2ccc(/C=C(/C#N)C(=O)O)cc2Sc2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)s3)ccc21,C1CCOC1,442.0
CCCCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2cc(-c3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccc(N(c6ccc(C)cc6)c6ccc(-c7ccc8c(c7)Sc7cc(/C=C(\C#N)C(=O)O)ccc7N8CCCCCC)cc6)cc5)cc4)cc3)ccc21,ClCCl,470.0
CCCCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2cc(-c3ccc4c(c3)C(c3ccccc3OC)=[N+]3C4Cc4c5ccccc5c(-c5ccccc5OC)n4[B-]3(F)F)ccc21,C1CCOC1,638.0
CCCCCCN1c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2Sc2cc(-n3c4ccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)cc4c4cc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)ccc43)ccc21,ClCCl,464.0
CCCCCCN1c2ccc(C=C(C#N)C(=O)O)cc2Sc2cc(-c3ccc4[n+](c3)[B-](F)(F)N3C=CC=CC3=C4C#N)ccc21,C1CCOC1,466.0
CCCCCCN1c2ccc(C=C3SC(SC)=C(SC)S3)cc2Sc2cc(-c3ccc(C=C(C#N)C(=O)O)cc3)ccc21,ClCCl,472.0
CCCCCCN1c2ccccc2Sc2cc(C(c3ccc(-c4cc5c(s4)-c4sc(/C=C(\C#N)C(=O)O)cc4C5(CCCCCC)CCCCCC)cc3)c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3c5c(c6c(c3-4)C(CCCCCC)(CCCCCC)c3ccccc3-6)C(CCCCCC)(CCCCCC)c3ccccc3-5)ccc21,ClCCl,546.0
CCCCCCN1c2ccccc2Sc2cc(C3=C(C)C4=C(CCCCC)c5c(C)c(/C=C(\C#N)C(=O)O)c(C)n5[B-](F)(F)[N+]4=C3C)ccc21,ClC(Cl)Cl,532.0
CCCCCCOc1c(OC)cc(/C2=c3\cc/c4n3[Zn]n3c(ccc3/C(c3ccc5c(c3)C(CCCCCC)(CCCCCC)c3ccccc3-5)=C3/C=CC2=N3)/C(c2cc(OC)c(COCCCCC)c(OC)c2)=C2/C=CC(=N2)/C=4C#Cc2ccc(/C=C(/C#N)C(=O)O)s2)cc1OC,ClCCl,638.0
CCCCCCOc1c(OCCCCCC)c(-c2cc(CCCCCC)c(-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)s2)c2nc3c4ccccc4c4ccccc4c3nc2c1-c1cc(CCCCCC)c(/C=C(\C#N)C(=O)O)s1,ClC(Cl)Cl,516.0
CCCCCCOc1c(OCCCCCC)c(-c2cc(CCCCCC)c(-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)s2)c2nc3c4ccccc4c4ccccc4c3nc2c1-c1cc(CCCCCC)c(/C=C(\C#N)C(=O)O)s1,ClCCl,516.0
CCCCCCOc1c(OCCCCCC)c(-c2ccc(/C=C(\C#N)C(=O)O)s2)c2nsnc2c1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,C1CCOC1,466.0
CCCCCCOc1c2cc(-c3ccc4c(c3)[C@H]3CCC[C@H]3N4c3ccc(C)cc3)sc2c(OCCCCCC)c2cc(-c3cnc(C(=O)O)nc3)sc12,ClCCl,454.0
CCCCCCOc1cc(N(CC)CC)ccc1/C=C(\C#N)c1ccc(/C=C/C(=C(C#N)C#N)c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1,ClCCl,557.0
CCCCCCOc1cc(OCCCCCC)c2c(c1)C(C)(C)c1cc(N(c3ccc(-c4cc5c(s4)c4sc(C=C(C#N)C(=O)O)cc4n5C(CCCCCC)CCCCCC)cc3)c3ccc4c(c3)C(C)(C)c3cc(OCCCCCC)cc(OCCCCCC)c3-4)ccc1-2,ClCCl,541.0
CCCCCCOc1cc(OCCCCCC)cc(-c2ccc(N3c4cc(-c5ccc(C6=C7C(=O)N(CC(CC)CCCC)C(c8ccc(-c9ccc(C=C(C#N)C(=O)O)o9)cc8)=C7C(=O)N6CC(CC)CCCC)s5)ccc4C4CCCC43)cc2)c1,C1CCOC1,600.0
CCCCCCOc1cc(OCCCCCC)cc(-n2c3cc(C4=C5C(C)=CC(C)=[N+]5[B-](F)(F)n5c(C)cc(C)c54)sc3c3sc(-c4cc5c(s4)c4sc(/C=C(\C#N)C(=O)O)cc4n5-c4ccc(OCCCCCC)cc4OCCCCCC)cc32)c1,ClCCl,517.0
CCCCCCOc1ccc(-c2c3c4cc(-c5ccc(-c6ccc(C#Cc7ccc(C(=O)O)cc7)c7nsnc67)s5)ccc4n(CCCCCC)c3c(-c3ccc(OCCCCCC)c(OCCCCCC)c3)c3c4ccccc4n(CCCCCC)c23)cc1OCCCCCC,ClCCl,528.0
CCCCCCOc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc(OCCCCCC)cc6)s5)cc4)c4ccc(-c5ccc(-c6ccc(/C=C7/SC(=S)C(CC(=O)O)C7=O)s6)c6nsnc56)cc4)cc3)s2)cc1,ClC(Cl)Cl,530.0
CCCCCCOc1ccc(-c2ccc(/C=C/c3cc(/C=C/c4ccc(-c5ccc(OCCCCCC)cc5)cc4)ncn3)cc2)cc1,ClCCl,373.0
CCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(OCCCCCC)cc4OCCCCCC)cc3)c3ccc4c(c3)sc3cc(C=C(C#N)C(=O)O)sc34)cc2)c(OCCCCCC)c1,C1CCOC1,459.0
CCCCCCOc1ccc(-c2ccc3c(c2)Sc2cc(/C=C(/C#N)C(=O)O)ccc2N3CCCCCC)c(OCCCCCC)c1,ClCCl,477.0
CCCCCCOc1ccc(-c2ccc3c(c2)Sc2cc(/C=c4\s/c(=C(\C#N)C(=O)O)nc4-c4ccccc4)ccc2N3CCCCCC)c(OCCCCCC)c1,ClCCl,638.0
CCCCCCOc1ccc(-c2nc3c(-c4cc(CCCCCC)c(C=C(C#N)C(=O)O)s4)ccc(-c4ccc(-c5ccc(N(c6ccc(OCCCCCC)cc6)c6ccc(OCCCCCC)cc6)cc5)s4)c3n2CCCCCC)cc1,Cc1ccccc1,445.0
CCCCCCOc1ccc(-c2nc3c(-c4ccc(/C=C(\C#N)C(=O)O)cc4)c4nc(-c5ccc(OCCCCCC)cc5)c(-c5ccc(OCCCCCC)cc5)nc4c(-c4ccc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc4)c3nc2-c2ccc(OCCCCCC)cc2)cc1,ClCCl,565.0
CCCCCCOc1ccc(-c2nc3c(-c4ccc(C=C(C#N)C(=O)O)s4)sc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)c3nc2-c2ccc(OCCCCCC)c(OCCCCCC)c2)cc1OCCCCCC,C1CCOC1,633.0
CCCCCCOc1ccc(-n2c3cc(/C=C(\C#N)C(=O)O)sc3c3sc(-c4cc5c(s4)c4sc(CCCCCC)cc4n5CCCCCC)cc32)cc1,ClCCl,502.0
CCCCCCOc1ccc(N(c2ccc(/C=C/c3c4c(c(/C=C(\C#N)C(=O)O)c5c3OC(C)(C)O5)OC(C)(C)O4)cc2)c2ccc(OCCCCCC)cc2)cc1,ClCCl,453.0
CCCCCCOc1ccc(N(c2ccc(/C=C/c3cc4c(s3)c3sc(/C=C(\C#N)C(=O)O)cc3n4-c3ccc(OCCCCCC)cc3)cc2)c2ccc(OCCCCCC)cc2)cc1,ClCCl,516.0
CCCCCCOc1ccc(N(c2ccc(C=CC(=C(C#N)C(=O)O)c3cc(OC)ccc3OC)cc2)c2ccc(OCCCCCC)cc2)cc1,CCO,305.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2cc(OCCCCCC)c(C#Cc3c(CCCCCC)cc(C#Cc4ccc(C(=O)O)cc4)c4nsnc34)cc2OCCCCCC)cc1,CCO,492.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc(CCCCCC)c(-c4ncc(-c5sc(-c6ccc(/C=C(\C#N)C(=O)O)cc6)cc5CCCCCC)c5nsnc45)s3)cc2)cc1,ClCCl,563.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccncc5)cc3[Ge]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,C1CCOC1,441.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccncc5)cc3[Ge]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,C1COCCO1,440.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccncc5)cc3[Ge]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,CC#N,435.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccncc5)cc3[Ge]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,CCCCCC,438.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccncc5)cc3[Ge]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,CCO,446.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccncc5)cc3[Ge]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,CCOC(C)=O,437.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccncc5)cc3[Ge]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,CN(C)C=O,440.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccncc5)cc3[Ge]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,CS(C)=O,446.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccncc5)cc3[Ge]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,Cc1ccccc1,443.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccncc5)cc3[Ge]4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,ClCCl,445.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5sc(/C=C(/C#N)C(=O)O)c6c5OCCO6)cc3S4(=O)=O)cc2)cc1,ClC(Cl)Cl,514.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5sc(/C=C(\C#N)C(=O)O)c6sc(C(=O)OCC(CC)CCCC)cc56)cc3C4(CC(CC)CCCC)CC(CC)CCCC)cc2)cc1,ClCCl,660.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(/C=C(\C#N)C(=O)O)cc3C4(CCCCCC)CCCCCC)s2)cc1,ClC(Cl)Cl,565.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)c3sc(C=C(C#N)C(=O)O)cc3n4CCCCCC)cc2)cc1,C1CCOC1,506.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)c3sc(C=C(C#N)C(=O)O)cc3n4CCCCCC)cc2)cc1,ClCCl,525.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4cc(-c5nc6cccc(-c7ccc(-c8ccc(N(c9ccc(OCCCCCC)cc9)c9ccc(OCCCCCC)cc9)cc8)s7)c6nc5-c5ccc(/C=C(\C#N)C(=O)O)s5)cs4)s3)cc2)cc1,Cc1ccccc1,542.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4cc5c(s4)-c4sc(-c6ccc(C=C(C#N)C(=O)O)s6)cc4C5(CCCCCC)CCCCCC)s3)cc2)cc1,Clc1ccccc1,580.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4cc5sc(-c6ccc(C=C(C#N)C(=O)O)s6)cc5s4)s3)cc2)cc1,C1CCOC1,495.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5c(C)cc(C(=O)O)cc5C)c5nsnc45)s3)cc2)cc1,ClCCl,480.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(N(c7ccc(OCCCCCC)cc7)c7ccc(OCCCCCC)cc7)cc6)s5)c5nc(C(=O)O)c(C(=O)O)nc45)s3)cc2)cc1,ClCCl,590.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(N(c7ccc(OCCCCCC)cc7)c7ccc(OCCCCCC)cc7)cc6)s5)c5nc6c(nc45)c4sccc4c4cc(/C=C(\C#N)C(=O)O)sc46)s3)cc2)cc1,Cc1ccccc1,629.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)c4nsnc34)cc2)cc1,C1CCOC1,514.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)c4nsnc34)cc2)cc1,ClCCl,531.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(C4=C5C(=O)N(CCCCCC)C(c6ccc(-c7ccc(/C=C(\C#N)C(=O)O)cc7)cc6)=C5C(=O)N4CCCCCC)cc3)cc2)cc1,ClCCl,513.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3nc4c(-c5cc(CCCCCC)c(C=C(C#N)C(=O)O)s5)ccc(-c5cc(CCCCCC)c(C=C(C#N)C(=O)O)s5)c4n3CCCCCC)cc2)cc1,C1CCOC1,451.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3nc4c(-c5ccc(-c6cc(CCCCCC)c(C=C(C#N)C(=O)O)s6)s5)ccc(-c5ccc(-c6cc(CCCCCC)c(C=C(C#N)C(=O)O)s6)s5)c4n3CCCCCC)cc2)cc1,C1CCOC1,488.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ncc(-c4ccc(C=C(C#N)C(=O)O)o4)c4nn(CCCCCC)nc34)cc2)cc1,C1CCOC1,490.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3sc(-c4ccc5c6sc7c8sc(/C=C(\C#N)C(=O)O)cc8n(CCCCCC)c7c6n(CCCCCC)c5c4)cc3CCCCCC)cc2)cc1,ClCCl,525.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(C3=C4C(=O)N(C[C@@H](CC)CCCC)C(c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)cc6)s5)=C4C(=O)N3C[C@@H](CC)CCCC)cc2)cc1,C1CCOC1,620.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(C3C4C(=O)N(CCCCCC)C(c5ccc(-c6ccc(C=C(C#N)C(=O)O)s6)cc5)=C4C(=O)N3CCCCCC)cc2)cc1,ClCCl,556.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(C3CC4C(S3)C3C5NN(CCCCCC)NC5C5C6SC(/C=C(\C#N)C(=O)O)CC6N(CCCCCC)C5C3N4CCCCCC)cc2)cc1,ClCCl,555.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(C3SC4C(SC5C6SC7C(CCCCCC)C(/C=C(\C#N)C(=O)O)SC7C6N(c6ccc7c(c6)C(CCCCCC)(CCCCCC)c6c8c(c9c(c6-7)C(CCCCCC)(CCCCCC)c6ccccc6-9)C(CCCCCC)(CCCCCC)c6ccccc6-8)C45)C3CCCCCC)cc2)cc1,ClCCl,538.0
CCCCCCOc1ccc(N2c3ccc(-c4cc5sc(/C=C(\C#N)C(=O)O)c(CCC)c5s4)cc3C3CCCC32)cc1,ClCCl,495.0
CCCCCCSC1=C(SCCCCCC)SC(=Cc2ccc3c(c2)N(CCCCCC)c2ccc(/C=C(\C#N)C(=O)O)cc2S3)S1,CO,435.0
CCCCCCSC1=C(SCCCCCC)SC(=c2c3ccccc3c(=C3SC(SCCCCCC)=C(SCCCCCC)S3)c3cc(C#Cc4ccc(/C=C(\C#N)C(=O)O)cc4)ccc23)S1,CN(C)C=O,455.0
CCCCCCSc1ccc(N(c2ccc(SCCCCCC)cc2)c2ccc(-c3sc(C4=C/C(=C5/C=C(c6sc(C#Cc7ccc(C(=O)O)cc7)c(CCCCCC)c6CCCCCC)OC5=O)C(=O)O4)c(CCCCCC)c3CCCCCC)cc2)cc1,ClC(Cl)Cl,666.0
CCCCCC[Si]1(CCCCCC)c2cc(/C=C(/C#N)C(=O)O)sc2-c2sc(-c3sc(-c4ccc(N(c5ccc(OCC(CC)CCCC)cc5)c5ccc(OCC(CC)CCCC)cc5)cc4)c4c3OCCO4)cc21,CN(C)C=O,493.0
CCCCCCc1c(/C=C/c2sc3c(CCCCCC)c(-c4cc5c6c(c4)C(C)(C)c4cc(C(C)(C)C)cc7c4N6c4c(cc(C(C)(C)C)cc4C7(C)C)C5(C)C)sc3c2CCCCCC)sc2c(CCCCCC)c(/C=C(\C#N)C(=O)S)sc12,C1CCOC1,481.0
CCCCCCc1cc(-c2cc3c(s2)c2ccccc2n3CC)sc1-c1cc(CCCCCC)c(-c2cc(CCCCCC)c(-c3sc(/C=C(\C#N)C(=O)O)cc3CCCCCC)s2)s1,Cc1ccccc1,490.0
CCCCCCc1cc(-c2cc[n+](CC(=O)O)cc2)sc1-c1ccc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1,ClCCl,481.0
CCCCCCc1cc(-c2ccc(-c3cc(CCCCCC)c(-c4ccc(-n5c6cc(-c7ccc(OCC(CC)CCCC)cc7)sc6c6sc(-c7ccc(OCC(CC)CCCC)cc7)cc65)cc4)s3)c3nsnc23)sc1-c1ccc(C(=O)O)cc1,ClCCl,485.0
CCCCCCc1cc(-c2ccc(-c3cc(CCCCCC)c(/C=C(\C#N)C(=O)O)s3)c3nsnc23)sc1/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1,C1CCOC1,557.0
CCCCCCc1cc(-c2ccc(-c3ccc4c(c3)N(c3ccc(C)cc3)C3CCCC43)c3nsnc23)sc1-c1ccc(/C=C(\C#N)C(=O)O)s1,ClCCl,536.0
CCCCCCc1cc(-c2ccc(-c3ccc4c(c3)c3cccc5c3n4-c3ccccc3C5(CC)CC)c3nsnc23)sc1/C=C(\C#N)C(=O)O,C1CCOC1,478.0
CCCCCCc1cc(-c2ccc(/C=C(\C#N)C(=O)O)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,CN(C)C=O,466.0
CCCCCCc1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)sc1-c1ccc(/C=C(\C#N)C(=O)O)s1,ClCCl,492.0
CCCCCCc1cc(-c2ccc3c(-c4ccc(C(C)(C)C)cc4)c4cc(-c5cc(OCCCCC)c(/C=C(\C#N)C(=O)O)s5)ccc4c(-c4ccc(C(C)(C)C)cc4)c3c2)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClC(Cl)Cl,490.0
CCCCCCc1cc(-c2ccc3c(c2)C(CCCCCC)(CCCCCC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)sc1/C=C(\C#N)C(=O)O,Cc1ccccc1,452.0
CCCCCCc1cc(-c2ccc3c(c2)C2CCCC2N3c2ccc(C)cc2)sc1-c1ccc(C=c2sc(=C(C#N)C#N)[nH]c2=O)s1,ClCCl,504.0
CCCCCCc1cc(-c2ccc3c(c2)C2CCCC2N3c2ccc(C)cc2)sc1C=C(C#N)C(=O)O,ClCCl,528.0
CCCCCCc1cc(-c2ccc3c(c2)C2CCCC2N3c2ccc3c(c2)C(C)(C)c2ccccc2-3)sc1C=C1C(=C(C#N)C#N)c2cc(C(=O)O)ccc2S1(=O)=O,ClC(Cl)Cl,750.0
CCCCCCc1cc(-c2ccc3c(c2)C2CCCC2N3c2ccc3c(c2)C(C)(C)c2ccccc2-3)sc1C=C1C(=C(C#N)C#N)c2ccc(C(=O)O)cc2C1=C(C#N)C#N,ClC(Cl)Cl,821.0
CCCCCCc1cc(-c2ccc3c(c2)C2CCCC2N3c2ccc3c(c2)C(C)(C)c2ccccc2-3)sc1C=C1Sc2ccc(C(=O)O)cc2C1=O,ClC(Cl)Cl,561.0
CCCCCCc1cc(-c2ccc3c(c2)Sc2cc(-c4cc(CCCCCC)c(/C=C(\C#N)C(=O)O)s4)ccc2N3c2c(OC[C@@H](CC)CCCC)cccc2OC[C@@H](CC)CCCC)sc1/C=C(/C#N)C(=O)O,C1CCOC1,518.0
CCCCCCc1cc(-c2ccc3c[n+](CC(=O)O)ccc3c2)sc1-c1ccc(N(c2ccc(OCCCC)cc2)c2ccc(OCCCC)cc2)cc1,ClC(Cl)Cl,479.0
CCCCCCc1cc(-c2sc(-c3c(C)c4ccc(N(CC)CC)cc4oc3=O)cc2CCCCCC)sc1/C=C/c1ccc([Si](OCC)(OCC)OCC)s1,Cc1ccccc1,415.0
CCCCCCc1cc(-c2sc(-c3sc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3CCCCCC)cc2CCCCCC)sc1/C=C(\C#N)C(=O)O,C1CCOC1,456.0
CCCCCCc1cc(-c2sc(-c3sc(-c4sc(-c5ccc6c(c5)c5ccccc5n6CC)cc4CCCCCC)cc3CCCCCC)cc2CCCCCC)sc1/C=C(\C#N)C(=O)O,Cc1ccccc1,489.0
CCCCCCc1cc(-c2sc(-c3sc(-c4sc(-c5ccc6c(c5)c5ccccc5n6CC)cc4CCCCCC)cc3CCCCCC)cc2CCCCCC)sc1C=C(C#N)P(=O)(O)O,CC#N,450.0
CCCCCCc1cc(/C=C(/C#N)C(=O)O)sc1-c1ccc2c(c1)C(c1ccccc1OC)=[N+]1C2=Cc2c3ccc(-c4sc(/C=C(\C#N)C(=O)O)cc4CCCCCC)cc3c(-c3ccccc3OC)n2[B-]1(F)F,C1CCOC1,647.0
CCCCCCc1cc(/C=C(/C#N)C(=O)O)sc1-c1ccc2c(c1)C1CCCC1N2c1ccc(C)cc1,ClC(Cl)Cl,465.0
CCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1-c1ccc(-c2sc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2CCCCCC)s1,ClC(Cl)Cl,482.0
CCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1-c1ccc(-c2sc(-c3ccc4ccc5cccc6ccc3c4c56)cc2CCCCCC)s1,ClC(Cl)Cl,473.0
CCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1-c1ccc(-c2sc(-c3ccc4oc5ccccc5c4c3)cc2CCCCCC)s1,ClC(Cl)Cl,476.0
CCCCCCc1cc(C=C(C#N)C(=O)O)sc1-c1ccc(-c2ccc(-c3sc(-c4cc(CCCCCC)c(N(c5ccc(OC)cc5)c5ccc(OC)cc5)s4)cc3CCCCCC)s2)s1,ClC(Cl)Cl,475.0
CCCCCCc1cc(C=C(C#N)C(=O)O)sc1-c1ccc2c(c1)C(c1ccccc1OC)=[N+]1C2=Cc2c3ccc(-c4sc(/C=C(/C#N)C(=O)O)cc4CCCCCC)cc3c(-c3ccccc3OC)n2[B-]1(F)F,C1CCOC1,647.0
CCCCCCc1cc(C=C(C#N)C(=O)O)sc1-c1sc(-c2sc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2CCCCCC)c2nccnc12,ClC(Cl)Cl,362.0
CCCCCCc1cc2c(=O)c3cc(CCCCCC)cc4c(=O)c5cc(CCCCCC)cc6c(=O)c(c1)c2n(c34)c65,ClCCl,424.0
CCCCCCc1ccc(-c2cc(CCCCCC)c(-c3ccc(-c4sc(-c5ccc(P(=O)(O)O)s5)cc4CCCCCC)c4nsnc34)s2)s1,ClC(Cl)Cl,504.0
CCCCCCc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(CCCCCC)s5)s4)c4ccc5c(-c6ccc(-c7ccc(CCCCCC)s7)s6)cc(-c6ccc(-c7ccc(CCCCCC)s7)s6)c6ccc3c4c65)s2)s1,ClC(Cl)Cl,451.0
CCCCCCc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cc6sc(/C=C(/C#N)C(=O)O)cc6s5)cc4)c4ccc(-c5cc6sc(/C=C(\C#N)C(=O)O)cc6s5)cc4)cc3)s2)s1,CCO,463.0
CCCCCCc1ccc(-n2c3[n+](c4c5ccccc5c5ccccc5c42)[B-](C)(C)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)cc1,C1CCOC1,393.0
CCCCCCc1ccc(-n2c3[n+](c4c5ccccc5c5ccccc5c42)[B-](C)(C)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)cc1,CC#N,390.0
CCCCCCc1ccc(-n2c3[n+](c4c5ccccc5c5ccccc5c42)[B-](C)(C)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)cc1,Cc1ccccc1,397.0
CCCCCCc1ccc(-n2c3[n+](c4c5ccccc5c5ccccc5c42)[B-](C)(C)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)cc1,ClCCl,392.0
CCCCCCc1ccc(-n2c3[n+](c4c5ccccc5c5ccccc5c42)[B-](C)(C)c2ccc4ccccc4c2-3)cc1,C1CCOC1,392.0
CCCCCCc1ccc(-n2c3[n+](c4c5ccccc5c5ccccc5c42)[B-](C)(C)c2ccc4ccccc4c2-3)cc1,CC#N,385.0
CCCCCCc1ccc(-n2c3[n+](c4c5ccccc5c5ccccc5c42)[B-](C)(C)c2ccc4ccccc4c2-3)cc1,Cc1ccccc1,393.0
CCCCCCc1ccc(-n2c3[n+](c4c5ccccc5c5ccccc5c42)[B-](C)(C)c2ccc4ccccc4c2-3)cc1,ClCCl,390.0
CCCCCCc1ccc2c3c(ccc2c1)O[B-](F)(F)[N+](c1cc([N+]2=Cc4c(ccc5cc(CCCCCC)ccc45)O[B-]2(F)F)cc([N+]2=Cc4c(ccc5cc(CCCCCC)ccc45)O[B-]2(F)F)c1)=C3,C1CCOC1,418.0
CCCCCCc1ccc2c3c(ccc2c1)O[B-](F)(F)[N+](c1cc([N+]2=Cc4c(ccc5cc(CCCCCC)ccc45)O[B-]2(F)F)cc([N+]2=Cc4c(ccc5cc(CCCCCC)ccc45)O[B-]2(F)F)c1)=C3,CC#N,419.0
CCCCCCc1ccc2c3c(ccc2c1)O[B-](F)(F)[N+](c1cc([N+]2=Cc4c(ccc5cc(CCCCCC)ccc45)O[B-]2(F)F)cc([N+]2=Cc4c(ccc5cc(CCCCCC)ccc45)O[B-]2(F)F)c1)=C3,Cc1ccccc1,433.0
CCCCCCc1ccc2c3c(ccc2c1)O[B-](F)(F)[N+](c1cc([N+]2=Cc4c(ccc5cc(CCCCCC)ccc45)O[B-]2(F)F)cc([N+]2=Cc4c(ccc5cc(CCCCCC)ccc45)O[B-]2(F)F)c1)=C3,ClCCl,428.0
CCCCCCc1csc(/C=C/c2sc(/C=C/c3sc(/C=C/c4sc(/C=C(\C#N)C(=O)O)c(CCCCCC)c4CCCCCC)c(CCCCCC)c3CCCCCC)c(CCCCCC)c2CCCCCC)c1CCCCCC,ClCCl,564.0
CCCCCCc1nc(-c2nc(CCCCCC)c(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)sc1-c1ccc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1,ClCCl,460.0
CCCCCCc1nc(-c2nc(CCCCCC)c(-c3ccc(C=C(C#N)C(=O)O)s3)s2)sc1-c1ccc2c(c1)C1CCCC1N2c1ccc(C)cc1,ClCCl,464.0
CCCCCCc1nc(-c2nc(CCCCCC)c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)sc1C=C(C#N)c1ccc(-c2ccc(C=C(C#N)C(=O)O)cc2)cc1,ClCCl,459.0
CCCCCCc1sc(-c2ccc(-c3ccc4c(c3)Sc3cc(/C=C(\C#N)C(=O)O)ccc3N4CCCCCC)s2)c2c1OCCO2,ClCCl,481.0
CCCCCCn1c(=S)n(CCCCCC)c2cc(N(c3ccc(-c4sc(-c5cc(-c6ccc(OCC)cc6)c(/C=C(\C#N)C(=O)O)s5)cc4-c4ccc(OCC)cc4)cc3)c3ccc4c(c3)n(CCCCCC)c(=S)n4CCCCCC)ccc21,CC#N,482.0
CCCCCCn1c(C=C(C#N)c2ccc([N+](=O)[O-])cc2)ccc1/N=N\c1cc(C(=O)O)cc(C(=O)O)c1,C1CCOC1,615.0
CCCCCCn1c2c(c3cc(C#Cc4ccc(/C=C(\C#N)C(=O)O)s4)ccc31)C(CCCCCC)(CCCCCC)c1ccccc1-2,ClCCl,458.0
CCCCCCn1c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc2c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc21,C1CCOC1,470.0
CCCCCCn1c2ccc(/C=N/c3ccc4c(c3)c3ccccc3n4CC)cc2c2cc(/C=C(\C#N)C(=O)O)ccc21,ClCCl,396.0
CCCCCCn1c2ccccc2c2c(-c3ccccc3)c3c(c(-c4ccccc4)c21)c1cc(-c2ccc(-c4cc5c(s4)C=C(/C=C(/C#N)C(=O)O)C5)s2)ccc1n3CCCCCC,C1CCOC1,464.0
CCCCCCn1c2ccccc2c2cc(-c3nc4ccc(-c5ccc(C=C(C#N)C(=O)O)s5)cc4nc3-c3ccc4c(c3)c3ccccc3n4CCCCCC)ccc21,ClCCl,425.0
CCCCCCn1c2ccccc2c2cc(C=Cc3ccc(C=C4SC(=S)N(CC(=O)O)C4=O)cc3)ccc21,CCO,460.0
CCCCCCn1c2ccccc2c2cc3c4cc5c6ccccc6n(CCCCCC)c5cc4c4cc5c(C)cc(=O)oc5cc4c3cc21,ClC(Cl)Cl,393.0
CCCCCCn1nc2c(-c3ccc(C=C(C#N)C(=O)O)[se]3)ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)[se]3)c2n1,C1CCOC1,478.0
CCCCCO,Cc1ccccc1,384.0
CCCCCOc1ccc(N(/C2=c3\cc/c4n3[Zn]n3c(ccc3/C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=C3/C=CC2=N3)/C(C#Cc2ccc(C(=O)O)cc2)=C2/C=CC(=N2)/C=4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2ccc(OCCCCC)cc2)cc1,CCO,665.0
CCCCCc1c(C)c2c3ccccc3[nH]c2c2ccccc12,ClCCl,302.0
CCCCCc1cc(O)cc(Oc2c(OC)cc(O)c(C(=O)O)c2CCCCC)c1C(=O)OC,ClC(Cl)Cl,312.0
CCCCN(CCCC)c1ccc(C#Cc2cc(C#Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(C#Cc3ccc(N(CCCC)CCCC)cc3)cc2C#Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1,ClCCl,456.0
CCCCN(CCCC)c1ccc(C#Cc2cc(C#Cc3ccc(N(CCCC)CCCC)cc3)c(C#Cc3ccc(C#N)cc3)cc2C#Cc2ccc(C#N)cc2)cc1,ClCCl,435.0
CCCCN(CCCC)c1ccc(C#Cc2cc(C#Cc3ccc(N(CCCC)CCCC)cc3)c(C#Cc3ccc([N+](=O)[O-])cc3)cc2C#Cc2ccc([N+](=O)[O-])cc2)cc1,ClCCl,426.0
CCCCN(CCCC)c1ccc([C+]2C([O-])[C+](c3ccc(N(C)CCOC(=O)CCC(=O)OCc4ccc5c(=C(C#N)C#N)c6ccccc6c(=C(C#N)C#N)c5c4)cc3)C2[O-])cc1,ClC(Cl)Cl,632.0
CCCCN(CCCC)c1ccc2c(-c3ccc(F)c(C)c3)c3ccc(=[NH2+])cc-3oc2c1,O,535.0
CCCCN(CCCC)c1ccc2c(-c3ccc4c(c3)OCO4)c3ccc(=[NH2+])cc-3oc2c1,O,535.0
CCCCN(CCCC)c1ccc2c(-c3cccc(OC)c3)c3ccc(=[NH2+])cc-3oc2c1,O,535.0
CCCCN(CCCC)c1ccc2c(c1)OC1=NC(c3ccc(C(=O)O)cc3)n3c(nc4ccccc43)C1=C2,CS(C)=O,454.0
CCCCN(CCCC)c1ccc2c(c1)oc1c3oc(-c4ccc(C#N)cc4)nc3c3c(c4ccccc4n3C(=O)O)c21,C1COCCO1,427.0
CCCCN(CCCC)c1ccc2c(c1)oc1c3oc(-c4ccc(C(=O)O)cc4)nc3c3c(c4ccccc4n3CCC(=O)O)c21,C1COCCO1,411.0
CCCCN(CCCC)c1ccc2nc3c4ccccc4c(=O)c(-c4cccc5ccccc45)c-3oc2c1,ClCCl,552.0
CCCCN1/C(=C\C=C\C=C\C2=[N+](CCCC)c3ccc4cc(Br)ccc4c3C2(C)C)C(C)(C)c2c1ccc1cc(Br)ccc21,C1CCOC1,685.0
CCCCN1/C(=C\C=C\C=C\C2=[N+](CCCC)c3ccc4cc(Br)ccc4c3C2(C)C)C(C)(C)c2c1ccc1cc(Br)ccc21,CC#N,682.0
CCCCN1/C(=C\C=C\C=C\C2=[N+](CCCC)c3ccc4cc(Br)ccc4c3C2(C)C)C(C)(C)c2c1ccc1cc(Br)ccc21,CC(C)=O,685.0
CCCCN1/C(=C\C=C\C=C\C2=[N+](CCCC)c3ccc4cc(Br)ccc4c3C2(C)C)C(C)(C)c2c1ccc1cc(Br)ccc21,CCO,688.0
CCCCN1/C(=C\C=C\C=C\C2=[N+](CCCC)c3ccc4cc(Br)ccc4c3C2(C)C)C(C)(C)c2c1ccc1cc(Br)ccc21,CN(C)C=O,689.0
CCCCN1/C(=C\C=C\C=C\C2=[N+](CCCC)c3ccc4cc(Br)ccc4c3C2(C)C)C(C)(C)c2c1ccc1cc(Br)ccc21,CO,683.0
CCCCN1/C(=C\C=C\C=C\C2=[N+](CCCC)c3ccc4cc(Br)ccc4c3C2(C)C)C(C)(C)c2c1ccc1cc(Br)ccc21,CS(C)=O,692.0
CCCCN1/C(=C\C=C\C=C\C2=[N+](CCCC)c3ccc4cc(Br)ccc4c3C2(C)C)C(C)(C)c2c1ccc1cc(Br)ccc21,ClCCl,699.0
CCCCN1C(=O)C2=C(c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)o4)cc3)N(CCCC)C(=O)C2=C1c1ccc(-c2ccc3c(c2)C2CCCC2N3c2ccc(C)cc2)cc1,ClCCl,529.0
CCCCN1C(=O)C2=C(c3ccc(-c4ccccc4)cc3)NC(=O)C2=C1c1ccc(-c2ccccc2)cc1,ClCCl,485.0
CCCCN1C(=O)C2=C(c3ccc(Br)cc3)NC(=O)C2=C1c1ccc(Br)cc1,ClCCl,477.0
CCCCN1C(=O)c2cc(Br)c3c4c(Br)cc5c6c(cc(Br)c(c7c(Br)cc(c2c37)C1=O)c64)C(=O)N(CCCC)C5=O,ClC(Cl)Cl,532.0
CCCCN1C(=O)c2cc(Oc3ccc(C(C)(C)C)cc3)c3c4c(Oc5ccc(C(C)(C)C)cc5)c(Oc5ccc(C(C)(C)C)cc5)c5c6c(cc(Oc7ccc(C(C)(C)C)cc7)c(c7c(Oc8ccc(C(C)(C)C)cc8)c(Oc8ccc(C(C)(C)C)cc8)c(c2c37)C1=O)c64)C(=O)N(CCCC)C5=O,ClC(Cl)Cl,570.0
CCCCN1C(=O)c2cc(Oc3ccc(C(C)(C)C)cc3)c3c4c(Oc5ccc(C(C)(C)C)cc5)cc5c(=O)[nH]/c(=C\c6ccccn6)c6cc(Oc7ccc(C(C)(C)C)cc7)c(c7c(Oc8ccc(C(C)(C)C)cc8)cc(c2c37)C1=O)c4c56,ClCCl,615.0
