0 B10R1.4 CC1=CC=CC=C1NC=O 20052 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.4 O\N=CC1=CC=CC=C1Br 20508 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.8 Br\C=C/C1=CC=CC=C1 102665 [1,0,0,0,0,0|1,0,2]=4 3 B9R1.8 COCC1=CC=CC=C1 102522 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.8 C\C=C/C1=CC=CC=C1 103008 [1,0,0,0,0,0|1,0,2]=4 5 B9R1.8 F\C=C\C1=CC=CC=C1 102664 [1,0,0,0,0,0|1,0,2]=4 6 B9R1.8 I\C=C\C1=CC=CC=C1 103084 [1,0,0,0,0,0|1,0,2]=4 7 B9R1.8 NCCC1=CC=CC=C1 11614 [1,0,0,0,0,0|0,0,0]=1 8 B9R1.8 NCCC1=CC=CC=C1 12328 [1,0,0,0,0,0|0,0,0]=1 9 B9R1.8 [N-]=[N+]=NC1=CC=CC=C1 22277 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.8 [NH3+]CCC1=CC=CC=C1 12322 [1,0,0,0,0,0|0,0,1]=2 11 B9R1.15 CC1=C(CO)C=NC=C1 15752 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.15 CC1=CC=CC=C1CCl 16097 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.15 NCC1=C(O)C=CC=C1 103068 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.15 O=CC1=C(Cl)C=CC=C1 15855 [1,0,0,0,0,0|1,1,1]=4 15 B9R1.15 O=CC1=CC=CC=C1O 20957 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.17 CC1=CC=CC=C1COC=O 16773 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.17 CC1=CC=CC=C1CSC#N 16772 [0,1,0,0,0,0|1,0,2]=4 18 B11R1.17 COCOC1=C(F)C=CC=C1 100829 [0,1,0,0,0,0|2,1,0]=4 19 B11R1.17 COCOC1=CC=CC=C1Cl 102905 [0,1,0,0,0,0|2,1,0]=4 20 B11R1.41 CCC1=CC=CC=C1CNC 102275 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.81 CNCC1=CC=C(Cl)C=C1O 19425 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.86 CC(=O)NC1=CC=CC=C1Br 17116 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.86 NC1=C(OC(F)F)C=CC=C1 10011 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 102170 [0,1,0,0,0,0|1,0,1]=3 25 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 20759 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.86 O=C(O)CC1=CC=CC=C1Cl 102178 [0,1,0,0,0,0|1,1,1]=4 27 B11R1.86 O=C(O)CC1=CC=CC=C1O 19282 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.605 OCCC1=C(Cl)C=CC=C1Cl 101175 [0,1,0,0,0,0|1,1,0]=3 29 B9R0.45 C\C=C\C=C/C=C/CCC 102629 [0,0,1,0,0,0|2,0,0]=3 30 B11R2.10 NC1=NC2=CC=CC=C2N1 500 [0,0,0,1,0,0|2,0,1]=4 31 B11R2.20 C1=CC2=C(CCCC2)N=C1 20737 [0,0,0,1,0,0|3,0,0]=4 32 B11R2.20 C1=CC=C2OCC=CC2=C1 16689 [0,0,0,1,0,0|3,0,0]=4 33 B11R2.104 CC1=C2CC(=O)C2=CC=C1 16220 [0,0,0,1,0,0|2,0,1]=4 34 B11R2.988 C=CC1CC2=CC=CC=C21 16578 [0,0,0,1,0,0|2,0,1]=4 35 B11R2.988 N#CC1CC2=CC=CC=C21 16577 [0,0,0,1,0,0|1,0,2]=4 36 B8R0.4 C=C\C=C\C=C\CCC 102625 [1,0,1,0,0,0|1,0,0]=3 37 B8R1.2 NCC1=NC=CC=C1 21601 [2,0,0,0,0,0|1,0,0]=3 38 B8R1.5 BrC1=C(I)C=NC=C1 100763 [2,0,0,0,0,0|2,0,0]=4 39 B8R1.5 