chaitjo/QM9_ADiT · Datasets at Hugging Face

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133282 CN=C1NN=CC=C1F C[N]C1=C(F)CC=NN1 CN=c1c(F)ccn[nH]1 2.696324
133284 CN=C1NN=NC(F)=C1 C[N]C1NNNC(C1)F CN=C1N[N]N=C(C1)F 26.76072
133286 CN=C1NN=NC=C1F CN=c1c(F)cnn[nH]1 CN=C1N[N]N=C[C@@H]1F 3.132598
133311 NC1=C(F)C(=O)N=NO1 [O][C][C](C(=O)N)F.N#N O=c1nnoc(c1F)N 61.01427
133322 NC1=C(F)C=NNC1=N NC1=C([NH])NN=C[C@H]1F Fc1cn[nH]c(=N)c1N 3.354690
133329 NC1=C(F)N=NNC1=N NC1C([NH])NNNC1F N=C1N[N]N=C([C@@H]1N)F 3.368971
133333 NC1=C(F)NN=CC1=N NC1C([NH])CNNC1F NC1=C([NH])C=NN[C@@H]1F 3.335991
133337 NC1=C(F)ON=NC1=N N[C](C(=O)F)C(=N)[N][N] NC1=C(F)O[N]N=C1[NH] 30.88385
133338 NC1=C(F)ON=NC1=O [O][C][C](C(=O)F)N.N#N O=c1nnoc(c1N)F 39.95324
133346 NC1=CC(F)=NNC1=N FC1=NNC(=C(C1)N)[NH] Nc1cc(F)n[nH]c1=N 2.758490
133353 NC1=[NH+]C(=N)C(F)=N[N-]1 FC1=NN=C(N[C@@H]1[NH])N Nc1nnc(c(=N)[nH]1)F 27.32959
133368 NC1=NNC(=N)C(F)=N1 FC1=NC(=NN[C@@H]1[NH])N Nc1nc(F)c(=N)[nH]n1 29.46585
133370 NC1=NNC(=N)N=C1F [NH][C@@H]1NN=C(C(=N1)F)N Nc1n[nH]c(=N)nc1F 2.673909
133376 NC1=NNC(F)=NC1=N F[C@@H]1NN=C(C(=N1)[NH])N N=c1nc(F)[nH]nc1N 35.14428
133396 OC1=C(F)C(=N)N=NO1 [NH][C][C](C(=O)O)F.N#N OC1=C(F)C(=N[N]O1)[NH] 36.49971
133397 FC1=C(F)C(=N)N=NO1 [NH][C][C](C(=O)F)F.N#N FC1=C(F)O[N]N=C1[NH] 37.01627
133398 FC1=C(F)C(=N)NN=C1 [NH]C1=C(F)[C@H](C=NN1)F Fc1c(F)cn[nH]c1=N 2.881807
133403 OC1=C(F)C(=O)N=NO1 [O][C][C](C(=O)O)F.N#N O=c1nnoc(c1F)O 46.11996
133404 FC1=C(F)C(=O)N=NO1 [O][C][C](C(=O)F)F.N#N Fc1c(=O)nnoc1F 40.34385
133410 FC1=CC(=N)NN=C1F [NH]C1=C[C@H](C(=NN1)F)F Fc1cc(=N)[nH]nc1F 2.863567