CCCCN1C(=O)c2cccc3c(OC)ccc(c23)C1=O,CC#N,376.0
CCCCN1C(=O)c2cccc3c(OC)ccc(c23)C1=O,CS(C)=O,484.0
CCCCN1C(=O)c2cccc3c(OC)ccc(c23)C1=O,Cc1ccccc1,362.0
CCCCN1C(=S)c2cccc3c(N(C)C)ccc(c23)C1=S,CC#N,571.0
CCCCN1C(=S)c2cccc3c(N(C)C)ccc(c23)C1=S,CS(C)=O,588.0
CCCCN1C(=S)c2cccc3c(N(C)C)ccc(c23)C1=S,Cc1ccccc1,536.0
CCCCN1NC2C(N1)C(c1ccc(N(c3ccccc3)c3ccccc3)cc1)C1NSNC1C2c1ccc(/C=C(\C#N)C(=O)O)cc1,C1CCOC1,588.0
CCCCN1c2ccc(/C=C/c3ccc(/C=C(\C#N)C(=O)O)s3)cc2Sc2ccc(SC)cc21,ClCCl,478.0
CCCCN1c2ccccc2Sc2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc21,C1CCOC1,444.0
CCCCN1c2ccccc2Sc2cc(-c3nc4c(-c5ccc(/C=C(\C#N)C(=O)O)cc5)ccc(-c5ccc(/C=C(\C#N)C(=O)O)cc5)c4n3CCCC)ccc21,C1CCOC1,370.0
CCCCN1c2ccccc2Sc2cc(/C=C/c3ccc(/C=C4/SC(=S)N(CC(=O)O)C4=O)cc3)ccc21,ClCCl,465.0
CCCCNC(=O)CCC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(C)C)ccc1-2,C1COCCO1,364.0
CCCCNC(=O)CCC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(C)C)ccc1-2,CC#N,368.0
CCCCNC(=O)CCC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(C)C)ccc1-2,CCO,370.0
CCCCNC(=O)CCC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(C)C)ccc1-2,CS(C)=O,373.0
CCCCNC(=O)CCC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(C)C)ccc1-2,Cc1ccccc1,374.0
CCCCNC(=O)CCC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(C)C)ccc1-2,ClC(Cl)Cl,381.0
CCCCNC(=O)CCC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(C)C)ccc1-2,O,373.0
CCCCNc1ccc2n1[B-](F)(F)[N+]1=CC(/C=C/C(=O)OC(C)(C)C)=CC1=C2c1c(C)cc(C)cc1C,ClCCl,499.0
CCCCOC(=O)/C=C/c1nc2c(N(C)C)nc(N(C)C)nc2n1C,ClCCl,417.0
CCCCOC(=O)/C=C/c1nc2c(c(=O)n(C)c(=O)n2C)n1C,ClCCl,353.0
CCCCOc1c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc1Cc1cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc(c1OCCCC)Cc1cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc(c1OCCCC)Cc1cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc(c1OCCCC)C2,ClC(Cl)Cl,396.0
CCCCOc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4sc(C=C(C#N)C(=O)O)c5c4OCCO5)cc3)cc2)cc1,ClCCl,469.0
CCCCOc1ccc(/C=C/C=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1,CC#N,413.0
CCCCOc1ccc(/C=C/C=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1,CC1CCCCC1,414.0
CCCCOc1ccc(/C=C/C=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1,Cc1ccccc1,420.0
CCCCOc1ccc(/C=C/C=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1,ClCCl,421.0
CCCCSC1=C(SCCCC)SC(=C(C(=C2SC(SCCCC)=C(SCCCC)S2)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)cc4)s3)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)cc4)s3)cc2)S1,C1CCOC1,436.0
CCCCSC1=C(SCCCC)SC(=C(C(=C2SC(SCCCC)=C(SCCCC)S2)c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)S1,C1CCOC1,488.0
CCCC[C@@H](CC)Cn1c2cc(-c3ccc(/C=C(\C#N)C(=O)O)o3)ccc2c2nc3c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3nc21,ClCCl,438.0
CCCC[C@H](CC)C[C@@]1(C[C@H](CC)CCCC)c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)sc2-c2sc(-c3cnc(-c4ccc5c(c4)[C@H]4CCC[C@H]4N5c4ccc(C)cc4)c4nsnc34)cc21,ClC(Cl)Cl,593.0
CCCC[N+]1=C(/C=C2/C(=O)C(O)=C2[O-])C(C)(C)c2c1ccc(-c1ccccc1)c2-c1ccccc1,CCO,442.0
CCCC[N+]1=C(/C=C2\C(=O)C(/C=C3/N(CC)c4ccccc4C3(C)C)=C2[O-])C(C)(C)c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc21,CCO,663.0
CCCCc1c(CCCC)c2cc(C(C)(C)C)cc3c(CCCC)c(CCCC)c4cccc1c4[n+]23,ClCCl,354.0
CCCCc1cc(C(=O)CCC)c2ccc3c(CCCC)cc(N4CCCCC4)c4ccc1c2c34,C1CCOC1,405.0
CCCCc1cc(C(=O)CCC)c2ccc3c(CCCC)cc(N4CCCCC4)c4ccc1c2c34,CC#N,400.0
CCCCc1cc(C(=O)CCC)c2ccc3c(CCCC)cc(N4CCCCC4)c4ccc1c2c34,CCCCCC,400.0
CCCCc1cc(C(=O)CCC)c2ccc3c(CCCC)cc(N4CCCCC4)c4ccc1c2c34,CCO,404.0
CCCCc1cc(C(=O)CCC)c2ccc3c(CCCC)cc(N4CCCCC4)c4ccc1c2c34,CN(C)C=O,406.0
CCCCc1cc(C(=O)CCC)c2ccc3c(CCCC)cc(N4CCCCC4)c4ccc1c2c34,CO,401.0
CCCCc1cc(C(=O)CCC)c2ccc3c(CCCC)cc(N4CCCCC4)c4ccc1c2c34,Cc1ccccc1,406.0
CCCCc1cc(C(=O)CCC)c2ccc3c(CCCC)cc(N4CCCCC4)c4ccc1c2c34,ClC(Cl)Cl,409.0
CCCCc1cc(C(=O)CCC)c2ccc3c(CCCC)cc(N4CCCCC4)c4ccc1c2c34,ClCCl,407.0
CCCCc1ccc(-c2ccc(N(c3ccc(-c4ccc(CCCC)cc4)cc3)c3ccc(-c4ccc(C5=C6C(=O)N(CC(CC)CCCC)C(c7ccc(-c8ccc(/C=C(\C#N)C(=O)O)cc8)s7)=C6C(=O)N5CC(CC)CCCC)s4)cc3)cc2)cc1,ClCCl,606.0
CCCCc1ccc(-n2c(-c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)cc3)nc3c4ccccc4c4ccccc4c32)cc1,CN(C)C=O,421.0
CCCCc1ccc(-n2c(-c3ccc4c(c3)Sc3cc(C=C(C#N)C(=O)O)ccc3N4CC)nc(-c3ccc(OC)cc3)c2-c2ccc(OC)cc2)cc1,ClC(Cl)Cl,465.0
CCCCc1ccc(-n2c3c4cc(F)ccc4nc(-c4ccc(OC)cc4)c3c3c2c2c(-c4ccc(OC)cc4)nc4ccc(F)cc4c2n3-c2ccc(CCCC)cc2)cc1,ClC(Cl)Cl,305.0
CCCCc1ccc2ccc3c(CCCC)cc(C=O)c4ccc1c2c43,C1CCOC1,407.0
CCCCc1ccc2ccc3c(CCCC)cc(C=O)c4ccc1c2c43,CC#N,407.0
CCCCc1ccc2ccc3c(CCCC)cc(C=O)c4ccc1c2c43,CC(C)=O,407.0
CCCCc1ccc2ccc3c(CCCC)cc(C=O)c4ccc1c2c43,CCCCCC,404.0
CCCCc1ccc2ccc3c(CCCC)cc(C=O)c4ccc1c2c43,CCO,406.0
CCCCc1ccc2ccc3c(CCCC)cc(C=O)c4ccc1c2c43,CO,407.0
CCCCc1ccc2ccc3c(CCCC)cc(C=O)c4ccc1c2c43,CS(C)=O,411.0
CCCCc1ccc2ccc3c(CCCC)cc(C=O)c4ccc1c2c43,Cc1ccccc1,410.0
CCCCc1ccc2ccc3c(CCCC)cc(C=O)c4ccc1c2c43,ClC(Cl)Cl,413.0
CCCCc1ccc2ccc3c(CCCC)cc(C=O)c4ccc1c2c43,ClCCl,411.0
CCCCc1ccc2ccc3c(CCCC)cc(C=O)c4ccc1c2c43,OCC(F)(F)F,415.0
CCCCn1c(-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2)nc2c(-c3cccs3)sc(-c3cccs3)c21,C1CCOC1,388.0
CCCCn1c(-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)nc2c3cccc4ccc5cccc(c5c43)c21,C1CCOC1,452.0
CCCCn1c(-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)nc2c3cccc4ccc5cccc(c5c43)c21,CN(C)C=O,452.0
CCCCn1c(-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)nc2c3cccc4ccc5cccc(c5c43)c21,CO,452.0
CCCCn1c(-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)nc2c3cccc4ccc5cccc(c5c43)c21,ClCCl,452.0
CCCCn1c(-c2ccc(-c3ccc(C=O)s3)s2)nc2c3cccnc3c3ncccc3c21,ClCCl,396.0
CCCCn1c(-c2ccc(-c3ccncc3)s2)nc2c3cccnc3c3ncccc3c21,ClCCl,358.0
CCCCn1c(-c2ccc(-c3nnc(-c4ccc(-c5nc(-c6ccccc6)c(-c6ccccc6)n5CCCC)cc4)o3)cc2)nc(-c2ccccc2)c1-c1ccccc1,ClCCl,352.0
CCCCn1c(-c2ccc(-c3nnc(-c4ccc(-c5nc6ccccc6n5CCCC)cc4)o3)cc2)nc2ccccc21,ClCCl,331.0
CCCCn1c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc2c(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c21,C1CCOC1,469.0
CCCCn1c2cc(-c3ccc(-c4ccc(-c5ccc(C=O)s5)s4)s3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClCCl,441.0
CCCCn1c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21,C1CCOC1,476.0
CCCCn1c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21,CC#N,476.0
CCCCn1c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21,CCO,476.0
CCCCn1c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21,CN(C)C=O,476.0
CCCCn1c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21,Cc1ccccc1,476.0
CCCCn1c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21,ClC(Cl)Cl,476.0
CCCCn1c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21,ClCCl,476.0
CCCCn1c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClCCl,488.75
CCCCn1c2cc(-c3ccc(-c4ccc(C=O)cc4)s3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClCCl,410.0
CCCCn1c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2c2ccc(N(c3ccc4c(c3)C(CC)(CC)c3ccccc3-4)c3ccc4c(c3)C(CC)(CC)c3ccccc3-4)cc21,ClCCl,497.0
CCCCn1c2cc(-c3ccc(O)c(O)c3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCOC1,364.0
CCCCn1c2cc(-c3ccncc3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1COCCO1,375.0
CCCCn1c2ccc(/C=C(\C#N)C(=O)O)cc2c2cc(-c3sc(-c4ccc(OC)cc4)cc3-c3ccc(OC)cc3)ccc21,ClCCl,395.0
CCCCn1c2ccc(C#Cc3cccs3)cc2c2c1c1c3ccc(C#Cc4cccs4)cc3n(CCCC)c1c1c3ccc(C#Cc4cccs4)cc3n(CCCC)c21,C1CCOC1,348.0
CCCCn1c2ccc(C#N)cc2c2cc(C#N)cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c21,ClCCl,352.0
CCCCn1c2ccc(N(c3ccccc3)c3ccc(OC)cc3)cc2c2cc(N(c3ccc(/C=C(/C#N)C(=O)O)cc3)c3ccc(OC)cc3)ccc21,ClCCl,424.0
CCCCn1c2ccccc2c2cc(-c3nc4ccc(-c5ccc(C=C(C#N)C(=O)O)s5)cc4nc3-c3ccc4c(c3)c3ccccc3n4CCCC)ccc21,ClCCl,435.0
CCCCn1c2ccccc2c2cc(/C=C/c3ccc(/C=C/c4ccncc4)c4nsnc34)ccc21,ClCCl,482.0
CCCCn1nc2c(-c3ccc(/C=C(\C#N)C(=O)O)cc3)ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2n1,C1CCOC1,405.0
CCCN(CCC)C(=O)CNc1c(-c2ccc(Cl)cc2)nc2cc(C#N)ccn12,CS(C)=O,387.0
CCCN(CCC)C(=O)CNc1c(-c2ccc(Cl)cc2)nc2cc(C(=O)OC)ccn12,CS(C)=O,385.0
CCCN(CCC)c1ccc(-c2c3c(n4ccc(C(=O)OC)cc24)C(=O)N(CCNC(=O)OC(C)(C)C)C3)cc1,ClCCl,429.0
CCCN1/C(=C/C=C(/C=C/C2=[N+](CCC)c3ccccc3C2(C)C)c2ccncc2)C(C)(C)c2ccccc21,CO,634.0
CCCN1/C(=C/C=C(/C=C/C2=[N+](CCC)c3ccccc3C2(C)C)c2ccncc2)C(C)(C)c2ccccc21,CS(C)=O,643.0
CCCN1/C(=C/C=C(/C=C/C2=[N+](CCC)c3ccccc3C2(C)C)c2ccncc2)C(C)(C)c2ccccc21,O,633.0
CCCN1/C(=C/C=C(/C=C/c2sc3ccccc3[n+]2CCC)c2ccc([N+](=O)[O-])cc2)Sc2ccccc21,CO,645.0
CCCN1/C(=C/C=C(/C=C/c2sc3ccccc3[n+]2CCC)c2ccc([N+](=O)[O-])cc2)Sc2ccccc21,CS(C)=O,654.0
CCCN1/C(=C/C=C(/C=C/c2sc3ccccc3[n+]2CCC)c2ccc([N+](=O)[O-])cc2)Sc2ccccc21,O,642.0
CCCN1C(=O)C(=CC=CC=C2Oc3ccccc3N2CCCS(=O)(=O)[O-])C(=O)N(CCC)C1=S,C1COCCO1,565.0
CCCN1C(=O)C(=CC=CC=C2Oc3ccccc3N2CCCS(=O)(=O)[O-])C(=O)N(CCC)C1=S,CC(C)=O,559.0
CCCN1C(=O)C(=CC=CC=C2Oc3ccccc3N2CCCS(=O)(=O)[O-])C(=O)N(CCC)C1=S,CCCCO,562.0
CCCN1C(=O)C(=CC=CC=C2Oc3ccccc3N2CCCS(=O)(=O)[O-])C(=O)N(CCC)C1=S,CCCO,561.0
CCCN1C(=O)C(=CC=CC=C2Oc3ccccc3N2CCCS(=O)(=O)[O-])C(=O)N(CCC)C1=S,CCO,558.0
CCCN1C(=O)C(=CC=CC=C2Oc3ccccc3N2CCCS(=O)(=O)[O-])C(=O)N(CCC)C1=S,CO,554.0
CCCN1C(=O)C(=CC=CC=C2Oc3ccccc3N2CCCS(=O)(=O)[O-])C(=O)N(CCC)C1=S,ClC(Cl)Cl,568.0
CCCN1C(=O)C(=CC=CC=C2Oc3ccccc3N2CCCS(=O)(=O)[O-])C(=O)N(CCC)C1=S,O,530.0
CCCN1c2ccccc2Sc2cc(/C=C\c3cc(=O)oc4cc(C)c(Cl)cc34)ccc21,ClC(Cl)Cl,432.0
CCCN1c2ccccc2Sc2cc(/C=C\c3cc(=O)oc4cc(O)ccc34)ccc21,ClC(Cl)Cl,422.0
CCCN1c2ccccc2Sc2cc(C=Cc3cc(=O)oc4cc(C)c(Cl)cc34)ccc21,ClC(Cl)Cl,432.0
CCCNc1ccc(C)c2c1=NC(C)(C)N=2,CCO,564.0
CCCNc1ccc([N+](=O)[O-])c2n[se]nc12,CCO,510.0
CCCO,O,430.0
CCCOC(=O)c1ccc(C(=O)OCCC)cc1,CC#N,530.0
CCCOC(=O)c1ccc(C(=O)OCCC)nc1,CC#N,510.0
CCCOC(=O)c1ccncc1,CC#N,345.0
CCCOc1c(C=C(c2ccccc2)c2ccccc2)cc2c3ccccc3n(CCC)c2c1C=C(c1ccccc1)c1ccccc1,C1CCOC1,476.0
CCCOc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1,CS(C)=O,565.0
CCCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(C)C(CC)=C(C)C1=C2c1ccc(-c2ccc3c4ccc(N(c5ccccc5)c5ccccc5)cc4n(CCCCCCC(=O)O)c3c2)cc1,C1COCCO1,524.0
CCCc1cc2ccc3[o+]c(CCC)c(CCC)c4ccc(c1CCC)c2c34,ClCCl,460.0
CCCc1ccc2c(c1)cc1n2B2c3c4c-1cccc4cc1cccc(c31)-c1cc3cc(CCC)ccc3n12,C1CCOC1,537.0
CCCc1ccc2c(c1)cc1n2B2c3c4c-1cccc4cc1cccc(c31)-c1cc3cc(CCC)ccc3n12,ClCCl,537.0
CCCn1c2cccc3oc4cccc5oc6cccc1c6[c+](c45)c32,CC#N,541.0
CCN(CC)c1cc2oc3cc(O)c(F)cc3c(=O)c2cc1F,CCO,379.0
CCN(CC)c1ccc(-c2c3c(n4ccc(C(C)=O)cc24)C(=O)N(CCCNC(=O)OC(C)(C)C)C3)cc1,CO,441.0
CCN(CC)c1ccc(-c2cc3c(s2)c(C(=O)OC)cc(=O)n3C)cc1,C1CCOC1,436.0
CCN(CC)c1ccc(-c2cc3c(s2)c(C(=O)OC)cc(=O)n3C)cc1,CC#N,436.0
CCN(CC)c1ccc(-c2cc3c(s2)c(C(=O)OC)cc(=O)n3C)cc1,CCO,444.0
CCN(CC)c1ccc(-c2cc3c(s2)c(C(=O)OC)cc(=O)n3C)cc1,CN(C)C=O,442.0
CCN(CC)c1ccc(-c2cc3c(s2)c(C(=O)OC)cc(=O)n3C)cc1,CO,444.0
CCN(CC)c1ccc(-c2cc3c(s2)c(C(=O)OC)cc(=O)n3C)cc1,CS(C)=O,446.0
CCN(CC)c1ccc(-c2cc3c(s2)c(C(=O)OC)cc(=O)n3C)cc1,Cc1ccccc1,434.0
CCN(CC)c1ccc(-c2cc3c(s2)c(C(=O)OC)cc(=O)n3C)cc1,ClC(Cl)Cl,442.0
CCN(CC)c1ccc(-c2cc3c(s2)c(C(=O)OC)cc(=O)n3C)cc1,ClCCl,442.0
CCN(CC)c1ccc(-c2nc(Oc3ccc(-c4nc5ccc(Cl)cc5o4)cc3)nc(Oc3ccc(-c4nc5ccc(Cl)cc5o4)cc3)n2)cc1,CN(C)C=O,393.0
CCN(CC)c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,C1CCOC1,357.0
CCN(CC)c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,CC#N,360.5
CCN(CC)c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,CCCCCC,355.0
CCN(CC)c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,CCOC(C)=O,346.0
CCN(CC)c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,CO,352.0
CCN(CC)c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,CS(C)=O,361.0
CCN(CC)c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,Cc1ccccc1,359.0
CCN(CC)c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,ClCCl,357.0
CCN(CC)c1ccc(/C=C/c2ccc(-c3ccc(/C=C/c4ccc(N(CC)CC)cc4)s3)s2)cc1,Cc1ccccc1,467.896679
CCN(CC)c1ccc(/C=C2\CC/C(=C\c3ccc(N(c4ccc(/C=C5\CC/C(=C\c6ccc(N(CC)CC)cc6)C5=C(C#N)C#N)cc4)c4ccc(/C=C5\CC/C(=C\c6ccc(N(CC)CC)cc6)C5=C(C#N)C#N)cc4)cc3)C2=C(C#N)C#N)cc1,CN(C)C=O,590.0
CCN(CC)c1ccc(/C=C2\CC/C(=C\c3ccc(N(c4ccccc4)c4ccc(/C=C5\CC/C(=C\c6ccc(N(CC)CC)cc6)C5=C(C#N)C#N)cc4)cc3)C2=C(C#N)C#N)cc1,CN(C)C=O,592.0
CCN(CC)c1ccc(/C=N/c2cc3ccccc3cc2/N=C/c2ccc(N(CC)CC)cc2O)c(O)c1,CC#N,403.0
CCN(CC)c1ccc(/C=N/c2cc3ccccc3cc2/N=C/c2ccc(N(CC)CC)cc2O)c(O)c1,CN(C)C=O,416.0
CCN(CC)c1ccc(/C=N/c2cc3ccccc3cc2/N=C/c2ccc(N(CC)CC)cc2O)c(O)c1,ClCCl,447.0
CCN(CC)c1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(C)cc(C)c32)cc1,CO,500.0
CCN(CC)c1ccc(C=C(C#N)c2ccc(-c3nc4ccc(C(=O)O)cc4[nH]3)s2)cc1,CN(C)C=O,460.0
CCN(CC)c1ccc(C=C2SC(=S)N(CC(=O)O)C2=O)cc1,CCO,469.0
CCN(CC)c1ccc(C=CC(=O)O)cc1,CCO,364.0
CCN(CC)c1ccc(C=CC(=O)O)cc1,CN(C)C=O,367.0
CCN(CC)c1ccc(C=C[N+](=O)[O-])cc1,CN(C)C=O,458.0
CCN(CC)c1ccc(C=Cc2ccc(C=Cc3ccc(Br)cc3)cc2)cc1,Cc1ccccc1,401.0
CCN(CC)c1ccc2c(-c3ccc(C(=O)NCCCCCC(=O)O)cc3C(=O)O)c3ccc(N(CC)CC)cc3[o+]c2c1,CCO,547.0
CCN(CC)c1ccc2c(-c3ccc(C(=O)NCCCCCC(=O)O)cc3S(=O)(=O)O)c3ccc(N(CC)CC)cc3[o+]c2c1,CCO,560.0
CCN(CC)c1ccc2c(-c3ccc4ccccc4c3)c3ccc(=[NH2+])cc-3[nH]c2c1,O,485.0
CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3c([o+]c2c1)/C(=C/C=C/C=C1\N(CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc2C1(C)CCCC(=O)O)CCC3,CCO,800.0
CCN(CC)c1ccc2c(-c3ccccc3C(=O)[O-])c3c([o+]c2c1)-c1ccccc1C3,CCO,524.0
CCN(CC)c1ccc2c(/C=C/C=C/C=C/C=C3\N(CCC[SH](=O)([O-])O)c4ccc(S(=O)(=O)[O-])cc4C3(C)CCCC(=O)O)cc(C(C)(C)C)[o+]c2c1,CCO,844.0
CCN(CC)c1ccc2c(C#N)c(C=C(C#N)c3nc4ccccc4o3)c(=O)oc2c1,Cc1ccccc1,611.0
CCN(CC)c1ccc2c(C(=O)ON3C(=O)C=CC3=O)cc(=O)oc2c1,CO,432.0
CCN(CC)c1ccc2c(O)c(N=Nc3ccccc3)c(=O)oc2c1,CO,463.0
CCN(CC)c1ccc2c(c1)O/C(=C/C=C1/C(=O)N(CCCCCC(=O)O)C(=O)N(CCCS(=O)(=O)[O-])C1=O)C=C2C(C)(C)C,CCO,610.0
CCN(CC)c1ccc2c(c1)OC(=C1C=CC(=[N+](CC)CC)C=C1)C=C2c1ccccc1C(=O)O,O,598.0
CCN(CC)c1ccc2c(c1)OC1=C(/C=C/C3=[N+](CC)c4ccc5ccccc5c4C3(C)C)CCCC1=C2/C=C1/N(CC)c2ccccc2C1(C)C,ClCCl,720.0
CCN(CC)c1ccc2c(c1)P(C)(=O)C1=CC(=[N+](CC)CC)C=CC1=C2c1ccccc1,O,694.0
CCN(CC)c1ccc2c(c1)[Si](C)(C)C1=CC(=[N+](CC)CC)C=CC1=C2c1ccccc1C(=O)O,O,650.0
CCN(CC)c1ccc2c(c1)oc(=O)c1cc3cnn(-c4ccccc4)c3nc12,ClCCl,379.0
CCN(CC)c1ccc2c3c(c(=O)oc2c1)N=[N+](c1ccccc1)[B-](F)(F)O3,CN(C)C=O,536.0
CCN(CC)c1ccc2cc(-c3ccc(-c4ccc5c6ccccc6c6c7cc(-c8ccc(-c9cc%10ccc(N(CC)CC)cc%10oc9=O)cc8)ccc7c7ccccc7c6c5c4)cc3)c(=O)oc2c1,ClC(Cl)Cl,412.0
CCN(CC)c1ccc2cc(-c3csc(NC(C)=O)c3C#N)c(=O)oc2c1,CO,404.0
CCN(CC)c1ccc2cc(-c3csc(NC(C)=O)c3C#N)c(=O)oc2c1,CS(C)=O,394.0
CCN(CC)c1ccc2cc(-c3csc(NC(C)=O)c3C#N)c(=O)oc2c1,Cc1ccccc1,402.0
CCN(CC)c1ccc2cc(/C=C/C(=C(C#N)C#N)c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(=O)oc2c1,CC(C)=O,516.0
CCN(CC)c1ccc2cc(/C=C/C(=C(C#N)C#N)c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(=O)oc2c1,CCOC(C)=O,507.0
CCN(CC)c1ccc2cc(/C=C/C(=C(C#N)C#N)c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(=O)oc2c1,CN(C)C=O,528.0
CCN(CC)c1ccc2cc(/C=C/C(=C(C#N)C#N)c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(=O)oc2c1,CS(C)=O,536.0
CCN(CC)c1ccc2cc(/C=C/C(=C(C#N)C#N)c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(=O)oc2c1,Cc1ccccc1,493.0
CCN(CC)c1ccc2cc(/C=C/C(=C(C#N)C#N)c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(=O)oc2c1,ClCCl,518.0
CCN(CC)c1ccc2cc(/C=C/C(=C(C#N)C#N)c3ccc4c(c3)c3ccccc3n4CC)c(=O)oc2c1,CC(C)=O,514.0
CCN(CC)c1ccc2cc(/C=C/C(=C(C#N)C#N)c3ccc4c(c3)c3ccccc3n4CC)c(=O)oc2c1,CCOC(C)=O,500.0
CCN(CC)c1ccc2cc(/C=C/C(=C(C#N)C#N)c3ccc4c(c3)c3ccccc3n4CC)c(=O)oc2c1,CN(C)C=O,528.0
CCN(CC)c1ccc2cc(/C=C/C(=C(C#N)C#N)c3ccc4c(c3)c3ccccc3n4CC)c(=O)oc2c1,CS(C)=O,534.0
CCN(CC)c1ccc2cc(/C=C/C(=C(C#N)C#N)c3ccc4c(c3)c3ccccc3n4CC)c(=O)oc2c1,Cc1ccccc1,510.0
CCN(CC)c1ccc2cc(/C=C/C(=C(C#N)C#N)c3ccc4c(c3)c3ccccc3n4CC)c(=O)oc2c1,ClCCl,522.0
CCN(CC)c1ccc2cc(/C=C/c3ccc(N(c4ccc(/C=C/c5cc6ccc(N(CC)CC)cc6oc5=O)cc4)c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)cc4)cc3)c(=O)oc2c1,ClCCl,460.0
CCN(CC)c1ccc2cc(/C=C/c3ccc([N+](=O)[O-])cc3)c(=O)oc2c1,CC#N,459.0
CCN(CC)c1ccc2cc(C#N)/c(=N\C(=O)c3ccccc3)oc2c1,CCO,424.0
CCN(CC)c1ccc2cc(C#N)/c(=N\C(=O)c3ccccc3)oc2c1,ClCCl,430.0
CCN(CC)c1ccc2cc3cc(-c4ccc(C(F)(F)F)cc4)n(CCCC(=O)OCc4ccccc4)c(=O)n3c2c1,CCCCCC,396.0
CCN(CC)c1ccc2cc3cc(-c4ccc(C(F)(F)F)cc4)n(CCCC(=O)OCc4ccccc4)c(=O)n3c2c1,CCCCCCCCO,397.0
CCN(CC)c1ccc2cc3cc(-c4ccc(C(F)(F)F)cc4)n(CCCC(=O)OCc4ccccc4)c(=O)n3c2c1,CCO,393.0
CCN(CC)c1ccc2cc3cc(-c4ccc(C(F)(F)F)cc4)n(CCCC(=O)OCc4ccccc4)c(=O)n3c2c1,CN(C)C=O,396.0
CCN(CC)c1ccc2nc(/C=C(\C#N)C(=O)O)ccc2c1,ClC(Cl)Cl,459.0
CCN(CC)c1ccc2nc3c4cc(C5=CC(C)(C)NC5(C)C)ccc4c(=O)cc-3oc2c1,C1COCCO1,564.0
CCN(CC)c1ccc2nc3ccc(=[N+](CC)CC)cc-3oc2c1,C1COCCO1,647.0
CCN(CC)c1ccc2nc3ccc(=[N+](CC)CC)cc-3oc2c1,CC#N,643.0
CCN(CC)c1ccc2nc3ccc(=[N+](CC)CC)cc-3oc2c1,CCCCCCc1ccc(-c2ccc(C#N)cc2)cc1,662.0
CCN(CC)c1ccc2nc3ccc(=[N+](CC)CC)cc-3oc2c1,CCCCCc1ccc(-c2ccc(C#N)cc2)cc1,662.0
CCN(CC)c1ccc2nc3ccc(=[N+](CC)CC)cc-3oc2c1,CCCCc1ccc(/N=C/c2ccc(OC)cc2)cc1,659.0
CCN(CC)c1ccc2nc3ccc(=[N+](CC)CC)cc-3oc2c1,CCOCC,645.0
CCN(CC)c1ccc2nc3ccc(=[N+](CC)CC)cc-3oc2c1,CO,643.0
CCN(CC)c1ccc2nc3ccc(=[N+](CC)CC)cc-3oc2c1,CS(C)=O,655.0
CCN(CC)c1ccc2nc3ccc(=[N+](CC)CC)cc-3oc2c1,Cc1ccccc1,653.0
CCN(CC)c1ccc2nc3ccc(=[N+](CC)CC)cc-3oc2c1,ClC(Cl)Cl,649.0
CCN(CC)c1ccc2nc3ccc(=[N+](CC)CC)cc-3oc2c1,ClCCl,648.0
CCN(CC)c1ccc2nc3ccc(=[N+](CC)CC)cc-3oc2c1,N#Cc1ccccc1,655.0
CCN(CC)c1ccc2nc3ccc(=[N+](CC)CC)cc-3oc2c1,O,654.0
CCN(CC)c1ccc2nc3ccc(=[N+](CC)CC)cc-3oc2c1,c1ccccc1,655.0
CCN(CCCN(C)C)c1ccc2c(-c3ccc(C)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,525.0
CCN1/C(=C/C=C/C=C2\CCCc3c2[o+]c2cc4c(cc2c3C2=C(C(=O)N(C)CCCC(=O)O)C=CCC2)C(CS(=O)(=O)[O-])=CC(C)(C)N4CC)C(C)(C)c2c1ccc1c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc21,CCO,863.0
CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3ccc4cc(Br)ccc4c3C2(C)C)C(C)(C)c2c1ccc1cc(Br)ccc21,C1CCOC1,683.0
CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3ccc4cc(Br)ccc4c3C2(C)C)C(C)(C)c2c1ccc1cc(Br)ccc21,CC#N,680.0
CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3ccc4cc(Br)ccc4c3C2(C)C)C(C)(C)c2c1ccc1cc(Br)ccc21,CC(C)=O,682.0
CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3ccc4cc(Br)ccc4c3C2(C)C)C(C)(C)c2c1ccc1cc(Br)ccc21,CCO,685.0
CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3ccc4cc(Br)ccc4c3C2(C)C)C(C)(C)c2c1ccc1cc(Br)ccc21,CN(C)C=O,686.0
CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3ccc4cc(Br)ccc4c3C2(C)C)C(C)(C)c2c1ccc1cc(Br)ccc21,CO,681.0
CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3ccc4cc(Br)ccc4c3C2(C)C)C(C)(C)c2c1ccc1cc(Br)ccc21,CS(C)=O,689.0
CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3ccc4cc(Br)ccc4c3C2(C)C)C(C)(C)c2c1ccc1cc(Br)ccc21,ClCCl,697.0
CCN1C(=O)/C(=c2\s/c(=C\c3ccc4c(c3)C3CCCC3N4c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c(=O)n2CC(=O)O)SC1=S,CC(C)(C)O,526.0
CCN1C(=O)/C(=c2\s/c(=C\c3ccc4c(c3)C3CCCC3N4c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c(=O)n2CC(=O)O)SC1=S,ClC(Cl)Cl,548.0
CCN1C(=O)C(=CC2=C3N(CCC2)c2ccccc2C3(C)C)C(=O)N(CC)C1=S,CCO,508.0
CCN1C(=O)C(=CC=C2C=CN(C)c3ccccc32)SC1=S,CCO,620.5
CCN1C(=O)C(=CC=CC=CC=C2N(c3ccccc3)c3ccccc3N2c2ccccc2)C(=O)N(CC)C1=S,CCO,700.0
CCN1CCN(CC)c2cc3c(cc21)Oc1cc2c(cc1=C3c1ccccc1C(=O)[O-])N(CC)CC[N+]=2CC,CCO,588.0
CCN1O/C(=c2\c(=Cc3ccc(-c4ccc5c(c4)C4CCCC4N5c4ccc(C(F)(F)F)cc4)cc3)sc(=O)n2CC(=O)O)SC1=S,ClC(Cl)Cl,521.0
CCN1c2cc3c(cc2N(CC)C2CCCCC21)C(c1ccccc1C(=O)[O-])=c1cc2c4c(c1O3)CCC[N+]=4CCC2,CCO,593.0
CCN1c2ccc(-c3cc(C(F)(F)F)[nH]n3)cc2Sc2cc(-c3cc(C(F)(F)F)[nH]n3)ccc21,C1CCOC1,336.0
CCN1c2ccc(-c3cc(C(F)(F)F)[nH]n3)cc2Sc2cc(-c3cc(C(F)(F)F)[nH]n3)ccc21,CC#N,336.0
CCN1c2ccc(-c3cc(C(F)(F)F)[nH]n3)cc2Sc2cc(-c3cc(C(F)(F)F)[nH]n3)ccc21,CN(C)C=O,336.0
CCN1c2ccc(-c3cc(C(F)(F)F)[nH]n3)cc2Sc2cc(-c3cc(C(F)(F)F)[nH]n3)ccc21,ClCCl,334.0
CCN1c2ccc(-c3cc(C(F)(F)F)[nH]n3)cc2Sc2cc(-c3cc(C(F)(F)F)[nH]n3)ccc21,c1ccccc1,336.0
CCN1c2ccc(/C=C(\C#N)c3ccccc3)cc2Sc2cc(/C=C(\C#N)c3ccccc3)ccc21,C1CCOC1,429.0
CCN1c2ccc(/C=C(\C#N)c3ccccc3)cc2Sc2cc(/C=C(\C#N)c3ccccc3)ccc21,CC#N,431.0
CCN1c2ccc(/C=C(\C#N)c3ccccc3)cc2Sc2cc(/C=C(\C#N)c3ccccc3)ccc21,CC(C)=O,430.0
CCN1c2ccc(/C=C(\C#N)c3ccccc3)cc2Sc2cc(/C=C(\C#N)c3ccccc3)ccc21,CN(C)C=O,437.0
CCN1c2ccc(/C=C(\C#N)c3ccccc3)cc2Sc2cc(/C=C(\C#N)c3ccccc3)ccc21,CS(C)=O,441.0
CCN1c2ccc(/C=C(\C#N)c3ccccc3)cc2Sc2cc(/C=C(\C#N)c3ccccc3)ccc21,Cc1ccccc1,440.0
CCN1c2ccc(/C=C(\C#N)c3ccccc3)cc2Sc2cc(/C=C(\C#N)c3ccccc3)ccc21,ClCCl,435.0
CCN1c2ccccc2Sc2cc(/C=C(/C#N)C(=O)O)ccc21,C1CCOC1,447.0
