0 B9R1.8 BrCCC1=CC=NC=C1 B46088 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.8 CC#CC1=CC=CC=C1 P68608 [0,0,0,0,0,0|1,0,2]=3 2 B9R1.8 CCCC1=NC=CC=C1 P46859 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.8 CCCC1=NC=CN=C1 P43598 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.8 CCNC1=NC=CN=C1 E43330 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.8 CCOC1=NC=CC=C1 E46369 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.8 CNCC1=CC=NC=C1 M43623 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.8 CNCC1=CN=CN=C1 N11436 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.8 CNCC1=CN=NC=C1 M12238 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.8 CNCC1=CN=NC=C1 M27035 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.8 CNCC1=NC=CC=N1 M14362 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.8 CNCC1=NC=CC=N1 M31227 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.8 CNCC1=NC=CN=C1 M14584 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.8 CNNC1=CC=CC=C1 M46459 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.8 COCC1=NC=CC=C1 M46377 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.8 C\C=C\C1=CC=CC=C1 P62367 [0,0,0,0,0,0|1,0,2]=3 16 B9R1.8 IC#CC1=CC=CC=C1 I1886 [0,0,0,0,0,0|1,0,2]=3 17 B9R1.8 N#CCC1=CN=CC=C1 P38543 [0,0,0,0,0,0|1,0,2]=3 18 B9R1.8 N#CCC1=CN=CN=C1 P1642 [0,0,0,0,0,0|2,0,2]=4 19 B9R1.8 N#CCC1=CN=NC=C1 P0143 [0,0,0,0,0,0|2,0,2]=4 20 B9R1.8 N#CCC1=NC=CC=C1 P45196 [0,0,0,0,0,0|1,0,2]=3 21 B9R1.8 N#CCC1=NC=CC=N1 P7449 [0,0,0,0,0,0|2,0,2]=4 22 B9R1.8 N#CCC1=NC=NC=C1 P7453 [0,0,0,0,0,0|2,0,2]=4 23 B9R1.8 N#CCC1=NN=CC=C1 P7452 [0,0,0,0,0,0|2,0,2]=4 24 B9R1.8 N#COC1=CC=CC=C1 P44923 [0,0,0,0,0,0|1,0,2]=3 25 B9R1.8 NCCC1=CC=CN=C1 P43605 [0,0,0,0,0,0|1,0,0]=1 26 B9R1.8 NCCC1=NC=CC=C1 P67673 [0,0,0,0,0,0|1,0,0]=1 27 B9R1.8 NCCC1=NC=NC=C1 P14666 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.8 NCCC1=NC=NC=C1 P29961 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.8 NNCC1=CC=CC=C1 B6123 [0,0,0,0,0,0|1,0,0]=1 30 B9R1.8 NNCC1=CC=CC=C1 B68081 [0,0,0,0,0,0|1,0,0]=1 31 B9R1.8 NNCC1=CC=CN=C1 H0097 [0,0,0,0,0,0|2,0,0]=2 32 B9R1.8 NNCC1=CC=CN=C1 H36962 [0,0,0,0,0,0|2,0,0]=2 33 B9R1.8 NNCC1=CC=CN=N1 H13970 [0,0,0,0,0,0|3,0,0]=3 34 B9R1.8 NNCC1=CC=NC=C1 H0096 [0,0,0,0,0,0|2,0,0]=2 35 B9R1.8 NNCC1=CC=NC=C1 H26285 [0,0,0,0,0,0|2,0,0]=2 36 B9R1.8 NNCC1=CN=CN=C1 H0219 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.8 NNCC1=CN=NC=C1 H12257 [0,0,0,0,0,0|3,0,0]=3 38 B9R1.8 NNCC1=NC=CC=C1 H0098 [0,0,0,0,0,0|2,0,0]=2 39 B9R1.8 NNCC1=NC=CC=N1 H7463 [0,0,0,0,0,0|3,0,0]=3 40 B9R1.8 NNCC1=NC=CN=C1 H7534 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.8 NOCC1=CC=CC=C1 B68114 [0,0,0,0,0,0|1,0,0]=1 42 B9R1.8 O=C=NC1=NC=CC=C1 C64750 [0,0,0,0,0,0|3,0,1]=4 43 B9R1.8 O=COC1=CC=CC=C1 P45508 [0,0,0,0,0,0|2,0,1]=3 44 B9R1.8 OCCC1=CC=NC=C1 H46381 [0,0,0,0,0,0|2,0,0]=2 45 B9R1.8 OCCC1=CN=CC=C1 P46376 [0,0,0,0,0,0|2,0,0]=2 46 B9R1.8 OCCC1=NC=CN=C1 P24824 [0,0,0,0,0,0|3,0,0]=3 47 B9R1.8 ONCC1=CC=CC=C1 B36744 [0,0,0,0,0,0|2,0,0]=2 48 B9R1.8 ONCC1=CC=CC=C1 B46575 [0,0,0,0,0,0|2,0,0]=2 49 B9R1.8 O\N=C\C1=CC=CC=C1 B61148 [0,0,0,0,0,0|2,0,1]=3 50 B9R1.8 S=C=NC1=CC=CC=C1 T64712 [0,0,0,0,0,0|2,0,1]=3 51 B9R1.8 S=C=NC1=CC=NC=C1 T64211 [0,0,0,0,0,0|3,0,1]=4 52 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B66761 [0,0,0,0,0,0|2,0,0]=2 53 B9R1.8 [Mg+]CCC1=CC=CC=C1 P31723 [0,0,0,0,0,0|1,0,0]=1 54 B9R1.8 [N-]=[N+]=NC1=CN=CC=C1 A2019 [0,0,0,0,0,0|3,0,1]=4 55 B8R1.2 BrCC1=CC=NC=C1 B36897 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.2 BrCC1=CN=CC=C1 B23879 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.2 BrCC1=CN=CN=C1 B36879 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.2 BrCC1=NC=CC=C1 B42841 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.2 BrCC1=NC=CN=C1 B36766 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.2 BrCC1=NC=NC=C1 B32305 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.2 BrCC1=NN=CC=C1 B36818 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.2 C#CC1=CC=CN=C1 E12479 [1,0,0,0,0,0|1,0,2]=4 63 B8R1.2 C#CC1=CC=NC=C1 E10312 [1,0,0,0,0,0|1,0,2]=4 64 B8R1.2 C#CC1=CC=NC=C1 E23238 [1,0,0,0,0,0|1,0,2]=4 65 B8R1.2 C#CC1=NC=CC=C1 E12434 [1,0,0,0,0,0|1,0,2]=4 66 B8R1.2 CCC1=NC=CN=C1 E43180 [1,0,0,0,0,0|2,0,0]=3 67 B8R1.2 CNC1=CC=CN=C1 M38086 [1,0,0,0,0,0|2,0,0]=3 68 B8R1.2 CNC1=CC=NC=C1 M68620 [1,0,0,0,0,0|2,0,0]=3 69 B8R1.2 CNC1=CN=CN=C1 M29839 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.2 CNC1=CN=NC=C1 M38382 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.2 CNC1=NC=CN=C1 M41140 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.2 COC1=CC=NC=C1 M9391 [1,0,0,0,0,0|2,0,0]=3 73 B8R1.2 COC1=CN=CC=C1 M67978 [1,0,0,0,0,0|2,0,0]=3 74 B8R1.2 COC1=CN=NC=C1 M41023 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.2 COC1=NC=CC=C1 M39277 [1,0,0,0,0,0|2,0,0]=3 76 B8R1.2 COC1=NC=CN=C1 M2768 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.2 COC1=NN=CC=C1 M41021 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.2 CSC1=NC=CC=N1 M2492 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.2 ClCC1=CC=NC=C1 C68845 [1,0,0,0,0,0|2,0,0]=3 80 B8R1.2 ClCC1=CN=CN=C1 C10228 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.2 ClCC1=NC=CC=C1 C67870 [1,0,0,0,0,0|2,0,0]=3 82 B8R1.2 ClCC1=NC=CC=N1 C0153 [1,0,0,0,0,0|3,0,0]=4 83 B8R1.2 ClCC1=NC=CC=N1 C40877 [1,0,0,0,0,0|3,0,0]=4 84 