133428 FC1=NNC(=N)C(F)=N1 [NH][C@@H]1NN=C(N=C1F)F Fc1nc(F)n[nH]c1=N 3.163051
133429 FC1=NNC(=N)NC1=N [NH][C@H]1N[C@@H]([NH])NN=C1F Fc1n[nH]c(=N)[nH]c1=N 2.388537
133491 NC(=N)C(=O)C(F)(F)F O=C(C(F)(F)F)C(=N)N O=C(C(F)(F)F)C(=[NH2])[NH] 9.920312
133812 C1C2C3C4=CCC13C24 [CH]1C[C@@]23[C@@H]4[C]1[C@@H]4[C@H]3C2 C1[CH][C]2[C@H]3[C]1C[C@@H]2[CH]3 35.59825
133813 C1C=C2C3C4OC13C24 O=C[CH]C1=C[C]C[CH]1 [CH]1[C][C@H]2[C@]3(C1)O[C@@H]3[CH]2 43.07880
133814 C1N2C3C4=CCC13C24 [CH]1[C][CH]N2[CH][C](C1)C2 C1[CH][C@]23[C@@]41CN([C@@H]24)[CH]3 32.72908
133816 N1C2C3OC4C3C1=NC24 N1[CH][C@@H]2[C@@H]3[C]1[N][CH][C@@H]3O2 O1[C@@H]2[C@@H]3[C@H]1[C@@H]1[C@H]2[N][C 28.70228
133819 C1CC23OC4C2C=C1C34 O=C1CC[C]2[C@@H]1[CH]C=C2 C1C[C@@]23[C@@H]4[C]1[CH][C@H]3[C@@H]4O2 29.46294
133820 N1C2C3OC4C=CC2C134 C1=CO[C@@H]2[C@H](C=C1)N[C]2 [CH]1[CH][C@H]2[C@]34[C@H]1O[C@@H]3[C@H] 40.60932
133821 C1C2C3CCC4OC2C134 O=C[C@@H]1C[C]2[C@@H]1CC[CH]2 C1C[C@H]2[C@@]34[C@@H]1O[C@@H]3[C@@H]2C4 44.38319
133822 CC12C3C1C1=CC2=CC31 C[C@]12[C]3[CH][C][C@@H]2[C@@H]1C=C3 C[C@@]12[C]3[CH][C@@H]4[C@H]2[C@H]1[C]4[ 26.82297
133823 CC12C3N1C1C=C2C=C31 C[C@]12N3[C@H]1[C@]14[C@]52[C@H]([C@H]31 C[C@]12[C]3[CH][C@@H]4N1[C@H]2[C]4[CH]3 27.83712
133824 OC12C3C1C1=CC2=CC31 O[C@]12[C@@H]3[C@H]1[C@]14[C@]52[C@H]([C O[C@@]12[C]3[CH][C@@H]4[C@H]2[C@H]1[C]4[ 27.02883
133825 CC12C3C1C1=CC2C3=C1 C[C@]12[C@H]3[C@@H]2[C@@]24[C@@H]1[C@H]1 C[C@@]12[C@H]3[CH][C]4[C@@H]1[C@@H]2[C]3 29.56992
133826 CC12C3N1C1=NC2C3=C1 C#C[C@@H]1N2[C@]1(C)[CH][N][C]2 C[C@@]12[C@@H]3[N][C]4N2[C@H]1[C]3[CH]4 29.73592
133827 OC12C3C1C1=CC2C3=C1 OC1=C[CH][C]2[C@@H]1[CH][C][CH]2 O[C@@]12[C@H]3[CH][C]4[C@@H]1[C@@H]2[C]3 36.79589