CCN1c2ccccc2Sc2cc(/C=C(/C#N)C(=O)O)ccc21,CCO,436.0
CCN1c2ccccc2Sc2cc(C=C(C#N)C(=O)O)ccc21,CC#N,400.0
CCNCC,CCCCCC,193.0
CCNc1ccc2c(-c3cc(C)c(OC)c(C)c3)c3ccc(=[NH2+])cc-3oc2c1,O,510.0
CCNc1ccc2c(-c3ccc(C)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,510.0
CCNc1ccc2c(-c3ccc(C4OCCCO4)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,530.0
CCNc1ccc2c(-c3ccc(F)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,515.0
CCNc1ccc2c(-c3ccc(SC)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,505.0
CCOC(=O)/C(=C/c1ccc(N(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)c1nnn[nH]1,ClCCl,429.0
CCOC(=O)/C(=C\c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)C(=O)O,ClCCl,414.0
CCOC(=O)/C(C#N)=C\c1ccc2c(c1)c1ccccc1n2-c1ccc(OC)cc1,C1CCOC1,393.0
CCOC(=O)/C(C#N)=C\c1ccc2c(c1)c1ccccc1n2-c1ccc(OC)cc1,CC#N,391.0
CCOC(=O)/C(C#N)=C\c1ccc2c(c1)c1ccccc1n2-c1ccc(OC)cc1,CC(C)=O,391.0
CCOC(=O)/C(C#N)=C\c1ccc2c(c1)c1ccccc1n2-c1ccc(OC)cc1,CCOC(C)=O,391.0
CCOC(=O)/C(C#N)=C\c1ccc2c(c1)c1ccccc1n2-c1ccc(OC)cc1,CO,393.0
CCOC(=O)/C(C#N)=C\c1ccc2c(c1)c1ccccc1n2-c1ccc(OC)cc1,CS(C)=O,399.0
CCOC(=O)/C(C#N)=C\c1ccc2c(c1)c1ccccc1n2-c1ccc(OC)cc1,Cc1ccccc1,396.0
CCOC(=O)/C(C#N)=C\c1ccc2c(c1)c1ccccc1n2-c1ccc(OC)cc1,ClC(Cl)Cl,401.0
CCOC(=O)/N=c1/oc2c(OC)cccc2cc1C#N,ClCCl,374.0
CCOC(=O)CCCCCn1c2ccc(F)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(F)ccc1n3CCCCCC(=O)OCC,CO,540.0
CCOC(=O)CCCCCn1c2ccccc2c(=O)c2cc(I)ccc21,CO,414.0
CCOC(=O)CCCCCn1c2ccccc2c(=O)c2cc([N+](=O)[O-])ccc21,O,413.0
CCOC(=O)CCCn1c(C(=O)OC)c(C)c2c(=O)n3c(cc21)C(CC)=C(C)C3=O,C1CCCCC1,396.0
CCOC(=O)CCCn1c(C(=O)OC)c(C)c2c(=O)n3c(cc21)C(CC)=C(C)C3=O,CO,397.0
CCOC(=O)CCCn1c(C(=O)OC)c(C)c2c(=O)n3c(cc21)C(CC)=C(C)C3=O,CS(C)=O,397.0
CCOC(=O)CCCn1c(C(=O)OC)c(C)c2c(=O)n3c(cc21)C(CC)=C(C)C3=O,ClC(Cl)Cl,398.0
CCOC(=O)CCCn1c(C(=O)OC)c(C)c2c(=O)n3c(cc21)C(CC)=C(C)C3=O,c1ccccc1,397.0
CCOC(=O)COc1ccc(/C=C/C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c2c2ccccc2c3-c2[nH]c(C)cc2C)cc1,ClCCl,608.0
CCOC(=O)COc1ccc(/C=C/C2=C3c4ccccc4C(c4[nH]c(C)cc4C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(OCC(=O)OCC)cc4)cc(C)c32)cc1,C1CCOC1,676.0
CCOC(=O)COc1ccc(/C=C/C2=C3c4ccccc4C(c4[nH]c(C)cc4C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(OCC(=O)OCC)cc4)cc(C)c32)cc1,CC#N,667.0
CCOC(=O)COc1ccc(/C=C/C2=C3c4ccccc4C(c4[nH]c(C)cc4C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(OCC(=O)OCC)cc4)cc(C)c32)cc1,CCCCCC,674.0
CCOC(=O)COc1ccc(/C=C/C2=C3c4ccccc4C(c4[nH]c(C)cc4C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(OCC(=O)OCC)cc4)cc(C)c32)cc1,CO,668.0
CCOC(=O)COc1ccc(/C=C/C2=C3c4ccccc4C(c4[nH]c(C)cc4C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(OCC(=O)OCC)cc4)cc(C)c32)cc1,Cc1ccccc1,683.0
CCOC(=O)COc1ccc(/C=C/C2=C3c4ccccc4C(c4[nH]c(C)cc4C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(OCC(=O)OCC)cc4)cc(C)c32)cc1,ClCCl,676.0
CCOC(=O)COc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=C(c4[nH]c(C)cc4C)c4ccccc4C2=C3)cc1,C1CCOC1,679.0
CCOC(=O)COc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=C(c4[nH]c(C)cc4C)c4ccccc4C2=C3)cc1,CC#N,670.0
CCOC(=O)COc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=C(c4[nH]c(C)cc4C)c4ccccc4C2=C3)cc1,CCCCCC,679.0
CCOC(=O)COc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=C(c4[nH]c(C)cc4C)c4ccccc4C2=C3)cc1,CO,671.0
CCOC(=O)COc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=C(c4[nH]c(C)cc4C)c4ccccc4C2=C3)cc1,Cc1ccccc1,678.0
CCOC(=O)COc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=C(c4[nH]c(C)cc4C)c4ccccc4C2=C3)cc1,ClCCl,680.0
CCOC(=O)COc1ccc(C(c2c(C)[nH]c3ccccc23)c2c(C)[nH]c3ccccc23)cc1OC,CC#N,290.0
CCOC(=O)COc1ccc(C(c2c(C)[nH]c3ccccc23)c2c(C)[nH]c3ccccc23)cc1OC,CO,291.0
CCOC(=O)COc1ccc(C(c2c(C)[nH]c3ccccc23)c2c(C)[nH]c3ccccc23)cc1OC,O,290.0
CCOC(=O)c1[nH]c(C)c(/C=C/C2=[N+]3C(=C(c4cc(OC)cc(OC)c4)c4c(C)c(I)c(/C=C/c5c(C)[nH]c(C(=O)OCC)c5C)n4[B-]3(F)F)C(C)=C2I)c1C,C1CCOC1,685.0
CCOC(=O)c1[nH]c(C)c(/C=C/C2=[N+]3C(=C(c4cc(OC)cc(OC)c4)c4c(C)c(I)c(/C=C/c5c(C)[nH]c(C(=O)OCC)c5C)n4[B-]3(F)F)C(C)=C2I)c1C,CS(C)=O,693.0
CCOC(=O)c1[nH]c(C)c(/C=C/C2=[N+]3C(=C(c4cc(OC)cc(OC)c4)c4c(C)c(I)c(/C=C/c5c(C)[nH]c(C(=O)OCC)c5C)n4[B-]3(F)F)C(C)=C2I)c1C,ClCCl,678.0
CCOC(=O)c1c(-c2c(Cl)c3cc(C)ccc3oc2=O)nn(-c2cccc(C)c2)c1C(=O)OCC,ClCCl,331.0
CCOC(=O)c1c(-c2cc3c(ccc4ccccc43)oc2=O)nn(-c2ccccc2)c1C(=O)OCC,ClCCl,361.0
CCOC(=O)c1c(-c2cc3ccc(OCC=C(C)C)cc3oc2=O)nn(-c2ccccc2)c1C(=O)OCC,ClCCl,341.0
CCOC(=O)c1c(/N=C/c2cccs2)sc(/N=C/c2cccs2)c1C(=O)OCC,CC#N,440.0
CCOC(=O)c1c(C(=O)OC)c(-c2cc3cc(OC)ccc3oc2=O)nn1-c1ccccc1,ClCCl,351.0
CCOC(=O)c1c(C(=O)OCC)c2cc(-c3ccncc3)ccn2c1C(=O)c1ccc(Br)cc1,CO,254.4
CCOC(=O)c1c(N)sc(N)c1C(=O)OCC,CC#N,305.0
CCOC(=O)c1c(NC(C)(C)C)oc(-c2ccc(-c3ccccc3)cc2)c1C(=O)OCC,CC#N,355.0
CCOC(=O)c1c2c(c3n1CCCn1c(C(=O)OCC)c4c(c1-3)-c1ccc(C(=O)N(C)C)c3c(C(=O)N(C)C)ccc-4c13)-c1ccc(C(=O)N(C)C)c3c(C(=O)N(C)C)ccc-2c13,CO,431.0
CCOC(=O)c1c2c(c3n1CCCn1c(C(=O)OCC)c4c(c1-3)-c1ccc(C(=O)N(C)C)c3c(C(=O)N(C)C)ccc-4c13)-c1ccc(C(=O)N(C)C)c3c(C(=O)N(C)C)ccc-2c13,Cc1ccccc1,431.0
CCOC(=O)c1c2c(c3n1CCCn1c(C(=O)OCC)c4c(c1-3)-c1ccc(C(=O)N(C)C)c3c(C(=O)N(C)C)ccc-4c13)-c1ccc(C(=O)N(C)C)c3c(C(=O)N(C)C)ccc-2c13,ClCCl,431.0
CCOC(=O)c1c2c3c(cccc3c3cc4c(cc13)[Si](C)(C)O[Si]4(C)C)N(C)C2=O,CC#N,376.0
CCOC(=O)c1cc(C(=O)OCC)c2c(C)ccc(OC(=O)OC(C)(C)C)c2n1,CCO,312.0
CCOC(=O)c1cc(C(=O)OCC)c2cc(N(C)C)ccc2n1,CCO,443.0
CCOC(=O)c1cc(C(=O)OCC)c2cc(N(CC)CC)ccc2n1,CCO,453.0
CCOC(=O)c1cc2c3ccccc3n(Cc3ccccc3)c2c(-c2nc3ccccc3[nH]2)n1,ClC(Cl)Cl,376.33
CCOC(=O)c1cc2cc(C(C)=O)cn2cc1-c1ccc2ccccc2c1,ClCCl,261.0
CCOC(=O)c1cc2cc3c(cc2oc1=O)N(CCCC(=O)O)C(C)(C)CC3C,O,436.0
CCOC(=O)c1cc2ccc3ccccc3c2c(C#N)c1N,Cc1ccccc1,435.0
CCOC(=O)c1ccc(-c2c3cc(C(C)=O)ccc3nn2C)o1,CC#N,364.0
CCOC(=O)c1ccc(-c2c3cc(C(C)=O)ccc3nn2C)o1,ClCCl,365.0
CCOC(=O)c1ccc(C(=O)OCC)c(N2CCC2)c1,ClCCl,366.0
CCOC(=O)c1ccc(C2CC(c3cccc4ccccc34)=NN2c2ccc(C)cc2)cc1,ClCCl,385.0
CCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2c1oc1cc(N)ccc12,CCO,590.0
CCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2c1oc1cc(N)ccc12,ClCCl,587.0
CCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2c1oc1cc(N)ccc12,O,588.0
CCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2cc(N(CC)CC)ccc12,CC#N,555.0
CCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2cc(N(CC)CC)ccc12,CCO,541.0
CCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2cc(N(CC)CC)ccc12,CN(C)C=O,560.0
CCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2cc(N(CC)CC)ccc12,O,552.0
CCO[Si](OCC)(OCC)c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)s2)s1,C1CCOC1,402.0
CCOc1cc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)ccc1O,CS(C)=O,571.0
CCOc1cc2c(cc1/C=C/C(=C(C#N)C#N)c1ccccc1)c1ccccc1n2CC,C1CCOC1,462.0
CCOc1cc2c(cc1/C=C/C(=C(C#N)C#N)c1ccccc1)c1ccccc1n2CC,CC#N,462.0
CCOc1cc2c(cc1/C=C/C(=C(C#N)C#N)c1ccccc1)c1ccccc1n2CC,CCO,468.0
CCOc1cc2c(cc1/C=C/C(=C(C#N)C#N)c1ccccc1)c1ccccc1n2CC,CCOC(C)=O,458.0
CCOc1cc2c(cc1/C=C/C(=C(C#N)C#N)c1ccccc1)c1ccccc1n2CC,CN(C)C=O,471.0
CCOc1cc2c(cc1/C=C/C(=C(C#N)C#N)c1ccccc1)c1ccccc1n2CC,CS(C)=O,476.0
CCOc1cc2c(cc1/C=C/C(=C(C#N)C#N)c1ccccc1)c1ccccc1n2CC,Cc1ccccc1,462.0
CCOc1cc2c(cc1/C=C/C(=C(C#N)C#N)c1ccccc1)c1ccccc1n2CC,ClC(Cl)Cl,470.0
CCOc1cc2c(cc1/C=C/C(=C(C#N)C#N)c1ccccc1)c1ccccc1n2CC,ClCCl,468.0
CCOc1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)c3nsnc23)cc1,Cc1ccccc1,417.0
CCOc1nc(-c2ccco2)cc(-c2ccc(N3CCOCC3)cc2)c1C#N,ClC(Cl)Cl,329.5
CCSc1cc2c(cc1C=C(C#N)C(=O)O)Sc1ccccc1N2c1ccc(OC)cc1,ClCCl,492.0
CC[N+](CC)=c1ccc2cc3oc4cc(N)ccc4c3oc-2c1,CCO,588.0
CC[N+](CC)=c1ccc2cc3oc4cc(N)ccc4c3oc-2c1,ClCCl,597.0
CC[N+](CC)=c1ccc2cc3oc4cc(N)ccc4c3oc-2c1,O,583.0
CC[N+]1(CC)CN2C(=N1)C(C(=O)O)=Cc1c2ccc2ccccc12,O,406.0
CC[NH+](CC)c1ccc(-c2nc3c4ccccc4n(C)c3nc2-c2ccc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)cc2)cc1,C1CCOC1,382.2222222
CC[PH](CC)(CC)[Pt](C#Cc1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1)(C#Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)O)s2)s1)[PH](CC)(CC)CC,ClCCl,511.0
CC[Si](C#Cc1c2c(=O)c3ccccc3c2c(C#C[Si](CC)(CC)CC)c2c(=O)c3ccccc3c12)(CC)CC,ClC(Cl)Cl,522.0
CC[n+]1c(C=C2C(=O)C(C=C3N(C)c4ccc(Cl)cc4C3(C)C)=C2[O-])[se]c2ccccc21,CO,644.0
CC[n+]1c(C=C2C(=O)C(C=C3N(C)c4ccc(Cl)cc4C3(C)C)=C2[O-])[se]c2ccccc21,ClC(Cl)Cl,655.0
CC[n+]1c(C=C2C(=O)C(C=C3N(C)c4ccc(Cl)cc4C3(C)C)=C2[O-])[se]c2ccccc21,ClCCl,659.0
CC[n+]1c(C=Cc2cnc(N=Nc3cc4c5c(c3)CCCN5CCC4)s2)sc2ccccc21,CO,756.0
CCc1c(C)[nH]c(C2=[N+]3C(=C(C)c4c(C)c(CC)c(C)n4[B-]3(F)F)c3ccccc32)c1C,C1CCOC1,618.0
CCc1c(C)[nH]c(C2=[N+]3C(=C(C)c4c(C)c(CC)c(C)n4[B-]3(F)F)c3ccccc32)c1C,CC#N,610.0
CCc1c(C)[nH]c(C2=[N+]3C(=C(C)c4c(C)c(CC)c(C)n4[B-]3(F)F)c3ccccc32)c1C,CCCCCC,620.0
CCc1c(C)[nH]c(C2=[N+]3C(=C(C)c4c(C)c(CC)c(C)n4[B-]3(F)F)c3ccccc32)c1C,CO,613.0
CCc1c(C)[nH]c(C2=[N+]3C(=C(C)c4c(C)c(CC)c(C)n4[B-]3(F)F)c3ccccc32)c1C,Cc1ccccc1,625.0
CCc1c(C)[nH]c(C2=[N+]3C(=C(C)c4c(C)c(CC)c(C)n4[B-]3(F)F)c3ccccc32)c1C,ClCCl,619.0
CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(C=C3C=Cc4ccccc43)C=CC1=C2C,C1CCCCC1,591.0
CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(c3ccc[nH]3)c3ccccc3C1=C2,C1CCOC1,613.0
CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(c3ccc[nH]3)c3ccccc3C1=C2,CC#N,608.0
CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(c3ccc[nH]3)c3ccccc3C1=C2,CCCCCC,614.0
CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(c3ccc[nH]3)c3ccccc3C1=C2,CO,609.0
CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(c3ccc[nH]3)c3ccccc3C1=C2,Cc1ccccc1,620.0
CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(c3ccc[nH]3)c3ccccc3C1=C2,ClCCl,616.0
CCc1c(CC)c(CC)n2c(c1CC)c(C=O)c1cc(Br)ccc12,CC#N,405.0
CCc1c(CC)c(CC)n2c(c1CC)c(C=O)c1cc(Br)ccc12,CS(C)=O,408.0
CCc1ccc(-c2c(-c3ccc(OC)cc3)[o+]c3c(-c4ccc(OC)cc4)c(-c4ccc(OC)cc4)c4cccc5ccc2c3c54)cc1,ClCCl,546.0
CCc1ccc(N(c2ccc(CC)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)c4nc(-c5ccccc5)c(-c5ccccc5)nc34)cc2)cc1,CN(C)C=O,471.0
CCc1ccccc1/C=C/c1cc(C)c2n1[B-](F)(F)[N+]1=CC=CC1=C2,CS(C)=O,554.0
CCc1nccnc1C(=O)C=Cc1ccc(F)cc1,CCO,310.0
CCc1nnc(N=Nc2c(-c3ccccc3)[nH]c3ccccc23)s1,CS(C)=O,499.0
CCl,CCCCCC,173.0
CCn1c2ccc(-c3ccc(-c4cccs4)s3)cc2c2cc(-c3ccc(-c4cccs4)s3)ccc21,ClCCl,380.0
CCn1c2ccc(-c3cccs3)cc2c2cc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)s3)ccc21,ClCCl,372.0
CCn1c2ccc(C=C(C#N)C(=O)O)cc2c2cc(-c3ccc(C=C(c4ccc(N(C)C)cc4)c4ccc(N(C)C)cc4)cc3)ccc21,ClC(Cl)Cl,374.0
CCn1c2ccccc2c2c1c1c3ccccc3n(CC)c1c1c3cc(-c4ccc(/C=C5/SC(=S)N(CC(=O)O)C5=O)cc4)ccc3n(CC)c21,C1CCOC1,456.0
CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(N4CCCCC4)n3)ccc21,C1CCOC1,367.0
CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(N4CCCCC4)n3)ccc21,CCOC(C)=O,368.0
CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(N4CCCCC4)n3)ccc21,CN(C)C=O,370.0
CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(N4CCCCC4)n3)ccc21,Cc1ccccc1,369.0
CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(N4CCCCC4)n3)ccc21,ClCCl,371.0
CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(SC)n3)ccc21,C1CCOC1,371.0
CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(SC)n3)ccc21,CCOC(C)=O,369.0
CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(SC)n3)ccc21,CN(C)C=O,374.0
CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(SC)n3)ccc21,Cc1ccccc1,370.0
CCn1c2ccccc2c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5CC)nc(SC)n3)ccc21,ClCCl,370.0
CCn1c2ccccc2c2cc(-c3ccc(/C=C(\C#N)C(=O)O)cc3)ccc21,CCO,362.0
CCn1c2ccccc2c2cc(-c3ccc(C=C4C(=O)NC(=O)NC4=O)cc3)ccc21,CCO,489.0
CCn1c2ccccc2c2cc(/C=C(\C#N)C(=O)O)ccc21,CC#N,385.0
CCn1c2ccccc2c2cc(/C=C(\C#N)c3ccccc3)ccc21,ClCCl,374.0
CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc4c(c3)c3cc(C(=O)/C=C/c5ccc6c(c5)c5ccccc5n6CC)ccc3n4CC)ccc21,C1CCCCC1,372.0
CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc4c(c3)c3cc(C(=O)/C=C/c5ccc6c(c5)c5ccccc5n6CC)ccc3n4CC)ccc21,C1CCOC1,385.0
CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc4c(c3)c3cc(C(=O)/C=C/c5ccc6c(c5)c5ccccc5n6CC)ccc3n4CC)ccc21,CC#N,382.0
CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc4c(c3)c3cc(C(=O)/C=C/c5ccc6c(c5)c5ccccc5n6CC)ccc3n4CC)ccc21,CC(C)=O,382.0
CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc4c(c3)c3cc(C(=O)/C=C/c5ccc6c(c5)c5ccccc5n6CC)ccc3n4CC)ccc21,CCO,395.0
CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc4c(c3)c3cc(C(=O)/C=C/c5ccc6c(c5)c5ccccc5n6CC)ccc3n4CC)ccc21,CCOCC,378.0
CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc4c(c3)c3cc(C(=O)/C=C/c5ccc6c(c5)c5ccccc5n6CC)ccc3n4CC)ccc21,CN(C)C=O,390.0
CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc4c(c3)c3cc(C(=O)/C=C/c5ccc6c(c5)c5ccccc5n6CC)ccc3n4CC)ccc21,CO,398.0
CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc4c(c3)c3cc(C(=O)/C=C/c5ccc6c(c5)c5ccccc5n6CC)ccc3n4CC)ccc21,CS(C)=O,395.0
CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc4c(c3)c3cc(C(=O)/C=C/c5ccc6c(c5)c5ccccc5n6CC)ccc3n4CC)ccc21,ClC(Cl)(Cl)Cl,379.0
CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc4c(c3)c3cc(C(=O)/C=C/c5ccc6c(c5)c5ccccc5n6CC)ccc3n4CC)ccc21,ClC(Cl)Cl,391.0
CCn1c2ccccc2c2cc(/C=C/C3=C(S(=O)(=O)c4ccccc4)C(=C(C#N)C#N)OC3(C)C)ccc21,C1CCOC1,498.0
CCn1c2ccccc2c2cc(/C=C/C3=C(S(=O)(=O)c4ccccc4)C(=C(C#N)C#N)OC3(C)C)ccc21,CC(C)=O,500.0
CCn1c2ccccc2c2cc(/C=C/C3=C(S(=O)(=O)c4ccccc4)C(=C(C#N)C#N)OC3(C)C)ccc21,CS(C)=O,519.0
CCn1c2ccccc2c2cc(/C=C/C3=C(S(=O)(=O)c4ccccc4)C(=C(C#N)C#N)OC3(C)C)ccc21,ClC(Cl)Cl,506.0
CCn1c2ccccc2c2cc(/C=C/C3=C(S(=O)(=O)c4ccccc4)C(=C(C#N)C#N)OC3(C)C)ccc21,ClCCl,506.0
CCn1c2ccccc2c2cc(/C=C/c3cc(/C=C/c4ccc5c(c4)c4ccccc4n5CC)[n+](CCCS(=O)(=O)[O-])c(/C=C/c4ccc5c(c4)c4ccccc4n5CC)c3)ccc21,C1CCOC1,464.0
CCn1c2ccccc2c2cc(/C=C/c3cc(/C=C/c4ccc5c(c4)c4ccccc4n5CC)[n+](CCCS(=O)(=O)[O-])c(/C=C/c4ccc5c(c4)c4ccccc4n5CC)c3)ccc21,CC#N,458.0
CCn1c2ccccc2c2cc(/C=C/c3cc(/C=C/c4ccc5c(c4)c4ccccc4n5CC)[n+](CCCS(=O)(=O)[O-])c(/C=C/c4ccc5c(c4)c4ccccc4n5CC)c3)ccc21,CC(C)=O,462.0
CCn1c2ccccc2c2cc(/C=C/c3cc(/C=C/c4ccc5c(c4)c4ccccc4n5CC)[n+](CCCS(=O)(=O)[O-])c(/C=C/c4ccc5c(c4)c4ccccc4n5CC)c3)ccc21,Cc1ccccc1,466.0
CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)ncn3)ccc21,C1CCOC1,382.0
CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)ncn3)ccc21,CCOC(C)=O,379.0
CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)ncn3)ccc21,CN(C)C=O,386.0
CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)ncn3)ccc21,Cc1ccccc1,383.0
CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)ncn3)ccc21,ClCCl,386.0
CCn1c2ccccc2c2cc(C(=O)OC)nc(-c3nc4ccccc4[nH]3)c21,ClC(Cl)Cl,384.27
CCn1c2ccccc2c2cc(N3c4ccccc4Sc4cc(/C=C(/C#N)C(=O)O)ccc43)ccc21,ClCCl,471.0
CCn1c2ccccc2c2ccccc21,CCCCCCC,525.0
CN(C)C(=O)/C=C/c1nc2c(c(=O)n(C)c(=O)n2C)n1C,ClCCl,348.0
CN(C)C(=O)c1ccc2c3c(=O)n4c(c=3c3ccc(C(=O)N(C)C)c1c23)=c1c2c3ccc(C(=O)N(C)C)c5c(C(=O)N(C)C)ccc(c=2c(=O)n1C4)c53,Cc1ccccc1,617.0
CN(C)C1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,CCOC(C)=O,399.0
CN(C)C1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,CO,396.0
CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,CC#N,312.0
CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,CO,311.0
CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,O,307.0
CN(C)c1cc2oc3cc(N(C)C)c(F)cc3c(=O)c2cc1F,CCO,378.0
CN(C)c1ccc(-c2c3ccc(=[NH2+])cc-3n(C)c3cc(N(C)C)ccc23)cc1,O,480.0
CN(C)c1ccc(-c2c3ccc(=[NH2+])cc-3oc3cc(N)ccc23)cc1,O,500.0
CN(C)c1ccc(-c2cc(-c3ccccc3)nn2C)cc1,ClCCl,280.0
CN(C)c1ccc(-c2ccc(-c3ccc(N(C)C)cc3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)cc1,ClC(Cl)Cl,443.0
CN(C)c1ccc(-c2cnc(-c3ccc(S(=O)(=O)NCCC(=O)ON4C(=O)C=CC4=O)cc3)o2)cc1,CO,373.0
CN(C)c1ccc(-c2cnc(-c3ccc(S(=O)(=O)NCCN)cc3)o2)cc1,CO,374.0
CN(C)c1ccc(-c2nc(-c3ccc(-c4ccc(C#N)cc4)cc3)[nH]c2-c2ccc(N(C)C)cc2)cc1,ClCCl,391.0
CN(C)c1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2-c2ccc(N(C)C)cc2)cc1,ClCCl,457.0
CN(C)c1ccc(-c2nc3cccnc3[nH]2)cc1,C1CCCCC1,351.0
CN(C)c1ccc(-c2nc3cccnc3[nH]2)cc1,CC#N,346.0
CN(C)c1ccc(-c2ncnc3ccccc23)cc1,ClCCl,416.0
CN(C)c1ccc(-n2nc(-c3cccc(Cl)c3)ccc2=O)cc1,CS(C)=O,382.0
CN(C)c1ccc(-n2nc(Cl)ccc2=O)cc1,CS(C)=O,304.0
CN(C)c1ccc(/C=C/c2cc[n+](CCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,CC#N,488.0000781
CN(C)c1ccc(/C=C/c2cc[n+](CCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,CC(C)=O,483.9989933
CN(C)c1ccc(/C=C/c2cc[n+](CCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,CC(C)O,498.999506
CN(C)c1ccc(/C=C/c2cc[n+](CCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,CC1COC(=O)O1,484.9989815
CN(C)c1ccc(/C=C/c2cc[n+](CCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,CCO,500.0
CN(C)c1ccc(/C=C/c2cc[n+](CCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,CN(C)C=O,484.9989815
CN(C)c1ccc(/C=C/c2cc[n+](CCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,CO,494.0003656
CN(C)c1ccc(/C=C/c2cc[n+](CCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,CS(C)=O,484.9989815
CN(C)c1ccc(/C=C/c2cc[n+](CCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,ClC(Cl)Cl,500.999494
CN(C)c1ccc(/C=C/c2cc[n+](CCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,O,466.0005965
CN(C)c1ccc(/C=C/c2cc[n+](CCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1,c1ccncc1,498.0005279
CN(C)c1ccc(/C=C/c2ccc([N+](=O)[O-])c(O)c2)cc1,C1COCCO1,448.0
CN(C)c1ccc(/C=C/c2cnccn2)cc1,ClCCl,389.0
CN(C)c1ccc(/C=C/c2nc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)n2)cc1,ClCCl,409.0
CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,C1CCOC1,453.0
CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,C1COCCO1,452.0
CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CC#N,460.0
CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CC(C)=O,456.0
CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CC(C)O,473.0
CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CCO,478.0
CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CCOC(C)=O,450.0
CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CN(C)C=O,466.0
CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CO,479.0
CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CS(C)=O,474.0
CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,Cc1ccccc1,452.0
CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,ClC(Cl)(Cl)Cl,447.0
CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,ClC(Cl)Cl,468.0
CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,ClCCl,464.0
CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,S=C=S,463.0
CN(C)c1ccc(/C=c2\o/c(=C\c3ccc(Cl)cc3)c3ccccc23)cc1,ClCCl,413.0
CN(C)c1ccc(/C=c2\o/c(=C\c3ccc(F)cc3)c3cc(F)ccc23)cc1,ClCCl,396.0
CN(C)c1ccc(C#Cc2ccc(-c3cc(N(C)C)c4ccccc4c3)cc2)cc1,ClCCl,352.0
CN(C)c1ccc(C(=O)Nc2ccccc2)cc1,C1CCCCC1,307.0
CN(C)c1ccc(C(=O)Nc2ccccc2)cc1,C1CCOC1,311.0
CN(C)c1ccc(C(=O)Nc2ccccc2)cc1,CC#N,314.0
CN(C)c1ccc(C(=O)Nc2ccccc2)cc1,CCOCC,307.0
CN(C)c1ccc(C(C=C(C#N)C#N)=c2ccc(=C(C#N)C#N)cc2)cc1,ClCCl,759.0
CN(C)c1ccc(C2=C(C#N)C(OCC(O)CO)=NC23C(C#N)=C(N)Oc2ccccc23)cc1,C1CCOC1,413.0
CN(C)c1ccc(C2=C(C#N)C(OCC(O)CO)=NC23C(C#N)=C(N)Oc2ccccc23)cc1,CS(C)=O,427.0
CN(C)c1ccc(C2=C3C=C(c4ccc(C=C(C#N)C#N)cc4)S[C@]34c3ccccc3[C@H]2c2ccccc24)cc1,ClCCl,558.0
CN(C)c1ccc(C2=CC(=O)NC2=O)cc1,CCO,534.0
CN(C)c1ccc(C2=CC(c3ccccc3)=[N+]3C2=Nc2c(-c4ccc(N(C)C)cc4)cc(-c4ccccc4)n2[B-]3(F)F)cc1,Cc1ccccc1,763.0
CN(C)c1ccc(C2=Cc3ccc4ccccc4[n+]3[B-](F)(F)O2)cc1,C1CCOC1,472.0
CN(C)c1ccc(C2=Cc3ccc4ccccc4[n+]3[B-](F)(F)O2)cc1,C1COCCO1,472.0
CN(C)c1ccc(C2=Cc3ccc4ccccc4[n+]3[B-](F)(F)O2)cc1,CC#N,468.0
CN(C)c1ccc(C2=Cc3ccc4ccccc4[n+]3[B-](F)(F)O2)cc1,CC1CCCCC1,473.0
CN(C)c1ccc(C2=Cc3ccc4ccccc4[n+]3[B-](F)(F)O2)cc1,CCOC(C)=O,468.0
CN(C)c1ccc(C2=Cc3ccc4ccccc4[n+]3[B-](F)(F)O2)cc1,CCOCC,467.0
CN(C)c1ccc(C2=Cc3ccc4ccccc4[n+]3[B-](F)(F)O2)cc1,CN(C)C=O,474.0
CN(C)c1ccc(C2=Cc3ccc4ccccc4[n+]3[B-](F)(F)O2)cc1,CO,468.0
CN(C)c1ccc(C2=Cc3ccc4ccccc4[n+]3[B-](F)(F)O2)cc1,COC(C)=O,468.0
CN(C)c1ccc(C2=Cc3ccc4ccccc4[n+]3[B-](F)(F)O2)cc1,ClC(Cl)Cl,477.0
CN(C)c1ccc(C2=Cc3ccccc3P2(=O)c2ccccc2)cc1,ClCCl,413.0
CN(C)c1ccc(C2=Nc3sc4ccccc4[n+]3[B-](F)(F)O2)cc1,C1CCOC1,424.0
CN(C)c1ccc(C2=Nc3sc4ccccc4[n+]3[B-](F)(F)O2)cc1,CC#N,421.0
CN(C)c1ccc(C2=Nc3sc4ccccc4[n+]3[B-](F)(F)O2)cc1,CC(C)=O,425.0
CN(C)c1ccc(C2=Nc3sc4ccccc4[n+]3[B-](F)(F)O2)cc1,Cc1ccccc1,421.0
CN(C)c1ccc(C2=Nc3sc4ccccc4[n+]3[B-](F)(F)O2)cc1,ClCCl,425.0
CN(C)c1ccc(C=C2Cc3ccccc3C2=O)cc1,CC#N,427.0
CN(C)c1ccc(C=C2Cc3ccccc3C2=O)cc1,CCOC(C)=O,413.0
