0 B11R1.16 N#CCC(=O)C1=CC=CC=C1 502 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.16 O=C(\C=C/[O-])C1=CC=CC=C1 12193 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.16 O=C(\C=C/[O-])C1=CC=CC=C1 12194 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.16 OCCC(O)C1=CC=CC=C1 12195 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.15 C#CC(=O)C1=CC=CC=C1 20316 [1,0,0,0,0,0|0,0,2]=3 5 B10R1.15 CNC(=O)C1=CC=CC=C1 20760 [1,0,0,0,0,0|1,0,0]=2 6 B10R1.15 C\C(=C/Cl)C1=CC=CC=C1 103092 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.15 C\C(=N/O)C1=CC=CC=C1 16747 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.15 C\C=C(\C)C1=CC=CC=C1 103072 [1,0,0,0,0,0|1,0,1]=3 9 B10R1.15 NCC(O)C1=CC=CC=C1 12321 [1,0,0,0,0,0|1,0,2]=4 10 B10R1.15 N\C(=N\O)C1=CC=CC=C1 12254 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.15 O=C(CBr)C1=CC=CC=C1 18427 [1,0,0,0,0,0|1,0,0]=2 12 B10R1.15 OCC(O)C1=CC=CC=C1 731 [1,0,0,0,0,0|1,0,2]=4 13 B10R1.15 O\N=C(\O)C1=CC=CC=C1 12250 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.17 C=C\C=C\C1=CC=CC=C1 103200 [1,0,0,0,0,0|1,0,2]=4 15 B10R1.17 CC\C=C\C1=CC=CC=C1 102672 [1,0,0,0,0,0|1,0,0]=2 16 B10R1.17 CO\C=C\C1=CC=CC=C1 103085 [1,0,0,0,0,0|2,0,0]=3 17 B12R1.3 O=C\C(=C/NO)C1=CC=CC=C1 11881 [0,1,0,0,0,0|3,0,0]=4 18 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 523 [0,1,0,0,0,0|1,0,0]=2 19 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 15716 [0,1,0,0,0,0|0,0,0]=1 20 B12R1.30 CCCCC(O)C1=CC=CC=C1 100952 [0,1,0,0,0,0|1,0,2]=4 21 B12R1.30 CCC\N=C(/C)C1=CC=CC=C1 19936 [0,1,0,0,0,0|2,0,0]=3 22 B12R1.30 CC\C=C\C(O)C1=CC=CC=C1 100808 [0,1,0,0,0,0|1,0,2]=4 23 B12R1.30 CN\C=C/C(=O)C1=CC=CC=C1 13285 [0,1,0,0,0,0|1,0,1]=3 24 B12R1.30 NCCNC(=O)C1=CC=CC=N1 21712 [0,1,0,0,0,0|2,0,0]=3 25 B12R1.30 NCCNC(=O)C1=NC=CC=C1 21700 [0,1,0,0,0,0|2,0,0]=3 26 B12R1.34 C\C(=C\N)C(=O)C1=CC=CC=C1 13309 [0,1,0,0,0,0|2,0,1]=4 27 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 20898 [0,1,0,0,0,0|1,0,1]=3 28 B12R1.107 C\C(N)=C\C(=O)C1=CC=CC=C1 13294 [0,1,0,0,0,0|1,0,1]=3 29 B12R1.308 CCOC(=O)C1=C(C)C=CN=C1 15760 [0,1,0,0,0,0|1,0,0]=2 30 B12R2.2 C1=CC=C(C2=NCCC2)C=C1 19934 [0,0,0,1,0,0|2,0,0]=3 31 B12R2.1081 O=C1C=CCC2=CC=CC=C12 18244 [0,0,0,1,0,0|1,0,1]=3 32 B12R2.1081 O=C1C=CNC2=CC=CC=C12 101470 [0,0,0,1,0,0|2,0,1]=4 33 B12R2.2028 CC1=CC(O)C2=CC=CC=C12 16634 [0,0,0,1,0,0|3,0,0]=4 