B8R1.2 ClCC1=NC=CN=C1 C0149 [1,0,0,0,0,0|3,0,0]=4 85 B8R1.2 ClCC1=NC=NC=C1 C40878 [1,0,0,0,0,0|3,0,0]=4 86 B8R1.2 ClCC1=NN=CC=C1 C0156 [1,0,0,0,0,0|3,0,0]=4 87 B8R1.2 NCC1=CC=CN=C1 A69257 [1,0,0,0,0,0|1,0,0]=2 88 B8R1.2 NCC1=CC=CN=N1 A0031 [1,0,0,0,0,0|2,0,0]=3 89 B8R1.2 NCC1=CC=CN=N1 P29569 [1,0,0,0,0,0|2,0,0]=3 90 B8R1.2 NCC1=CC=NC=C1 P67743 [1,0,0,0,0,0|1,0,0]=2 91 B8R1.2 NCC1=CN=CN=C1 P0028 [1,0,0,0,0,0|2,0,0]=3 92 B8R1.2 NCC1=CN=CN=C1 P29548 [1,0,0,0,0,0|2,0,0]=3 93 B8R1.2 NCC1=CN=NC=C1 A0027 [1,0,0,0,0,0|2,0,0]=3 94 B8R1.2 NCC1=CN=NC=C1 P41350 [1,0,0,0,0,0|2,0,0]=3 95 B8R1.2 NCC1=NC=CC=N1 A7421 [1,0,0,0,0,0|2,0,0]=3 96 B8R1.2 NCC1=NC=CC=N1 P0030 [1,0,0,0,0,0|2,0,0]=3 97 B8R1.2 NCC1=NC=CN=C1 P0029 [1,0,0,0,0,0|2,0,0]=3 98 B8R1.2 NCC1=NC=CN=C1 P4303 [1,0,0,0,0,0|2,0,0]=3 99 B8R1.2 NCC1=NC=NC=C1 A0032 [1,0,0,0,0,0|2,0,0]=3 100 B8R1.2 NCC1=NC=NC=C1 A10198 [1,0,0,0,0,0|2,0,0]=3 101 B8R1.2 NCC1=NC=NC=C1 P23754 [1,0,0,0,0,0|2,0,0]=3 102 B8R1.2 NNC1=CC=CC=C1 P68696 [1,0,0,0,0,0|1,0,0]=2 103 B8R1.2 NNC1=CC=CN=C1 H0043 [1,0,0,0,0,0|2,0,0]=3 104 B8R1.2 NNC1=CC=CN=C1 H41349 [1,0,0,0,0,0|2,0,0]=3 105 B8R1.2 NNC1=CC=NC=C1 H0042 [1,0,0,0,0,0|2,0,0]=3 106 B8R1.2 NNC1=NC=CC=C1 H38511 [1,0,0,0,0,0|2,0,0]=3 107 B8R1.2 NNC1=NC=CN=C1 H0220 [1,0,0,0,0,0|3,0,0]=4 108 B8R1.2 NOC1=CC=CC=C1 P43533 [1,0,0,0,0,0|1,0,0]=2 109 B8R1.2 O=CC1=CC=NC=C1 P42598 [1,0,0,0,0,0|2,0,1]=4 110 B8R1.2 O=CC1=CN=CC=C1 P13753 [1,0,0,0,0,0|2,0,1]=4 111 B8R1.2 O=CC1=NC=CC=C1 P67836 [1,0,0,0,0,0|2,0,1]=4 112 B8R1.2 OCC1=CC=NC=C1 P43429 [1,0,0,0,0,0|2,0,0]=3 113 B8R1.2 OCC1=CC=NC=C1 P67894 [1,0,0,0,0,0|2,0,0]=3 114 B8R1.2 OCC1=CN=CC=C1 P15946 [1,0,0,0,0,0|2,0,0]=3 115 B8R1.2 OCC1=CN=CN=C1 P0145 [1,0,0,0,0,0|3,0,0]=4 116 B8R1.2 OCC1=NC=CC=C1 P69303 [1,0,0,0,0,0|2,0,0]=3 117 B8R1.2 OCC1=NC=CC=N1 P0151 [1,0,0,0,0,0|3,0,0]=4 118 B8R1.2 OCC1=NC=CN=C1 P0147 [1,0,0,0,0,0|3,0,0]=4 119 B8R1.2 OCC1=NC=NC=C1 P0160 [1,0,0,0,0,0|3,0,0]=4 120 B8R1.2 OCC1=NN=CC=C1 P0155 [1,0,0,0,0,0|3,0,0]=4 121 B8R1.2 ONC1=CC=CC=C1 P67873 [1,0,0,0,0,0|2,0,0]=3 122 B10R1.1 CC1=CC=C(CC#N)C=C1 M39574 [0,1,0,0,0,0|0,0,2]=3 123 B10R1.1 CC1=CC=C(CCBr)C=C1 B0463 [0,1,0,0,0,0|1,0,0]=2 124 B10R1.1 CC1=CC=C(CCO)C=C1 T50265 [0,1,0,0,0,0|1,0,0]=2 125 B10R1.1 CC1=CC=C(CC[Mg+])C=C1 M31724 [0,1,0,0,0,0|1,0,0]=2 126 B10R1.1 CC1=CC=C(CNN)C=C1 M49662 [0,1,0,0,0,0|1,0,0]=2 127 B10R1.1 CC1=CN=C(CC#N)C=C1 M48792 [0,1,0,0,0,0|1,0,2]=4 128 B10R1.1 CC1=NC=C(CCO)C=C1 M15913 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.1 CCCC1=CC=C(Br)C=C1 B39542 [0,1,0,0,0,0|1,0,0]=2 130 B10R1.1 CCCC1=CC=C(N)C=C1 P68566 [0,1,0,0,0,0|1,0,0]=2 131 B10R1.1 CCCC1=CC=C([Mg+])C=C1 P31760 [0,1,0,0,0,0|1,0,0]=2 132 B10R1.1 CCNC1=CC=C(F)C=C1 E46759 