CN(C)c1ccc(C=C2Cc3ccccc3C2=O)cc1,Cc1ccccc1,411.0
CN(C)c1ccc(C=Cc2cc(C=Cc3ccc(N(C)C)cc3)nc(I)n2)cc1,ClCCl,450.0
CN(C)c1ccc(C=O)cc1,CCO,352.0
CN(C)c1ccc(C=c2c(O)c3ccccc3c3c2=Nc2ccccc2N3)cc1,C1CCOC1,571.0
CN(C)c1ccc(N=Nc2ccc(C(=O)O)cc2)cc1,CCO,428.0
CN(C)c1ccc2c(-c3ccc(Br)cc3)c3ccc(=[N+](C)C)cc-3oc2c1,CCO,556.0
CN(C)c1ccc2c(-c3ccc(C(=O)O)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1,CO,542.0
CN(C)c1ccc2c(-c3cccc(F)c3)c3ccc(=[NH2+])cc-3n(C)c2c1,O,485.0
CN(C)c1ccc2c(c1)C(C)(C)c1cc(C=C(C#N)C#N)ccc1-2,C1COCCO1,467.0
CN(C)c1ccc2c(c1)C(C)(C)c1cc(C=C(C#N)C#N)ccc1-2,CC#N,474.0
CN(C)c1ccc2c(c1)C(C)(C)c1cc(C=C(C#N)C#N)ccc1-2,CCO,476.0
CN(C)c1ccc2c(c1)C(C)(C)c1cc(C=C(C#N)C#N)ccc1-2,CS(C)=O,488.0
CN(C)c1ccc2c(c1)C(C)(C)c1cc(C=C(C#N)C#N)ccc1-2,Cc1ccccc1,474.0
CN(C)c1ccc2c(c1)C(C)(C)c1cc(C=C(C#N)C#N)ccc1-2,ClC(Cl)Cl,486.0
CN(C)c1ccc2c(c1)C(C)(C)c1cc(C=C(C#N)C#N)ccc1-2,O,501.0
CN(C)c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,C1CCOC1,390.0
CN(C)c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,CC#N,387.6666666666667
CN(C)c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,CCCCCC,390.0
CN(C)c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,CN(C)C=O,390.0
CN(C)c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,CO,390.0
CN(C)c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,Cc1ccccc1,390.3333333333333
CN(C)c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,ClCCl,390.0
CN(C)c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,O,386.0
CN(C)c1ccc2c(c1)c1cccc3c(-c4ccccc4)nc2n31,CO,469.0
CN(C)c1ccc2c3c(ccc2c1)CCCC3=O,C1CCCCC1,397.0
CN(C)c1ccc2c3c(ccc2c1)CCCC3=O,CC#N,396.0
CN(C)c1ccc2c3c(ccc2c1)CCCC3=O,CC(C)O,406.0
CN(C)c1ccc2c3c(ccc2c1)CCCC3=O,CCC(C)=O,398.0
CN(C)c1ccc2c3c(ccc2c1)CCCC3=O,CCO,406.0
CN(C)c1ccc2c3c(ccc2c1)CCCC3=O,CCOC(C)=O,396.0
CN(C)c1ccc2c3c(ccc2c1)CCCC3=O,CS(C)=O,407.0
CN(C)c1ccc2c3c(ccc2c1)CCCC3=O,Cc1ccccc1,403.0
CN(C)c1ccc2c3c(ccc2c1)CCCC3=O,ClCCl,398.0
CN(C)c1ccc2c3c(ccc2c1)CCCC3=O,Clc1ccccc1,402.0
CN(C)c1ccc2cc3c(cc2c1)C(=O)CC3,ClCCl,425.0
CN(C)c1ccc2nn(C)c(-c3ccc(C=O)s3)c2c1,ClCCl,436.0
CN(C)c1ccccc1C=O,CCCCO,415.0
CN(C)c1ccccc1C=O,ClCCl,415.0
CN(CCCC(=O)O)C(=O)c1ccccc1-c1c2cc3c(cc2[o+]c2cc4c(cc12)C(CS(=O)(=O)O)=CC(C)(C)N4CCC[SH](N)(=O)O)N(CCCS(N)(=O)=O)C(C)(C)C=C3CS(=O)(=O)O,O,600.0
CN(CCCC(=O)O)C(=O)c1ccccc1-c1c2ccc(NCCCS(=O)(=O)[O-])cc2[o+]c2cc(NCCCS(=O)(=O)[O-])ccc12,O,533.0
CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc1,CS(C)=O,430.0
CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)cc1,CS(C)=O,430.0
CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1,CS(C)=O,429.0
CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3c(F)cc(F)cc3F)cc2)cc1,CS(C)=O,433.0
CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)cc2)cc1,CS(C)=O,430.0
CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1,CS(C)=O,431.0
CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc(Cl)nc3)cc2)cc1,CS(C)=O,431.0
CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc(F)cc3C(F)(F)F)cc2)cc1,CS(C)=O,431.0
CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cncc(Br)c3)cc2)cc1,CS(C)=O,431.0
CN(CCO[Si](C)(C)C(C)(C)C)c1ccc(-c2ccc(/C=C(\C#N)C(=O)O)c3nsnc23)cc1,C1CCOC1,524.0
CN(CCO[Si](C)(C)C(C)(C)C)c1ccc(-c2ccc(/C=C(\C#N)C(=O)O)s2)cc1,C1CCOC1,470.0
CN(c1ccccc1)c1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccc(N(C)c6ccccc6)cc5)ccc5ccc2c3c54)cc1,ClCCl,435.0
CN1/C(=C/C=C(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccccc2)C(C)(C)c2ccccc21,CCO,640.0
CN1/C(=C/C=C(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccccc2)C(C)(C)c2ccccc21,CO,637.0
CN1/C(=C/C=C(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccccc2)C(C)(C)c2ccccc21,CS(C)=O,645.0
CN1/C(=C/C=C(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccccc2)C(C)(C)c2ccccc21,O,634.0
CN1C(=CC2=C([O-])C(=CC3=[N+](C)c4ccccc4C3(C)C)C2=O)C(C)(C)c2ccccc21,ClC(Cl)Cl,636.25
CN1C(=CC2=C([S-])C(=CC3=[N+](C)c4ccccc4C3(C)C)C2=O)C(C)(C)c2ccccc21,ClC(Cl)Cl,650.0
CN1C(=CC=C2C=CC(=O)c3ncccc32)C=Cc2ccccc21,C1CCOC1,611.0
CN1C(=CC=CC=C2c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])C(C)(C)c2ccccc21,Cc1ccccc1,696.0
CN1C(=CN=Nc2ccc(C=C(C#N)C#N)cc2)Sc2ccccc21,CN(C)C=O,484.0
CN1C(=Cc2c([O-])c(=O)/c2=N\C#N)C(C)(C)c2ccccc21,CCO,436.0
CN1CCCc2cc(C3=Cc4cccc[n+]4[B-](F)(F)O3)ccc21,ClC(Cl)Cl,438.0
CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CC#N,310.0
CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,CO,310.0
CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,O,308.0
CN1c2cc3[o+]c4cc5c(cc4c(-c4ccc(C(=O)O)cc4C(=O)O)c3cc2C(CS(=O)(=O)[O-])=CC1(C)C)C(CS(=O)(=O)O)=CC(C)(C)N5C,O,591.0
CN1c2cc3c(cc2-c2sc4ccccc4c2C1(C)c1ccccc1)C(c1ccc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-])=c1cc2c(cc1O3)=[N+](C)C(C)(c1ccccc1)c1c-2sc2ccccc12,CO,613.0
CN1c2ccc([N+](=O)[O-])cc2C(C)(C)C12C=Cc1c(c(-c3nc4ccccc4s3)cc3ccccc13)O2,CC(C)=O,336.0
CN1c2ccccc2P(=O)(c2ccccc2)c2c1c1ccccc1c1ccccc21,ClCCl,372.0
CN1c2ccccc2Sc2c(C=Nc3ccc4c(c3)Cc3ccccc3-4)cccc21,ClCCl,351.0
CNc1ccc(-c2c3cc(F)c(=O)cc-3oc3cc(O)c(F)cc23)c(C(=O)O)c1N,O,495.0
CNc1ncnc2cc(-c3ccccc3)n3nc(-c4ccc(N(C)C)cc4)cc3c12,ClCCl,348.0
COC#C/C1=c2\cc/c3n2[Zn]n2c(ccc2/C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)=C2/C=CC1=N2)/C(C#Cc1ccc(C(=O)O)cc1)=C1/C=CC(=N1)/C=3c1cc(C(C)(C)C)cc(C(C)(C)C)c1,C1CCOC1,452.0
COC(=O)/C(C#N)=c1\s/c(=c2/s/c(=C(/C#N)C(=O)OC)c3cc(-c4ccc(C)cc4)sc23)c2sc(-c3ccc(C)cc3)cc12,Cc1ccccc1,612.0
COC(=O)/C=C/C=C/C1=CC2=C(c3c(C)cc(C)cc3C)c3cc(/C=C/C=C/C(=O)OC)cn3[B-](F)(F)[N+]2=C1,ClCCl,633.0
COC(=O)C(C)(C)C1Oc2c(Br)cc(Br)cc2C(=O)/C1=C\O,ClCCl,371.0
COC(=O)C(NC(=O)OC(C)(C)C)c1ccc2oc(-c3ccc(OC(=O)c4ccccc4)cc3O)nc2c1,CC#N,334.0
COC(=O)C(NC(=O)OC(C)(C)C)c1ccc2oc(-c3ccc(OC(=O)c4ccccc4)cc3O)nc2c1,CC1CCCCC1,338.0
COC(=O)C(NC(=O)OC(C)(C)C)c1ccc2oc(-c3ccc(OC(=O)c4ccccc4)cc3O)nc2c1,CO,334.0
COC(=O)C1(C(=O)OC)Cc2c(C#Cc3ccccc3)c(-c3ccccc3)c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3c2C1,C1CCOC1,339.516129
COC(=O)C1CC(C#N)=C2C=CC=NN21,C1CCCCC1,508.0
COC(=O)CCCC(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1,CS(C)=O,429.0
COC(=O)C[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)N[C@@H](CC1=CCc2ccccc21)C(=O)OC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C,CC#N,280.0
COC(=O)C[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)N[C@@H](CC1=CCc2ccccc21)C(=O)OC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C,CCOC(C)=O,280.0
COC(=O)C[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)N[C@@H](CC1=CCc2ccccc21)C(=O)OC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C,CO,280.0
COC(=O)[C@H](CC(C)C)NC(=CC(=C1C(=O)N(C)c2ccccc21)c1ccccc1)c1ccccc1,ClCCl,443.0
COC(=O)[C@H](CC(C)C)NC(=CC(=C1C(=O)N(S(=O)(=O)c2ccc(C)cc2)c2ccccc21)c1ccccc1)c1ccc(C(C)(C)C)cc1,ClCCl,446.0
COC(=O)c1[nH]c(-c2ccc(OC)cc2)c2nnc3ccc(OC)cc3c12,ClCCl,401.0
COC(=O)c1c(-c2cc3ccccc3oc2=O)nn(-c2ccccc2)c1C(=O)OC,ClCCl,322.0
COC(=O)c1c(C(=O)OC)c2ccc(-c3ccc(Cl)cc3)nn2c1C(=O)OC,CC#N,344.0
COC(=O)c1c(C(=O)OC)c2cccnn2c1C(=O)OC,C1CCCCC1,431.0
COC(=O)c1c(C=Cc2ccc(C=Cc3ccc([N+](=O)[O-])cc3)cc2)oc2cc3c(C(=O)OC)c(C=Cc4ccc(C=Cc5ccc([N+](=O)[O-])cc5)cc4)oc3cc12,ClCCl,455.0
COC(=O)c1c(C=Cc2ccc(C=Cc3ccc4ccccc4c3)cc2)oc2cc3c(C(=O)OC)c(C=Cc4ccc(C=Cc5ccc6ccccc6c5)cc4)oc3cc12,ClCCl,452.0
COC(=O)c1cc(=O)n(C)c2cc(-c3ccc(N(C)C)cc3)sc12,CC#N,428.0
COC(=O)c1cc(=O)n(C)c2cc(-c3ccc(N(C)C)cc3)sc12,ClCCl,434.0
COC(=O)c1cc(=O)n(C)c2cc(-c3ccccc3N(C)C)sc12,CC#N,402.0
COC(=O)c1cc(=O)n(C)c2cc(-c3ccccc3N(C)C)sc12,ClCCl,406.0
COC(=O)c1cc(=O)n(C)c2cc(-c3ccccc3OC)sc12,CC#N,396.0
COC(=O)c1cc(=O)n(C)c2cc(-c3ccccc3OC)sc12,ClCCl,398.0
COC(=O)c1cc2c(cc3ccc4cccc5ccc2c3c45)[nH]1,C1CCOC1,400.0
COC(=O)c1cc2c3ccccc3n(C)c2c(-c2nc3ccccc3s2)n1,ClC(Cl)Cl,383.43
COC(=O)c1ccc(-c2cc3ccc4cccc5ccc(c2)c3c45)cc1,Cc1ccccc1,364.0
COC(=O)c1cccc2nc(-c3ccc(OC)cc3)c(NC3CCCCC3)n12,CS(C)=O,355.0
COC(=O)c1ccn2c(NC3CCCCC3)c(-c3ccc(-n4ccnc4)cc3)nc2c1,CS(C)=O,387.0
COC(=O)c1ccn2c(NC3CCCCC3)c(-c3ccc(OC)cc3O)nc2c1,CS(C)=O,391.0
COC(=O)c1ccn2c(NC3CCCCC3)c(/C=C/c3ccc(N(C)C)cc3)nc2c1,CS(C)=O,434.0
COC(=O)c1ccn2c(NC3CCCCC3)c(/C=C/c3ccc(OC)cc3)nc2c1,CS(C)=O,414.0
COC(=O)c1nc2c(N(C)C)nc(N(C)C)nc2n1Cc1ccccc1,C1COCCO1,344.0
COC(=O)c1nc2c(N(C)C)nc(N(C)C)nc2n1Cc1ccccc1,CC#N,347.0
COC(=O)c1nc2c(N(C)C)nc(N(C)C)nc2n1Cc1ccccc1,CO,347.0
COC(=O)c1nc2c(N(C)C)nc(N(C)C)nc2n1Cc1ccccc1,ClCCl,351.0
COC(C)CC1=N/C(=C\c2cccc(N(C)C)c2)C(=O)N1C,C1CCOC1,355.0
COC(C)CC1=N/C(=C\c2cccc(N(C)C)c2)C(=O)N1C,CC#N,355.0
COC(C)CC1=N/C(=C\c2cccc(N(C)C)c2)C(=O)N1C,CCCCCC,354.0
COC(C=Cc1ccc(C)cc1)=C1C(=O)c2ccccc2C1=O,C1CCCCC1,401.0
COC1=[N+]2C(=C(c3ccc(C)cc3)c3ccc(OC)n3[B-]2(F)F)C=C1,C1CCCCC1,513.0
COC1=[N+]2C(=C(c3ccc(C)cc3)c3ccc(OC)n3[B-]2(F)F)C=C1,C1CCOC1,514.0
COC1=[N+]2C(=C(c3ccc(C)cc3)c3ccc(OC)n3[B-]2(F)F)C=C1,CC#N,510.0
COC1=[N+]2C(=C(c3ccc(C)cc3)c3ccc(OC)n3[B-]2(F)F)C=C1,CCOC(C)=O,512.0
COC1=[N+]2C(=C(c3ccc(C)cc3)c3ccc(OC)n3[B-]2(F)F)C=C1,CO,510.0
COC1=[N+]2C(=C(c3ccc(C)cc3)c3ccc(OC)n3[B-]2(F)F)C=C1,Cc1ccccc1,517.0
COC1=[N+]2C(=C(c3ccc(C)cc3)c3ccc(OC)n3[B-]2(F)F)C=C1,ClC(Cl)Cl,516.0
COCCC1(CCOC)c2cc(-c3ccc(OC)cc3)ccc2-c2ccc(-c3ccc(OC)cc3)cc21,C1CCCCC1,321.0
COCCN(CCOC)S(=O)(=O)c1ccc(-n2cccc2)cc1,CCCCCC,278.0
COCCOCCOCCN1C(=O)C2=C(c3ccncc3)N(CCOCCOCCOC)C(=O)C2=C1c1ccncc1,ClCCl,473.0
COCCOCCOCCN1C(=O)C2=C(c3ccncc3)N(CCOCCOCCOC)C(=O)C2=C1c1ccncc1,O,462.0
COCCOCCOCCN1c2ccccc2Sc2cc(C3=C(C#N)C(OC)=NC34C(C#N)=C(N)Oc3ccccc34)ccc21,C1CCOC1,435.0
COCCOCCOCCN1c2ccccc2Sc2cc(C3=C(C#N)C(OC)=NC34C(C#N)=C(N)Oc3ccccc34)ccc21,CS(C)=O,444.0
COCCOCCOCCOCC(COCCOCCOCCOC)Oc1cc(/C=C/c2ccc(/C=C/[N+](=O)[O-])cc2)c(OC(COCCOCCOCCOC)COCCOCCOCCOC)cc1/C=C/c1ccc(/C=C/[N+](=O)[O-])cc1,ClCCl,447.0
COCCOCCOc1cc(C=O)c(OCCOCCOC)cc1C=O,CC(C)(C)O,393.0
COCCOCCOc1cc(C=O)c(OCCOCCOC)cc1C=O,CC(C)CO,393.0
COCCOCCOc1cc(C=O)c(OCCOCCOC)cc1C=O,CC(C)O,391.0
COCCOCCOc1cc(C=O)c(OCCOCCOC)cc1C=O,CCCCO,389.0
COCCOCCOc1cc(C=O)c(OCCOCCOC)cc1C=O,CCCO,378.0
COCCOCCOc1cc(C=O)c(OCCOCCOC)cc1C=O,CCO,364.0
COCCOCCOc1cc(C=O)c(OCCOCCOC)cc1C=O,CN(C)C=O,392.0
COCCOCCOc1cc(C=O)c(OCCOCCOC)cc1C=O,CNC=O,350.0
COCCOCCOc1cc(C=O)c(OCCOCCOC)cc1C=O,CO,354.0
COCCOCCOc1cc(C=O)c(OCCOCCOC)cc1C=O,NC=O,357.0
COCCOCCOc1cc(C=O)c(OCCOCCOC)cc1C=O,O,396.0
COCC[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21,O,648.0
COCC[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)O)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21,O,648.0
COCC[N+]1=C(/C=C/C=C2/N(CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)CCCS(=O)(=O)O)C(C)(CCCS(=O)(=O)O)c2cc(S(=O)(=O)[O-])ccc21,O,556.0
CO[Si](CCCSC(=O)c1ccc(-c2ccccc2)cc1)(OC)OC,ClC(Cl)Cl,290.0
CO[Si](CCCSC(=O)c1cccc(C(=O)SCCC[Si](OC)(OC)OC)n1)(OC)OC,ClC(Cl)Cl,296.0
COc1c2ccccc2c(OC)c2c(C#CC(C)(C)C)c3cc4sccc4cc3c(C#CC(C)(C)C)c12,ClCCl,624.0
COc1cc(-c2ccccc2)c2n[n+](-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc3c2c1,ClCCl,467.0
COc1cc(-c2cnc(-c3ccncc3)o2)cc(OC)c1OC,ClCCl,332.0
COc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(OC)cc1/C=C/c1ccncc1,C1CCOC1,394.0
COc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(OC)cc1/C=C/c1ccncc1,CC#N,392.0
COc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(OC)cc1/C=C/c1ccncc1,CN(C)C=O,396.0
COc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(OC)cc1/C=C/c1ccncc1,Cc1ccccc1,395.0
COc1cc(-c2nc3sc4ccccc4c3s2)cc(OC)c1OC,CS(C)=O,358.0
COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,C1CCCCC1,408.0
COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,CC#N,418.0
COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,CN(C)C=O,430.0
COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,CO,420.0
COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,CS(C)=O,429.0
COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,c1ccccc1,418.0
COc1cc(/C=C/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)ccc1OC(C)=O,CS(C)=O,576.0
COc1cc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc(I)c1O,CS(C)=O,568.0
COc1cc(/C=C/c2cc[n+](Cc3ccc(Br)cc3)cc2)ccc1O,CC#N,406.0
COc1cc(/C=C/c2cc[n+](Cc3ccc(Br)cc3)cc2)ccc1O,CC(C)=O,409.0
COc1cc(/C=C/c2cc[n+](Cc3ccc(Br)cc3)cc2)ccc1O,CC(C)CO,429.0
COc1cc(/C=C/c2cc[n+](Cc3ccc(Br)cc3)cc2)ccc1O,CC(C)O,428.0
COc1cc(/C=C/c2cc[n+](Cc3ccc(Br)cc3)cc2)ccc1O,CCC#N,409.0
COc1cc(/C=C/c2cc[n+](Cc3ccc(Br)cc3)cc2)ccc1O,CCCCCCO,433.0
COc1cc(/C=C/c2cc[n+](Cc3ccc(Br)cc3)cc2)ccc1O,CCCCCO,432.0
COc1cc(/C=C/c2cc[n+](Cc3ccc(Br)cc3)cc2)ccc1O,CCCCO,428.0
COc1cc(/C=C/c2cc[n+](Cc3ccc(Br)cc3)cc2)ccc1O,CCCO,426.0
COc1cc(/C=C/c2cc[n+](Cc3ccc(Br)cc3)cc2)ccc1O,CCO,422.0
COc1cc(/C=C/c2cc[n+](Cc3ccc(Br)cc3)cc2)ccc1O,CN(C)C=O,415.0
COc1cc(/C=C/c2cc[n+](Cc3ccc(Br)cc3)cc2)ccc1O,CN(C)P(=O)(N(C)C)N(C)C,428.0
COc1cc(/C=C/c2cc[n+](Cc3ccc(Br)cc3)cc2)ccc1O,CO,417.0
COc1cc(/C=C/c2cc[n+](Cc3ccc(Br)cc3)cc2)ccc1O,CS(C)=O,417.0
COc1cc(/C=C/c2nc3ccccc3o2)c(OC)cc1/C=C/c1nc(C)nc(/C=C/c2cc(OC)c(/C=C/c3nc4ccccc4o3)cc2OC)n1,C1CCOC1,431.0
COc1cc(/C=C/c2nc3ccccc3o2)c(OC)cc1/C=C/c1nc(C)nc(/C=C/c2cc(OC)c(/C=C/c3nc4ccccc4o3)cc2OC)n1,CC#N,431.0
COc1cc(/C=C/c2nc3ccccc3o2)c(OC)cc1/C=C/c1nc(C)nc(/C=C/c2cc(OC)c(/C=C/c3nc4ccccc4o3)cc2OC)n1,ClC(Cl)Cl,436.0
COc1cc(/C=C/c2nc3ccccc3o2)c(OC)cc1/C=C/c1nc(C)nc(/C=C/c2cc(OC)c(/C=C/c3nc4ccccc4o3)cc2OC)n1,ClCCl,431.0
COc1cc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)cc(Cl)n1,CS(C)=O,432.0
COc1cc(C(=O)c2c(C)c3ccc4cccc5c6cccc7ccc2c(c76)c3c45)cc(OC)c1OC,ClCCl,391.0
COc1cc(C(C#N)=Cc2ccc(-c3nnc(C)o3)cc2)c(OC)cc1C(C#N)=Cc1ccc(-c2nnc(C)o2)cc1,ClCCl,446.0
COc1cc(C2=CC3=C(c4c(C)cc(C)cc4C)c4cc(-c5cc(OC)c(OC)c(OC)c5)c(-c5cc(OC)c(OC)c(OC)c5)n4[B-](F)(F)[N+]3=C2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC,C1CCCCC1,626.0
COc1cc(C2=CC3=C(c4c(C)cc(C)cc4C)c4cc(-c5cc(OC)c(OC)c(OC)c5)c(-c5cc(OC)c(OC)c(OC)c5)n4[B-](F)(F)[N+]3=C2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC,C1CCOC1,621.0
COc1cc(C2=CC3=C(c4c(C)cc(C)cc4C)c4cc(-c5cc(OC)c(OC)c(OC)c5)c(-c5cc(OC)c(OC)c(OC)c5)n4[B-](F)(F)[N+]3=C2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC,CC#N,608.0
COc1cc(C2=CC3=C(c4c(C)cc(C)cc4C)c4cc(-c5cc(OC)c(OC)c(OC)c5)c(-c5cc(OC)c(OC)c(OC)c5)n4[B-](F)(F)[N+]3=C2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC,Cc1ccccc1,629.0
COc1cc(C2=CC3=C(c4c(C)cc(C)cc4C)c4cc(-c5cc(OC)c(OC)c(OC)c5)c(-c5cc(OC)c(OC)c(OC)c5)n4[B-](F)(F)[N+]3=C2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC,ClCCl,617.0
COc1cc(OC)cc(C2=C3C(C)=C(I)C(C)=[N+]3[B-](F)(F)n3c(/C=C/c4c[nH]c5ccc([N+](=O)[O-])cc45)c(I)c(C)c32)c1,C1CCOC1,612.0
COc1cc(OC)cc(C2=C3C(C)=C(I)C(C)=[N+]3[B-](F)(F)n3c(/C=C/c4c[nH]c5ccc([N+](=O)[O-])cc45)c(I)c(C)c32)c1,CS(C)=O,622.0
COc1cc(OC)cc(C2=C3C(C)=C(I)C(C)=[N+]3[B-](F)(F)n3c(/C=C/c4c[nH]c5ccc([N+](=O)[O-])cc45)c(I)c(C)c32)c1,ClCCl,606.0
COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O,O,347.0
COc1cc2c(OC)c(OC)c3cc(OC)cc4c(OC)c(OC)c(c1)c2c34,CN(C)C=O,399.0
COc1cc2c(c(OC)c1OC)c1cccc3cnc2n31,CO,420.0
COc1cc2c(cc1-c1ccsc1)Cc1c3c(c4c(c1-2)-c1cc(OC)c(-c2ccsc2)cc1C4)C(=O)N(CCC(C)C)C3=O,C1CCOC1,417.0
COc1cc2c(cc1C=C(C#N)c1nc3ccccc3s1)c1ccccc1n2C,CS(C)=O,443.0
COc1cc2c3c4c(c5ccc(C(C)(C)C)cc5c5c(OC)c(OC)c(OC)c(c2c(OC)c1OC)c45)=[N+]1C3=Nc2c3c4cc(OC)c(OC)c(OC)c4c4c(OC)c(OC)c(OC)c5c6cc(C(C)(C)C)ccc6c(c3c54)n2[B-]1(F)F,Cc1ccccc1,850.0
COc1cc2c3sc4ccccc4c3c3cncnc3c2c(OC)c1OC,ClCCl,376.0
COc1cc2cc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc([N+](=O)[O-])cc3)cc2cc1OC,ClC(Cl)Cl,336.0
COc1cc2cc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc([N+](=O)[O-])cc3)cc2cc1OC,ClCCl,337.0
COc1cc2cc(OC)c(C#Cc3ccc([N+](=O)[O-])cc3)cc2cc1C#Cc1ccc([N+](=O)[O-])cc1,C1CCOC1,361.0
COc1cc2cc(OC)c(C#Cc3ccc([N+](=O)[O-])cc3)cc2cc1C#Cc1ccc([N+](=O)[O-])cc1,ClC(Cl)Cl,362.0
COc1cc2cc(OC)c(C#Cc3ccc([N+](=O)[O-])cc3)cc2cc1C#Cc1ccc([N+](=O)[O-])cc1,ClCCl,360.0
COc1cc2nc3c4cc(Oc5ccc(C(C)(C)C)cc5)c5c6c(Oc7ccc(C(C)(C)C)cc7)cc7c8c(cc(Oc9ccc(C(C)(C)C)cc9)c(c9c(Oc%10ccc(C(C)(C)C)cc%10)cc(c(=O)n3c2cc1OC)c4c95)c86)C(=O)OC7=O,ClCCl,626.0
COc1cc2oc(=O)c3c4ccc(C=O)cc4c4ccc5cccc6c(c1)c2c3c4c56,C1CCOC1,425.0
COc1ccc(-c2[o+]c3c(-c4ccc(OC)cc4)c(-c4ccc(OC)cc4)c4cc5cccc6ccc7cc(c2-c2ccc(OC)cc2)c3c4c7c65)cc1,ClCCl,639.0
COc1ccc(-c2c(-c3ccc(OC)cc3)c3cc(C(C)(C)C)cc4c(-c5ccc(OC)cc5)c(-c5ccc(OC)cc5)c5cccc2c5[n+]34)cc1,ClCCl,357.0
COc1ccc(-c2c(C#N)c(N)nc(N)c2C#N)cc1,C1CCOC1,339.0
COc1ccc(-c2c3ccc(=[NH2+])cc-3n(C)c3c4c(ccc23)NC(C)(C)C=C4C)cc1,O,500.0
COc1ccc(-c2c3ccc(=[NH2+])cc-3oc3cc(N(C)C)ccc23)cc1,O,525.0
COc1ccc(-c2c3ccc(=[NH2+])cc-3oc3cc(N(C)C)ccc23)cc1OC,O,525.0
COc1ccc(-c2c3ccccc3c(C#Cc3ccccc3)c3ccccc23)cc1,ClCCl,411.0
COc1ccc(-c2c3ccccc3c3n2[B-](F)(F)[N+]2=Cc4c5ccccc5c(-c5ccc(OC)cc5)n4[B-](F)(F)[N+]2=C3)cc1,CC#N,561.0
COc1ccc(-c2c3ccccc3c3n2[B-](F)(F)[N+]2=Cc4c5ccccc5c(-c5ccc(OC)cc5)n4[B-](F)(F)[N+]2=C3)cc1,CCCCCC,573.0
COc1ccc(-c2c3ccccc3c3n2[B-](F)(F)[N+]2=Cc4c5ccccc5c(-c5ccc(OC)cc5)n4[B-](F)(F)[N+]2=C3)cc1,CN(C)C=O,569.0
COc1ccc(-c2c3ccccc3c3n2[B-](F)(F)[N+]2=Cc4c5ccccc5c(-c5ccc(OC)cc5)n4[B-](F)(F)[N+]2=C3)cc1,Cc1ccccc1,579.0
COc1ccc(-c2c3ccccc3c3n2[B-](F)(F)[N+]2=Cc4c5ccccc5c(-c5ccc(OC)cc5)n4[B-](F)(F)[N+]2=C3)cc1,ClCCl,571.0
COc1ccc(-c2c3nc(c(-c4ccc(OC)cc4)c4ccc([nH]4)c(-c4ccc(OC)cc4)c4nc(c(-c5ccc(OC)cc5)c5ccc2[nH]5)C=C4N2CCOCC2)C=C3)cc1,CS(C)=O,660.0
COc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccc(OC)c(OCC(=O)O)c4)c4nc(cc5ccc2[nH]5)CC4)C=C3)cc1OCC(=O)O,CS(C)=O,644.0
COc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccc(OC)c(OCCCC(=O)O)c4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1OCCCC(=O)O,CS(C)=O,634.0
COc1ccc(-c2cc3c(s2)c(C(=O)c2ccccc2)cc(=O)n3Cc2ccccc2)cc1,CC#N,406.0
COc1ccc(-c2cc3c(s2)c(C(=O)c2ccccc2)cc(=O)n3Cc2ccccc2)cc1,ClCCl,416.0
COc1ccc(-c2cc3cc(-c4nnc(-c5ccccc5)o4)ccn3n2)cc1OC,C1CCCCC1,340.0
COc1ccc(-c2cc3ccccc3p2-c2ccccc2)cc1,C1CCOC1,340.0
COc1ccc(-c2ccc(C3=C4C(=O)NC(c5ccc(-c6ccc(OC)c(OC)c6)cc5)=C4C(=O)N3)cc2)cc1OC,ClCCl,543.0
COc1ccc(-c2cnc(-c3cccnc3)o2)cc1OC,ClCCl,330.0
COc1ccc(-c2cnc3cccc(-c4ccccc4)n23)cc1,ClCCl,341.0
COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1O,O,334.0
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(C(F)(F)F)cc3)n2)cc1,CC#N,380.0
COc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccc(OC)cc2)cc1,CO,301.0
COc1ccc(-c2nc(-c3ccccc3)c(N(c3ccccc3)c3ccccc3)s2)cc1,ClC(Cl)Cl,357.0
COc1ccc(-c2nc3cc(CO)ccn3c2NC2CCCCC2)cc1,CS(C)=O,341.0
COc1ccc(-c2ncccn2)cc1,ClCCl,283.0
COc1ccc(-c2oc3cccc4c5c(-c6ccc(OC)cc6)/c(=N/S(=O)(=O)C(F)(F)F)oc6cccc(c2c34)c65)cc1,ClC(Cl)Cl,480.0
COc1ccc(-n2c(N=Nc3ccc4ncsc4c3)ccc2-c2cccs2)cc1,CS(C)=O,474.0
COc1ccc(-n2c(N=Nc3ncc(C=O)s3)ccc2-c2cccs2)cc1,C1COCCO1,565.0
COc1ccc(-n2c3c4ccccc4nc(-c4ccc(C#N)cc4)c3c3c2c2c(-c4ccc(C#N)cc4)nc4ccccc4c2n3-c2ccc(OC)cc2)cc1,ClC(Cl)Cl,315.0
COc1ccc(-n2c3ccccc3c3cc(C=C(C#N)C#N)ccc32)cc1,C1CCOC1,404.0
COc1ccc(-n2c3ccccc3c3cc(C=C(C#N)C#N)ccc32)cc1,CC#N,403.0
COc1ccc(-n2c3ccccc3c3cc(C=C(C#N)C#N)ccc32)cc1,CC(C)=O,403.0
COc1ccc(-n2c3ccccc3c3cc(C=C(C#N)C#N)ccc32)cc1,CCOC(C)=O,402.0
COc1ccc(-n2c3ccccc3c3cc(C=C(C#N)C#N)ccc32)cc1,CO,409.0
COc1ccc(-n2c3ccccc3c3cc(C=C(C#N)C#N)ccc32)cc1,CS(C)=O,405.0
COc1ccc(-n2c3ccccc3c3cc(C=C(C#N)C#N)ccc32)cc1,Cc1ccccc1,407.0
COc1ccc(-n2c3ccccc3c3cc(C=C(C#N)C#N)ccc32)cc1,ClC(Cl)Cl,412.0
COc1ccc(-n2nc(C(=O)N3CCCC3)c(N3CCCC3)n2)cc1,CC#N,328.0
COc1ccc(-n2nc(C(=O)N3CCCC3)c(N3CCCC3)n2)cc1,CCCCCC,332.0
COc1ccc(-n2nc(C(=O)N3CCCC3)c(N3CCCC3)n2)cc1,CCO,328.0
COc1ccc(-n2nc(C(=O)N3CCCC3)c(N3CCCC3)n2)cc1,CN(C)C=O,334.0
COc1ccc(-n2nc(C(=O)N3CCCC3)c(N3CCCC3)n2)cc1,ClC(Cl)Cl,331.0
COc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(OC)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(OC)cc2)=C2\N=C(C=C2/C=C(/C#N)C(=O)O)/C=4c2ccc(OC)cc2)cc1,ClCCl,619.0
COc1ccc(/C=C/c2cc(/C=C/c3ccc(OC)cc3)nc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)n2)cc1,ClCCl,376.0
COc1ccc(/C=C/c2cc(/C=C/c3ccc(OC)cc3)nc(/C=C/c3ccccc3)n2)cc1,ClCCl,369.0
COc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c(I)c1O,CS(C)=O,566.0
COc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c(O)c1,CS(C)=O,573.0
COc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1OC,CS(C)=O,567.0
COc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1OCc1ccccc1,CS(C)=O,567.0
COc1ccc(/C=C/c2cc[n+]3ccc(/C=C/c4ccc(OC)cc4)cc3c2)cc1,CO,444.0
COc1ccc(/C=N/N=C/c2ccc(OC)cc2OCc2ccccc2[N+](=O)[O-])c(OCc2ccccc2[N+](=O)[O-])c1,C1CCOC1,356.0
COc1ccc(C#Cc2c3cc4ccccc4cc3c(C#Cc3ccc(OC)cc3)c3cc4ccccc4cc23)cc1,ClCCl,666.0