133828 CC12C3C1C1=CC2CC31 C[C@]12[C@@H]3C[C@@H]4[C@H]1[C@H]2[C@H]3 C[C@]12[C@H]3[CH][C]4[C@@H]2[C@@H]1[C@H] 31.66726
133829 CC12C3C1C1=CC2OC31 C[C@]12[C@@H]3O[C@@H]4[C@H]1[C@H]2[C@H]3 C[C@]12[C@@H]3O[C@@H]4[C@H]1[C@H]2[C]4[C 31.93216
133832 NC12C3C1C1=NC2CN31 N[C][C@@H]1[CH][C]2N1C[CH][N]2 N[C@]12[C@@H]3CN4[C@H]1[C@H]2[C]4[N]3 47.75355
133833 OC12C3C1C1=CC2CC31 O[C@]12[C@@H]3C[C@@H]4[C@H]1[C@H]2[C@H]3 O[C@]12[C@H]3[CH][C]4[C@@H]2[C@@H]1[C@H] 25.00627
133834 OC12C3C1C1=CC2OC31 O[C@]12[C@@H]3O[C@@H]4[C@H]1[C@H]2[C@H]3 O[C@]12[C@@H]3O[C@@H]4[C@H]1[C@H]2[C]4[C 19.69767
133836 CC12C3C1C1=CC3C2=C1 C[C@@]12[C@H]3[C@@H]1[C@]14[C@@]52[C@@H] C[C@]12[C]3[CH][C]4[C@H]1[C@H]2[C@H]3[CH 35.86829
133837 CC12C3C4N=C(C=C14)N23 C[C@@]1([CH][N]1)C1=C[N][C][CH]1 C[C@]12[C]3[CH][C]4N2[C@@H]1[C@@H]3[N]4 39.74670
133838 CC12C3N1C1C=C3C=C21 C[C@@]12N3[C@@H]1[C@]14[C@@]52[C@@H]3[C@ C[C@]12[C]3[CH][C]4[C@H]1N2[C@H]3[CH]4 23.23402
133839 OC12C3C1C1=CC3C2=C1 O[C@@]12[C@H]3[C@@H]1[C@]14[C@@]52[C@@H] O[C@]12[C]3[CH][C]4[C@H]1[C@H]2[C@H]3[CH 29.94140
133840 CC12C3C1C1=CC3CC21 C[C@@]12[C@@H]3[C][C@@H]4[C@H]2[C@H]1[C@ C[C@@]12[C@H]3C[C@H]4[C@@H]1[C@@H]2[C]3[ 32.06823
133842 CC12C3C4CC1C(=N4)N23 CC1=CC[C@H]2[C@@H]1N=[C][N]2 C[C@@]12[C@H]3C[C@H]4[C@@H]1N2[C]3[N]4 45.21286
133843 CC12C3N1C1CC2C3=C1 C[C@]12[N][C@@H]3C[C@H]1[C]1[C@H]2[C@H]3 C[C@]12[C@H]3C[C@H]4N2[C@@H]1[C]3[CH]4 29.19500
133844 OC12C3C1C1=CC3CC21 O[C@@]12[C@@H]3[C][C@@H]4[C@H]2[C@H]1[C@ O[C@@]12[C@H]3C[C@H]4[C@@H]1[C@@H]2[C]3[ 26.23905
133845 OC12C3C1C1=CC3OC21 O[C@@]12[C@H]3O[C@H]4[C@@H]1[C@@H]2[C][C O[C@@]12[C@H]3O[C@H]4[C@@H]1[C@@H]2[C]3[ 36.52107