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.1 CCOC1=CC=C(I)C=C1 E49468 [0,1,0,0,0,0|2,0,0]=3 134 B10R1.1 CCOC1=CC=C(O)C=C1 E68898 [0,1,0,0,0,0|2,0,0]=3 135 B10R1.1 CCOC1=CC=C([Mg+])C=C1 E31767 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.1 CCOC1=CN=C(Br)C=C1 B46151 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.1 CCOC1=CN=C(Cl)C=C1 C46184 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.1 CCOC1=CN=C(N)C=C1 E43625 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.1 CCOC1=NC=C(Br)C=C1 B4568 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.1 CCOC1=NC=C(I)C=C1 E46226 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.1 CCSC1=CC=C([Mg+])C=C1 E31791 [0,1,0,0,0,0|2,0,0]=3 142 B10R1.1 CNCC1=CC=C(Br)C=C1 B46738 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.1 CNCC1=CC=C(Br)C=C1 M46740 [0,1,0,0,0,0|2,0,0]=3 144 B10R1.1 CNCC1=CC=C(C)C=C1 M50315 [0,1,0,0,0,0|2,0,0]=3 145 B10R1.1 CNCC1=CC=C(C)C=C1 M52163 [0,1,0,0,0,0|2,0,0]=3 146 B10R1.1 CNCC1=CC=C(Cl)C=C1 C46755 [0,1,0,0,0,0|2,0,0]=3 147 B10R1.1 CNCC1=CC=C(Cl)C=C1 M46757 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.1 COCC1=CC=C(N)C=C1 M46895 [0,1,0,0,0,0|2,0,0]=3 149 B10R1.1 ClC1=CC=C(C#CI)C=C1 C1891 [0,1,0,0,0,0|1,0,2]=4 150 B10R1.1 ClC1=CC=C(CCBr)C=C1 B48760 [0,1,0,0,0,0|1,0,0]=2 151 B10R1.1 FC1=CC=C(C#CI)C=C1 F1901 [0,1,0,0,0,0|1,0,2]=4 152 B10R1.1 FC1=CC=C(CCBr)C=C1 B13769 [0,1,0,0,0,0|1,0,0]=2 153 B10R1.1 FC1=CC=C(CC[Mg+])C=C1 F31725 [0,1,0,0,0,0|1,0,0]=2 154 B10R1.1 N#CCC1=CC=C(Cl)C=C1 C69078 [0,1,0,0,0,0|0,0,2]=3 155 B10R1.1 N#CCC1=CC=C(I)C=C1 K47988 [0,1,0,0,0,0|0,0,2]=3 156 B10R1.1 N#CCC1=CC=C(N)C=C1 A67449 [0,1,0,0,0,0|0,0,2]=3 157 B10R1.1 N#CCC1=CC=C(O)C=C1 H68900 [0,1,0,0,0,0|0,0,2]=3 158 B10R1.1 N#CCC1=CN=C(Cl)C=C1 C44776 [0,1,0,0,0,0|1,0,2]=4 159 B10R1.1 N#CCC1=NC=C(Br)C=C1 B10483 [0,1,0,0,0,0|1,0,2]=4 160 B10R1.1 N#CCC1=NC=C(Cl)C=C1 C44783 [0,1,0,0,0,0|1,0,2]=4 161 B10R1.1 N#CCC1=NC=C(N)C=C1 A61010 [0,1,0,0,0,0|1,0,2]=4 162 B10R1.1 NCCC1=CC=C(Cl)C=C1 C67656 [0,1,0,0,0,0|0,0,0]=1 163 B10R1.1 NCCC1=CC=C(F)C=C1 F69101 [0,1,0,0,0,0|0,0,0]=1 164 B10R1.1 NCCC1=NC=C(Br)C=C1 A1731 [0,1,0,0,0,0|1,0,0]=2 165 B10R1.1 NNCC1=CC=C(Br)C=C1 B0093 [0,1,0,0,0,0|1,0,0]=2 166 B10R1.1 NNCC1=CC=C(Br)C=C1 B12215 [0,1,0,0,0,0|1,0,0]=2 167 B10R1.1 NNCC1=CC=C(Cl)C=C1 C0094 [0,1,0,0,0,0|1,0,0]=2 168 B10R1.1 NNCC1=CC=C(Cl)C=C1 C10206 [0,1,0,0,0,0|1,0,0]=2 169 B10R1.1 NNCC1=CC=C(F)C=C1 F0090 [0,1,0,0,0,0|1,0,0]=2 170 B10R1.1 NOCC1=CC=C(Cl)C=C1 C64524 [0,1,0,0,0,0|1,0,0]=2 171 B10R1.1 NOCC1=CC=C(F)C=C1 F46562 [0,1,0,0,0,0|1,0,0]=2 172 B10R1.1 O=CCC1=CC=C(Br)C=C1 B48709 [0,1,0,0,0,0|1,0,1]=3 173 B10R1.1 O=CCC1=CC=C(Cl)C=C1 C48725 [0,1,0,0,0,0|1,0,1]=3 174 