34 B12R2.2028 CC1C=C(Cl)C2=CC=CC=C21 16666 [0,0,0,1,0,0|2,0,0]=3 35 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 16621 [0,0,0,1,0,0|1,0,0]=2 36 B12R2.2028 O=C1C=[N+]([O-])C2=CC=CC=C12 10666 [0,0,0,1,0,0|3,0,0]=4 37 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 13758 [0,0,0,1,0,0|1,0,1]=3 38 B12R2.2028 O=C1OC(Cl)C2=CC=CC=C12 16304 [0,0,0,1,0,0|1,0,0]=2 39 B12R2.2028 O=C1SC(=O)C2=CC=CC=C12 836 [0,0,0,1,0,0|1,1,1]=4 40 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 22222 [0,0,0,1,0,0|1,0,0]=2 41 B12R1.32 CCC\C(I)=C/C1=CC=CC=C1 100551 [0,0,0,0,0,1|2,0,0]=3 42 B9R0.45 C\C=C\C=C/C=C/CCC 102629 [1,0,1,0,0,0|1,0,1]=4 43 B9R1.6 O=C(O)C1=CC=CC=C1 15736 [2,0,0,0,0,0|0,0,0]=2 44 B9R1.6 O=C(O)C1=CC=CN=C1 20778 [2,0,0,0,0,0|1,0,0]=3 45 B9R1.8 Br\C=C/C1=CC=CC=C1 102665 [2,0,0,0,0,0|1,0,1]=4 46 B9R1.8 COCC1=CC=CC=C1 102522 [2,0,0,0,0,0|0,0,1]=3 47 B9R1.8 C\C=C/C1=CC=CC=C1 103008 [2,0,0,0,0,0|0,0,1]=3 48 B9R1.8 F\C=C\C1=CC=CC=C1 102664 [2,0,0,0,0,0|1,0,1]=4 49 B9R1.8 I\C=C\C1=CC=CC=C1 103084 [2,0,0,0,0,0|1,0,1]=4 50 B9R1.8 NCCC1=CC=CC=C1 11614 [2,0,0,0,0,0|1,0,1]=4 51 B9R1.8 NCCC1=CC=CC=C1 12328 [2,0,0,0,0,0|1,0,1]=4 52 B9R1.8 [NH3+]CCC1=CC=CC=C1 12322 [2,0,0,0,0,0|1,0,1]=4 53 B11R1.36 CC(C)C(C)C1=CC=CC=C1 15777 [1,1,0,0,0,0|1,0,1]=4 54 B11R1.222 COC(=O)C1=NC=CC=C1F 100739 [1,1,0,0,0,0|1,0,0]=3 55 B11R1.1 CCCCC1=CC=C(O)C=C1 17214 [1,1,0,0,0,0|1,0,1]=4 56 B11R1.1 CCCOC1=CC=C(O)C=C1 17213 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.28 CCC\C=C\C1=CC=CC=C1 100517 [1,1,0,0,0,0|1,0,0]=3 58 B11R1.28 C\C=C\C=C/C1=CC=CC=C1 100530 [1,1,0,0,0,0|1,0,1]=4 59 B11R1.40 CC\C(C)=C/C1=CC=CC=C1 100800 [1,1,0,0,0,0|1,0,0]=3 60 B11R1.40 CC\C(I)=C/C1=CC=CC=C1 102669 [1,1,0,0,0,0|1,0,0]=3 61 B11R1.91 C=C(C)\C=C/C1=CC=CC=C1 100560 [1,1,0,0,0,0|1,0,1]=4 62 B11R1.91 C=C(C)\C=C\C1=CC=CC=C1 100556 [1,1,0,0,0,0|1,0,1]=4 63 B11R1.91 CC(C)\C=C/C1=CC=CC=C1 100514 [1,1,0,0,0,0|1,0,0]=3 64 B11R1.15 CCOC(=O)C1=CC(C)=NN1 16715 [0,1,0,0,1,0|2,0,0]=4 65 B11R1.15 CCOC(=O)C1=CSC(C)=N1 460 [0,1,0,0,1,0|2,0,0]=4 66 B11R1.15 CCOC(=O)C1=NNC(C)=C1 19853 [0,1,0,0,1,0|2,0,0]=4 67 B11R1.199 CCOC(=O)C1=C(N)NN=C1 452 [0,1,0,0,1,0|2,0,0]=4 68 B11R1.199 CCOC(=O)C1=C(O)NN=C1 20427 [0,1,0,0,1,0|2,0,0]=4 69 B11R1.199 CCOC(=O)C1=CNN=C1C 16716 [0,1,0,0,1,0|2,0,0]=4 70 B13R1.47 CCOC(=O)C(=O)C1=CC=CN=C1 101982 [0,1,0,0,0,1|1,0,0]=3 71 B13R1.47 