133846 CC12C3C1C1CC3C2=C1 C[C@@]12[C@H]3[C][C@H]4[C@@H]1[C@@H]2[C@ C[C@]12[C]3[CH][C@@H]4[C@H]1[C@H]2[C@H]3 16.34324
133847 CC12C3C1C1OC3C2=C1 C[C@@]12[C@H]3[C][C@H]4[C@@H]1[C@@H]2[C@ C[C@]12[C]3[CH][C@@H]4[C@H]1[C@H]2[C@H]3 33.71965
133849 CC12C3C4CC(C=C14)N23 C[C@]12[C@@H]3[N][C@@H]4[C@H]1[C]2[C@H]3 C[C@]12[C]3[CH][C@H]4N2[C@@H]1[C@@H]3C4 28.40583
133851 OC12C3C1C1CC3C2=C1 O[C@@]12[C@H]3[C][C@H]4[C@@H]1[C@@H]2[C@ O[C@]12[C]3[CH][C@@H]4[C@H]1[C@H]2[C@H]3 16.10464
133852 OC12C3C1C1OC3C2=C1 O[C@@]12[C@H]3[C][C@H]4[C@@H]1[C@@H]2[C@ O[C@]12[C]3[CH][C@@H]4[C@H]1[C@H]2[C@H]3 39.44321
133854 CC12CC34CC=C(C13)C24 C[C@]12[CH][C]3[C@@H]2[C](C1)C[CH]3 C[C@]12C[C@]34[C@H]1[C]([C@H]23)[CH]C4 42.43835
133855 CC12OC34CC=C(C13)C24 O=C1C[CH][C]2[C@@H]1C(=C2)C C[C@]12O[C@]34[C@H]1[C]([C@H]23)[CH]C4 42.95069
133856 OC12CC34CC=C(C13)C24 O[C@]12[CH][C][CH]C[C]([CH]1)C2 O[C@]12C[C@]34[C@H]1[C]([C@H]23)[CH]C4 31.59481
133858 CC1N2C3C4=CCC13C24 C[C@H]1[C]2C[CH][C]3[C@@H]2N1[CH]3 C[C@@H]1N2[C@H]3[C@@]41[C@@H]2[C]3[CH]C4 36.26795
133860 OC1C2C3C4=CCC13C24 O[C@@H]1[C@H]2[C@]31C[CH][C]1[C@H]2[C@H] O[C@@H]1[C@H]2[C@]31C[CH][C][C@@H]3[CH]2 27.08847
133864 C1C2CC3OC4CC1C234 [CH]1C[C@@H]2C[C@H]3[C]2[C@@H](O1)C3 C1[C@@H]2C[C@H]3[C@@]42[C@@H]1C[C@H]4O3 44.10203
133865 C1C2CN3CC4OC1C234 [CH]1CN2C[C@H]3[C]2[C@@H](O1)C3 C1[C@H]2CN3[C@]42[C@H]1O[C@@H]4C3 34.23513
133866 C1C2OC3CC4OC1C234 [CH]1O[C@@H]2C[C@H]3[C]2[C@@H](C1)O3 C1[C@@H]2O[C@H]3[C@@]42[C@@H]1O[C@H]4C3 33.58735
==============================================================================================================================================================