B10R1.1 OC1=CC=C(CCBr)C=C1 B49426 [0,1,0,0,0,0|1,0,0]=2 175 B10R1.1 OCCC1=CC=C(Br)C=C1 B36776 [0,1,0,0,0,0|1,0,0]=2 176 B10R1.1 OCCC1=CC=C(Cl)C=C1 C39522 [0,1,0,0,0,0|1,0,0]=2 177 B10R1.1 OCCC1=CC=C(F)C=C1 F49459 [0,1,0,0,0,0|1,0,0]=2 178 B10R1.1 OCCC1=CC=C(I)C=C1 K49469 [0,1,0,0,0,0|1,0,0]=2 179 B10R1.1 OCCC1=CN=C(Cl)C=C1 C37718 [0,1,0,0,0,0|2,0,0]=3 180 B10R1.1 OCCC1=NC=C(Br)C=C1 B7705 [0,1,0,0,0,0|2,0,0]=3 181 B10R1.1 ON=CC1=CC=C(O)C=C1 H45817 [0,1,0,0,0,0|2,0,1]=4 182 B10R1.1 O\N=C\C1=CC=C(F)C=C1 F64667 [0,1,0,0,0,0|2,0,1]=4 183 B10R1.1 [Mg+]CCC1=CC=C(Cl)C=C1 C31726 [0,1,0,0,0,0|1,0,0]=2 184 B10R1.4 CC1=C(CC#N)C=CC=C1 T69238 [0,1,0,0,0,0|0,0,2]=3 185 B10R1.4 CC1=C(CCO)C=CC=C1 T50264 [0,1,0,0,0,0|1,0,0]=2 186 B10R1.4 CC1=C(N=C=S)C=CC=C1 M60893 [0,1,0,0,0,0|2,0,1]=4 187 B10R1.4 CCOC1=C(I)C=CC=N1 E46225 [0,1,0,0,0,0|3,0,0]=4 188 B10R1.4 CCOC1=C(N)C=CN=C1 E26317 [0,1,0,0,0,0|3,0,0]=4 189 B10R1.4 CCOC1=C(N)C=NC=C1 E38360 [0,1,0,0,0,0|3,0,0]=4 190 B10R1.4 CCOC1=C([Mg+])C=CC=C1 E31764 [0,1,0,0,0,0|2,0,0]=3 191 B10R1.4 CCOC1=CC=CNC1=O E46398 [0,1,0,0,0,0|3,0,0]=4 192 B10R1.4 CCSC1=C(N)C=CC=C1 E46939 [0,1,0,0,0,0|2,0,0]=3 193 B10R1.4 CNCC1=C(Br)C=CC=C1 B46737 [0,1,0,0,0,0|2,0,0]=3 194 B10R1.4 CNCC1=C(C)C=CC=C1 M50314 [0,1,0,0,0,0|2,0,0]=3 195 B10R1.4 CNCC1=C(Cl)C=CC=C1 C46748 [0,1,0,0,0,0|2,0,0]=3 196 B10R1.4 CNCC1=C(F)C=CC=C1 F67727 [0,1,0,0,0,0|2,0,0]=3 197 B10R1.4 CNCC1=C(F)C=CC=N1 F14667 [0,1,0,0,0,0|3,0,0]=4 198 B10R1.4 COCC1=C(O)C=CC=C1 M69473 [0,1,0,0,0,0|2,0,0]=3 199 B10R1.4 N#CCC1=C(Br)C=CC=C1 B69236 [0,1,0,0,0,0|0,0,2]=3 200 B10R1.4 N#CCC1=C(Br)C=CC=N1 B14101 [0,1,0,0,0,0|1,0,2]=4 201 B10R1.4 N#CCC1=C(Br)C=NC=C1 B44760 [0,1,0,0,0,0|1,0,2]=4 202 B10R1.4 N#CCC1=C(Cl)C=CC=C1 C39466 [0,1,0,0,0,0|0,0,2]=3 203 B10R1.4 N#CCC1=C(F)C=CC=C1 F68569 [0,1,0,0,0,0|0,0,2]=3 204 B10R1.4 N#CCC1=C(F)C=CC=N1 F44800 [0,1,0,0,0,0|1,0,2]=4 205 B10R1.4 N#CCC1=C(I)C=CC=C1 K47987 [0,1,0,0,0,0|0,0,2]=3 206 B10R1.4 N#CCC1=C(N)C=CC=C1 A48786 [0,1,0,0,0,0|0,0,2]=3 207 B10R1.4 N#CCC1=CC=CN=C1Br B44759 [0,1,0,0,0,0|1,0,2]=4 208 B10R1.4 N#CCC1=CC=CN=C1Cl C0579 [0,1,0,0,0,0|1,0,2]=4 209 B10R1.4 N#CCC1=NC=CC=C1N A37153 [0,1,0,0,0,0|1,0,2]=4 210 B10R1.4 NC1=C(CCO)C=CC=C1 A46894 [0,1,0,0,0,0|1,0,0]=2 211 B10R1.4 NCCC1=C(Br)C=CC=C1 B68553 [0,1,0,0,0,0|0,0,0]=1 212 B10R1.4 NCCC1=C(Br)C=CC=N1 B14102 [0,1,0,0,0,0|1,0,0]=2 213 B10R1.4 NCCC1=C(Cl)C=CC=C1 C69206 [0,1,0,0,0,0|0,0,0]=1 214 B10R1.4 NCCC1=C(O)C=CC=C1 A46892 [0,1,0,0,0,0|0,0,0]=1 215 B10R1.4 NNCC1=C(Br)C=CC=C1 B10205 [0,1,0,0,0,0|1,0,0]=2 216 B10R1.4 NNCC1=C(Br)C=CC=C1 B7428 [0,1,0,0,0,0|1,0,0]=2 217 B10R1.4 NNCC1=C(Cl)C=CC=C1 C10207 [0,1,0,0,0,0|1,0,0]=2 218 B10R1.4 NNCC1=C(F)C=CC=C1 F0092 [0,1,0,0,0,0|1,0,0]=2 