COc1ccc(C#Cc2c3cc4ccccc4cc3c(C#Cc3ccc(OC)cc3)c3cc4sc(C)cc4cc23)cc1,ClCCl,615.0
COc1ccc(C#Cc2cc(C#N)c(C#Cc3cc(C#N)ccc3C#N)cc2C#N)cc1,ClC(Cl)Cl,402.0
COc1ccc(C#Cc2cc(C#N)c(C#Cc3ccccc3C#N)cc2C#N)cc1,ClC(Cl)Cl,397.0
COc1ccc(C#Cc2ccc(C#Cc3ccc(P(=O)(c4ccc(C#Cc5ccc(C#Cc6ccc(OC)cc6)cc5)cc4)c4ccc(C#Cc5ccc(C#Cc6ccc(OC)cc6)cc5)cc4)cc3)cc2)cc1,C1CCCCC1,335.0
COc1ccc(C#Cc2ccc(C#Cc3ccc(P(=O)(c4ccc(C#Cc5ccc(C#Cc6ccc(OC)cc6)cc5)cc4)c4ccc(C#Cc5ccc(C#Cc6ccc(OC)cc6)cc5)cc4)cc3)cc2)cc1,C1COCCO1,336.0
COc1ccc(C#Cc2ccc(C#Cc3ccc(P(=O)(c4ccc(C#Cc5ccc(C#Cc6ccc(OC)cc6)cc5)cc4)c4ccc(C#Cc5ccc(C#Cc6ccc(OC)cc6)cc5)cc4)cc3)cc2)cc1,CC#N,334.0
COc1ccc(C#Cc2ccc(C#Cc3ccc(P(=O)(c4ccc(C#Cc5ccc(C#Cc6ccc(OC)cc6)cc5)cc4)c4ccc(C#Cc5ccc(C#Cc6ccc(OC)cc6)cc5)cc4)cc3)cc2)cc1,CCO,336.0
COc1ccc(C#Cc2ccc(C#Cc3ccc(P(=O)(c4ccc(C#Cc5ccc(C#Cc6ccc(OC)cc6)cc5)cc4)c4ccc(C#Cc5ccc(C#Cc6ccc(OC)cc6)cc5)cc4)cc3)cc2)cc1,CS(C)=O,338.0
COc1ccc(C#Cc2ccc(C#Cc3ccc(P(=O)(c4ccc(C#Cc5ccc(C#Cc6ccc(OC)cc6)cc5)cc4)c4ccc(C#Cc5ccc(C#Cc6ccc(OC)cc6)cc5)cc4)cc3)cc2)cc1,ClC(Cl)Cl,338.0
COc1ccc(C#Cc2ccc(C#Cc3ccc(P(=O)(c4ccc(C#Cc5ccc(C#Cc6ccc(OC)cc6)cc5)cc4)c4ccc(C#Cc5ccc(C#Cc6ccc(OC)cc6)cc5)cc4)cc3)cc2)cc1,ClCCl,338.0
COc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)c(OC)c1,C1CCCCC1,334.0
COc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)c(OC)c1,C1COCCO1,336.0
COc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)c(OC)c1,CC#N,328.0
COc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)c(OC)c1,CC(C)(C)O,338.0
COc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)c(OC)c1,CC(C)O,338.0
COc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)c(OC)c1,CCCCCC,333.0
COc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)c(OC)c1,CCCCO,340.0
COc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)c(OC)c1,CCOC(C)=O,334.0
COc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)c(OC)c1,CN(C)C=O,338.0
COc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)c(OC)c1,CO,343.0
COc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)c(OC)c1,ClCCl,331.0
COc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)c(OC)c1,O,330.0
COc1ccc(C2=C(C)C3=C(c4c(-c5ccccn5)nc5ccccn45)c4c(C)cc(C)n4[B-](F)(F)[N+]3=C2C)cc1,ClCCl,535.0
COc1ccc(C2=C(c3ccc(C(F)(F)F)cc3)C3=Cc4ccccc4NB3OB3Nc4ccccc4C=C32)cc1,ClCCl,413.0
COc1ccc(C2=C(c3ccc([N+](=O)[O-])cc3)C(c3ccccc3)=[N+]3C2=Nc2c(-c4ccc(OC)cc4)c(-c4ccc([N+](=O)[O-])cc4)c(-c4ccccc4)n2[B-]3(F)F)cc1,Cc1ccccc1,654.0
COc1ccc(C2=C(c3ccccc3)C(c3ccccc3)=[N+]3C2=Nc2c(-c4ccc(OC)cc4)c(-c4ccccc4)c(-c4ccccc4)n2[B-]3(F)F)cc1,Cc1ccccc1,656.0
COc1ccc(C2=C/C(=C\c3ccccc3)C(=O)N2)cc1OC,C1COCCO1,431.0
COc1ccc(C2=C3C=CC=[N+]3[B-](F)(F)n3cccc32)cc1,ClCCl,498.0
COc1ccc(C2=c3c(c4ccc(OC)cc4c4c(OC)cc(OC)cc34)=[N+]3C2=Nc2c(-c4ccc(OC)cc4)c4c5cc(OC)cc(OC)c5c5cc(OC)ccc5c4n2[B-]3(F)F)cc1,Cc1ccccc1,804.0
COc1ccc(C=C(C#N)c2cc(OC)c(C(C#N)=Cc3ccc(OC)cc3)cc2OC)cc1,ClCCl,432.0
COc1ccc(C=Cc2ccc3c4c(ccc3c2)OC(c2ccccc2)(c2ccccc2)C4=C=C(c2ccccc2)c2ccccc2)cc1,C1CCOC1,470.0
COc1ccc(CN(C(=O)c2ccccc2)C(C(=O)NC(C)(C)C)c2ccc(C3=C4C=CC=[N+]4[B-](F)(F)n4cccc43)cc2)cc1,C1CCOC1,501.5
COc1ccc(Cc2nnc3sc(-c4cc5cccc6ccc7cccc4c7c65)nn23)cc1,CS(C)=O,254.0
COc1ccc(N(c2ccc(-c3ccc(C=C(C#N)C(=O)O)o3)cc2)c2ccc(OC)cc2OC)c(OC)c1,ClCCl,504.0
COc1ccc(N(c2ccc(C#Cc3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc2)c2ccc(OC)cc2)cc1,ClC(Cl)Cl,515.0
COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3c4ccccc4c(C#Cc4ccc(/C=C(\C#N)C(=O)O)cc4)c4ccccc34)cc2)cc1,ClCCl,452.0
COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)o3)cc2)cc1,ClCCl,504.0
COc1ccc(N(c2ccc(OC)cc2)c2ccc3ccc4c(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)ccc5ccc2c3c54)cc1,C1CCOC1,465.0
COc1ccc(N(c2ccc(OC)cc2)c2ccc3ccc4c(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)ccc5ccc2c3c54)cc1,CC(C)=O,459.0
COc1ccc(N(c2ccc(OC)cc2)c2ccc3ccc4c(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)ccc5ccc2c3c54)cc1,CCCCCC,463.0
COc1ccc(N(c2ccc(OC)cc2)c2ccc3ccc4c(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)ccc5ccc2c3c54)cc1,Cc1ccccc1,469.0
COc1ccc(N(c2ccc(OC)cc2)c2ccc3ccc4c(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)ccc5ccc2c3c54)cc1,ClC(Cl)Cl,461.0
COc1ccc(N(c2ccc(OC)cc2)c2ccc3ccc4c(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)ccc5ccc2c3c54)cc1,ClCCl,461.0
COc1ccc(N(c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,299.0
COc1ccc(N2c3ccccc3Oc3cc(C(C#N)C(=O)O)ccc32)cc1,ClCCl,484.0
COc1ccc(N2c3ccccc3Sc3cc(/C=C/c4nc5ccc(C(=O)O)cc5nc4/C=C/c4ccc5c(c4)Sc4ccccc4N5c4ccc(OC)cc4)ccc32)cc1,ClC(Cl)Cl,477.3333333333333
COc1ccc(NC(=O)C(C(=O)Nc2ccc(OC)cc2)C(c2cc(F)ccc2O)c2c[nH]c3ccc(OC)cc23)cc1,CS(C)=O,262.0
COc1ccc(Nc2ccc3ccccc3n2)cc1,CCO,358.0
COc1ccc(Nc2ccc3ccccc3n2)cc1,CCOC(C)=O,358.0
COc1ccc(Nc2ccc3ccccc3n2)cc1,Cc1ccccc1,353.0
COc1ccc(Nc2nc(/C=C/c3ccccc3)[n+]([O-])c3c2CCCC3)cc1,ClCCl,420.0
COc1ccc(O)c(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c1,CC#N,395.0
COc1ccc(O)c(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c1,CO,401.0
COc1ccc(O)c(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c1,ClCCl,399.0
COc1ccc(OC)c(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c1,CC#N,396.0
COc1ccc(OC)c(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c1,CO,397.0
COc1ccc(OC)c(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c1,ClCCl,399.0
COc1ccc(OC)c(-c2cc3c(o2)=CC2=Cc4cc5oc(-c6cc(OC)ccc6OC)cc5n4[B-](F)(F)[N+]=32)c1,ClC(Cl)Cl,679.0
COc1ccc(OC)c(C(C)=O)c1,CO,334.0
COc1ccc(Oc2ccc(/C=C/c3cc(C)c4n3[B-](F)(F)[N+]3=CC=CC3=C4)cc2)cc1,CS(C)=O,562.0
COc1ccc([N+](=O)[O-])c(C2=CC3=C(c4ccccc4)c4cc(-c5cc(OC)ccc5[N+](=O)[O-])cn4[B-](F)(F)[N+]3=C2)c1,ClCCl,529.0
COc1ccc2[nH]cc(/C=C/c3cc(C)c4n3[B-](F)(F)[N+]3=CC=CC3=C4)c2c1,CS(C)=O,587.0
COc1ccc2c(CC(=O)NN)coc2c1,C1CCOC1,290.0
COc1ccc2c(CC(=O)NN)coc2c1,CC#N,290.0
COc1ccc2c(CC(=O)NN)coc2c1,CC(C)=O,298.0
COc1ccc2c(CC(=O)NN)coc2c1,CCCCO,278.0
COc1ccc2c(CC(=O)NN)coc2c1,CCCO,289.0
COc1ccc2c(CC(=O)NN)coc2c1,CCO,291.0
COc1ccc2c(CC(=O)NN)coc2c1,CCOC(C)=O,300.0
COc1ccc2c(CC(=O)NN)coc2c1,CN(C)C=O,288.0
COc1ccc2c(CC(=O)NN)coc2c1,CO,290.0
COc1ccc2c(CC(=O)NN)coc2c1,ClCCl,287.0
COc1ccc2c(c1)-c1ccccc1C2=O,C1CCCCC1,365.0
COc1ccc2c(c1)-c1ccccc1C2=O,CC#N,379.0
COc1ccc2c(c1)-c1ccccc1C2=O,CCO,387.0
COc1ccc2c(c1)C(C)(C)c1c-2c2ccc(OC)cc2c2cc(OC)ccc12,C1CCCCC1,394.0
COc1ccc2c(c1)CCC1=C(C#Cc3cc4ccccc4c4ccccc34)O[B-](F)(F)[O+]=C12,ClCCl,465.0
COc1ccc2c(c1)CCc1c(-c3ccccc3)c3n(c1-2)[B-](F)(F)[N+]1=c2ccc4ccccc4c2=C(c2ccccc2)C1=N3,ClC(Cl)Cl,715.0
COc1ccc2c(c1)Sc1cc(OC)ccc1N2c1ccc(-c2ccc(/C=C(\C#N)C(=O)O)s2)cc1,CC#N,411.0
COc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)[n+]1c3ccc(C)cc3c(-c3ccccc3)c(-c3ccccc3)c21,ClCCl,445.0
COc1ccc2c(c1)c1c(c3cc(OC)ccc32)-c2cc(C(C)(C)C)cc3c2c(nc2c4cc(OC)ccc4c4ccc(OC)cc4c32)O1,ClCCl,425.0
COc1ccc2c(c1)c1c(c3cc(OC)ccc32)=[N+]2C(=C(c3c(C)cc(C)cc3C)c3cc4c5cc(OC)ccc5c5ccc(OC)cc5c4n3[B-]2(F)F)C=1,C1CCCCC1,678.0
COc1ccc2c(c1)c1c(c3cc(OC)ccc32)=[N+]2C(=C(c3c(C)cc(C)cc3C)c3cc4c5cc(OC)ccc5c5ccc(OC)cc5c4n3[B-]2(F)F)C=1,C1CCOC1,676.0
COc1ccc2c(c1)c1c(c3cc(OC)ccc32)=[N+]2C(=C(c3c(C)cc(C)cc3C)c3cc4c5cc(OC)ccc5c5ccc(OC)cc5c4n3[B-]2(F)F)C=1,CC#N,666.0
COc1ccc2c(c1)c1c(c3cc(OC)ccc32)=[N+]2C(=C(c3c(C)cc(C)cc3C)c3cc4c5cc(OC)ccc5c5ccc(OC)cc5c4n3[B-]2(F)F)C=1,Cc1ccccc1,682.0
COc1ccc2c(c1)c1c(c3cc(OC)ccc32)=[N+]2C(=C(c3c(C)cc(C)cc3C)c3cc4c5cc(OC)ccc5c5ccc(OC)cc5c4n3[B-]2(F)F)C=1,ClCCl,675.0
COc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(S(=O)(=O)c2ccc(-n3c4ccc(OC)cc4c4cc(OC)ccc43)cc2)cc1,Cc1ccccc1,369.6920583
COc1ccc2c(c1)c1cc(OC)ccc1n2-c1nc2ccccc2nc1-n1c2ccc(OC)cc2c2cc(OC)ccc21,Cc1ccccc1,437.0
COc1ccc2c(c1)sc1[n+]2[B-](F)(F)OC(c2ccc(N(C)C)cc2)=N1,C1CCOC1,430.0
COc1ccc2c(c1)sc1[n+]2[B-](F)(F)OC(c2ccc(N(C)C)cc2)=N1,CC#N,426.0
COc1ccc2c(c1)sc1[n+]2[B-](F)(F)OC(c2ccc(N(C)C)cc2)=N1,CC(C)=O,431.0
COc1ccc2c(c1)sc1[n+]2[B-](F)(F)OC(c2ccc(N(C)C)cc2)=N1,Cc1ccccc1,427.0
COc1ccc2c(c1)sc1[n+]2[B-](F)(F)OC(c2ccc(N(C)C)cc2)=N1,ClCCl,430.0
COc1ccc2c3c([nH]c2c1)C(C)=NCC3,CC#N,328.0
COc1ccc2c3c([nH]c2c1)C(C)=NCC3,CS(C)=O,330.0
COc1ccc2c3c([nH]c2c1)C(C)=NCC3,O,372.0
COc1ccc2c3c(c4ccc(C(C)(C)C)cc4c2c1)=C(c1cc(OC)c(OC)c(OC)c1)C1=Nc2c(-c4cc(OC)c(OC)c(OC)c4)c4c5ccc(C(C)(C)C)cc5c5cc(OC)ccc5c4n2[B-](F)(F)[N+]=31,Cc1ccccc1,797.0
COc1ccc2c3c(c4ccc(OC)cc4c2c1)=[N+]1C(=C(c2c(C)cc(C)cc2C)c2cc4c5ccc(OC)cc5c5cc(OC)ccc5c4n2[B-]1(F)F)C=3,C1CCCCC1,669.0
COc1ccc2c3c(c4ccc(OC)cc4c2c1)=[N+]1C(=C(c2c(C)cc(C)cc2C)c2cc4c5ccc(OC)cc5c5cc(OC)ccc5c4n2[B-]1(F)F)C=3,C1CCOC1,670.0
COc1ccc2c3c(c4ccc(OC)cc4c2c1)=[N+]1C(=C(c2c(C)cc(C)cc2C)c2cc4c5ccc(OC)cc5c5cc(OC)ccc5c4n2[B-]1(F)F)C=3,CC#N,660.0
COc1ccc2c3c(c4ccc(OC)cc4c2c1)=[N+]1C(=C(c2c(C)cc(C)cc2C)c2cc4c5ccc(OC)cc5c5cc(OC)ccc5c4n2[B-]1(F)F)C=3,Cc1ccccc1,675.0
COc1ccc2c3c(c4ccc(OC)cc4c2c1)=[N+]1C(=C(c2c(C)cc(C)cc2C)c2cc4c5ccc(OC)cc5c5cc(OC)ccc5c4n2[B-]1(F)F)C=3,ClCCl,664.0
COc1ccc2c3c(cccc13)C(=O)c1ccccc1-2,CC(C)=O,421.0526316
COc1ccc2c3c(cccc13)C(=O)c1ccccc1-2,CCCCOCCCC,412.0313144
COc1ccc2c3c(cccc13)C(=O)c1ccccc1-2,CCOC(C)=O,418.0602007
COc1ccc2c3c(cccc13)C(=O)c1ccccc1-2,CCOCC,414.0786749
COc1ccc2c3c(cccc13)C(=O)c1ccccc1-2,Clc1ccccc1,423.0118443
COc1ccc2c3c(cccc13)C(=O)c1ccccc1-2,O=C1CCCCC1,421.9409283
COc1ccc2c3ccccc3n[n+](-c3ccccc3)c2c1,ClCCl,472.0
COc1ccc2cc(-c3ccc(-c4cc5ccc(OC)cc5oc4=O)cc3)c(=O)oc2c1,ClC(Cl)Cl,362.0
COc1ccc2cc(-c3ccc([N+](=O)[O-])cc3)ccc2c1,C1CCOC1,344.0
COc1ccc2cc(-c3ccc([N+](=O)[O-])cc3)ccc2c1,CC#N,341.0
COc1ccc2cc(-c3ccc([N+](=O)[O-])cc3)ccc2c1,ClC(Cl)Cl,346.0
COc1ccc2cc(-c3ccc([N+](=O)[O-])cc3)ccc2c1,ClCCl,345.0
COc1ccc2cc(/C=C/c3ccccc3)c(=O)oc2c1,CC#N,366.0
COc1ccc2cc(C#CC3=C4CCc5ccccc5C4=[O+][B-](F)(F)O3)ccc2c1,ClCCl,457.0
COc1ccc2cc3c(C)cc(=O)oc3cc2c1,CC#N,340.0
COc1ccc2cc3c(C)cc(=O)oc3cc2c1,CCCCCC,337.0
COc1ccc2cc3c(C)cc(=O)oc3cc2c1,CCO,343.0
COc1ccc2cc3c(C)cc(=O)oc3cc2c1,CCOC(C)=O,340.0
COc1ccc2cc3c(C)cc(=O)oc3cc2c1,CO,343.0
COc1ccc2cc3c(C)cc(=O)oc3cc2c1,OCC(F)(F)F,344.0
COc1ccc2ccc3oc(=O)c(C)nc3c2c1,c1ccccc1,368.0
COc1ccc2nc(-c3ccccc3)c(=O)oc2c1,c1ccccc1,374.0
COc1ccc2oc(=N)c(C#N)cc2c1,ClCCl,388.0
COc1ccc2oc(=O)cc(-c3cc(-c4cc5ccccc5oc4=O)nc(-c4cc5ccccc5oc4=O)c3)c2c1,Clc1ccccc1,355.0
COc1cccc(-c2c3ccc(=[NH2+])cc-3sc3cc(N)ccc23)c1,O,520.0
COc1cccc(-c2ccc(-c3cccc(OC)c3)c3[nH]c(-c4ccc(/C=C(\C#N)C(=O)O)cc4)nc23)c1,ClC(Cl)Cl,360.0
COc1cccc(-c2ccc(-c3cccc(OC)c3)c3[nH]c(-c4ccc(/C=C(\C#N)C(=O)O)cc4)nc23)c1,ClCCl,300.0
COc1cccc(-c2ccc(-c3oc4c(C)c5c(-c6ccc(-c7cccc(OC)c7)cc6)c(-c6ccc(-c7cccc(OC)c7)cc6)oc5c(C)c4c3-c3ccc(-c4cccc(OC)c4)cc3)cc2)c1,ClCCl,261.0
COc1cccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c1,CS(C)=O,555.0
COc1cccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c1Cl,CS(C)=O,555.0
COc1cccc(/C=C/c2ccccc2)c1,CC#N,295.0
COc1cccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)c1,CS(C)=O,431.0
COc1cccc(OC)c1-c1c2ccc(=[N+]3CCN(C(=O)OC(C)(C)C)CC3)cc-2oc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc12,ClCCl,555.0
COc1cccc(OC)c1-c1c2ccc(=[N+]3CCNCC3)cc-2oc2cc(N3CCNCC3)ccc12,CCO,561.0
COc1cccc(OC)c1-c1c2ccc(=[N+]3CCNCC3)cc-2oc2cc(N3CCNCC3)ccc12,O,542.0
COc1ccccc1-c1c2c(n3ccc(C(C)=O)cc13)C(=O)N(CCNC(=O)OC(C)(C)C)C2,ClCCl,405.0
COc1ccccc1-c1cc2c(o1)=CC1=Cc3cc4oc(-c5ccccc5OC)cc4n3[B-](F)(F)[N+]=21,ClC(Cl)Cl,671.0
COc1ccccc1C1=C2C=CC(=[N+](C)C)C=C2S(=O)(=O)c2cc(N(C)C)ccc21,O,707.0
COc1ccccc1C1=C2C=CC(=[N+](C)C)C=C2[Si](C)(C)c2cc(N(C)C)ccc21,O,649.0
COc1ccccc1N=Nc1nc2ccc([N+](=O)[O-])cc2s1,CO,414.0
COc1ccccc1NC1=CC(=O)c2ccccc2C1=O,CCCCCC,468.0
COc1ccccc1NC1=CC(=O)c2ccccc2C1=O,CO,476.0
COc1ccn2c3c(c(-c4ccccc4OC)c2c1)CN(C(C)CO)C3=O,ClCCl,323.0
COc1nc(Nc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)nc(OC)n1,CC#N,413.9072848
COc1nc(Nc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)nc(OC)n1,CC(C)O,421.9409283
COc1nc(Nc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)nc(OC)n1,CCCCOCCCC,421.9409283
COc1nc(Nc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)nc(OC)n1,CCOC(C)=O,418.9359028
COc1nc(Nc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)nc(OC)n1,CO,419.9916002
COc1nc(Nc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)nc(OC)n1,Cc1ccccc1,426.9854825
CS(=O)(=O)Nc1ccc(-c2c3nc(c(-c4ccc(NS(C)(=O)=O)cc4)c4ccc([nH]4)c(-c4ccc(NS(C)(=O)=O)cc4)c4nc(c(-c5ccc(NS(C)(=O)=O)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1,CN(C)C=O,650.0
CSC1=C2C=C(c3cc4n(c3)[B-](F)(F)[N+]3=CC=CC3=C4c3c(C)cc(C)cc3C)C(C)=[N+]2[B-](F)(F)n2c(C)ccc21,C1CCCCC1,606.0
CSC1=C2C=C(c3cc4n(c3)[B-](F)(F)[N+]3=CC=CC3=C4c3c(C)cc(C)cc3C)C(C)=[N+]2[B-](F)(F)n2c(C)ccc21,CC#N,592.0
CSC1=C2C=C(c3cc4n(c3)[B-](F)(F)[N+]3=CC=CC3=C4c3c(C)cc(C)cc3C)C(C)=[N+]2[B-](F)(F)n2c(C)ccc21,CC(C)=O,595.0
CSC1=C2C=C(c3cc4n(c3)[B-](F)(F)[N+]3=CC=CC3=C4c3c(C)cc(C)cc3C)C(C)=[N+]2[B-](F)(F)n2c(C)ccc21,CCOC(C)=O,598.0
CSC1=C2C=C(c3cc4n(c3)[B-](F)(F)[N+]3=CC=CC3=C4c3c(C)cc(C)cc3C)C(C)=[N+]2[B-](F)(F)n2c(C)ccc21,Cc1ccccc1,607.0
CSc1ccc(-c2c3ccc(=[NH2+])cc-3oc3cc(N(C)C)ccc23)cc1,O,525.0
CSc1ccc(C#Cc2ccc(C#Cc3cc(C#N)ccc3C#N)cc2C#N)cc1,ClC(Cl)Cl,374.0
CSc1nnc(N=Nc2c(C)[nH]c3ccccc23)s1,CS(C)=O,462.0
CSc1sc(C(=O)c2ccccc2)c2nn[nH]c(=O)c12,C1CCOC1,396.5
CSc1sc(C(=O)c2ccccc2)c2nn[nH]c(=O)c12,CC#N,396.0
CSc1sc(C(=O)c2ccccc2)c2nn[nH]c(=O)c12,CCO,400.0
CSc1sc(C(=O)c2ccccc2)c2nn[nH]c(=O)c12,CN(C)C=O,409.0
CSc1sc(C(=O)c2ccccc2)c2nn[nH]c(=O)c12,CO,400.0
CSc1sc(C(=O)c2ccccc2)c2nn[nH]c(=O)c12,CS(C)=O,405.5
C[C@@]12SC(Cl)=CC1=c1nc(-c3ccc(Cl)cc3)[nH]c1=C1C=C(Cl)S[C@]12C,CC#N,327.0
C[C@H]1CC(C)(C)N(C)c2ccc(/C=C/c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)s3)cc21,CCO,475.0
C[C@H]1OC([n+]2cccc(C(N)=O)c2)[C@H](O)[C@@H]1O,CO,793.0
C[C@](c1ccc(OCCCCCCN2c3ccccc3Sc3cc(/C=C(/C#N)C(=O)O)ccc32)cc1)(c1ccc(OCCCCCCN2c3ccccc3Sc3cc(/C=C(\C#N)C(=O)O)ccc32)cc1)c1ccc(OCCCCCN2c3ccccc3Sc3cc(/C=C(\C#N)C(=O)O)ccc32)cc1,CN(C)C=O,413.0
C[C@]12SC(=O)C=C1c1nc(-c3ccc(Cl)cc3)[nH]c1C1=CC(=O)S[C@@]12C,CC#N,451.0
C[N+](C)=c1ccc2c(-c3c(Cl)c(Cl)c(Cl)c(Cl)c3C(=O)[O-])c3ccc4cc([O-])ccc4c3oc-2c1,O,605.0
C[N+]1(C)CCC[C@H]1C(=O)O,CO,482.0
C[N+]1=C(/C=C/C2=C3Oc4c(cc5c6c4CCCN6CCC5)C(c4ccccc4C(=O)O)=C3CCC2)C(C)(C)c2c1ccc1ccccc21,CC#N,742.0
C[N+]1=C(/C=C/C2=C3Oc4c(cc5c6c4CCCN6CCC5)C(c4ccccc4C(=O)O)=C3CCC2)C(C)(C)c2c1ccc1ccccc21,CCO,728.0
C[N+]1=C(/C=C/C2=C3Oc4c(cc5c6c4CCCN6CCC5)C(c4ccccc4C(=O)O)=C3CCC2)C(C)(C)c2c1ccc1ccccc21,CO,730.0
C[N+]1=C(/C=C/C2=C3Oc4c(cc5c6c4CCCN6CCC5)C(c4ccccc4C(=O)O)=C3CCC2)C(C)(C)c2c1ccc1ccccc21,ClC(Cl)Cl,746.0
C[SiH](C)c1cccc2ccccc12,C1CCCCC1,294.0
C[Si](C)(C)C#CC(C#C[Si](C)(C)C)=Cc1ccc(C=C(C#C[Si](C)(C)C)C#C[Si](C)(C)C)cc1,ClC(Cl)Cl,412.0
C[Si](C)(C)[Si](c1ccc(-c2ccc(-c3ccc(-c4ccc([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)s4)s3)s2)s1)([Si](C)(C)C)[Si](C)(C)C,ClCCl,417.0
C[Si](C)(C)[Si](c1ccc(-c2ccc(-c3ccc([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)s3)s2)s1)([Si](C)(C)C)[Si](C)(C)C,ClCCl,394.0
C[Si](C)(C)c1ccc(-c2nn(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2C(=O)c2ccccc2)cc1,C1CCOC1,369.0
C[Si]1(C)c2ccccc2-c2[se]c3cc4c5c([se]c4cc3c21)-c1ccccc1[Si]5(C)C,C1CCOC1,408.0
C[n+]1cc2ccc3c[n+](C)cc4ccc(c1)c2c34,CC#N,418.0
C[n+]1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccc(/C=C/c4cc[n+](C)cc4)cc3)cc2)cc1,ClCCl,402.0
C[n+]1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccc(/C=C/c4cc[n+](C)cc4)cc3)cc2)cc1,O,509.0
C[n+]1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccc(/C=C/c4cc[n+](C)cc4)cc3)cc2)cc1,OCC(O)CO,496.0
C[n+]1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccc(/C=C/c4cc[n+](C)cn4)cc3)cc2)nc1,CS(C)=O,500.0
C[n+]1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccc(/C=C/c4cc[n+](C)cn4)cc3)cc2)nc1,O,525.0
C[n+]1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccc(/C=C/c4cc[n+](C)cn4)cc3)cc2)nc1,OCC(O)CO,560.0
C[n+]1ccc2c(ccc3c[n+](C)ccc32)c1,CC#N,387.0
Cc1c(-c2nnc(-c3ccc4ccccc4c3)o2)sc2sc(-c3nnc(-c4ccc5ccccc5c4)o3)c(C)c12,CCO,362.0
Cc1c(C(=O)C=Cc2ccc(OCCCN3CCN(c4ncccn4)CC3)cc2)nnn1-c1ccnc2cc(Cl)ccc12,CO,237.0
Cc1c(C(N)=O)c(=O)oc2cc3c(cc12)nc(Nc1cccc2ccccc12)n3CCN1CCOCC1,CCO,349.0
Cc1c(C(N)=O)c(=O)oc2cc3c(cc12)nc(Nc1ccccc1)n3C,CCO,353.0
Cc1c(C(N)=O)c(=O)oc2cc3c(cc12)nc(Nc1ccccc1F)n3CC1CCCO1,CCO,362.0
Cc1c2c(c(C)c3ccccc13)-c1c-2ccc2nc3ccccc3nc12,ClC(Cl)Cl,455.0
Cc1c2oc(-c3ccc(-c4ccncc4)cc3)c(-c3ccc(-c4ccncc4)cc3)c2c(C)c2oc(-c3ccc(-c4ccncc4)cc3)c(-c3ccc(-c4ccncc4)cc3)c12,ClCCl,262.0
Cc1c2oc(-c3ccc(-c4cnc5ccccc5c4)cc3)c(-c3ccc(-c4cnc5ccccc5c4)cc3)c2c(C)c2oc(-c3ccc(-c4cnc5ccccc5c4)cc3)c(-c3ccc(-c4cnc5ccccc5c4)cc3)c12,ClCCl,258.0
Cc1c2oc(-c3ccc(C=Cc4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc3)c(-c3ccc(C=Cc4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc3)c2c(C)c2oc(-c3ccc(C=Cc4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc3)c(-c3ccc(C=Cc4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc3)c12,ClCCl,321.0
Cc1cc(-c2ccc(O)c(C#N)c2)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,356.0
Cc1cc(/C=C/OC(C)(C)C)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,560.0
Cc1cc(/C=C/c2cc(F)c(F)cc2F)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,561.0
Cc1cc(/C=C/c2cc(F)ccc2Br)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,553.0
Cc1cc(/C=C/c2cc(O)cc(O)c2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,557.0
Cc1cc(/C=C/c2cc([N+](=O)[O-])ccc2F)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,561.0
Cc1cc(/C=C/c2ccc(-c3cccc(Cl)c3)o2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,592.0
Cc1cc(/C=C/c2ccc(B(O)O)cc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,558.0
Cc1cc(/C=C/c2ccc(Br)cc2F)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,569.0
Cc1cc(/C=C/c2ccc(N(C)C)c3ccccc23)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,582.0
Cc1cc(/C=C/c2ccc(O)c([N+](=O)[O-])c2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,561.0
Cc1cc(/C=C/c2ccc(O)cc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,566.0
Cc1cc(/C=C/c2ccc(OCc3ccc(F)cc3)cc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,564.0
Cc1cc(/C=C/c2cccc(B(O)O)c2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,555.0
Cc1cc(/C=C/c2cccc(OC(F)(F)C(F)F)c2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,551.0
Cc1cc(/C=C/c2ccccc2C(=O)O)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,554.0
Cc1cc(/C=C/c2ccccc2O)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,562.0
Cc1cc(/C=C/c2ccccc2OCc2ccccc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,561.0
Cc1cc(/C=C/c2cccs2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,568.0
Cc1cc(=O)oc2cc(N)c(N)cc12,CC#N,389.0
Cc1cc(=O)oc2cc3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc4c3cc12,ClC(Cl)Cl,385.0
Cc1cc(C#N)ccc1N1c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccccc21,Cc1ccccc1,349.0
Cc1cc(C)c(/C2=C3\C=CC(=N3)/C(c3c(C)cc(C)cc3C)=c3/cc/c4n3[Zn]n3c2c2cc5nc(C#N)c(C(=O)O)nc5cc2c3/C(c2c(C)cc(C)cc2C)=C2/C=CC(=N2)/C=4c2c(C)cc(C)cc2C)c(C)c1,ClCCl,642.0
Cc1cc(C)c(/C2=C3\C=CC(=N3)/C(c3c(C)cc(C)cc3C)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2c(C)cc(C)cc2C)=C2\N=C(/C=4c3c(C)cc(C)cc3C)c3nc4cc(C(=O)O)c(C(=O)O)cc4nc32)c(C)c1,CO,627.0
Cc1cc(C)c(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)[nH]1,CS(C)=O,612.0
Cc1cc(C)c(B(c2cc(-c3ccc(C(C)(C)C)cc3)sc2-c2sc(-c3ccc(C(C)(C)C)cc3)cc2P(=O)(c2ccccc2)c2ccccc2)c2c(C)cc(C)cc2C)c(C)c1,CO,396.0
Cc1cc(C)c(B(c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc2)c2c(C)cc(C)cc2C)c(C)c1,Cc1ccccc1,355.0
Cc1cc(C)c(B(c2ccc3c(c2)c2cc(B(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)ccc2n3-c2ccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)cc2)c2c(C)cc(C)cc2C)c(C)c1,C1CCOC1,358.0
Cc1cc(C)c(B(c2ccccc2N(c2ccccc2)c2ccccc2)c2c(C)cc(C)cc2C)c(C)c1,Cc1ccccc1,415.0
Cc1cc(C)c(B2c3cc(C(C)(C)C)ccc3-c3cc4ccccc4c4cc(C(C)(C)C)cc2c34)c(C)c1,C1CCCCC1,408.0
Cc1cc(C)c(C2=C(c3c(C)sc(-c4ccc(-c5nc(-c6ccccc6)c(-c6ccccc6)[nH]5)cc4)c3C)C(F)(F)C(F)(F)C2(F)F)s1,C1CCOC1,332.0
Cc1cc(C)c(C2=C3C=C(/C=C/C(=O)OC(C)(C)C)C=[N+]3[B-](F)(F)n3c2ccc3N2CCCC2)c(C)c1,ClCCl,479.0
Cc1cc(C)c(C2=C3C=CC=[N+]3[B-]3(F)Oc4cc(O)cc5c6ccc(C)cc6c6cc2n3c6c45)c(C)c1,ClC(Cl)Cl,629.0
Cc1cc(C)c(C2=C3C=c4c(c5ccccc5c5ccccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccccc4c4ccccc4c23)c(C)c1,C1CCCCC1,674.0
Cc1cc(C)c(C2=C3C=c4c(c5ccccc5c5ccccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccccc4c4ccccc4c23)c(C)c1,C1CCOC1,673.0
