0 B10R1.20 CCC1=CC=CC=C1C=O 102267 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.20 COC1=C(C#N)C=NC=C1 20697 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.20 COC1=C(CCl)C=CC=C1 21479 [0,0,0,0,0,0|1,0,1]=2 3 B10R1.20 N#CC1=CC=CC=C1CBr 10162 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.20 O=CC1=CC=CC=C1C=O 15837 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.20 SCC1=CC=CC=C1CS 814 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.15 CC1=C(CO)C=NC=C1 15752 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.15 CC1=CC=CC=C1CCl 16097 [1,0,0,0,0,0|1,0,1]=3 8 B9R1.15 NCC1=C(O)C=CC=C1 103068 [1,0,0,0,0,0|1,0,1]=3 9 B9R1.15 O=CC1=C(Cl)C=CC=C1 15855 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.15 O=CC1=CC=CC=C1O 20957 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.41 CCC1=CC=CC=C1CNC 102275 [0,1,0,0,0,0|1,0,2]=4 12 B9R0.45 C\C=C\C=C/C=C/CCC 102629 [0,0,1,0,0,0|1,0,2]=4 13 B11R2.1 BrC1=NOC2=NC=CC=C12 20690 [0,0,0,1,0,0|3,0,0]=4 14 B11R2.1 CC1=CCC2=CC=CC=C12 16664 [0,0,0,1,0,0|1,0,1]=3 15 B11R2.1 CC1C=CC2=CC=CC=C21 16652 [0,0,0,1,0,0|1,0,0]=2 16 B11R2.1 CN1N=CC2=C1N=CC=C2 20699 [0,0,0,1,0,0|3,0,0]=4 17 B11R2.1 ClC1=NOC2=C1C=CC=N2 20480 [0,0,0,1,0,0|3,0,0]=4 18 B11R2.20 C1=CC=C2C=NC=CC2=C1 101921 [0,0,0,1,0,0|2,0,0]=3 19 B11R2.20 C1=CC=C2N=CC=CC2=C1 101934 [0,0,0,1,0,0|1,0,1]=3 20 B11R2.20 C1=CC=C2OCC=CC2=C1 16689 [0,0,0,1,0,0|0,0,0]=1 21 B11R2.54 O=C1C(=O)C2=CC=CC=C12 16264 [0,0,0,1,0,0|3,0,0]=4 22 B11R2.54 O=C1C2=CC=CC=C2C1Cl 16693 [0,0,0,1,0,0|3,0,0]=4 23 B8R0.4 C=C\C=C\C=C\CCC 102625 [1,0,1,0,0,0|0,0,2]=4 24 B8R1.5 CC1=CC=CN=C1O 20633 [2,0,0,0,0,0|1,0,1]=4 25 B8R1.5 FC1=C(I)C=CC=C1 102030 [2,0,0,0,0,0|2,0,0]=4 26 B8R1.5 NC1=CC=CC=C1N 22078 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.2 O=CC1=CC=CC(F)=C1F 103010 [1,1,0,0,0,0|2,0,0]=4 28 B10R1.4 CC1=C(\C=N\O)C=NC=C1 15754 [1,1,0,0,0,0|2,0,0]=4 29 B10R1.4 CC1=CC=CC=C1NC=O 20052 [1,1,0,0,0,0|1,0,0]=3 30 B10R1.4 O\N=CC1=CC=CC=C1Br 20508 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.25 CC1=CC=C(CCl)C(C)=C1 16098 [1,1,0,0,0,0|1,0,1]=4 32 B10R1.25 O=CC1=C(O)C=C(O)C=C1 15667 [1,1,0,0,0,0|1,0,0]=3 33 B10R1.30 O=CC1=CC(F)=CC=C1F 102033 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.61 CC1=C(C(=O)O)C=NC=C1 15747 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.61 CC1=C(C(=O)O)C=NC=C1 15765 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.61 CC1=C(C(N)=O)C=NC=C1 15751 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.61 CC1=CC=CC=C1C(=O)Br 16795 [1,1,0,0,0,0|1,0,0]=3 38 B10R1.61 CN(C)C1=C(F)C=CC=C1 102910 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.61 NC(=O)C1=CC=CC=C1F 102470 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.61 NC(=O)C1=CC=CC=C1I 10354 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.61 NC1=CC=CC=C1C(=O)O 22066 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.61 O=C(O)C1=C(Cl)C=CC=C1 101190 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.61 O=C(O)C1=C(O)C=CC=C1 15776 [1,1,0,0,0,0|1,0,0]=3 44 B10R1.61 O=C(O)C1=CC=CC=C1F 100197 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 20069 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.245 O=CC1=C(F)C=CC=C1F 102032 