219 B10R1.4 NNCC1=C(F)C=CC=C1 F7427 [0,1,0,0,0,0|1,0,0]=2 220 B10R1.4 NOCC1=C(F)C=CC=C1 F63413 [0,1,0,0,0,0|1,0,0]=2 221 B10R1.4 OCCC1=C(Br)C=CC=C1 B16411 [0,1,0,0,0,0|1,0,0]=2 222 B10R1.4 OCCC1=C(Cl)C=CC=C1 C49443 [0,1,0,0,0,0|1,0,0]=2 223 B10R1.4 OCCC1=C(F)C=CC=C1 F49457 [0,1,0,0,0,0|1,0,0]=2 224 B10R1.4 OCCC1=C(I)C=CC=C1 K49472 [0,1,0,0,0,0|1,0,0]=2 225 B10R1.10 BrCCC1=CC=CC(Br)=C1 B23535 [0,1,0,0,0,0|1,0,0]=2 226 B10R1.10 CC1=CC=CC(CC#N)=C1 M67706 [0,1,0,0,0,0|0,0,2]=3 227 B10R1.10 CC1=CC=CC(CCCl)=C1 C49969 [0,1,0,0,0,0|1,0,0]=2 228 B10R1.10 CC1=NC=CC(CC#N)=C1 M29959 [0,1,0,0,0,0|1,0,2]=4 229 B10R1.10 CCNC1=NC=CC(N)=C1 A43751 [0,1,0,0,0,0|3,0,0]=4 230 B10R1.10 CCOC1=CC(Br)=CN=C1 B46155 [0,1,0,0,0,0|3,0,0]=4 231 B10R1.10 CCOC1=CC(Br)=NC=C1 B21763 [0,1,0,0,0,0|3,0,0]=4 232 B10R1.10 CCOC1=CC(Cl)=NC=C1 C46183 [0,1,0,0,0,0|3,0,0]=4 233 B10R1.10 CCOC1=CC(F)=NC=C1 E46208 [0,1,0,0,0,0|3,0,0]=4 234 B10R1.10 CCOC1=CC(N)=CC=C1 E64076 [0,1,0,0,0,0|2,0,0]=3 235 B10R1.10 CCOC1=CC(N)=NC=C1 A43626 [0,1,0,0,0,0|3,0,0]=4 236 B10R1.10 CCOC1=CC=CC(Br)=C1 B49423 [0,1,0,0,0,0|2,0,0]=3 237 B10R1.10 CCOC1=CC=CC(F)=C1 E49455 [0,1,0,0,0,0|2,0,0]=3 238 B10R1.10 CCOC1=CC=CC([Mg+])=C1 E31766 [0,1,0,0,0,0|2,0,0]=3 239 B10R1.10 CCOC1=CN=CC(N)=C1 E36780 [0,1,0,0,0,0|3,0,0]=4 240 B10R1.10 CCOC1=NC=CC(Br)=C1 B24368 [0,1,0,0,0,0|3,0,0]=4 241 B10R1.10 CCOC1=NC=CC(N)=C1 A43627 [0,1,0,0,0,0|3,0,0]=4 242 B10R1.10 CCSC1=CC=CC(Br)=C1 B3190 [0,1,0,0,0,0|2,0,0]=3 243 B10R1.10 CNCC1=CC(Br)=CN=C1 B46290 [0,1,0,0,0,0|3,0,0]=4 244 B10R1.10 CNCC1=CC(C)=CC=C1 M50313 [0,1,0,0,0,0|2,0,0]=3 245 B10R1.10 CNCC1=CC(N)=CC=C1 M46965 [0,1,0,0,0,0|2,0,0]=3 246 B10R1.10 CNCC1=CC=CC(Cl)=C1 C46754 [0,1,0,0,0,0|2,0,0]=3 247 B10R1.10 CNCC1=NC=CC(Cl)=C1 C46305 [0,1,0,0,0,0|3,0,0]=4 248 B10R1.10 ClC1=CC=CC(CCBr)=C1 C48759 [0,1,0,0,0,0|1,0,0]=2 249 B10R1.10 N#CCC1=CC(Br)=CN=C1 B10466 [0,1,0,0,0,0|1,0,2]=4 250 B10R1.10 N#CCC1=CC(F)=CN=C1 F12036 [0,1,0,0,0,0|1,0,2]=4 251 B10R1.10 N#CCC1=CC(N)=CC=C1 A48787 [0,1,0,0,0,0|0,0,2]=3 252 B10R1.10 N#CCC1=CC=CC(Br)=C1 B23025 [0,1,0,0,0,0|0,0,2]=3 253 B10R1.10 N#CCC1=CC=CC(Cl)=C1 C69079 [0,1,0,0,0,0|0,0,2]=3 254 B10R1.10 N#CCC1=CC=CC(F)=C1 F39467 [0,1,0,0,0,0|0,0,2]=3 255 B10R1.10 N#CCC1=CC=CC(O)=C1 H48451 [0,1,0,0,0,0|0,0,2]=3 256 B10R1.10 N#CCC1=NC=CC(F)=C1 F44801 [0,1,0,0,0,0|1,0,2]=4 257 B10R1.10 NCCC1=CC(=O)NC=C1 A46457 [0,1,0,0,0,0|1,0,0]=2 258 B10R1.10 NCCC1=CC=CC(Br)=C1 B46722 [0,1,0,0,0,0|0,0,0]=1 259 B10R1.10 NCCC1=CC=CC(Br)=C1 B68552 [0,1,0,0,0,0|0,0,0]=1 260 B10R1.10 NCCC1=CC=CC(Cl)=C1 C10742 [0,1,0,0,0,0|0,0,0]=1 261 B10R1.10 NCCC1=CC=CC(F)=C1 F38570 [0,1,0,0,0,0|0,0,0]=1 262 B10R1.10 NCCC1=CC=CC(F)=C1 F46762 [0,1,0,0,0,0|0,0,0]=1 263 B10R1.10 