Cc1cc(C)c(C2=C3C=c4c(c5ccccc5c5ccccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccccc4c4ccccc4c23)c(C)c1,CC#N,666.0
Cc1cc(C)c(C2=C3C=c4c(c5ccccc5c5ccccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccccc4c4ccccc4c23)c(C)c1,Cc1ccccc1,680.0
Cc1cc(C)c(C2=C3C=c4c(c5ccccc5c5ccccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccccc4c4ccccc4c23)c(C)c1,ClCCl,673.0
Cc1cc(C)c(S)c(C)c1,CCO,480.0
Cc1cc(C)c2nc3[nH]c(=O)[nH]c(=O)c3nc2c1,CC#N,388.0
Cc1cc(C)c2nc3c(=O)[nH]c(=O)[nH]c3nc2c1,CC#N,350.0
Cc1cc(C)cc(-c2c3ccc(=[NH2+])cc-3n(C)c3cc(N(C)C)ccc23)c1,O,480.0
Cc1cc(C)cc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c1,CS(C)=O,556.0
Cc1cc(C)cc(N(c2cc(C)cc(C)c2)c2ccc3c(c2)/C=N/c2ccc(C(=O)O)cc2/N=C/c2cc(N(c4cc(C)cc(C)c4)c4cc(C)cc(C)c4)ccc2O[Zn]O3)c1,C1CCOC1,473.0
Cc1cc(C)n(-c2nc3ccccc3s2)n1,CS(C)=O,287.0
Cc1cc(C)n2c1C=C1c3ccccc3C(c3cccn3C)=[N+]1[B-]2(F)F,C1CCOC1,585.0
Cc1cc(C)n2c1C=C1c3ccccc3C(c3cccn3C)=[N+]1[B-]2(F)F,CC#N,580.0
Cc1cc(C)n2c1C=C1c3ccccc3C(c3cccn3C)=[N+]1[B-]2(F)F,CCCCCC,586.0
Cc1cc(C)n2c1C=C1c3ccccc3C(c3cccn3C)=[N+]1[B-]2(F)F,CO,581.0
Cc1cc(C)n2c1C=C1c3ccccc3C(c3cccn3C)=[N+]1[B-]2(F)F,Cc1ccccc1,591.0
Cc1cc(C)n2c1C=C1c3ccccc3C(c3cccn3C)=[N+]1[B-]2(F)F,ClCCl,585.0
Cc1cc(C2=C(c3c(C)sc(-c4ccc(-c5nc(-c6ccccc6)c(-c6ccccc6)[nH]5)cc4)c3C)C(F)(F)C(F)(F)C2(F)F)c(C)s1,C1CCOC1,336.0
Cc1cc(C=C(C#N)C(=O)O)sc1C=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1,ClC(Cl)Cl,517.0
Cc1cc(O)c(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)cc1Cl,CC#N,393.0
Cc1cc(O)c(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)cc1Cl,CO,395.0
Cc1cc(O)c(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)cc1Cl,ClCCl,399.0
Cc1cc(O)c(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(=O)o1,CC#N,358.0
Cc1cc(O)c(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(=O)o1,ClCCl,361.0
Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(O)cc1,C1CCCCC1,339.0
Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(O)cc1,C1CCOC1,342.0
Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(O)cc1,C1COCCO1,341.0
Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(O)cc1,CC#N,334.0
Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(O)cc1,CC(C)(C)O,345.0
Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(O)cc1,CC(C)O,340.0
Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(O)cc1,CCCCCC,339.0
Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(O)cc1,CCCCO,340.0
Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(O)cc1,CCO,340.0
Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(O)cc1,CCOC(C)=O,340.0
Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(O)cc1,CN(C)C=O,344.0
Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(O)cc1,CO,341.0
Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(O)cc1,CS(C)=O,346.0
Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(O)cc1,ClC(Cl)Cl,337.0
Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(O)cc1,ClCCl,335.0
Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(O)cc1,O,342.0
Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(O)cc1,OCCO,342.0
Cc1cc2c(cc1C)NC(=O)CC(=O)N2,CS(C)=O,297.0
Cc1cc2c(o1)=CC1=C(C(F)(F)F)c3cc4oc(C)cc4n3[B-](F)(F)[N+]=21,ClC(Cl)Cl,613.0
Cc1cc2c3ccccc3oc2c2c1c1ccccc1n2-c1ccc(C#N)cc1,ClCCl,354.0
Cc1cc2cc(C)c3c4ccccc4[nH]c3c2o1,ClCCl,302.0
Cc1cc2cc3ccccc3cc2cn1,CCO,379.0750569
Cc1cc2nc(N=Nc3c(C)n(C)c4ccccc34)sc2cc1C,ClC(Cl)Cl,517.0
Cc1ccc(-c2c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)n3c(c2-c2ccc(C)cc2)c(C=O)c2cc(Br)ccc23)cc1,CC#N,413.0
Cc1ccc(-c2c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)n3c(c2-c2ccc(C)cc2)c(C=O)c2cc(Br)ccc23)cc1,CS(C)=O,413.0
Cc1ccc(-c2c3ccc(=[NH2+])cc-3oc3cc(O)ccc23)cc1,O,490.0
Cc1ccc(-c2c3ccsc3c(-c3ccc(C)s3)c3ccsc23)s1,ClC(Cl)Cl,354.0
Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(OC(=O)C(C)c5ccc(CC(C)C)cc5)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1,ClCCl,649.0
Cc1ccc(-c2c3nc(c(C#Cc4ccc(C=C(C#N)C(=O)O)cc4)c4ccc(s4)c(-c4ccc(C)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1,C1CCOC1,449.0
Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=S)[nH]2)cc1,C1CCCCC1,488.0
Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=S)[nH]2)cc1,C1COCCO1,442.0
Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=S)[nH]2)cc1,CC#N,430.0
Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=S)[nH]2)cc1,CCOCC,440.0
Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=S)[nH]2)cc1,CN(C)C=O,438.0
Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=S)[nH]2)cc1,ClC(Cl)(Cl)Cl,446.0
Cc1ccc(-c2ccc(/C=C/c3ccc(N(C)C)cc3)cn2)nc1,CC#N,383.0
Cc1ccc(-c2cccc3cnc(-c4ccccc4)n23)cc1,ClCCl,341.0
Cc1ccc(-c2ccnc3nc(-c4ccc(N(C)C)cc4)nn23)cc1,ClCCl,373.0
Cc1ccc(-c2nc(-c3ccccc3O)[nH]c2-c2ccc(C)cc2)cc1,CO,320.0
Cc1ccc(-c2nc3nccc(-c4ccc(C)cc4)n3n2)cc1,ClCCl,317.0
Cc1ccc(-n2c(-c3ccccc3NS(=O)(=O)c3ccc(C)cc3)nc3c4ccccc4c4ccccc4c32)cc1,Cc1ccccc1,344.0
Cc1ccc(/C=C/c2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1,ClCCl,355.0
Cc1ccc(/C=c2\o/c(=C\c3ccc(N(C)C)cc3)c3ccccc23)cc1,ClCCl,405.0
Cc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1,C1CCOC1,404.0
Cc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1,CC#N,411.0
Cc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1,CC(=O)O,427.0
Cc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1,CC(C)=O,405.0
Cc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1,CCO,422.0
Cc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1,CN(C)C=O,419.0
Cc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1,CO,419.0
Cc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1,Cc1ccccc1,404.0
Cc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1,ClC(Cl)Cl,412.0
Cc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1,c1ccccc1,404.0
Cc1ccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)c(F)c1F,CS(C)=O,431.0
Cc1ccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)cc1F,CS(C)=O,432.0
Cc1ccc(C2=C(c3ccc(C)cc3)c3cccc4c3c(cc3nc5ccccc5nc34)O2)cc1,ClCCl,498.0
Cc1ccc(C2=C3C=CC(N4CCOCC4)=[N+]3[B-](F)(F)n3cccc32)cc1,ClCCl,488.0
Cc1ccc(C2=C3C=CC=[N+]3[B-](F)(F)n3c2ccc3N2CCC(N3CCCCC3)CC2)cc1,ClCCl,481.0
Cc1ccc(C2=C3C=CC=[N+]3[B-](F)(F)n3c2ccc3N2CCCC2)cc1,ClCCl,473.0
Cc1ccc(C2CC(c3ccc(O)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1,C1CCOC1,359.0
Cc1ccc(C2CC(c3ccc(O)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1,C1COCCO1,360.0
Cc1ccc(C2CC(c3ccc(O)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1,CC#N,358.0
Cc1ccc(C2CC(c3ccc(O)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1,CC(C)O,358.0
Cc1ccc(C2CC(c3ccc(O)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1,CCO,358.0
Cc1ccc(C2CC(c3ccc(O)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1,CCOC(C)=O,358.0
Cc1ccc(C2CC(c3ccc(O)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1,CN(C)C=O,362.0
Cc1ccc(C2CC(c3ccc(O)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1,CO,357.0
Cc1ccc(C2CC(c3ccc(O)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1,CS(C)=O,364.0
Cc1ccc(C2CC(c3ccc(O)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1,O,360.0
Cc1ccc(N(c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc2)c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc2)c(C)c1,ClC(Cl)Cl,507.0
Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc3)cc2)cc1,C1CCOC1,430.0
Cc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C/c3ccc(/C=C/c4sc(/C=C(\C#N)C(=O)O)c5c4OCCO5)s3)cc2)cc1,CN(C)C=O,486.0
Cc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C/c3ccc(Nc4ncc(/C=C(\C#N)C(=O)O)cn4)c4nn(C)nc34)cc2)cc1,Cc1ccccc1,438.0
Cc1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccc(C)cc5)ccc5ccc2c3c54)cc1,ClCCl,428.0
Cc1ccc(N2C(c3ccccc3NS(=O)(=O)c3ccc(C)cc3)=NC(c3ccccc3)C2c2ccccc2)cc1,Cc1ccccc1,300.0
Cc1ccc(N2c3cc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nsnc45)ccc3C3CCCC32)cc1,ClCCl,546.0
Cc1ccc(N2c3ccc(/C=C/c4ccc(/C=C(\C#N)C(=O)O)cc4)cc3C3CCCC32)cc1,ClCCl,465.0
Cc1ccc(N=Nc2c(N)nn3c(-c4ccccc4)ccnc23)cc1,C1CCCCC1,420.0
Cc1ccc(S(=O)(=O)/N=c2/cc3ccccc3cn2-c2ccc(Cl)cc2)cc1,CC#N,435.0
Cc1ccc([B-]2(c3ccc(C)cc3)n3nc(C(F)(F)F)cc3-c3c4ccccc4cc[n+]32)cc1,C1CCCCC1,377.0
Cc1ccc([B-]2(c3ccc(C)cc3)n3nc(C(F)(F)F)cc3-c3c4ccccc4cc[n+]32)cc1,Cc1ccccc1,377.0
Cc1ccc([B-]2(c3ccc(C)cc3)n3nc(C(F)(F)F)cc3-c3c4ccccc4cc[n+]32)cc1,ClCCl,373.0
Cc1ccc([C@@H]2C[C@](O)(c3ccccn3)C[C@](O)(c3ccccn3)[C@H]2C(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,C1CCOC1,366.0
Cc1ccc([C@@H]2C[C@](O)(c3ccccn3)C[C@](O)(c3ccccn3)[C@H]2C(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,CC#N,364.0
Cc1ccc([C@@H]2C[C@](O)(c3ccccn3)C[C@](O)(c3ccccn3)[C@H]2C(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,CCO,366.0
Cc1ccc([C@@H]2C[C@](O)(c3ccccn3)C[C@](O)(c3ccccn3)[C@H]2C(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,CCOC(C)=O,366.0
Cc1ccc([C@@H]2C[C@](O)(c3ccccn3)C[C@](O)(c3ccccn3)[C@H]2C(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,CN(C)C=O,360.0
Cc1ccc([C@@H]2C[C@](O)(c3ccccn3)C[C@](O)(c3ccccn3)[C@H]2C(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,ClCCl,372.0
Cc1ccc([C@@H]2C[C@](O)(c3ccccn3)C[C@](O)(c3ccccn3)[C@H]2C(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,c1ccccc1,370.0
Cc1ccc2[nH]c(-c3ccc(-c4ccc(-c5ccc(-c6nc7cc(C)ccc7[nH]6)cc5)cc4)cc3)nc2c1,CN(C)C=O,351.0
Cc1ccc2c(c1)C(=O)c1ccncc1-2,CC#N,408.9490098
Cc1ccc2c(c1)C(=O)c1ccncc1-2,CCCCCC,408.9490098
Cc1ccc2c(c1)C(C)(C)C1(C=Cc3c(c(-c4nc(-c5ccccc5)c(-c5ccccc5)o4)cc4ccccc34)O1)N2C,Cc1ccccc1,309.0
Cc1ccc2c(c1)NC(=O)CC(=O)N2,CS(C)=O,294.0
Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cccc(-n2c3ccc(C)cc3c3cc(C)ccc32)c1C#N,Cc1ccccc1,368.0
Cc1ccc2c3ccc(C(C)(C)C)cc3n[n+](-c3cccc(C(C)(C)C)c3)c2c1,ClCCl,462.0
Cc1ccc2c3ccc(C)cc3c3cc4c(C)cc(=O)oc4cc3c2c1,ClC(Cl)Cl,386.0
Cc1ccc2ccc3c(C)ccc4ccc1c2c43,CCCCCC,344.0
Cc1ccc2ccc3c(C)ccc4ccc1c2c43,CO,344.0
Cc1ccc2ccc3c(C)ccc4ccc1c2c43,ClCCl,346.0
Cc1ccc2nc(-c3cc(-c4ccc(Cl)cc4)n(C)n3)c(NC(C)(C)C)n2c1,ClC(Cl)Cl,329.16
Cc1ccc2nc(-c3cccc4nc(C)[nH]c(=O)c34)[nH]c2c1,CN(C)C=O,322.0
Cc1ccc2nc(/C=C/c3ccc(N(C)C)cc3)c(-c3ccccc3)nc2c1,C1COCCO1,430.0
Cc1ccc2nc(/C=C/c3ccc(N(C)C)cc3)c(-c3ccccc3)nc2c1,CC#N,433.0
Cc1ccc2nc(/C=C/c3ccc(N(C)C)cc3)c(-c3ccccc3)nc2c1,ClCCl,436.0
Cc1cccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c1C,CS(C)=O,560.0
Cc1cccc(C)c1,C1CCCCC1,259.7402597
Cc1cccc(C)c1,CCCCCC,288.0
Cc1cccc(C)c1[N+]1=Cc2cccn2[B-]1(c1ccccc1)c1ccccc1,C1CCOC1,353.2763532763533
Cc1cccc(N2c3c(sc4ccccc34)Sc3sc4ccccc4c32)c1,ClCCl,309.0
Cc1cccc2cc3c(=O)n(C)c(=O)n(C)c3nc12,CC#N,359.0
Cc1cccc2cc3c(=O)n(C)c(=O)n(C)c3nc12,CC(C)O,360.0
Cc1cccc2cc3c(=O)n(C)c(=O)n(C)c3nc12,CCO,359.0
Cc1cccc2cc3c(=O)n(C)c(=O)n(C)c3nc12,CO,361.0
Cc1cccc2cc3c(=O)n(C)c(=O)n(C)c3nc12,ClC(Cl)Cl,362.0
Cc1cccc2cc3c(=O)n(C)c(=O)n(C)c3nc12,ClCCl,362.0
Cc1ccccc1-c1coc2cc(O)ccc2c1=O,O,337.0
Cc1ccccc1C1=C2C=CC(=[N+](C)C)C=C2[Te](=O)c2cc(N(C)C)ccc21,O,669.0
Cc1ccccc1C1=C2C=CC(=[N+]3CCC3)C=C2P(=O)(c2ccccc2)c2cc(N3CCC3)ccc21,O,699.0
Cc1ccccc1C1=C2C=c3c(oc4ccccc34)=[N+]2[B-](F)(F)n2c1cc1c3ccccc3oc12,C1CCCCC1,586.5
Cc1ccccc1C1=C2C=c3c(oc4ccccc34)=[N+]2[B-](F)(F)n2c1cc1c3ccccc3oc12,CCOC(C)=O,582.0
Cc1ccccc1C1=C2C=c3c(oc4ccccc34)=[N+]2[B-](F)(F)n2c1cc1c3ccccc3oc12,CO,580.5
Cc1ccccc1OCc1nnc(-c2ccn3c(C)nc(Cl)c3c2)o1,CC#N,377.0
Cc1cccn2c1cc1c3ccccc3nc(-c3ccc(Cl)o3)c12,CS(C)=O,405.0
Cc1cnc2c(n1)C(=O)NC(N)(C(=O)C(C)(C)C)N2,C1CCOC1,331.0
Cc1n[nH]c2c1C(c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2,C1CCOC1,261.0
Cc1n[nH]c2c1C(c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2,C1COCCO1,260.0
Cc1n[nH]c2c1C(c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2,CC#N,265.0
Cc1n[nH]c2c1C(c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2,CCCCO,266.0
Cc1n[nH]c2c1C(c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2,CCCO,266.0
Cc1n[nH]c2c1C(c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2,CCO,267.0
Cc1n[nH]c2c1C(c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2,CCOC(C)=O,262.0
Cc1n[nH]c2c1C(c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2,CN(C)C=O,263.0
Cc1n[nH]c2c1C(c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2,CO,268.0
Cc1n[nH]c2c1C(c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2,CS(C)=O,264.0
Cc1n[nH]c2c1C(c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2,Cc1ccccc1,259.0
Cc1n[nH]c2c1C(c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2,ClCCl,263.0
Cc1nc2c(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2s1,C1CCOC1,423.0
Cc1nc2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)c2s1,C1CCOC1,420.0
Cc1nc2c(c[n+]1C)CN1C(=O)N([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)C=CC1=N2,CC#N,390.0
Cc1nc2c(c[n+]1C)CN1C(=O)N([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)C=CC1=N2,CC(C)=O,391.0
Cc1nc2c(c[n+]1C)CN1C(=O)N([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)C=CC1=N2,CCCCO,390.0
Cc1nc2c(c[n+]1C)CN1C(=O)N([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)C=CC1=N2,CCCO,390.0
Cc1nc2c(c[n+]1C)CN1C(=O)N([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)C=CC1=N2,CCO,390.0
Cc1nc2c(c[n+]1C)CN1C(=O)N([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)C=CC1=N2,CO,390.0
Cc1nc2c(c[n+]1C)CN1C(=O)N([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)C=CC1=N2,O,384.0
Cc1nc2c(c[n+]1C)CN1C(=O)N([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)C=CC1=N2,[2H]OC,390.0
Cc1nc2c(c[n+]1C)CN1C(=O)N([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)C=CC1=N2,[2H]OCC,390.0
Cc1nc2c(c[n+]1C)CN1C(=O)N([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)C=CC1=N2,[2H]O[2H],384.0
Cc1nc2c(cc3c4c(cccc42)C(=O)OC3=O)o1,CCO,360.0
Cc1nc2cccc(-c3nc4ccccc4o3)c2c(=O)[nH]1,CN(C)C=O,310.0
Cc1nccnc1C(=O)C=Cc1ccc(F)cc1,CCO,305.0
Cc1nn(-c2ccccc2)c2nc3c(F)c(F)c(F)c(F)c3cc12,CCO,395.0
Cc1nn2c(N=Nc3cccc([N+](=O)[O-])c3)c(-c3ccccc3)[nH]c2c1N=Nc1ccccc1,C1COCCO1,542.0
Cc1nnc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)o1,Cc1ccccc1,340.0
Cc1nsc2nc3c(F)c(F)c(F)c(F)c3cc12,CCO,363.0
Clc1ccc(-c2cc(-c3nnc(COc4ccc(Cl)cc4Cl)o3)n(Cc3ccc(Cl)nc3)n2)cc1,ClCCl,261.0
Clc1ccc(-c2ccc3cc4ccccc4nc3n2)cc1,CC(C)=O,392.0
Clc1ccc(-c2nc(-c3ccccc3)sc2N(c2ccccc2)c2ccccc2)cc1,ClC(Cl)Cl,366.0
Clc1ccc(N=NC(=NNc2ccccc2)c2ccccc2)cc1,CO,489.0
Clc1ccc(Nc2ccc3ccccc3n2)cc1,CCO,350.0
Clc1ccc(Nc2ccc3ccccc3n2)cc1,CCOC(C)=O,347.0
Clc1ccc(Nc2ccc3ccccc3n2)cc1,Cc1ccccc1,347.0
Clc1ccc2c(c1)c1cccc3cnc2n31,CO,428.0
Clc1ccc2cc3cccc[n+]3cc2c1,O,400.0
Clc1sc(Cl)c(Cl)c1Cl,CC(C)=O,579.0
Cn1c(-c2ccccc2)c(N=Nc2nncs2)c2ccccc21,CS(C)=O,452.0
Cn1c(/C=C(\C#N)C(=O)O)ccc1C1=Nc2ccc(N(c3ccccc3)c3ccccc3)cc2C1(C)C,C1CCOC1,395.0
Cn1c(=O)/c(=C/c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s/c1=C(/C#N)C(=O)O,ClCCl,496.0
Cn1c(=O)c2c(nc(/C=C/c3cccc(Cl)c3)n2C)n(C)c1=O,ClCCl,357.0
Cn1c2cc(-c3ccc(-c4ccc5c6nc7ccccc7nc6n(C)c5c4)s3)ccc2c2nc3ccccc3nc21,ClC(Cl)Cl,440.0
Cn1c2ccc(S(=O)(=O)O)cc2c(=O)c2cc(S(=O)(=O)O)ccc21,CS(C)=O,405.0
Cn1c2ccc(S(=O)(=O)O)cc2c(=O)c2cc(S(=O)(=O)O)ccc21,O,403.0
Cn1c2ccccc2c2cc(C=C(C#N)c3ccc(C=C(C#N)C(=O)O)s3)ccc21,ClC(Cl)Cl,488.0
Cn1c2ccccc2c2cc(C=C(C#N)c3ccc(C=C4SC(=S)N(CC(=O)O)C4=O)s3)ccc21,ClC(Cl)Cl,504.0
Cn1cc(C=C(C#N)c2ccc(C=Nc3ccc(C(=O)O)cc3)s2)c2ccccc21,ClC(Cl)Cl,452.0
FC(F)(F)c1cc(-c2ccnc3ncnn23)cc(C(F)(F)F)c1,ClCCl,296.0
FC(F)(F)c1cc2c3c([o+]c(-c4ccccc4)c(-c4ccccc4)c3c1)N1C(c3ccccc3)=C(c3ccccc3)c3ccccc3C1=C2c1ccccc1,ClCCl,518.0
FC(F)(F)c1cc2n(n1)[B-]1(c3ccccc3Oc3ccccc31)[n+]1ccc3ccccc3c1-2,C1CCCCC1,375.0
FC(F)(F)c1cc2n(n1)[B-]1(c3ccccc3Oc3ccccc31)[n+]1ccc3ccccc3c1-2,Cc1ccccc1,378.0
FC(F)(F)c1cc2n(n1)[B-]1(c3ccccc3Oc3ccccc31)[n+]1ccc3ccccc3c1-2,ClCCl,372.0
FC(F)(F)c1ccc(-c2c3cccc4c5cccc6c(-c7ccc(C(F)(F)F)cc7)c7cccc8c9cccc2c9c(c34)c(c65)c78)cc1,Cc1ccccc1,683.0
FC(F)(F)c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)c3nsnc23)cc1,Cc1ccccc1,420.0
FC(F)(F)c1ccc(-c2nc3c(c4c2-c2ccc(Br)cc2CC4)-c2ccc(Br)cc2CC3)cc1,ClC(Cl)Cl,346.0
FC(F)(F)c1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CC#N,333.0
FC(F)(F)c1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CC(C)=O,342.0
FC(F)(F)c1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CCCCCCCC,337.0
FC(F)(F)c1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CCCCCCCCCCO,340.0
FC(F)(F)c1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CCCCCCCCO,342.0
FC(F)(F)c1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CCCCCO,341.0
FC(F)(F)c1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CCCO,340.0
FC(F)(F)c1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CN(C)C=O,345.0
FC(F)(F)c1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CO,337.0
FC(F)(F)c1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(-c5cc6ccccc6s5)cc4)o3)cc2)cc1,CS(C)=O,342.0
FC(F)(F)c1ccc(/C=C2\C=C(c3ccccc3)C=C2c2ccccc2)cc1,C1CCOC1,450.0
FC(F)(F)c1ccc(C2=Cc3ccccc3[Si]2(c2ccccc2)c2ccccc2)cc1,ClCCl,336.0
FC(F)(F)c1ccc2oc3nc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4cc3c2c1,ClC(Cl)Cl,342.0
F[B-]1(F)C2=C(C=c3c4cccc5cccc(c54)n31)c1cccc3ccc[n+]2c13,CS(C)=O,622.0
F[B-]1(F)N2C=CN=CC2=[N+]2[N+]1=Cc1c(-c3ccccc3)cc(-c3ccccc3)n1[B-]2(F)F,ClCCl,528.0
F[B-]1(F)OC(C#Cc2ccccc2)=C2CCc3ccccc3C2=[O+]1,ClCCl,431.0
F[B-]1(F)OC(c2cccc(Br)c2)=Cc2c3ccccc3cc[n+]21,ClC(Cl)Cl,399.5
F[B-]1(F)n2c(-c3ccccc3)c3ccc4ccccc4c3c2N=C2c3c(ccc4ccccc34)C(c3ccccc3)=[N+]21,ClCCl,737.0
F[B-]1(F)n2c(-c3ccccc3)cc(-c3cccs3)c2N=C2C(c3cccs3)=CC(c3ccccc3)=[N+]21,ClCCl,683.0
F[B-]1(F)n2c(/C=C/c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)ccc2C(c2ccccc2)=C2C=CC(/C=C/c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)=[N+]21,C1CCOC1,665.0
F[B-]1(F)n2c(c3cccc4cccc2c43)=Nc2sc3ccccc3[n+]21,C1CCOC1,479.0
F[B-]1(F)n2c(c3cccc4cccc2c43)=Nc2sc3ccccc3[n+]21,CC#N,472.0
F[B-]1(F)n2c(c3cccc4cccc2c43)=Nc2sc3ccccc3[n+]21,CCCCCC,481.0
F[B-]1(F)n2c(c3cccc4cccc2c43)=Nc2sc3ccccc3[n+]21,Cc1ccccc1,482.0
F[B-]1(F)n2c(c3cccc4cccc2c43)=Nc2sc3ccccc3[n+]21,ClCCl,448.0
F[B-]1(F)n2c(ccc2-c2cccs2)C(c2ccc(Br)cc2)=C2C=CC(c3cccs3)=[N+]21,ClC(Cl)Cl,622.0
F[B-]1(F)n2c(ccc2-n2cccn2)C(c2ccccc2)=C2C=CC(n3cccn3)=[N+]21,ClCCl,560.0
F[B-]1(F)n2c3[n+](c4ccccc42)[B-](F)(F)n2c(cc4c2CCCC4)C3=C2C=C3CCCCC3=[N+]21,ClCCl,622.0
F[B-]1(F)n2cccc2C(c2ccccc2)=C2C=CC=[N+]21,Cc1ccccc1,503.0
F[B-]1(F)n2cccc2C(c2ccccc2)=C2C=CC=[N+]21,ClCCl,500.0
F[B-]1(F)n2cccc2C=C2C=CC=[N+]21,C1CCCCC1,503.5
F[B-]1(F)n2cccc2C=C2C=CC=[N+]21,CC(C)=O,497.5
F[B-]1(F)n2cccc2C=C2C=CC=[N+]21,CCCCCC,502.0
F[B-]1(F)n2cccc2C=C2C=CC=[N+]21,CCO,498.0
F[B-]1(F)n2cccc2C=C2C=CC=[N+]21,CCOC(C)=O,498.0
F[B-]1(F)n2cccc2C=C2C=CC=[N+]21,CO,497.0
F[B-]1(F)n2cccc2C=C2C=CC=[N+]21,ClCCl,503.0
F[B-]1(F)n2cccc2C=C2C=CC=[N+]21,OCC(F)(F)F,497.0
F[Si-](F)(c1c2ccccc2cc2ccccc12)(c1c2ccccc2cc2ccccc12)c1c2ccccc2cc2ccccc12,C1CCOC1,392.0
Fc1c(F)c(-n2c3ccccc3c3ccccc32)c(F)c(-n2c3ccccc3c3ccccc32)c1-c1nnc(-c2ccccc2)o1,Cc1ccccc1,347.0
Fc1c(F)c(-n2c3ccccc3c3ccccc32)c(F)c(F)c1/C=C/c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,367.0
Fc1c(F)c(F)c2c(c1F)c1cccc3cnc2n31,CO,450.0
Fc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2c3c(ccc21)C1(c2ccccc2-c2ccccc21)c1ccccc1-3,Cc1ccccc1,370.0
Fc1ccc(-c2cc(-c3ccc(F)cc3)c3ccc4c(-c5ccc(F)cc5)cc(-c5ccc(F)cc5)c5ccc2c3c54)cc1,C1CCCCC1,387.0
Fc1ccc(-n2c(N=Nc3ccc4ncsc4c3)ccc2-c2cccs2)cc1,CS(C)=O,468.0
Fc1ccc(-n2c(N=Nc3nc4ccccc4s3)ccc2-c2cccs2)cc1,CS(C)=O,526.0
Fc1ccc(C2=C(c3ccc(F)cc3)c3ccc4c5c(ccc(c35)O2)OC(c2ccc(F)cc2)=C4c2ccc(F)cc2)cc1,ClCCl,487.0
Fc1ccc(F)c(-c2cc3c4c(ccc5c4c2OC(c2ccccc2)=C5c2ccccc2)C(c2ccccc2)=C(c2ccccc2)O3)c1,ClCCl,492.0
Fc1ccc([N+]2=Cc3cccn3[B-]2(c2ccccc2)c2ccccc2)cc1,C1CCOC1,381.5384615384616
Fc1cccc(C2=Cc3ccc4ccccc4[n+]3[B-](F)(F)O2)c1,ClC(Cl)Cl,425.0
N#C/C(=C/c1ccc(-c2cc(C=C3C=C(c4ccccc4)OC(c4ccccc4)=C3)c(-c3ccc(/C=C(/C#N)C(=O)O)cc3)s2)cc1)C(=O)O,CN(C)C=O,450.0
N#C/C(=C/c1ccc(-c2ccc(N(c3ccc(C(=O)O)cc3)c3ccc(-c4ccc(/C=C(/C#N)C(=O)O)s4)cc3)cc2)s1)C(=O)O,ClCCl,487.0
N#C/C(=C/c1ccc(-c2ccc3oc4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc4c3c2)o1)C(=O)O,C1CCOC1,384.0
N#C/C(=C/c1ccc2c(c1)C1CCCC1N2c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)O,CCO,450.0
N#C/C(=C/c1ccc2c(c1)Sc1ccccc1N2CCCCCCN1c2ccccc2Sc2cc(/C=C(\C#N)C(=O)O)ccc21)C(=O)O,CN(C)C=O,417.0
N#C/C(=C\C=C\c1ccccc1)c1ccc(N2c3ccccc3Cc3ccccc32)cc1,C1CCOC1,348.0
N#C/C(=C\c1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(-c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)s2)s1)C(=O)O,ClCCl,493.0