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.46 COC1=CC=C(F)C=C1C(=O)O 102473 [0,2,0,0,0,0|1,0,0]=3 48 B12R1.57 COC1=C([N+](=O)[O-])C=CC(N)=C1 20546 [0,2,0,0,0,0|2,0,0]=4 49 B12R1.78 COC1=CC=C(C=O)C=C1OC 15846 [0,2,0,0,0,0|1,0,1]=4 50 B12R1.448 COC1=CC(Cl)=C(Cl)C=C1OC 1130 [0,2,0,0,0,0|1,0,1]=4 51 B12R1.75 CCC1=CC=CC=C1NC(C)=O 17109 [0,2,0,0,0,0|1,0,1]=4 52 B12R1.75 COC1=CC=CC=C1NC(C)=O 17112 [0,2,0,0,0,0|0,0,1]=3 53 B12R1.283 C=CCC1=CC=CC=C1C(=O)O 16551 [0,2,0,0,0,0|2,0,0]=4 54 B12R1.283 CC=CC1=CC=CC=C1C(=O)O 16550 [0,2,0,0,0,0|2,0,0]=4 55 B12R1.283 C\C=C\C1=CC=CC=C1C(=O)O 16556 [0,2,0,0,0,0|2,0,0]=4 56 B12R1.76 C=CC1=C(S(N)(=O)=O)C=CC=C1 10623 [0,2,0,0,0,0|1,1,0]=4 57 B12R1.76 COC1=C([Si](C)(C)C)C=CC=C1 100504 [0,2,0,0,0,0|0,1,1]=4 58 B12R1.261 CC(C)C1=CC=CC=C1C(=O)O 15245 [0,2,0,0,0,0|2,0,0]=4 59 B12R1.437 COC1=C(C(=O)O)C(C)=CC=C1 15232 [0,2,0,0,0,0|1,0,0]=3 60 B12R1.437 COC1=CC=CC(F)=C1C(=O)O 102494 [0,2,0,0,0,0|1,0,0]=3 61 B10R1.15 CNC(=O)C1=CC=CC=C1 20760 [0,0,1,1,0,0|2,0,0]=4 62 B10R1.15 C\C=C(\C)C1=CC=CC=C1 103072 [0,0,1,1,0,0|1,0,1]=4 63 B10R1.17 C=C\C=C\C1=CC=CC=C1 103200 [0,0,1,1,0,0|1,0,1]=4 64 B10R1.176 COC1=CC=C(Br)C(C)=C1 16780 [0,0,1,1,0,0|1,0,1]=4 65 B10R1.176 COC1=CC=C(Cl)C(C)=C1 16021 [0,0,1,1,0,0|1,0,1]=4 66 B10R2.320 CC1CC2=CC=CC=C21 16579 [1,0,0,1,0,0|0,0,2]=4 67 B10R2.320 ClC1CC2=CC=CC=C21 16435 [1,0,0,1,0,0|1,0,1]=4 68 B10R2.320 O=C1CC2=CC=CC=C12 16218 [1,0,0,1,0,0|1,0,0]=3 69 B10R2.320 OC1CC2=CC=CC=C21 16154 [1,0,0,1,0,0|1,0,1]=4 70 B10R2.320 [NH3+]C1CC2=CC=CC=C21 16601 [1,0,0,1,0,0|1,0,1]=4 71 B12R2.2017 C1=CC=C2C=CC=CC(=C1)C2 16521 [0,0,0,1,0,1|1,0,1]=4 72 B12R2.2017 C1=CC=C2C=CC=CC(=C1)[CH+]2 15133 [0,0,0,1,0,1|1,0,1]=4 73 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 101960 [0,1,0,1,0,0|1,0,1]=4 74 B12R2.24 CC1=CC2=CC=CC=C2C=N1 16471 [0,1,0,1,0,0|2,0,0]=4 75 B12R2.24 C[N+]1=CC2=CC=CC=C2C=C1 15360 [0,1,0,1,0,0|1,0,0]=3 76 B12R2.24 FC1=CC2=C(C=CC=C2)N=C1 100817 [0,1,0,1,0,0|1,0,1]=4 77 B12R2.24 O=C1C=CC2=CC=CC=C2N1 101464 [0,1,0,1,0,0|1,0,1]=4 78 B12R2.24 O=C1CSC2=CC=CC=C2N1 102677 [0,1,0,1,0,0|1,1,0]=4 79 B12R2.1 COC1=CCC2=CC=CC=C21 16665 [0,1,0,1,0,0|0,0,1]=3 80 B12R2.1 N\N=C1\CCC2=CC=CC=C21 10291 [0,1,0,1,0,0|2,0,0]=4 81 B12R2.18 C=C1C(=O)NC2=CC=CC=C12 18545 [0,1,0,1,0,0|1,0,1]=4 82 B12R2.18 CC1=C(C)C2=CC=CC=C2C1 16651 [0,1,0,1,0,0|1,0,1]=4 83 B12R2.18 CC1=C(C)C2=CC=CC=C2N1 16046 [0,1,0,1,0,0|1,0,1]=4 84 B12R2.18 CC1=CC2=CC=CC=C2C1O 16748 [0,1,0,1,0,0|2,0,0]=4 85 B12R2.18 CC1CC2=CC=CC=C2C1=O 16626 [0,1,0,1,0,0|2,0,0]=4 86 B12R2.18 CN1C(=O)CC2=CC=CC=C21 18631 [0,1,0,1,0,0|1,0,1]=4 87 B12R2.1081 BrC1=C2N=CC=CC2=CC=C1 101970 [0,1,0,1,0,0|1,0,1]=4 88 B12R2.1081 O=C1C=CCC2=CC=CC=C12 18244 [0,1,0,1,0,0|1,0,1]=4 89 B12R2.1081 O=C1C=CNC2=CC=CC=C12 101470 [0,1,0,1,0,0|1,0,1]=4 90 B12R2.1806 COC1=C2C(=O)CC2=CC=C1 16230 [0,1,0,1,0,0|0,0,1]=3 91 B12R2.2028 CC1=CC(O)C2=CC=CC=C12 16634 [0,1,0,1,0,0|1,0,1]=4 92 B12R2.2028 CC1C=C(Cl)C2=CC=CC=C21 16666 [0,1,0,1,0,0|1,0,0]=3 93 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 16621 [0,1,0,1,0,0|1,0,1]=4 94 B12R2.2028 O=C1C=[N+]([O-])C2=CC=CC=C12 10666 [0,1,0,1,0,0|2,0,0]=4 95 B12R2.2403 CC1(C)C=CC2=CC=CC=C21 16650 [0,1,0,1,0,0|1,0,0]=3 96 B12R2.2403 CC1(C)C=NC2=CC=CC=C21 16056 [0,1,0,1,0,0|2,0,0]=4