NCCC1=CC=CC(O)=C1 A49522 [0,1,0,0,0,0|0,0,0]=1 264 B10R1.10 NNCC1=CC(Br)=CN=C1 B12725 [0,1,0,0,0,0|2,0,0]=3 265 B10R1.10 NNCC1=CC=CC(Br)=C1 B12216 [0,1,0,0,0,0|1,0,0]=2 266 B10R1.10 NNCC1=CC=CC(Cl)=C1 C12217 [0,1,0,0,0,0|1,0,0]=2 267 B10R1.10 NNCC1=CC=CC(Cl)=C1 C46306 [0,1,0,0,0,0|1,0,0]=2 268 B10R1.10 NNCC1=CC=CC(F)=C1 F0091 [0,1,0,0,0,0|1,0,0]=2 269 B10R1.10 NNCC1=CC=CC(F)=C1 F10204 [0,1,0,0,0,0|1,0,0]=2 270 B10R1.10 OCCC1=CC=CC(Br)=C1 B22812 [0,1,0,0,0,0|1,0,0]=2 271 B10R1.10 OCCC1=CC=CC(Br)=N1 B46160 [0,1,0,0,0,0|2,0,0]=3 272 B10R1.10 OCCC1=CC=CC(Cl)=C1 C49444 [0,1,0,0,0,0|1,0,0]=2 273 B10R1.10 OCCC1=CC=CC(F)=C1 F49458 [0,1,0,0,0,0|1,0,0]=2 274 B10R1.15 C#C[C@@H](C)C1=CC=CC=C1 B64382 [0,1,0,0,0,0|1,0,1]=3 275 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 P68581 [0,1,0,0,0,0|1,0,1]=3 276 B10R1.15 C=C(CC)C1=CC=CC=C1 B52673 [0,1,0,0,0,0|1,0,1]=3 277 B10R1.15 C=C[S@](=O)C1=CC=CC=C1 V62500 [0,1,0,0,0,0|2,0,1]=4 278 B10R1.15 CCC(=O)C1=CN=CC=C1 P49262 [0,1,0,0,0,0|2,0,1]=4 279 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 P39004 [0,1,0,0,0,0|1,0,0]=2 280 B10R1.15 CC[C@@H](N)C1=NC=CC=C1 P49666 [0,1,0,0,0,0|2,0,0]=3 281 B10R1.15 CC[C@H](N)C1=CC=CN=C1 P46964 [0,1,0,0,0,0|2,0,0]=3 282 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P14590 [0,1,0,0,0,0|3,0,0]=4 283 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P27649 [0,1,0,0,0,0|3,0,0]=4 284 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M50312 [0,1,0,0,0,0|2,0,0]=3 285 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M52164 [0,1,0,0,0,0|2,0,0]=3 286 B10R1.15 CO[S@@](=O)C1=CC=CC=C1 M46243 [0,1,0,0,0,0|3,0,0]=4 287 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P37912 [0,1,0,0,0,0|0,0,0]=1 288 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P39584 [0,1,0,0,0,0|0,0,0]=1 289 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P60945 [0,1,0,0,0,0|0,0,0]=1 290 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 P10845 [0,1,0,0,0,0|2,0,0]=3 291 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 B48763 [0,1,0,0,0,0|1,0,0]=2 292 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 A67914 [0,1,0,0,0,0|0,0,0]=1 293 B10R1.15 NC[C@@H](O)C1=CN=CC=C1 A46466 [0,1,0,0,0,0|1,0,0]=2 294 B10R1.15 NC[C@H](N)C1=CC=CC=C1 P49663 [0,1,0,0,0,0|0,0,0]=1 295 B10R1.15 NC[C@H](O)C1=NC=CC=C1 A46589 [0,1,0,0,0,0|1,0,0]=2 296 B10R1.15 NN=C(N)C1=NC=CC=C1 P37720 [0,1,0,0,0,0|2,0,1]=4 297 B10R1.15 NNC(=O)C1=CC=CC=C1 B69029 [0,1,0,0,0,0|1,0,1]=3 298 B10R1.15 NNC(=O)C1=NC=CC=C1 P43090 [0,1,0,0,0,0|2,0,1]=4 299 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 A67686 [0,1,0,0,0,0|1,0,0]=2 300 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 P39434 [0,1,0,0,0,0|1,0,0]=2 