0 B10R1.1 CC1=CN=C(CCO)C=C1 032578 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.8 CCC[N+]1=CC=CC=C1 243010 [1,0,0,0,0,0|1,0,2]=4 2 B9R1.8 N#CC[N+]1=CC=CC=C1 181003 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.1 CCCCC1=CC=C(S)C=C1 023116 [0,1,0,0,0,0|0,1,2]=4 4 B11R1.1 CCCSC1=CC=C(Cl)C=C1 094923 [0,1,0,0,0,0|1,0,2]=4 5 B11R1.1 COCOC1=CC=C(Br)C=C1 235426 [0,1,0,0,0,0|2,0,1]=4 6 B11R1.1 OCCCC1=CC=C(O)C=C1 209107 [0,1,0,0,0,0|0,0,2]=3 7 B11R1.20 C=C(C)CC1=CC=C(Cl)C=C1 200111 [0,1,0,0,0,0|1,0,0]=2 8 B11R1.20 O=C(Cl)CC1=CC=C(I)C=C1 402653 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.83 C=CCC1=CC=C(CC)C=C1 022320 [0,1,0,0,0,0|1,0,0]=2 10 B11R1.83 COC1=CC=C(OC#N)C=C1 009599 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.83 COCC1=CC=C(C#N)C=C1 075988 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.192 NCCC1=CC(F)=C(Cl)C=C1 070560 [0,1,0,0,0,0|2,0,1]=4 13 B11R2.36 CC1=CC2=C(C=C1)NN=C2 079331 [0,0,0,1,0,0|3,0,0]=4 14 B11R2.36 FC1=CC=C2NN=CC2=C1 032776 [0,0,0,1,0,0|3,0,0]=4 15 B11R2.36 OC1=CC=C2NC=CC2=N1 231128 [0,0,0,1,0,0|2,0,0]=3 16 B8R1.2 C=C[N+]1=CC=CC=C1 180799 [2,0,0,0,0,0|1,0,0]=3 17 B8R1.3 CC1=CC=[N+](C)C=C1 180824 [2,0,0,0,0,0|2,0,0]=4 18 B8R1.3 CC1=CN=C(O)C=N1 077046 [2,0,0,0,0,0|2,0,0]=4 19 B8R1.3 CC1=NC=C(O)C=N1 077095 [2,0,0,0,0,0|2,0,0]=4 20 B8R1.3 [2H]C1=CC=C(Br)C=C1 043269 [2,0,0,0,0,0|2,0,0]=4 21 B10R1.25 FC1=CC(F)=C(CS)C=C1 024358 [1,1,0,0,0,0|2,0,0]=4 22 B10R1.176 C(=O)C1=CC(Cl)=C(C)C=C1 208274 [1,1,0,0,0,0|2,0,0]=4 23 B10R1.4 CNCC1=CC=CC=C1Cl 060304 [1,1,0,0,0,0|1,0,1]=4 24 B10R1.10 C=CCC1=CC(Br)=CC=C1 200068 [1,1,0,0,0,0|0,0,0]=2 25 B10R1.10 CC1=CC=CC(CCBr)=C1 020899 [1,1,0,0,0,0|1,0,1]=4 26 B10R1.10 CNCC1=CC=CC(Cl)=C1 222557 [1,1,0,0,0,0|1,0,1]=4 27 B10R1.10 [C-]#[N+]CC1=CC=CC(Cl)=C1 021061 [1,1,0,0,0,0|1,0,1]=4 28 B10R1.15 OC(CF)c1ccccc1 195755 [1,1,0,0,0,0|1,0,1]=4 29 B10R1.15 [C-]#[N+][C@@H](C)C1=CC=CC=C1 021085 [1,1,0,0,0,0|1,0,1]=4 30 B10R1.17 O\N=C\CC1=CC=CC=C1 180100 [1,1,0,0,0,0|1,0,0]=3 31 B10R1.18 O=C(O)C[N+]1=CC=CC=C1 181870 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 180386 [1,1,0,0,0,0|2,0,0]=4 33 B12R1.16 O=C\C=C(/Cl)C1=CC=C(Cl)C=C1 020001 [0,2,0,0,0,0|1,0,1]=4 34 B12R1.21 NC(=O)\C=C\C1=CC=C(F)C=C1 102676 [0,2,0,0,0,0|1,0,1]=4 35 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 093009 [0,2,0,0,0,0|2,0,0]=4 36 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 086592 [0,2,0,0,0,0|2,0,0]=4 37 B12R1.49 CNC(=O)CC1=CC=C(F)C=C1 102257 [0,2,0,0,0,0|1,0,1]=4 38 B12R1.69 O=CNCC1=C(F)C=C(F)C=C1 104499 [0,2,0,0,0,0|2,0,0]=4 39 B12R1.71 CCCSC1=CC=C(OC)C=C1 095118 [0,2,0,0,0,0|0,0,2]=4 40 B12R1.19 NC(=O)CC1=CC(F)=C(F)C=C1 102662 [0,2,0,0,0,0|2,0,0]=4 41 B12R1.233 NC(=O)CC1=C(F)C=C(Cl)C=C1 102743 [0,2,0,0,0,0|2,0,0]=4 42 B12R1.233 O=C(Cl)CC1=CC=C(Cl)C=C1F 070168 [0,2,0,0,0,0|2,0,0]=4 43 B12R1.1095 C=CC[N+]1=C(C)C=C(C)C=C1C 181816 [0,2,0,0,0,0|2,0,0]=4 44 B12R1.1123 NCCC1=C(O)C=C(O)C(O)=C1 242528 [0,2,0,0,0,0|1,0,1]=4 45 B12R1.113 OCCC1=CC=C(B(O)O)C=C1 307116 [0,2,0,0,0,0|1,0,1]=4 46 B12R2.82 OC1=C(F)C2=C(C=C1)NC=C2 209060 [0,1,0,1,0,0|1,0,0]=3