N#C/C(=C\c1cc2c3c(c1)CCCN3CCC2)C(=O)O,CCO,430.0
N#C/C(=C\c1cc2sc3cc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5nc(-c6ccccc6)c(-c6ccccc6)nc45)sc3c2s1)C(=O)O,CN(C)C=O,479.0
N#C/C(=C\c1ccc(-c2cc3cc(-c4ccc(N5c6ccccc6C6C7CCC(C7)C65)cc4)sc3s2)s1)C(=O)O,ClCCl,511.0
N#C/C(=C\c1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccc6c(c5)OCCO6)c5ccc6c(c5)OCCO6)cc4)s3)s2)s1)C(=O)O,ClCCl,526.0
N#C/C(=C\c1ccc(-c2ccc(-c3ccc(/C=C(\C#N)c4ccc([N+](=O)[O-])cc4)s3)c3c2C(=O)N(c2ccc(C(=O)O)cc2)C3=O)s1)c1ccc([N+](=O)[O-])cc1,C1CCOC1,632.0
N#C/C(=C\c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)OCCO5)c4ccc5c(c4)OCCO5)cc3)s2)s1)C(=O)O,CN(C)C=O,503.0
N#C/C(=C\c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)OCCO5)c4ccc5c(c4)OCCO5)cc3)s2)s1)C(=O)O,ClCCl,503.0
N#C/C(=C\c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)c2nc(-c3ccccc3)c(-c3ccccc3)nc12)C(=O)O,CN(C)C=O,483.0
N#C/C(=C\c1ccc(-c2ccc(-c3ccc(N4c5ccccc5C=Cc5ccccc54)cc3)c3nsnc23)cc1)C(=O)O,ClCCl,450.0
N#C/C(=C\c1ccc(-c2ccc(-c3ccc4c(c3)C(=O)c3ccccc3-4)s2)s1)C(=O)O,C1CCOC1,376.0
N#C/C(=C\c1ccc(-c2ccc(C#Cc3c4ccccc4c(-c4ccc(N(c5ccccc5)c5ccccc5)s4)c4ccccc34)s2)s1)C(=O)O,CCO,485.0
N#C/C(=C\c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C4CCCC4N5c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)C4CCCC4N5c4ccccc4)cc3)cc2)s1)C(=O)O,ClC(Cl)Cl,479.0
N#C/C(=C\c1ccc(-c2ccc(N(c3ccc(/C=C/c4cccs4)cc3)c3ccc(/C=C/c4cccs4)cc3)cc2)o1)C(=O)O,ClCCl,476.0
N#C/C(=C\c1ccc(-c2ncc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nsnc23)s1)C(=O)O,ClCCl,546.0
N#C/C(=C\c1ccc(-c2sc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3c2OCCO3)c(F)c1)C(=O)O,CN(C)C=O,440.0
N#C/C(=C\c1ccc(/C=C/c2ccc(/C=C/c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)cc1)C(=O)O,ClCCl,439.0
N#C/C(=C\c1ccc(/C=C/c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)cc1F)C(=O)O,C1CCOC1,427.0
N#C/C(=C\c1ccc(C#Cc2c3ccccc3c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccccc23)s1)C(=O)O,ClCCl,494.0
N#C/C(=C\c1ccc(C=C(c2ccccc2)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1,C1CCOC1,381.0
N#C/C(=C\c1ccc(N(c2ccc(N(c3ccccc3)c3ccc4ccc5cccc6ccc3c4c56)cc2)c2ccc3ccc4cccc5ccc2c3c45)cc1)C(=O)O,C1CCOC1,413.0
N#C/C(=C\c1ccc(N(c2ccc(N(c3ccccc3)c3ccc4ccc5cccc6ccc3c4c56)cc2)c2ccc3ccc4cccc5ccc2c3c45)cc1)C(=O)O,CC#N,406.0
N#C/C(=C\c1ccc(N(c2ccc(N(c3ccccc3)c3ccc4ccc5cccc6ccc3c4c56)cc2)c2ccc3ccc4cccc5ccc2c3c45)cc1)C(=O)O,CO,407.0
N#C/C(=C\c1ccc(N(c2ccc(N(c3ccccc3)c3ccc4ccc5cccc6ccc3c4c56)cc2)c2ccc3ccc4cccc5ccc2c3c45)cc1)C(=O)O,Cc1ccccc1,415.0
N#C/C(=C\c1ccc(N(c2ccc(N(c3ccccc3)c3ccc4ccc5cccc6ccc3c4c56)cc2)c2ccc3ccc4cccc5ccc2c3c45)cc1)C(=O)O,ClCCl,414.0
N#C/C(=C\c1ccc2c(c1)C(CCCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(CCCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)c1cc(N(c3ccc(OCCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc3)c3ccc(OCCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc3)ccc1-2)C(=O)O,CCO,434.0
N#C/C(=C\c1ccc2c(c1)c1ccccc1n2-c1ccccc1)C(=O)O,CC#N,408.0
N#CC(=C(C#N)c1ccc(-n2ccc3ccccc32)cc1)c1ccc(-n2ccc3ccccc32)cc1,C1CCOC1,572.0
N#CC(=Cc1ccc(-c2c3ccccc3c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccccc23)s1)C(=O)O,ClCCl,401.0
N#CC(=Cc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)s3)c3nsnc23)s1)C(=O)O,C1CCOC1,541.0
N#CC(=Cc1ccc(-c2ccc(C#C[Ru]34(C#Cc5ccc(-n6c7ccccc7c7ccccc76)cc5)([PH](c5ccccc5)(c5ccccc5)CC[PH]3(c3ccccc3)c3ccccc3)[PH](c3ccccc3)(c3ccccc3)CC[PH]4(c3ccccc3)c3ccccc3)c3nsnc23)cc1)C(=O)O,ClCCl,564.0
N#CC(=Cc1ccc(-c2ccc(C#C[Ru]34(C#Cc5ccc(-n6c7ccccc7c7ccccc76)cc5)([PH](c5ccccc5)(c5ccccc5)CC[PH]3(c3ccccc3)c3ccccc3)[PH](c3ccccc3)(c3ccccc3)CC[PH]4(c3ccccc3)c3ccccc3)c3nsnc23)s1)C(=O)O,ClCCl,650.0
N#CC(=Cc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1)C(=O)O,CC#N,404.0
N#CC(=Cc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1)C(=O)O,ClC(Cl)Cl,463.0
N#CC(=Cc1ccc(-c2ccc3c(c2)Sc2ccccc2N3C2CCCCC2)s1)C(=O)O,CN(C)C=O,408.0
N#CC(=Cc1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)n1-c1ccc(C#N)cc1)C(=O)O,ClCCl,490.0
N#CC(=Cc1ccc(/C=N/N(c2ccccc2)c2ccccc2)s1)C(=O)O,C1CCOC1,465.0
N#CC(=Cc1ccc(C#Cc2ccc(-n3c4ccccc4c4ccccc43)cc2)s1)C(=O)O,ClC(Cl)Cl,409.0
N#CC(=Cc1ccc(C(C#N)=Cc2ccc(-c3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)s2)s1)C(=O)O,C1CCOC1,463.0
N#CC(=Cc1ccc(C(C#N)=Cc2ccc(-c3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)s2)s1)C(=O)O,Cc1ccccc1,440.0
N#CC(=Cc1ccc(C=C2C=C(c3ccccc3)OC(c3ccccc3)=C2)o1)C(=O)O,ClC(Cl)Cl,568.0
N#CC(=Cc1ccc(C=Cc2c3ccccc3c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccccc23)s1)C(=O)O,ClCCl,464.0
N#CC(=Cc1ccc(N(c2ccccc2)c2ccc(C3=NC(c4ccc(-c5cccs5)cc4)C(c4ccc(-c5cccs5)cc4)N3)cc2)cc1)C(=O)O,CCO,411.0
N#CC(=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)O,C1CCOC1,367.5
N#CC(=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)O,CC#N,373.0
N#CC(=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)O,CCO,410.0
N#CC(=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)O,CO,400.0
N#CC(=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)O,ClC(Cl)Cl,439.0
N#CC(=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(Cl)cc1,C1CCCCC1,409.0
N#CC(=Cc1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1,C1CCOC1,639.0
N#CC(=Cc1cccc2ccccc12)c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1,C1CCOC1,395.0
N#CC(=Cc1ccccc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1,C1CCOC1,397.0
N#CC(C#N)=C(/C=C/c1ccc(N(c2ccccc2)c2ccc(/C=C/C(=C(C#N)C#N)c3ccccc3)cc2)cc1)c1ccccc1,C1COCCO1,507.0
N#CC(C#N)=C(/C=C/c1ccc(N(c2ccccc2)c2ccc(/C=C/C(=C(C#N)C#N)c3ccccc3)cc2)cc1)c1ccccc1,Cc1ccccc1,508.0
N#CC(C#N)=Cc1ccc2c(c1)c1cc(C=C(C#N)C#N)ccc1n2-c1cccc2ccccc12,ClCCl,418.0
N#CC(C#N)=c1[nH]c(=O)c(=Cc2ccc(N(c3ccc(-c4cccs4)cc3)c3ccc(-c4cccs4)cc3)cc2)s1,ClCCl,535.0
N#CC1=CC(/C=C/c2ccccc2)=CC(C#N)=P1(c1ccccc1)c1ccccc1,ClC(Cl)Cl,506.0
N#CC1=CC(Br)=CC(C#N)=P1(c1ccccc1)c1ccccc1,ClC(Cl)Cl,482.0
N#CC=C(c1ccc(N2c3ccccc3Oc3ccccc32)cc1)c1ccc(N2c3ccccc3Oc3ccccc32)cc1,Cc1ccccc1,405.0
N#Cc1c(-c2ccccc2)c(N)n2ccncc12,CN(C)C=O,399.0
N#Cc1c(-n2c3ccc(I)cc3c3cc(I)ccc32)c(-n2c3ccc(I)cc3c3cc(I)ccc32)c(C#N)c(-n2c3ccc(I)cc3c3cc(I)ccc32)c1-n1c2ccc(I)cc2c2cc(I)ccc21,Cc1ccccc1,361.0
N#Cc1c(-n2c3ccc(I)cc3c3cc(I)ccc32)c(C#N)c(-n2c3ccc(I)cc3c3cc(I)ccc32)c(-n2c3ccc(I)cc3c3cc(I)ccc32)c1-n1c2ccc(I)cc2c2cc(I)ccc21,Cc1ccccc1,384.0
N#Cc1c(-n2c3ccccc3c3ccccc32)cc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)cc1-n1c2ccccc2c2ccccc21,Cc1ccccc1,368.0
N#Cc1c(-n2nnc3ccc(Cl)cc32)n([C@H]2C[C@H](O)[C@@H](CO)O2)c2ncnc(N)c12,CO,276.0
N#Cc1c(N)sc(N=NC2NC=C([N+](=O)[O-])S2)c1-c1ccc(Cl)cc1,CC(C)=O,582.0
N#Cc1c(N2CCCC2)cc(-c2ccccc2)c2c1-c1ccccc1C2,C1CCOC1,353.0
N#Cc1c(N2CCCCC2)cc(-c2ccc3ccc4cccc5ccc2c3c45)c2c1-c1ccccc1C2=O,C1CCOC1,393.0
N#Cc1c2c3c(oc(=O)c2c(=N)n2[nH]c(-c4ccccc4)cc12)-c1ccccc1SC3,CN(C)C=O,442.0
N#Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cc(Br)ccc32)cc1C#N,C1CCOC1,366.0
N#Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cc1C#N,C1CCOC1,368.0
N#Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cc1C#N,CC#N,367.0
N#Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cc1C#N,Cc1ccccc1,375.0
N#Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cc1C#N,ClCCl,364.0
N#Cc1cc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)n1,Cc1ccccc1,342.0
N#Cc1cc(C#N)c(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,405.0
N#Cc1cc2cc3ccccc3nc2nc1N,CC(C)=O,387.0
N#Cc1cc2ccc3ccc4ccccc4c3c2c2c1ccc1ccc3ccccc3c12,ClCCl,267.0
N#Cc1ccc(-n2cccc2)cc1,C1CCOC1,287.0
N#Cc1ccc(-n2cccc2)cc1,CC#N,287.0
N#Cc1ccc(-n2cccc2)cc1,CCCCCC,287.0
N#Cc1ccc(-n2cccc2)cc1,CCOCC,287.0
N#Cc1ccc(-n2cccc2)cc1,ClCCl,287.0
N#Cc1ccc(-n2ncc(-c3ccccc3)n2)cc1,CO,309.0
N#Cc1ccc(/C=C2\C=C(c3ccccc3)OC2=O)cc1,C1COCCO1,400.0
N#Cc1ccc(C2=Cc3cc4ccccc4cc3P2(=O)c2ccccc2)cc1,ClCCl,391.0
N#Cc1ccc(N)c2nonc12,C1COCCO1,418.0
N#Cc1ccc(N)c2nonc12,CC#N,421.0
N#Cc1ccc(N)c2nonc12,CCCCCC,397.0
N#Cc1ccc(N)c2nonc12,CCO,430.0
N#Cc1ccc(N)c2nonc12,Cc1ccccc1,409.0
N#Cc1ccc(N)c2nonc12,ClCCl,407.0
N#Cc1ccc(N)c2nonc12,O,430.0
N#Cc1ccc(NC(=NCC(=O)O)NC(c2ccccc2)c2ccccc2)cc1,CC#N,306.3
N#Cc1ccc2/c(=C/c3ccc(N4CCCCC4)cc3)o/c(=C\c3ccccc3)c2c1,ClCCl,438.0
N#Cc1ccc2c(c1)CCc1nc(-c3ccc([N+](=O)[O-])cc3)c3c(c1-2)CCc1cc(C#N)ccc1-3,C1CCOC1,331.0
N#Cc1ccc2c(c1)CCc1nc(-c3ccc([N+](=O)[O-])cc3)c3c(c1-2)CCc1cc(C#N)ccc1-3,CC#N,349.0
N#Cc1ccc2c(c1)CCc1nc(-c3ccc([N+](=O)[O-])cc3)c3c(c1-2)CCc1cc(C#N)ccc1-3,CCCCCC,350.0
N#Cc1ccc2c(c1)CCc1nc(-c3ccc([N+](=O)[O-])cc3)c3c(c1-2)CCc1cc(C#N)ccc1-3,CCOC(C)=O,329.0
N#Cc1ccc2c(c1)CCc1nc(-c3ccc([N+](=O)[O-])cc3)c3c(c1-2)CCc1cc(C#N)ccc1-3,CO,333.0
N#Cc1ccc2c(c1)CCc1nc(-c3ccc([N+](=O)[O-])cc3)c3c(c1-2)CCc1cc(C#N)ccc1-3,CS(C)=O,360.0
N#Cc1ccc2c(c1)CCc1nc(-c3ccc([N+](=O)[O-])cc3)c3c(c1-2)CCc1cc(C#N)ccc1-3,Cc1ccccc1,343.0
N#Cc1ccc2c(c1)CCc1nc(-c3ccc([N+](=O)[O-])cc3)c3c(c1-2)CCc1cc(C#N)ccc1-3,ClCCl,345.0
N#Cc1cccc(N)c1C#N,CC#N,349.0
N#Cc1cccc(N)c1C#N,CCCCCCC,334.0
N#Cc1cccc(N)c1C#N,CCO,354.0
N#Cc1cccc(N)c1C#N,O,346.0
N#Cc1nc(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)c(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)nc1C#N,Cc1ccccc1,473.0
N#Cc1nc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)n1,Cc1ccccc1,371.0
N#Cc1nc2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc3c2nc1C#N,Cc1ccccc1,442.0
N#Cc1nc2cnc(N)nc2n1Cc1ccccc1,C1COCCO1,331.0
N#Cc1nc2cnc(N)nc2n1Cc1ccccc1,CC#N,330.0
N#Cc1nc2cnc(N)nc2n1Cc1ccccc1,CO,333.0
N#Cc1nc2cnc(N)nc2n1Cc1ccccc1,ClCCl,326.0
N#Cc1nc2cnc(N)nc2n1Cc1ccccc1,O,331.0
N#Cc1nn(-c2ccc(F)cc2)nc1N1CCCC1,CC#N,340.0
N=C1NC(=O)c2c1c1c([nH]c2=O)C1,Cl,410.0
NCC(=O)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1,O,491.0
NN=Cc1ccccc1O,CCO,290.0
NNC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34,CO,341.0
NNC(=O)N1C(=O)c2cc(S(=O)(=O)[O-])cc3c(N)c(S(=O)(=O)[O-])cc(c23)C1=O,O,458.0
NPOPOP,Cc1ccccc1,708.0
Nc1cc2ccccc2oc1=O,CS(C)=O,259.0
Nc1cc2nc3cc(F)c(F)cc3nc2cc1N,CCO,433.0
Nc1ccc(/C=C/c2ccc3ccccc3c2)cc1,CC#N,348.0
Nc1ccc(/C=C/c2ccc3ccccc3c2)cc1,CCCCCC,342.0
Nc1ccc(Nc2nc(N(c3ccccc3)c3ccccc3)nc(N(c3ccccc3)c3ccccc3)n2)cc1,ClCCl,284.0
Nc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1,ClCCl,278.0
Nc1ccc2c(-c3cc4ccccc4c4ccccc34)c3ccc(=[NH2+])cc-3oc2c1,O,525.0
Nc1ccc2c(-c3ccc(Oc4ccccc4)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,495.0
Nc1ccc2c(-c3ccc(Oc4ccccc4)cc3)c3ccc(=[NH2+])cc-3sc2c1,O,515.0
Nc1ccc2c(-c3ccccc3)c3ccc(=[NH2+])cc-3sc2c1,O,520.0
Nc1ccc2c(c1)CCCc1c-2[o+]c2c(c1-c1ccccc1)CCCc1cc(N)ccc1-2,CCO,599.0
Nc1ccc2c3c(cccc13)C(=O)c1ccccc1-2,CO,514.1388175
Nc1ccc2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1,CC(C)=O,347.0
Nc1ccc2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1,CCCCCC,335.0
Nc1ccc2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1,CCCCO,348.0
Nc1ccc2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1,CCCO,348.0
Nc1ccc2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1,CCO,346.0
Nc1ccc2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1,CCOC(C)=O,347.0
Nc1ccc2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1,CN(C)C=O,356.0
Nc1ccc2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1,CO,344.0
Nc1ccc2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2c1,ClC(Cl)Cl,336.0
Nc1cnc2ccccc2c1,CS(C)=O,355.0
Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)c(N=Nc2cccc(Cl)c2)s1,CS(C)=O,486.0
Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1-c1ccco1,CCOC(C)=O,310.0
Nc1nc2c([nH]c(=O)n2[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1,O,294.9852507
Nc1nc2ccccc2[n+]([O-])n1,CC#N,407.0
Nc1nc2ccccc2[n+]([O-])n1,O,415.0
Nc1ncnc2c1nc(-c1ccco1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CCOC(C)=O,304.0
Nc1nn2c(-c3ccccc3)ccnc2c1N=Nc1ccccc1,C1CCCCC1,430.0
O=C(COc1ccc(-c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCC(=O)ON1C(=O)CCC1=O,CO,590.0
O=C(NCC12CC3CC(C1)CC(CNC(=O)Nc1ccc4ccc5cccc6ccc1c4c56)(C3)C2)Nc1ccc2ccc3cccc4ccc1c2c34,CS(C)=O,391.0
O=C(Nc1ccc(-c2c3nc(c(-c4ccc(NC(=O)C(F)(F)F)cc4)c4ccc([nH]4)c(-c4ccc(NC(=O)C(F)(F)F)cc4)c4nc(c(-c5ccc(NC(=O)C(F)(F)F)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(F)(F)F,CN(C)C=O,649.0
O=C(O)/C=C\c1ccc2c(c1)c1ccccc1n2-c1ccccc1,CC#N,386.0
O=C(O)C1=CC(=C/C=[N+]2/c3cc(O)c(C[C@@H]4O[C@H](CO)[C@@H](O)C(O)[C@H]4O)cc3C[C@H]2C(=O)O)C=C(C(=O)O)N1,CO,467.0
O=C(O)C1=CC(=C/C=[N+]2/c3cc(O)c(C[C@@H]4O[C@H](CO)[C@@H](O)C(O)[C@H]4O)cc3C[C@H]2C(=O)O)C=C(C(=O)O)N1,O,468.0
O=C(O)C1=CC(=C/C=[N+]2/c3cc(O)c(C[C@@H]4O[C@H](CO)[C@@H](O)C(O)[C@H]4O)cc3C[C@H]2C(=O)O)C=C(C(=O)O)N1,OCCO,476.0
O=C(O)C1=CC(=C/C=[N+]2/c3cc(O)c(C[C@@H]4O[C@H](CO)[C@@H](O)C(O)[C@H]4O)cc3C[C@H]2C(=O)O)C=C(C(=O)O)N1,[2H]O[2H],468.0
O=C(O)CCCCCCn1c2cc(-c3ccncc3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1COCCO1,375.0
O=C(O)CCCCCn1c2ccccc2c(=O)c2ccccc21,O,410.0
O=C(O)CCCc1cc2ccc3cccc4ccc(c1)c2c34,CO,374.0
O=C(O)CN1C(=O)/C(=C/c2ccc(-c3cc4c5c(c3)CCCN5CCC4)s2)SC1=S,CCO,493.0
O=C(O)CN1C(=O)/C(=C/c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccc(/C=C/c5ccc(/C=C6/SC(=S)N(CC(=O)O)C6=O)s5)cc4)cc3)s2)SC1=S,CCO,510.0
O=C(O)CN1C(=O)/C(=C/c2ccc(N(c3ccc(N4c5ccccc5Sc5ccccc54)cc3)c3ccc(N4c5ccccc5Sc5ccccc54)cc3)cc2)SC1=S,ClCCl,468.0
O=C(O)CN1C(=O)/C(=C/c2ccc(N(c3ccccc3)c3ccc(-c4cc5c6c(c4)CCCN6CCC5)cc3)cc2)SC1=S,CCO,471.0
O=C(O)CN1C(=O)/C(=C\c2cc(-c3cccs3)c(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2-c2cccs2)SC1=S,ClCCl,464.0
O=C(O)CN1C(=O)C(=Cc2ccc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)s2)SC1=S,ClCCl,464.0
O=C(O)CN1C(=O)C(=Cc2ccc(-c3ccc4ccc5cccc6ccc3c4c56)o2)SC1=S,C1CCOC1,468.0
O=C(O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1,ClC(Cl)(Cl)Cl,406.0
O=C(O)c1cc(C(=O)O)cc(-c2nc(-c3ccc(/C=C/c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)s3)nc(-c3ccc(/C=C/c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)s3)n2)c1,CN(C)C=O,463.0
O=C(O)c1cc(N=C=S)ccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12,O,494.0
O=C(O)c1cc([N+](=O)[O-])c(N=Nc2ccc(O)c3ccccc23)c([N+](=O)[O-])c1,CCOC(C)=O,440.0
O=C(O)c1ccc(-c2ccc(-c3nc(-c4ccccc4)c4ccccn34)cc2)s1,CC#N,362.0
O=C(O)c1ccc(-c2ccc(N(c3ccc(-c4ccc(C5=C6C=CC(c7ccccc7)=[N+]6[B-](F)(F)n6c5ccc6-c5ccccc5)s4)cc3)c3ccc(-c4ccc(C5=C6C=CC(c7ccccc7)=[N+]6[B-](F)(F)n6c5ccc6-c5ccccc5)s4)cc3)cc2)cc1,ClCCl,565.0
O=C(O)c1ccc(/C2=c3\cc/c4n3[Zn]n3c(ccc3/C(c3ccc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)cc3)=C3/C=CC2=N3)/C(c2ccc(OCc3cc(OCc5ccccc5)cc(OCc5ccccc5)c3)cc2)=C2/C=CC(=N2)/C=4c2ccc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)cc2)cc1,C1CCOC1,599.0
O=C(O)c1ccc2c(c1)c1cccc3cnc2n31,CO,420.0
O=C(O)c1cccc(N(c2ccccc2)c2ccccc2)c1,C1CCOC1,346.0
O=C(O)c1ccccc1-c1c2cc(Cl)c(=O)cc-2oc2cc(O)c(Cl)cc12,O,503.0
O=C(O)c1ccccc1C(=O)Nc1cccc2ccccc12,C1CCCCC1,285.0
O=C(O)c1ccccc1C(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O,CCO,493.0
O=C(O)c1ccccc1O,O,295.0
O=C(O[Na])c1ccccc1-c1c2cc(Br)c(=O)cc-2oc2c([Hg]O)c(O[Na])c(Br)cc12,CCO,517.0
O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(Cl)c(=O)c(Cl)c-2oc2c(Cl)c(O)c(Cl)cc12,O,537.0
O=C([O-])c1ccccc1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c([O-])c(Br)cc12,CC(C)O,529.0
O=C([O-])c1ccccc1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c([O-])c(Br)cc12,CCO,527.0
O=C([O-])c1ccccc1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c([O-])c(Br)cc12,CO,522.0
O=C([O-])c1ccccc1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c([O-])c(Br)cc12,O,515.0
O=C([O-])c1ccccc1-c1c2ccc(=[N+]3CCCC3)cc-2oc2cc(N3CCCC3)ccc12,O,553.0
O=C(c1ccccc1)c1c(Cc2ccccc2)oc2ccccc2c1=O,CC#N,460.0
O=C(c1ccccc1)c1ccc(COc2ccccc2)cc1,C1CCOC1,263.0
O=C(c1ccccc1)c1nn(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc1-c1ccccc1,C1CCOC1,365.0
O=C(c1ccccc1)c1nn(-c2ccccc2)nc1-c1ccccc1,C1CCOC1,330.0
O=C(c1ccccc1)c1nn(-c2ccccc2)nc1-c1ccccc1,CO,263.0
O=C(c1ccncc1)c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1,C1CCOC1,341.8312388
O=C(c1ccncc1)c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1,Cc1ccccc1,360.0840336
O=C(c1ccncc1)c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1,ClCCl,341.8312388
O=C1C(/C=C2/Sc3ccccc3N2CCCCS(=O)(=O)[O-])=C([O-])/C1=C/c1sc2ccccc2[n+]1CCCCS(=O)(=O)[O-],CO,669.0
O=C1C(=CC=C2C=C(c3ccccc3)C=C(c3ccccc3)O2)C(=O)c2cscc21,ClCCl,619.0
O=C1C(=CC=C2C=C(c3ccccc3)OC(c3ccccc3)=C2)C(=O)c2cscc21,ClCCl,538.0
O=C1C(=CC=CC=C2C=C(c3ccccc3)OC(c3ccccc3)=C2)C(=O)c2ccccc21,ClCCl,599.0
O=C1C=C(Nc2cc(F)cc(F)c2)C(=O)c2ccccc21,CO,448.0
O=C1C=CC(=O)N1c1ccc2ccc3cccc4ccc1c2c34,CO,338.0
O=C1CC(=O)Nc2cc([N+](=O)[O-])ccc2N1,CS(C)=O,312.0
O=C1CC(c2cc(O)cc(O)c2)Oc2cc(O)cc(O)c21,CO,240.0
O=C1CC(c2ccc(Cl)cc2)c2c(c3ccccc3c3nc4ccccc4nc23)O1,ClC(Cl)Cl,410.0
O=C1CC(c2ccc([N+](=O)[O-])cc2)c2c(c3ccccc3c3nc4ccccc4nc23)O1,ClC(Cl)Cl,408.0
O=C1CCCC2=C1CC1=C(CCCC1=O)N2NC(=O)c1ccccc1,C1CCOC1,366.0
O=C1CCCC2=C1CC1=C(CCCC1=O)N2NC(=O)c1ccccc1,CC#N,368.0
O=C1CCCC2=C1CC1=C(CCCC1=O)N2NC(=O)c1ccccc1,CC(C)=O,366.0
O=C1CCCC2=C1CC1=C(CCCC1=O)N2NC(=O)c1ccccc1,CCCCCO,376.0
O=C1CCCC2=C1CC1=C(CCCC1=O)N2NC(=O)c1ccccc1,CO,374.0
O=C1CCCC2=C1CC1=C(CCCC1=O)N2NC(=O)c1ccccc1,ClC(Cl)Cl,370.0
O=C1CCCC2=C1CC1=C(CCCC1=O)N2NC(=O)c1ccccc1,ClCCl,364.0
O=C1NC(c2ccccc2)=C2C(=O)OC(c3ccccc3)=C12,CS(C)=O,487.0
O=C1Nc2ccccc2/C1=C/C(=O)c1ccc([N+](=O)[O-])cc1,C1CCCCC1,341.0
O=C1Nc2ccccc2/C1=C/C(=O)c1ccc([N+](=O)[O-])cc1,C1COCCO1,343.0
O=C1Nc2ccccc2/C1=C/C(=O)c1ccc([N+](=O)[O-])cc1,CC#N,341.0
O=C1Nc2ccccc2/C1=C/C(=O)c1ccc([N+](=O)[O-])cc1,CC(C)(C)O,347.0
O=C1Nc2ccccc2/C1=C/C(=O)c1ccc([N+](=O)[O-])cc1,CC(C)O,345.0
O=C1Nc2ccccc2/C1=C/C(=O)c1ccc([N+](=O)[O-])cc1,CCCCCC,340.0
O=C1Nc2ccccc2/C1=C/C(=O)c1ccc([N+](=O)[O-])cc1,CCCCO,346.0
O=C1Nc2ccccc2/C1=C/C(=O)c1ccc([N+](=O)[O-])cc1,CCOC(C)=O,342.0
O=C1Nc2ccccc2/C1=C/C(=O)c1ccc([N+](=O)[O-])cc1,CN(C)C=O,344.0
O=C1Nc2ccccc2/C1=C/C(=O)c1ccc([N+](=O)[O-])cc1,CO,346.0
O=C1Nc2ccccc2/C1=C/C(=O)c1ccc([N+](=O)[O-])cc1,ClCCl,344.0
O=C1OC(=O)c2ccc3c4ccc(N5CCCCC5)c5cccc(c6ccc1c2c63)c54,ClC(Cl)Cl,489.0
O=C1OC(c2ccccc2)=C/C1=C\c1ccccc1,C1COCCO1,442.0
O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1,C1CCCCC1,497.5
O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1,C1CCOC1,500.0
O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1,C1COCCO1,502.0
O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1,CC#N,498.0
O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1,CC(C)=O,499.0
O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1,CC(C)CC(C)(C)C,492.0
O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1,CC1CCCCC1,498.5
O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1,CCCCC,489.0
O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1,CCCCCC,491.0
O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1,CCCCCCC,495.0
O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1,CCCCOCCCC,497.5
O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1,CCOC(C)=O,496.0
O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1,CCOCC,496.5
O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1,CN(C)C=O,504.0
O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1,CS(C)=O,506.0
O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1,Cc1ccccc1,505.5
O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1,ClC(Cl)Cl,509.5
O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(N=C=S)cc21,O,495.0
O=C1O[B-]2(OC1=O)OC(c1ccccc1)=CC(c1ccccc1)=[O+]2,CC#N,384.0
O=C1O[B-]2(OC1=O)OC(c1ccccc1)=CC(c1ccccc1)=[O+]2,ClC(Cl)(Cl)Cl,384.0
O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1cccc2cc3ccccc3cc12,ClC(Cl)Cl,384.0
O=C1c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc21,C1CCOC1,337.0
O=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N1c1ccc(Cl)cc1)c64)C(=O)N(c1ccc(Cl)cc1)C5=O,CN(C)C=O,525.0
O=C1c2cccc3c(-n4c5ccccc5c5ccccc54)ccc(c23)C(=O)N1C1CCCCC1,C1CCOC1,407.0
O=C1c2cccc3c(-n4c5ccccc5c5ccccc54)ccc(c23)C(=O)N1C1CCCCC1,CCCCCC,399.0
O=C1c2cccc3c(-n4c5ccccc5c5ccccc54)ccc(c23)C(=O)N1C1CCCCC1,ClC(Cl)Cl,402.0
O=C1c2cccc3c(-n4c5ccccc5c5ccccc54)ccc(c23)C(=O)N1C1CCCCC1,ClCCl,410.0
O=C1c2ccccc2-c2cnccc21,CC#N,397.051302
O=C1c2ccccc2-c2cnccc21,CCCCCC,394.1618587
O=C1c2ccccc2C(=O)N1c1ccc(Cn2cncn2)cc1,C1CCOC1,293.0
O=C1c2ccccc2C(=O)N1c1ccc(Cn2cncn2)cc1,C1COCCO1,284.0
O=C1c2ccccc2C(=O)N1c1ccc(Cn2cncn2)cc1,CC#N,315.0
O=C1c2ccccc2C(=O)N1c1ccc(Cn2cncn2)cc1,CC(C)=O,304.0
O=C1c2ccccc2C(=O)N1c1ccc(Cn2cncn2)cc1,CC(C)O,306.0