BrC1=CC=CN=C1I 101630 [2,0,0,0,0,0|2,0,0]=4 40 B8R1.5 CC1=CC=CN=C1O 20633 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.5 FC1=C(I)C=CC=C1 102030 [2,0,0,0,0,0|1,1,0]=4 42 B8R1.5 NC1=CC=CC=C1N 22078 [2,0,0,0,0,0|1,0,0]=3 43 B8R1.5 NC1=CC=CN=C1Cl 20953 [2,0,0,0,0,0|1,1,0]=4 44 B10R0.4 CCC\C=C\C=C/C=C(C)C 100532 [0,1,1,0,0,0|2,0,0]=4 45 B10R1.1 CCOC1=CC=C(Br)C=C1 100870 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.1 NCCC1=CC=C(O)C=C1 15431 [1,1,0,0,0,0|0,0,0]=2 47 B10R1.1 NCCC1=CC=C(O)C=C1 17135 [1,1,0,0,0,0|0,0,0]=2 48 B10R1.10 N#CCC1=CC=CC(F)=C1 102623 [1,1,0,0,0,0|0,0,2]=4 49 B10R1.10 NCCC1=CC(O)=CC=C1 17137 [1,1,0,0,0,0|0,0,0]=2 50 B10R1.15 CC(C#N)C1=CC=CC=C1 14750 [1,1,0,0,0,0|0,0,2]=4 51 B10R1.15 NCC(O)C1=CC=CC=C1 12321 [1,1,0,0,0,0|0,0,0]=2 52 B10R1.15 O=C(CBr)C1=CC=CC=C1 18427 [1,1,0,0,0,0|1,0,1]=4 53 B10R1.15 OCC(O)C1=CC=CC=C1 731 [1,1,0,0,0,0|1,0,0]=3 54 B10R1.17 CC\C=C\C1=CC=CC=C1 102672 [1,1,0,0,0,0|1,0,1]=4 55 B10R1.17 N#C[Se]CC1=CC=CC=C1 20016 [1,1,0,0,0,0|0,0,2]=4 56 B10R1.18 CC(=O)CC1=CC=CC=C1 12126 [1,1,0,0,0,0|1,0,1]=4 57 B10R1.18 N=C(N)CC1=CC=CC=C1 745 [1,1,0,0,0,0|0,0,1]=3 58 B10R1.18 O=C(O)CC1=CC=CC=C1 12288 [1,1,0,0,0,0|1,0,1]=4 59 B10R1.18 O=C(O)CC1=CC=CC=C1 15735 [1,1,0,0,0,0|1,0,1]=4 60 B10R1.20 CCC1=CC=CC=C1C=O 102267 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.20 COC1=C(CCl)C=CC=C1 21479 [1,1,0,0,0,0|1,1,0]=4 62 B10R1.20 N#CC1=CC=CC=C1CBr 10162 [1,1,0,0,0,0|0,0,2]=4 63 B10R1.20 SCC1=CC=CC=C1CS 814 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.25 CC1=CC=C(CCl)C(C)=C1 16098 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.30 OCC1=CC(F)=CC=C1F 102036 [1,1,0,0,0,0|1,1,0]=4 66 B10R1.61 CN(C)C1=C(F)C=CC=C1 102910 [1,1,0,0,0,0|1,1,0]=4 67 B10R1.61 NC(=O)C1=CC=CC=C1F 102470 [1,1,0,0,0,0|0,1,1]=4 68 B10R1.61 NC(=O)C1=CC=CC=C1I 10354 [1,1,0,0,0,0|0,1,1]=4 69 B12R1.267 COCOCC1=C(F)C=CC=C1 102894 [0,2,0,0,0,0|1,1,0]=4 70 B12R1.151 FC(F)(F)OC1=C(Br)C=CC=C1 100481 [0,2,0,0,0,0|2,0,0]=4 71 B12R1.354 CCC(O)C1=CC(C)=CC=C1O 13683 [0,2,0,0,0,0|2,0,0]=4 72 B10R2.320 CC1CC2=CC=CC=C21 16579 [1,0,0,1,0,0|1,0,0]=3 73 B10R2.320 ClC1CC2=CC=CC=C21 16435 [1,0,0,1,0,0|1,0,0]=3 74 B10R2.320 O=C1CC2=CC=CC=C12 16218 [1,0,0,1,0,0|1,0,1]=4 75 B10R2.320 OC1CC2=CC=CC=C21 16154 [1,0,0,1,0,0|1,0,0]=3 76 B10R2.320 [NH3+]C1CC2=CC=CC=C21 16601 [1,0,0,1,0,0|0,0,1]=3 77 B12R2.24 CN1CCC2=CC=CC=C2C1 101931 [0,1,0,1,0,0|1,0,0]=3 78 B12R2.24 OC1=CC=C2CCNCC2=C1 15601 [0,1,0,1,0,0|1,0,0]=3 79 B12R2.24 OC1=CC=C2CNCCC2=C1 15599 [0,1,0,1,0,0|1,0,0]=3 80 B12R2.18 CC1CC2=CC=CC=C2C1=O 16626 [0,1,0,1,0,0|2,0,0]=4 81 B12R2.18 N[C@H]1C2=CC=CC=C2C[C@H]1O 19197 [0,1,0,1,0,0|2,0,0]=4