133282 CN=C1NN=CC=C1F C[N]C1=C(F)CC=NN1 CN=c1c(F)ccn[nH]1 2.696324

133284 CN=C1NN=NC(F)=C1 C[N]C1NNNC(C1)F CN=C1N[N]N=C(C1)F 26.76072

133286 CN=C1NN=NC=C1F CN=c1c(F)cnn[nH]1 CN=C1N[N]N=C[C@@H]1F 3.132598

133311 NC1=C(F)C(=O)N=NO1 [O][C][C](C(=O)N)F.N#N O=c1nnoc(c1F)N 61.01427

133322 NC1=C(F)C=NNC1=N NC1=C([NH])NN=C[C@H]1F Fc1cn[nH]c(=N)c1N 3.354690

133329 NC1=C(F)N=NNC1=N NC1C([NH])NNNC1F N=C1N[N]N=C([C@@H]1N)F 3.368971

133333 NC1=C(F)NN=CC1=N NC1C([NH])CNNC1F NC1=C([NH])C=NN[C@@H]1F 3.335991

133337 NC1=C(F)ON=NC1=N N[C](C(=O)F)C(=N)[N][N] NC1=C(F)O[N]N=C1[NH] 30.88385

133338 NC1=C(F)ON=NC1=O [O][C][C](C(=O)F)N.N#N O=c1nnoc(c1N)F 39.95324

133346 NC1=CC(F)=NNC1=N FC1=NNC(=C(C1)N)[NH] Nc1cc(F)n[nH]c1=N 2.758490

133353 NC1=[NH+]C(=N)C(F)=N[N-]1 FC1=NN=C(N[C@@H]1[NH])N Nc1nnc(c(=N)[nH]1)F 27.32959

133368 NC1=NNC(=N)C(F)=N1 FC1=NC(=NN[C@@H]1[NH])N Nc1nc(F)c(=N)[nH]n1 29.46585

133370 NC1=NNC(=N)N=C1F [NH][C@@H]1NN=C(C(=N1)F)N Nc1n[nH]c(=N)nc1F 2.673909

133376 NC1=NNC(F)=NC1=N F[C@@H]1NN=C(C(=N1)[NH])N N=c1nc(F)[nH]nc1N 35.14428

133396 OC1=C(F)C(=N)N=NO1 [NH][C][C](C(=O)O)F.N#N OC1=C(F)C(=N[N]O1)[NH] 36.49971

133397 FC1=C(F)C(=N)N=NO1 [NH][C][C](C(=O)F)F.N#N FC1=C(F)O[N]N=C1[NH] 37.01627

133398 FC1=C(F)C(=N)NN=C1 [NH]C1=C(F)[C@H](C=NN1)F Fc1c(F)cn[nH]c1=N 2.881807

133403 OC1=C(F)C(=O)N=NO1 [O][C][C](C(=O)O)F.N#N O=c1nnoc(c1F)O 46.11996

133404 FC1=C(F)C(=O)N=NO1 [O][C][C](C(=O)F)F.N#N Fc1c(=O)nnoc1F 40.34385

133410 FC1=CC(=N)NN=C1F [NH]C1=C[C@H](C(=NN1)F)F Fc1cc(=N)[nH]nc1F 2.863567

133428 FC1=NNC(=N)C(F)=N1 [NH][C@@H]1NN=C(N=C1F)F Fc1nc(F)n[nH]c1=N 3.163051

133429 FC1=NNC(=N)NC1=N [NH][C@H]1N[C@@H]([NH])NN=C1F Fc1n[nH]c(=N)[nH]c1=N 2.388537

133491 NC(=N)C(=O)C(F)(F)F O=C(C(F)(F)F)C(=N)N O=C(C(F)(F)F)C(=[NH2])[NH] 9.920312

133812 C1C2C3C4=CCC13C24 [CH]1C[C@@]23[C@@H]4[C]1[C@@H]4[C@H]3C2 C1[CH][C]2[C@H]3[C]1C[C@@H]2[CH]3 35.59825

133813 C1C=C2C3C4OC13C24 O=C[CH]C1=C[C]C[CH]1 [CH]1[C][C@H]2[C@]3(C1)O[C@@H]3[CH]2 43.07880

133814 C1N2C3C4=CCC13C24 [CH]1[C][CH]N2[CH][C](C1)C2 C1[CH][C@]23[C@@]41CN([C@@H]24)[CH]3 32.72908