CC\C=C(/C)C(O)C1=CC=CC=C1 100562 [0,1,0,0,0,1|2,0,0]=4 72 B13R1.79 CCO\C(C=O)=C/C1=CC=CC=C1 100958 [0,1,0,0,0,1|0,0,0]=2 73 B13R1.29 CCNS(=O)(=O)C1=CC=C(C)C=C1 19127 [0,2,0,0,0,0|2,0,0]=4 74 B13R1.452 CCOC(=O)C1=NC=C(OC)C=C1 13744 [0,2,0,0,0,0|1,0,0]=3 75 B13R1.45 C=C(COC(C)=O)C1=CC=CC=C1 16688 [0,2,0,0,0,0|1,0,1]=4 76 B13R1.45 CC(=O)O\C=C(/C)C1=CC=CC=C1 16788 [0,2,0,0,0,0|1,0,1]=4 77 B13R1.45 CN(C)\C=C\C(=O)C1=CC=CC=C1 9830 [0,2,0,0,0,0|1,0,1]=4 78 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 17073 [0,2,0,0,0,0|1,0,1]=4 79 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 20140 [0,2,0,0,0,0|1,0,1]=4 80 B13R1.86 COP(OC)C(=O)C1=CC=CC=C1 15168 [0,2,0,0,0,0|2,0,0]=4 81 B13R1.352 C=C(O[Si](C)(C)C)C1=CC=CC=C1 16663 [0,2,0,0,0,0|1,1,0]=4 82 B13R1.352 CC(C)(C)NC(=O)C1=CC=CC=C1 19494 [0,2,0,0,0,0|1,0,0]=3 83 B13R1.4453 CCOC(=O)C1=C(O)C=CC=C1C 15256 [0,2,0,0,0,0|0,0,0]=2 84 B11R2.1 CC1=CCC2=CC=CC=C12 16664 [1,0,0,1,0,0|1,0,1]=4 85 B11R2.54 O=C1C(=O)C2=CC=CC=C12 16264 [1,0,0,1,0,0|1,0,1]=4 86 B11R2.54 O=C1C2=CC=CC=C2C1Cl 16693 [1,0,0,1,0,0|1,0,0]=3 87 B11R2.20 C1=CC=C2OCC=CC2=C1 16689 [1,0,0,1,0,0|2,0,0]=4 88 B11R2.106 O=C1CCCC2=C1C=CN2 15564 [0,0,0,1,1,0|2,0,0]=4 89 B13R2.135 CCC1=C(C)NC2=CC=CC=C21 16096 [0,0,0,1,0,1|2,0,0]=4 90 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 16347 [0,0,0,1,0,1|1,0,1]=4 91 B13R2.10 CC1C=C(C2=CC=CC=C2)N=N1 20942 [0,1,0,1,0,0|2,0,0]=4 92 B13R2.2931 COC1=CC(C)C2=CC=CC=C12 16639 [0,1,0,1,0,0|1,0,1]=4 93 B13R2.2931 COC1C=C(C)C2=CC=CC=C21 16647 [0,1,0,1,0,0|2,0,0]=4 94 B13R2.2931 COC1OC(=O)C2=CC=CC=C21 16017 [0,1,0,1,0,0|0,0,0]=2 95 B13R2.4857 CC1=C2C(=O)OC(=O)C2=CC=C1 16000 [0,1,0,1,0,0|1,0,1]=4 96 B13R2.4857 CC1=C2C(=O)OC(O)C2=CC=C1 16016 [0,1,0,1,0,0|1,0,0]=3 97 B13R2.45 CCC1=C(C)C2=CC=CC=C2N1 16059 [0,1,0,1,0,0|2,0,0]=4 98 B13R2.3085 CN1C(=O)C2=CC=CC=C2C1O 16003 [0,1,0,1,0,0|2,0,0]=4 99 B13R2.12159 CC1(C)CC(=O)C2=CC=CC=C21 16653 [0,1,0,1,0,0|1,0,0]=3 100 B13R2.12159 CC1(C)OC(=O)C2=CC=CC=C21 16013 [0,1,0,1,0,0|0,0,0]=2 101 B13R2.12159 CC1=CC(C)(O)C2=CC=CC=C12 16627 [0,1,0,1,0,0|2,0,0]=4 102 B13R1.42 CCCC(=O)NNC1=CC=CC=C1 12167 [0,0,0,0,0,2|1,0,0]=3 103 B13R1.42 CCOC(=O)NCC1=CC=CC=C1 102491 [0,0,0,0,0,2|0,0,0]=2 104 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 100971 [0,0,0,0,0,2|0,0,0]=2 105 B13R1.42 C\C=C\C(=O)NNC1=CC=CC=C1 12166 [0,0,0,0,0,2|1,0,1]=4