O=C1c2ccccc2C(=O)N1c1ccc(Cn2cncn2)cc1,CCCCCC,278.0
O=C1c2ccccc2C(=O)N1c1ccc(Cn2cncn2)cc1,CCCCO,302.0
O=C1c2ccccc2C(=O)N1c1ccc(Cn2cncn2)cc1,CCO,308.0
O=C1c2ccccc2C(=O)N1c1ccc(Cn2cncn2)cc1,CCOC(C)=O,290.0
O=C1c2ccccc2C(=O)N1c1ccc(Cn2cncn2)cc1,CCOCC,289.0
O=C1c2ccccc2C(=O)N1c1ccc(Cn2cncn2)cc1,CN(C)C=O,314.0
O=C1c2ccccc2C(=O)N1c1ccc(Cn2cncn2)cc1,CO,312.0
O=C1c2ccccc2C(=O)N1c1ccc(Cn2cncn2)cc1,CS(C)=O,320.0
O=C1c2ccccc2C(=O)N1c1ccc(Cn2cncn2)cc1,Cc1ccccc1,283.0
O=C1c2ccccc2C(=O)N1c1ccc(Cn2cncn2)cc1,ClCCl,294.0
O=Cc1ccc(-c2ccc(N3CCCCC3)c3ccccc23)c2ccccc12,C1CCOC1,330.0
O=Cc1ccc(-c2ccc(N3CCCCC3)c3ccccc23)c2ccccc12,CCCCCC,330.0
O=Cc1ccc(-c2ccc(N3CCCCC3)c3ccccc23)c2ccccc12,CCOC(C)=O,329.0
O=Cc1ccc(-c2ccc(N3CCCCC3)c3ccccc23)c2ccccc12,CCOCC,330.0
O=Cc1ccc(-c2ccc(N3CCCCC3)c3ccccc23)c2ccccc12,Cc1ccccc1,332.0
O=Cc1ccc(-c2ccc(N3CCCCC3)c3ccccc23)c2ccccc12,ClCCl,331.0
O=Cc1ccc(-c2cccc(-c3nc4ccccc4s3)c2O)o1,CCO,363.0
O=Cc1ccc(-c2cccc(-c3nc4ccccc4s3)c2O)o1,O,360.0
O=Cc1ccc2ccc3cccc4ccc1c2c34,C1CCOC1,390.5
O=Cc1ccc2ccc3cccc4ccc1c2c34,CC#N,389.5
O=Cc1ccc2ccc3cccc4ccc1c2c34,CC(C)=O,390.0
O=Cc1ccc2ccc3cccc4ccc1c2c34,CCCCCC,389.0
O=Cc1ccc2ccc3cccc4ccc1c2c34,CCO,389.5
O=Cc1ccc2ccc3cccc4ccc1c2c34,CN(C)C=O,390.0
O=Cc1ccc2ccc3cccc4ccc1c2c34,CO,389.0
O=Cc1ccc2ccc3cccc4ccc1c2c34,CS(C)=O,393.0
O=Cc1ccc2ccc3cccc4ccc1c2c34,Cc1ccccc1,391.5
O=Cc1ccc2ccc3cccc4ccc1c2c34,ClC(Cl)Cl,394.0
O=Cc1ccc2ccc3cccc4ccc1c2c34,ClCCl,392.0
O=Cc1ccc2ccc3cccc4ccc1c2c34,OCC(F)(F)F,396.0
O=P(c1ccccc1)(c1ccccc1)c1cccc(-n2c(-c3ccccc3P(=O)(c3ccccc3)c3ccccc3)nc3ccccc32)c1,ClCCl,300.0
O=P1(c2ccccc2)C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)=Cc2cc3ccccc3cc21,C1CCOC1,407.0
O=P1(c2ccccc2)C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)=Cc2cc3ccccc3cc21,CC#N,404.0
O=P1(c2ccccc2)C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)=Cc2cc3ccccc3cc21,CN(C)C=O,407.0
O=P1(c2ccccc2)C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)=Cc2cc3ccccc3cc21,Cc1ccccc1,412.0
O=P1(c2ccccc2)C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)=Cc2cc3ccccc3cc21,ClC(Cl)Cl,417.0
O=P1(c2ccccc2)C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)=Cc2cc3ccccc3cc21,ClCCl,414.0
O=P1(c2ccccc2)C2=C(c3ccccc31)S(=O)(=O)c1ccccc12,C1CCCCC1,380.0
O=P1(c2ccccc2)C2=C(c3ccccc31)S(=O)(=O)c1ccccc12,CC#N,383.0
O=P1(c2ccccc2)C2=C(c3ccccc31)S(=O)(=O)c1ccccc12,CCO,386.0
O=P1(c2ccccc2)C2=C(c3ccccc31)S(=O)(=O)c1ccccc12,ClCCl,386.0
O=P1(c2ccccc2)c2ccccc2-c2sc3ccccc3c21,C1CCCCC1,327.0
O=P1(c2ccccc2)c2ccccc2-c2sc3ccccc3c21,CC#N,327.0
O=P1(c2ccccc2)c2ccccc2-c2sc3ccccc3c21,CCO,329.0
O=P1(c2ccccc2)c2ccccc2-c2sc3ccccc3c21,ClCCl,329.0
O=S(=O)(/N=c1\oc2cccc3c4c(-c5ccccc5)oc5cccc(c(c1-c1ccccc1)c23)c54)C(F)(F)F,CCCCCC,458.0
O=S(=O)(/N=c1\oc2cccc3c4c(-c5ccccc5)oc5cccc(c(c1-c1ccccc1)c23)c54)C(F)(F)F,CO,456.0
O=S(=O)(/N=c1\oc2cccc3c4c(-c5ccccc5)oc5cccc(c(c1-c1ccccc1)c23)c54)C(F)(F)F,CS(C)=O,463.0
O=S(=O)(/N=c1\oc2cccc3c4c(-c5ccccc5)oc5cccc(c(c1-c1ccccc1)c23)c54)C(F)(F)F,ClC(Cl)Cl,460.0
O=S(=O)(/N=c1\oc2cccc3c4c(-c5ccccc5)oc5cccc(c(c1-c1ccccc1)c23)c54)C(F)(F)F,ClCCl,463.0
O=S(=O)([O-])c1ccccc1-c1c2ccc(=[N+]3CC4CCC(CC4)C3)cc-2oc2cc(N3CC4CCC(CC4)C3)ccc12,CO,548.0
O=S(=O)(c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1,Cc1ccccc1,332.0
O=S(=O)(c1ccc(N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)cc1)c1ccc(N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)cc1,Cc1ccccc1,328.0
O=S(=O)(c1cccc(N2c3ccccc3Sc3ccccc32)c1)c1cccc(N2c3ccccc3Sc3ccccc32)c1,C1CCOC1,305.0
O=S(=O)(c1cccc(N2c3ccccc3Sc3ccccc32)c1)c1cccc(N2c3ccccc3Sc3ccccc32)c1,Cc1ccccc1,304.0
O=S(=O)(c1cccc(N2c3ccccc3Sc3ccccc32)c1)c1cccc(N2c3ccccc3Sc3ccccc32)c1,ClC(Cl)Cl,296.0
O=S1(=O)C(c2cccs2)=C(c2cccs2)c2ccccc21,C1CCOC1,372.0
O=S1(=O)c2ccccc2Oc2cc(N3c4ccccc4C4(c5ccccc53)c3ccccc3N(c3ccc5c(c3)Oc3ccccc3S5(=O)=O)c3ccccc34)ccc21,Cc1ccccc1,359.8885794
O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=CC=CC=CC=c1c2cccc3cccc(c32)n1Cc1ccccc1,Cc1ccccc1,773.0
O=[N+]([O-])c1ccc(-c2ccc(-c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)s2)cc1,C1CCOC1,423.0
O=[N+]([O-])c1ccc(-c2ccc(-c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)s2)cc1,CN(C)C=O,431.0
O=[N+]([O-])c1ccc(-c2ccc(-c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)s2)cc1,CS(C)=O,436.0
O=[N+]([O-])c1ccc(-c2ccc(-c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)s2)cc1,Cc1ccccc1,420.0
O=[N+]([O-])c1ccc(-c2ccc(-c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)s2)cc1,ClC(Cl)Cl,424.0
O=[N+]([O-])c1ccc(-c2ccc(-c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)s2)cc1,ClCCl,425.0
O=[N+]([O-])c1ccc(-c2ccc(/C=C/N(c3ccccc3)c3ccccc3)cc2)cc1,Cc1ccccc1,413.0
O=[N+]([O-])c1ccc(-c2nc(/C=C/c3ccc(Cl)cc3)c(/C=C/c3ccc(Cl)cc3)[nH]2)cc1,ClCCl,425.0
O=[N+]([O-])c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,C1CCOC1,350.0
O=[N+]([O-])c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,CC#N,345.0
O=[N+]([O-])c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,CCCCCC,339.0
O=[N+]([O-])c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,CCOC(C)=O,339.0
O=[N+]([O-])c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,CO,334.0
O=[N+]([O-])c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,CS(C)=O,352.5
O=[N+]([O-])c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,Cc1ccccc1,351.0
O=[N+]([O-])c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,ClCCl,353.0
O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccco2)s1,C1CCOC1,472.0
O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccco2)s1,CC#N,483.0
O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccco2)s1,CCCCCC,446.0
O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccco2)s1,CS(C)=O,481.0
O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccco2)s1,Cc1ccccc1,465.0
O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccco2)s1,ClCCl,472.0
O=[N+]([O-])c1ccc(C#Cc2ccc(-c3ccc(-c4ccc(C#Cc5ccc([N+](=O)[O-])cc5)s4)s3)s2)cc1,C1CCOC1,436.0
O=[N+]([O-])c1ccc(C#Cc2ccc(-c3ccc(-c4ccc(C#Cc5ccc([N+](=O)[O-])cc5)s4)s3)s2)cc1,Cc1ccccc1,436.0
O=[N+]([O-])c1ccc(C#Cc2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1,ClCCl,371.0
O=[N+]([O-])c1ccc(C2=C3C=CC(N4CCOCC4)=[N+]3[B-](F)(F)n3cccc32)cc1,ClCCl,496.0
O=[N+]([O-])c1ccc(C=Cc2ccc(N(c3ccccc3)c3ccc(-c4nc5ccccc5nc4-c4ccc(N(c5ccccc5)c5ccc(C=Cc6ccc([N+](=O)[O-])cc6)cc5)cc4)cc3)cc2)cc1,CC#N,428.0
O=[N+]([O-])c1ccc(C=c2c(O)c3ccccc3c3c2=Nc2ccccc2N3)cc1,C1CCOC1,558.0
O=[N+]([O-])c1ccc(NCc2ccccc2)c2nonc12,CCO,459.0
O=[N+]([O-])c1ccc([C@H]2CO2)cc1,CCO,740.0
O=[N+]([O-])c1ccc([N+]2=CC3=C(O[B-]2(F)F)c2ccccc2SC3)cc1,ClCCl,440.0
O=[N+]([O-])c1ccc2c(ccc3[n+]2[B-](F)(F)n2c-3cc3c4ccccc4c4ccccc4c32)c1,ClCCl,530.0
O=[N+]([O-])c1ccc2nc(N=Cc3cc(Cl)cc(Cl)c3O)sc2c1,CO,249.0
O=[N+]([O-])c1cccc(/C=C/N(c2ccccc2)c2ccccc2)c1,Cc1ccccc1,341.0
O=[N+]([O-])c1cccc2c1ccc1[n+]2[B-](F)(F)n2c-1cc1c3ccccc3c3ccccc3c12,ClCCl,518.0
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1-c1ccco1,CCOC(C)=O,316.0
O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12,CC#N,360.0
O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12,CCO,340.0
O=c1c(-c2cccc(Br)c2)coc2cc(O)ccc12,O,337.0
O=c1c(N(c2ccccc2)c2ccccc2)c([O-])c1=[N+](c1ccccc1)c1ccccc1,CN(C)C=O,411.0
O=c1c2cc(C#Cc3ccccc3)ccc2nc2ccc(C#Cc3ccccc3)cn12,ClCCl,381.0
O=c1c2cc(Cl)ccc2nc2n1[B-](F)(F)[n+]1ccccc1-2,CC#N,345.0
O=c1c2cc(Cl)ccc2nc2n1[B-](F)(F)[n+]1ccccc1-2,ClCCl,345.0
O=c1c2cc(F)c(O)cc2n(-c2ccccc2)c2cc(O)c(F)cc12,CCO,377.0
O=c1c2cccc3cccc(c32)c2nc3c(F)c(F)c(F)c(F)c3n12,ClCCl,382.0
O=c1c2ccccc2nc2n1[B-](F)(F)[n+]1ccccc1-2,CC#N,334.0
O=c1c2ccccc2nc2n1[B-](F)(F)[n+]1ccccc1-2,ClCCl,353.0
O=c1cc(-c2ccccc2)oc(-c2ccc(-c3nc4ccccn4c3NC3CCCCC3)cc2)c1,ClCCl,359.0
O=c1cc(-c2ccccc2)oc(-c2nc3ccccn3c2NC2CCCCC2)c1,ClCCl,353.0
O=c1cc2c(Br)c(O)c3cccc4ccc(o1)c2c43,CC1CCCO1,477.0
O=c1cc[nH]c2ccccc12,CS(C)=O,290.0
O=c1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)c2c(=O)nc(-c3ccccc3)c1=2,CCO,547.0
O=c1oc2ccc(Br)cc2cc1-c1cc2cc(Br)ccc2o1,CC#N,370.0
O=c1oc2ccc(Br)cc2cc1-c1cc2cc(Br)ccc2o1,CCOC(C)=O,371.0
O=c1oc2ccc(Br)cc2cc1-c1cc2cc(Br)ccc2o1,CS(C)=O,374.0
O=c1oc2ccc(Br)cc2cc1-c1cc2cc(Br)ccc2o1,Cc1ccccc1,377.0
O=c1oc2ccc(Br)cc2cc1-c1cc2cc(Br)ccc2o1,O,331.0
O=c1oc2ccccc2c2c1c(=O)oc1c3ccccc3cc(O)c12,CS(C)=O,480.0
O=c1oc2ccccc2c2c1c(=O)oc1c3ccccc3cc(O)c12,ClCCl,447.0
O=c1oc2ccccc2c2c1c(=O)oc1cc(O)c3ccccc3c12,CS(C)=O,441.0
O=c1oc2ccccc2c2c1c(=O)oc1cc(O)c3ccccc3c12,ClCCl,442.0
O=c1oc2ccccc2cc1-c1ccc(-c2cc3ccccc3oc2=O)cc1,CC#N,342.0
O=c1oc2ccccc2cc1-c1ccc(-c2cc3ccccc3oc2=O)cc1,CCO,346.0
O=c1oc2ccccc2cc1-c1ccc(-c2cc3ccccc3oc2=O)cc1,CCOC(C)=O,342.0
O=c1oc2ccccc2cc1-c1ccc(-c2cc3ccccc3oc2=O)cc1,CS(C)=O,346.0
O=c1oc2ccccc2cc1-c1ccc(-c2cc3ccccc3oc2=O)cc1,Cc1ccccc1,346.0
O=c1oc2ccccc2cc1-c1ccc(-c2cc3ccccc3oc2=O)cc1,ClC(Cl)Cl,346.0
OC1(c2ccc(-c3cccs3)s2)CCC1,C1CCOC1,311.0
OC1(c2ccc(-c3cccs3)s2)CCC1,CC#N,309.0
OC1(c2ccc(-c3cccs3)s2)CCC1,CCO,310.0
OC1(c2ccc(-c3cccs3)s2)CCC1,OCCOCCO,314.0
OC1(c2ccc(-c3cccs3)s2)CCC1,c1ccncc1,316.0
OC1(c2ccc(-c3cccs3)s2)CCCCC1,C1CCOC1,312.0
OC1(c2ccc(-c3cccs3)s2)CCCCC1,CC#N,309.0
OC1(c2ccc(-c3cccs3)s2)CCCCC1,CCCCCC,308.0
OC1(c2ccc(-c3cccs3)s2)CCCCC1,CCO,309.0
OC1(c2ccc(-c3cccs3)s2)CCCCC1,OCCOCCO,317.0
OC1(c2ccc(-c3cccs3)s2)CCCCC1,c1ccncc1,315.0
OC1CCCCC1,CC#N,0.0
OCCSc1cccc2[n+]1[B-](F)(F)n1c(c3cccc4cccc1c43)=N2,C1CCOC1,485.0
OCCSc1cccc2[n+]1[B-](F)(F)n1c(c3cccc4cccc1c43)=N2,CC#N,480.0
OCCSc1cccc2[n+]1[B-](F)(F)n1c(c3cccc4cccc1c43)=N2,CCCCCC,484.0
OCCSc1cccc2[n+]1[B-](F)(F)n1c(c3cccc4cccc1c43)=N2,Cc1ccccc1,487.0
OCc1cc(/N=N/c2ccc(C#Cc3ccc4ccc5cccc6ccc3c4c56)cc2F)ccc1O,CS(C)=O,408.0
OCc1ccc2c(c1)c1cccc3cnc2n31,CO,423.0
OCc1ccc2c3cccc4cccc(c5cccc1c52)c43,CCO,439.0
Oc1ccc(-c2ccco2)cc1-c1nc2ccccc2s1,CCO,365.0
Oc1ccc(-c2ccco2)cc1-c1nc2ccccc2s1,ClCCl,365.0
Oc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(O)cc3O)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(O)cc2O)=C2/C=CC(=N2)/C=4c2ccc(O)cc2O)c(O)c1,CCO,426.0
Oc1ccc(N=Nc2nc(-c3ccc(Cl)cc3)cs2)c2cccnc12,CS(C)=O,569.0
Oc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1,CO,300.0
Oc1ccccc1,C1CCCCC1,265.9574468
Oc1ccccc1-c1nc(-c2ccccc2)c2ccccn12,C1CCCCC1,340.0
Oc1ccccc1-c1nc(-c2ccccc2)c2ccccn12,CC#N,343.0
Oc1ccccc1-c1nc(-c2ccccc2)c2ccccn12,CO,299.0
Oc1ccccc1-c1nc(-c2ccccc2)c2ccccn12,ClCCl,345.0
Oc1ccccc1-c1nc(-c2ccccc2)c2ccccn12,O,299.0
Oc1ccccc1-c1sc(-c2cccc(Cl)c2)nc1O,C1COCCO1,368.0
Oc1ccccc1/C=N/C1CCCCC1/N=C/c1ccccc1O,CC#N,400.0
P[V]P,CS(C)=O,437.0
S=C=S,ClCCl,419.0
[BH3-][P+]1(c2ccccc2)c2ccccc2-c2sc3ccccc3c21,C1CCCCC1,324.0
[BH3-][P+]1(c2ccccc2)c2ccccc2-c2sc3ccccc3c21,CC#N,323.0
[BH3-][P+]1(c2ccccc2)c2ccccc2-c2sc3ccccc3c21,CCO,323.0
[BH3-][P+]1(c2ccccc2)c2ccccc2-c2sc3ccccc3c21,ClCCl,325.0
[C-]#[N+]C(=Cc1ccc(N(c2ccc(-c3cccc(N(C)C)c3)cc2)c2ccc(-c3nc4c(-c5cccc(OC)c5)ccc(-c5cccc(OC)c5)c4[nH]3)cc2)cc1)C(=O)O,Cc1ccccc1,360.0
[Gd+3],ClC(Cl)Cl,681.0
[NH2+]=C1c2cccn2[B-](F)(F)n2cccc21,CCOC(C)=O,406.0
[NH2+]=C1c2cccn2[B-](F)(F)n2cccc21,CO,399.0
[NH2+]=c1ccc2c(-c3ccc(CN4CCC5(CC4)OCCO5)cc3)c3ccc(N4CCCCC4)cc3oc-2c1,O,535.0
[NH2+]=c1ccc2c(-c3cccc(CN4CCOCC4)c3)c3c(cc4n3CCCCCC=C4)oc-2c1,O,535.0
[NH3+]C(Cc1ccc(O)c(O)c1)C(=O)[O-],O,278.0
[NH3+]c1ccc2c(c1)Cc1ccccc1-2,O,299.0
[O-][n+]1c(/C=C/c2cccs2)nc(N2CCOCC2)c2c1CCCC2,ClCCl,400.0
[Ti],Cc1ccccc1,702.0
c1cc(-n2c3ccccc3c3ccccc32)c(-c2nc3ccccn3n2)c(-n2c3ccccc3c3ccccc32)c1,Cc1ccccc1,338.0
c1cc2[nH]c3cc4c(cc3c2s1)OCO4,CS(C)=O,260.0
c1cc2cc3ccc(N4CCC4)cc3nc2cc1N1CCC1,O,492.0
c1cc2cc3occc3cc2o1,ClCCl,371.0
c1cc2ccc1-c1ccc(cc1)-c1ccc([se]1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc([se]1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc([se]1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc-2[se]1,C1CCOC1,370.0
c1cc2ccc1-c1ccc(cc1)-c1sc(c3c1OCCO3)-c1ccc(cc1)-c1ccc(cc1)-c1sc(c3c1OCCO3)-c1ccc(cc1)-c1ccc(cc1)-c1sc-2c2c1OCCO2,C1CCOC1,371.0
c1cc2ccc1CCCc1cc3c(cc1CCCc1ccc(c4nsnc14)CCC3)CCC2,C1CCCCC1,402.0
c1cc2ccc1CCCc1cc3c(cc1CCCc1ccc(c4nsnc14)CCC3)CCC2,CC#N,403.0
c1cc2ccc1CCCc1cc3c(cc1CCCc1ccc(c4nsnc14)CCC3)CCC2,ClC(Cl)Cl,402.0
c1cc2ccc1CCCc1ccc(c3nsnc13)CCC2,C1CCCCC1,378.0
c1cc2ccc1CCCc1ccc(c3nsnc13)CCC2,CC#N,384.0
c1cc2ccc1CCCc1ccc(c3nsnc13)CCC2,ClC(Cl)Cl,384.0
c1cc2ccc3[se]c4ccc5cccc6c(c1)c2c3c4c56,ClC(Cl)Cl,416.5
c1cc2ccc3ccc4cc3c2cc1CCCCCCc1ccc2ccc3ccc-4cc3c2c1,Cc1ccccc1,336.0
c1cc2ccc3ccc4cc3c2cc1c1ccc2ccc3ccc(cc3c2c1)c1ccc2c(c1)c1cc4ccc1[C@]13OCCO[C@]21OCCO3,Cc1ccccc1,366.0
c1cc2ccc3ccc4cc3c2cc1c1ccc2ccc3ccc(cc3c2c1)c1ccc2ccc3ccc4cc3c2c1,Cc1ccccc1,375.0
c1cc2ccc3cccc4c(-c5ccncc5)cc(c1)c2c34,Cc1ccccc1,340.0
c1cc2cccc3c4cccc5cccc(c(c1)c23)c54,C1CCCCC1,435.0
c1cc2cccc3c4cccc5cccc(c(c1)c23)c54,ClC(Cl)Cl,438.5
c1cc2cccc3c4cccc5cccc(c(c1)c23)c54,ClCCl,438.0
c1ccc(-c2c3c(cc4c2-c2ccccc2C4)-c2ccccc2C3)cc1,C1CCCCC1,331.0
c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1,C1CCCCC1,296.0
c1ccc(-c2cc(-c3ccc(N4c5ccccc5C5(c6ccccc64)c4ccccc4N(c4ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc4)c4ccccc45)cc3)nc(-c3ccccc3)n2)cc1,Cc1ccccc1,382.0334262
c1ccc(-c2cc3c(ccc4c5cc(-c6ccccc6)oc5ccc34)o2)cc1,ClCCl,379.0
c1ccc(-c2cc3cc4cc5cc6oc(-c7ccccc7)cc6cc5cc4cc3o2)cc1,ClCCl,483.0
c1ccc(-c2cc3ccccc3p2-c2ccccc2)cc1,C1CCOC1,321.0
c1ccc(-c2ccc(-c3ccccc3)s2)cc1,C1CCOC1,341.0
c1ccc(-c2ccc3c(c2)c(-c2ccccc2)c(-c2ccccc2)[n+]2c4ccccc4c(-c4ccccc4)c(-c4ccccc4)c32)cc1,ClCCl,456.0
c1ccc(-c2cnc3nn4ccccc4c3c2)cc1,C1CCOC1,383.0
c1ccc(-c2cnn(-c3ccccc3)n2)cc1,C1CCOC1,295.0
c1ccc(-c2cnn(-c3ccccc3)n2)cc1,CO,294.0
c1ccc(-c2nc(-c3c4ccccc4cc4ccccc34)n3ccccc23)cc1,C1CCCCC1,375.0
c1ccc(-c2nc(-c3c4ccccc4cc4ccccc34)n3ccccc23)cc1,CC#N,375.0
c1ccc(-c2nc(-c3c4ccccc4cc4ccccc34)n3ccccc23)cc1,CO,366.0
c1ccc(-c2nc(-c3c4ccccc4cc4ccccc34)n3ccccc23)cc1,Cl,577.0
c1ccc(-c2nc(-c3c4ccccc4cc4ccccc34)n3ccccc23)cc1,ClCCl,382.0
c1ccc(-c2nc(-c3c4ccccc4cc4ccccc34)n3ccccc23)cc1,O,375.0
c1ccc(-c2nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cn3)oc2-c2ccccc2)cc1,C1CCOC1,351.0
c1ccc(-c2nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cn3)oc2-c2ccccc2)cc1,C1COCCO1,354.0
c1ccc(-c2nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cn3)oc2-c2ccccc2)cc1,CC#N,353.0
c1ccc(-c2nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cn3)oc2-c2ccccc2)cc1,CC(C)=O,352.0
c1ccc(-c2nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cn3)oc2-c2ccccc2)cc1,CC(C)OC(C)C,351.0
c1ccc(-c2nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cn3)oc2-c2ccccc2)cc1,CCCCCC,353.0
c1ccc(-c2nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cn3)oc2-c2ccccc2)cc1,CCCCOCCCC,353.0
c1ccc(-c2nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cn3)oc2-c2ccccc2)cc1,CCN(CC)CC,348.0
c1ccc(-c2nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cn3)oc2-c2ccccc2)cc1,CCOC(C)=O,351.0
c1ccc(-c2nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cn3)oc2-c2ccccc2)cc1,CCOCC,348.0
c1ccc(-c2nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cn3)oc2-c2ccccc2)cc1,Cc1ccccc1,358.0
c1ccc(-c2nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cn3)oc2-c2ccccc2)cc1,c1ccccc1,359.0
c1ccc(-c2nc(-c3ccc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)cc3)cc(-c3ccc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)cc3)n2)cc1,Cc1ccccc1,373.0
c1ccc(-c2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nn2-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)nc1,ClCCl,333.0
c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ncccc54)cc(-n4c5ccccc5c5ncccc54)c3)n2)cc1,Cc1ccccc1,345.6953642
c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(N5c6ccccc6[Si](c6ccccc6)(c6ccccc6)c6ccccc65)cc4)cc3)n2)cc1,Cc1ccccc1,308.0
c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)cc3)n2)cc1,Cc1ccccc1,370.0
c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7sc8ccccc8c7c6)ccc54)cc3)n2)cc1,Cc1ccccc1,370.0
c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)cc3)n2)cc1,Cc1ccccc1,366.0
c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)n2)cc1,Cc1ccccc1,360.0
c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)cc3)n2)cc1,Cc1ccccc1,399.0467938
c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5C5(c6ccccc64)c4ccccc4C4(c6ccccc6-c6ccccc64)c4ccccc45)cc3)n2)cc1,Cc1ccccc1,392.0903955
c1ccc(-c2nc3c(-c4ccc5ccc6cccc7ccc4c5c67)ccc(-c4ccc5ccc6cccc7ccc4c5c67)c3nc2-c2ccccc2)cc1,CS(C)=O,281.0
c1ccc(-c2nc3ncccn3n2)cc1,ClCCl,304.0
c1ccc(-c2nnc3ccccn23)nc1,ClCCl,309.0
c1ccc(-n2c(-c3ccc([Si](c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)(c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc3)nc3ccccc32)cc1,ClCCl,306.0
c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc5n4)ccc32)cc1,ClCCl,344.0
c1ccc(C2=C(c3ccccc3)c3cccc4c3c(cc3nc5c(-c6ccccc6)ccc(-c6ccccc6)c5nc34)O2)cc1,ClCCl,503.0
c1ccc(C2=c3cc4cc5c6c(c4cc3C3(c4ccccc4Oc4ccccc43)c3cc4c7c8c(cc4cc32)CCCN8CCC7)CCC[N+]=6CCC5)cc1,ClCCl,880.0
c1ccc(C2c3ccccc3-c3cc4c(cc32)-c2ccccc2C4c2ccccc2)cc1,ClCCl,328.0
c1ccc(COc2ccc3c(c2)c2cccc4cnc3n42)cc1,CO,438.0
c1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccccc4)cc3)cc2)cc1,CC#N,260.0
c1ccc(C[n+]2ccc(-c3nc4sc(-c5cc[n+](Cc6ccccc6)cc5)nc4s3)cc2)cc1,O,395.0
c1ccc(Cc2nn(-c3ccccc3)nc2-c2ccccc2)cc1,CO,290.0
c1ccc(Cn2c3sccc3c3c4nsnc4c4c5ccsc5n(Cc5ccccc5)c4c32)cc1,Cc1ccccc1,424.0
c1ccc(Cn2c3sccc3c3c4nsnc4c4c5ccsc5n(Cc5ccccc5)c4c32)cc1,ClCCl,424.0
c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2cc5c(cc2B4c2ccccc2N3c2ccccc2)B2c3ccccc3N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc(c32)N5c2ccccc2)cc1,Cc1ccccc1,457.0
c1ccc(N(c2ccccc2)c2ccc(-c3cccc4nc5ccccc5cc34)cc2)cc1,C1CCOC1,391.0
c1ccc(N(c2ccccc2)c2ccc(-c3cccc4nc5ccccc5cc34)cc2)cc1,CC#N,390.0
c1ccc(N(c2ccccc2)c2ccc(-c3cccc4nc5ccccc5cc34)cc2)cc1,CC(C)OC(C)C,389.0
c1ccc(N(c2ccccc2)c2ccc(-c3cccc4nc5ccccc5cc34)cc2)cc1,CCCCCC,386.0
c1ccc(N(c2ccccc2)c2ccc(-c3cccc4nc5ccccc5cc34)cc2)cc1,CCCCOCCCC,390.0
c1ccc(N(c2ccccc2)c2ccc(-c3cccc4nc5ccccc5cc34)cc2)cc1,CCN(CC)CC,389.0
c1ccc(N(c2ccccc2)c2ccc(-c3cccc4nc5ccccc5cc34)cc2)cc1,CCOC(C)=O,390.0
c1ccc(N(c2ccccc2)c2ccc(-c3cccc4nc5ccccc5cc34)cc2)cc1,CCOCC,386.0
c1ccc(N(c2ccccc2)c2ccc(-c3cccc4nc5ccccc5cc34)cc2)cc1,CN(C)C=O,390.0
c1ccc(N(c2ccccc2)c2ccc(-c3cccc4nc5ccccc5cc34)cc2)cc1,ClCCl,396.0
c1ccc(N(c2ccccc2)c2ccc(-c3ccncc3)cc2)cc1,ClCCl,347.0
c1ccc(N(c2ccccc2)c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)cc1,CC#N,339.0
c1ccc(N(c2ccccc2)c2ccc3c(c2)[nH]c2cc(-c4ccc(-c5ccncc5)s4)ccc23)cc1,C1COCCO1,394.0
c1ccc(Oc2cc3c4c([o+]c(-c5ccccc5)c(-c5ccccc5)c4c2)N2C(c4ccccc4)=C(c4ccccc4)c4ccccc4C2=C3c2ccccc2)cc1,ClCCl,476.0
c1ccc([B-]2(c3ccccc3)Oc3ccc4ccccc4c3-c3c4ccccc4nc[n+]32)cc1,Cc1ccccc1,451.0
c1ccc2c(c1)-c1c(cc3ccc4cccc5ccc1c3c45)C21c2cc(-c3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21,ClC(Cl)Cl,371.0
c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccccc1-3,C1CCCCC1,333.0
c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccccc1-3,ClCCl,333.0
c1ccc2c(c1)OP1(=NP(Oc3ccc4ccc5cccc6ccc3c4c56)(Oc3ccc4ccc5cccc6ccc3c4c56)=NP(Oc3ccc4ccc5cccc6ccc3c4c56)(Oc3ccc4ccc5cccc6ccc3c4c56)=N1)Oc1ccccc1-2,ClCCl,343.0
c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)c1ccccc1n1ccnc21,Cc1ccccc1,376.0
c1ccc2c(c1)Sc1ccccc1N2c1ccc2c(ccc3nc4ccc5cc(N6c7ccccc7Sc7ccccc76)ccc5c4nc32)c1,C1CCCCC1,413.0
c1ccc2c(c1)Sc1ccccc1N2c1ccc2c(ccc3nc4ccc5cc(N6c7ccccc7Sc7ccccc76)ccc5c4nc32)c1,C1CCOC1,416.0
c1ccc2c(c1)Sc1ccccc1N2c1ccc2c(ccc3nc4ccc5cc(N6c7ccccc7Sc7ccccc76)ccc5c4nc32)c1,CN(C)C=O,418.0
c1ccc2c(c1)Sc1ccccc1N2c1ccc2c(ccc3nc4ccc5cc(N6c7ccccc7Sc7ccccc76)ccc5c4nc32)c1,Cc1ccccc1,416.0
c1ccc2c(c1)Sc1ccccc1N2c1ccc2c(ccc3nc4ccc5cc(N6c7ccccc7Sc7ccccc76)ccc5c4nc32)c1,ClCCl,417.0
c1ccc2c(c1)[nH]c1ncccc12,CC#N,338.0
c1ccc2c(c1)[nH]c1ncccc12,CCCCCC,336.0
c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc3cc4cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)oc4cc3o2)cc1,ClCCl,357.0
c1ccc2c(c1)cc1c3cccc4c5ccccc5cc(c5cccc2c51)c43,ClCCl,433.0
c1ccc2c(c1)nc1c3sccc3c3ccccc3n21,CC#N,341.0
c1ccc2c(c1)sc1c3ccccc3c3ncncc3c21,ClCCl,375.0
c1ccc2c3c(ccc2c1)-c1cccc2cc4ccccc4c-3c12,CCCCCCC,446.0
c1ccc2cc3c(cc2c1)-c1cccc2c1c-3cc1ccccc12,CCCCCCC,400.0
c1ccc2cc3c(cc2c1)cc1ccc2c4ccccc4cc4ccc3c1c42,Cc1ccccc1,516.0
c1ccc2ccccc2c1,C1CCCCC1,288.73010784999997
c1ccc2ccccc2c1,CCOC(C)=O,413.0
c1ccc2sc(-c3sc(-c4cc5ccccc5s4)c4c3OCCO4)cc2c1,ClCCl,395.0
c1csc(CN[C@@H]2CCCC[C@H]2NCc2cccs2)c1,CO,350.0
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