133816 N1C2C3OC4C3C1=NC24 N1[CH][C@@H]2[C@@H]3[C]1[N][CH][C@@H]3O2 O1[C@@H]2[C@@H]3[C@H]1[C@@H]1[C@H]2[N][C 28.70228

133819 C1CC23OC4C2C=C1C34 O=C1CC[C]2[C@@H]1[CH]C=C2 C1C[C@@]23[C@@H]4[C]1[CH][C@H]3[C@@H]4O2 29.46294

133820 N1C2C3OC4C=CC2C134 C1=CO[C@@H]2[C@H](C=C1)N[C]2 [CH]1[CH][C@H]2[C@]34[C@H]1O[C@@H]3[C@H] 40.60932

133821 C1C2C3CCC4OC2C134 O=C[C@@H]1C[C]2[C@@H]1CC[CH]2 C1C[C@H]2[C@@]34[C@@H]1O[C@@H]3[C@@H]2C4 44.38319

133822 CC12C3C1C1=CC2=CC31 C[C@]12[C]3[CH][C][C@@H]2[C@@H]1C=C3 C[C@@]12[C]3[CH][C@@H]4[C@H]2[C@H]1[C]4[ 26.82297

133823 CC12C3N1C1C=C2C=C31 C[C@]12N3[C@H]1[C@]14[C@]52[C@H]([C@H]31 C[C@]12[C]3[CH][C@@H]4N1[C@H]2[C]4[CH]3 27.83712

133824 OC12C3C1C1=CC2=CC31 O[C@]12[C@@H]3[C@H]1[C@]14[C@]52[C@H]([C O[C@@]12[C]3[CH][C@@H]4[C@H]2[C@H]1[C]4[ 27.02883

133825 CC12C3C1C1=CC2C3=C1 C[C@]12[C@H]3[C@@H]2[C@@]24[C@@H]1[C@H]1 C[C@@]12[C@H]3[CH][C]4[C@@H]1[C@@H]2[C]3 29.56992

133826 CC12C3N1C1=NC2C3=C1 C#C[C@@H]1N2[C@]1(C)[CH][N][C]2 C[C@@]12[C@@H]3[N][C]4N2[C@H]1[C]3[CH]4 29.73592

133827 OC12C3C1C1=CC2C3=C1 OC1=C[CH][C]2[C@@H]1[CH][C][CH]2 O[C@@]12[C@H]3[CH][C]4[C@@H]1[C@@H]2[C]3 36.79589

133828 CC12C3C1C1=CC2CC31 C[C@]12[C@@H]3C[C@@H]4[C@H]1[C@H]2[C@H]3 C[C@]12[C@H]3[CH][C]4[C@@H]2[C@@H]1[C@H] 31.66726

133829 CC12C3C1C1=CC2OC31 C[C@]12[C@@H]3O[C@@H]4[C@H]1[C@H]2[C@H]3 C[C@]12[C@@H]3O[C@@H]4[C@H]1[C@H]2[C]4[C 31.93216

133832 NC12C3C1C1=NC2CN31 N[C][C@@H]1[CH][C]2N1C[CH][N]2 N[C@]12[C@@H]3CN4[C@H]1[C@H]2[C]4[N]3 47.75355

133833 OC12C3C1C1=CC2CC31 O[C@]12[C@@H]3C[C@@H]4[C@H]1[C@H]2[C@H]3 O[C@]12[C@H]3[CH][C]4[C@@H]2[C@@H]1[C@H] 25.00627

133834 OC12C3C1C1=CC2OC31 O[C@]12[C@@H]3O[C@@H]4[C@H]1[C@H]2[C@H]3 O[C@]12[C@@H]3O[C@@H]4[C@H]1[C@H]2[C]4[C 19.69767

133836 CC12C3C1C1=CC3C2=C1 C[C@@]12[C@H]3[C@@H]1[C@]14[C@@]52[C@@H] C[C@]12[C]3[CH][C]4[C@H]1[C@H]2[C@H]3[CH 35.86829

133837 CC12C3C4N=C(C=C14)N23 C[C@@]1([CH][N]1)C1=C[N][C][CH]1 C[C@]12[C]3[CH][C]4N2[C@@H]1[C@@H]3[N]4 39.74670

133838 CC12C3N1C1C=C3C=C21 C[C@@]12N3[C@@H]1[C@]14[C@@]52[C@@H]3[C@ C[C@]12[C]3[CH][C]4[C@H]1N2[C@H]3[CH]4 23.23402

133839 OC12C3C1C1=CC3C2=C1 O[C@@]12[C@H]3[C@@H]1[C@]14[C@@]52[C@@H] O[C@]12[C]3[CH][C]4[C@H]1[C@H]2[C@H]3[CH 29.94140

133840 CC12C3C1C1=CC3CC21 C[C@@]12[C@@H]3[C][C@@H]4[C@H]2[C@H]1[C@ C[C@@]12[C@H]3C[C@H]4[C@@H]1[C@@H]2[C]3[ 32.06823

133842 CC12C3C4CC1C(=N4)N23 CC1=CC[C@H]2[C@@H]1N=[C][N]2 C[C@@]12[C@H]3C[C@H]4[C@@H]1N2[C]3[N]4 45.21286

133843 CC12C3N1C1CC2C3=C1 C[C@]12[N][C@@H]3C[C@H]1[C]1[C@H]2[C@H]3 C[C@]12[C@H]3C[C@H]4N2[C@@H]1[C]3[CH]4 29.19500

133844 OC12C3C1C1=CC3CC21 O[C@@]12[C@@H]3[C][C@@H]4[C@H]2[C@H]1[C@ O[C@@]12[C@H]3C[C@H]4[C@@H]1[C@@H]2[C]3[ 26.23905

133845 OC12C3C1C1=CC3OC21 O[C@@]12[C@H]3O[C@H]4[C@@H]1[C@@H]2[C][C O[C@@]12[C@H]3O[C@H]4[C@@H]1[C@@H]2[C]3[ 36.52107

133846 CC12C3C1C1CC3C2=C1 C[C@@]12[C@H]3[C][C@H]4[C@@H]1[C@@H]2[C@ C[C@]12[C]3[CH][C@@H]4[C@H]1[C@H]2[C@H]3 16.34324

133847 CC12C3C1C1OC3C2=C1 C[C@@]12[C@H]3[C][C@H]4[C@@H]1[C@@H]2[C@ C[C@]12[C]3[CH][C@@H]4[C@H]1[C@H]2[C@H]3 33.71965

133849 CC12C3C4CC(C=C14)N23 C[C@]12[C@@H]3[N][C@@H]4[C@H]1[C]2[C@H]3 C[C@]12[C]3[CH][C@H]4N2[C@@H]1[C@@H]3C4 28.40583

133851 OC12C3C1C1CC3C2=C1 O[C@@]12[C@H]3[C][C@H]4[C@@H]1[C@@H]2[C@ O[C@]12[C]3[CH][C@@H]4[C@H]1[C@H]2[C@H]3 16.10464

133852 OC12C3C1C1OC3C2=C1 O[C@@]12[C@H]3[C][C@H]4[C@@H]1[C@@H]2[C@ O[C@]12[C]3[CH][C@@H]4[C@H]1[C@H]2[C@H]3 39.44321

133854 CC12CC34CC=C(C13)C24 C[C@]12[CH][C]3[C@@H]2[C](C1)C[CH]3 C[C@]12C[C@]34[C@H]1[C]([C@H]23)[CH]C4 42.43835

133855 CC12OC34CC=C(C13)C24 O=C1C[CH][C]2[C@@H]1C(=C2)C C[C@]12O[C@]34[C@H]1[C]([C@H]23)[CH]C4 42.95069

133856 OC12CC34CC=C(C13)C24 O[C@]12[CH][C][CH]C[C]([CH]1)C2 O[C@]12C[C@]34[C@H]1[C]([C@H]23)[CH]C4 31.59481

133858 CC1N2C3C4=CCC13C24 C[C@H]1[C]2C[CH][C]3[C@@H]2N1[CH]3 C[C@@H]1N2[C@H]3[C@@]41[C@@H]2[C]3[CH]C4 36.26795

133860 OC1C2C3C4=CCC13C24 O[C@@H]1[C@H]2[C@]31C[CH][C]1[C@H]2[C@H] O[C@@H]1[C@H]2[C@]31C[CH][C][C@@H]3[CH]2 27.08847

133864 C1C2CC3OC4CC1C234 [CH]1C[C@@H]2C[C@H]3[C]2[C@@H](O1)C3 C1[C@@H]2C[C@H]3[C@@]42[C@@H]1C[C@H]4O3 44.10203

133865 C1C2CN3CC4OC1C234 [CH]1CN2C[C@H]3[C]2[C@@H](O1)C3 C1[C@H]2CN3[C@]42[C@H]1O[C@@H]4C3 34.23513

133866 C1C2OC3CC4OC1C234 [CH]1O[C@@H]2C[C@H]3[C]2[C@@H](C1)O3 C1[C@@H]2O[C@H]3[C@@]42[C@@H]1O[C@H]4C3 33.58735

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