301 B10R1.15 N[C@H](CO)C1=CC=CC=C1 A37812 [0,1,0,0,0,0|1,0,0]=2 302 B10R1.15 O=C(CBr)C1=CN=CC=C1 B68250 [0,1,0,0,0,0|2,0,1]=4 303 B10R1.15 O=C(CBr)C1=NC=CC=C1 B45477 [0,1,0,0,0,0|2,0,1]=4 304 B10R1.15 O=C(CCl)C1=CN=CC=C1 C45489 [0,1,0,0,0,0|2,0,1]=4 305 B10R1.15 O=C(CO)C1=CC=CC=C1 H67472 [0,1,0,0,0,0|1,0,1]=3 306 B10R1.15 O=CC(=O)C1=CC=CC=C1 P48113 [0,1,0,0,0,0|1,0,2]=4 307 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 P46829 [0,1,0,0,0,0|1,0,0]=2 308 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P46828 [0,1,0,0,0,0|1,0,0]=2 309 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 C49445 [0,1,0,0,0,0|1,0,0]=2 310 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [0,1,0,0,0,0|1,0,0]=2 311 B10R1.17 BrCCOC1=CC=CC=C1 B68804 [0,1,0,0,0,0|1,0,0]=2 312 B10R1.17 C#CCCC1=CC=CC=C1 P62501 [0,1,0,0,0,0|1,0,0]=2 313 B10R1.17 C=CCOC1=CC=CC=C1 A68573 [0,1,0,0,0,0|1,0,1]=3 314 B10R1.17 C=COCC1=CC=CC=C1 B26636 [0,1,0,0,0,0|1,0,1]=3 315 B10R1.17 CCCCC1=CC=NC=C1 B50306 [0,1,0,0,0,0|2,0,0]=3 316 B10R1.17 CCCC[N+]1=CC=CC=C1 B52268 [0,1,0,0,0,0|2,0,0]=3 317 B10R1.17 CCCOC1=CC=CC=C1 P50263 [0,1,0,0,0,0|1,0,0]=2 318 B10R1.17 CCNCC1=CC=CC=C1 B39547 [0,1,0,0,0,0|1,0,0]=2 319 B10R1.17 CCNCC1=NC=CC=C1 P46970 [0,1,0,0,0,0|2,0,0]=3 320 B10R1.17 CCOCC1=CC=CC=C1 E50267 [0,1,0,0,0,0|1,0,0]=2 321 B10R1.17 CNCCC1=CC=CN=C1 M46974 [0,1,0,0,0,0|1,0,0]=2 322 B10R1.17 ClCC#CC1=CC=CC=C1 C51043 [0,1,0,0,0,0|1,0,1]=3 323 B10R1.17 ClCCOC1=CC=CC=C1 C39521 [0,1,0,0,0,0|1,0,0]=2 324 B10R1.17 ClCCSC1=CC=CC=C1 C49161 [0,1,0,0,0,0|1,0,0]=2 325 B10R1.17 N#CCOC1=CC=CC=C1 P48439 [0,1,0,0,0,0|0,0,2]=3 326 B10R1.17 NCCCC1=CC=NC=C1 P46966 [0,1,0,0,0,0|1,0,0]=2 327 B10R1.17 NCCNC1=CC=CC=C1 P61733 [0,1,0,0,0,0|0,0,0]=1 328 B10R1.17 NCCNC1=NC=CC=N1 P41447 [0,1,0,0,0,0|2,0,0]=3 329 B10R1.17 NCCOC1=CC=CC=C1 P46889 [0,1,0,0,0,0|0,0,0]=1 330 B10R1.17 NCCOC1=CC=NC=C1 P46588 [0,1,0,0,0,0|1,0,0]=2 331 B10R1.17 NCCOC1=NC=CC=C1 P43633 [0,1,0,0,0,0|1,0,0]=2 332 B10R1.17 O=CC#CC1=CC=CC=C1 P68152 [0,1,0,0,0,0|1,0,2]=4 333 B10R1.17 OCC#CC1=CC=CC=C1 P51545 [0,1,0,0,0,0|1,0,1]=3 334 B10R1.17 OCCCC1=CC=NC=C1 P46905 [0,1,0,0,0,0|2,0,0]=3 335 B10R1.17 OCCCC1=NC=CC=C1 P62447 [0,1,0,0,0,0|2,0,0]=3 336 B10R1.17 OCCCC1=NC=CC=C1 P7829 [0,1,0,0,0,0|2,0,0]=3 337 B10R1.17 OCCSC1=NC=CC=C1 P46439 [0,1,0,0,0,0|2,0,0]=3 338 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [0,1,0,0,0,0|1,0,0]=2 339 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 B9123 [0,1,0,0,0,0|1,0,1]=3 340 B10R1.17 [N-]=[N+]=NCC1=NC=CC=C1 A8446 [0,1,0,0,0,0|2,0,1]=4 341 B10R1.18 CC(=O)CC1=CC=NC=C1 P49256 [0,1,0,0,0,0|2,0,1]=4 342 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [0,1,0,0,0,0|2,0,1]=4 343 B10R1.18 CC(=O)NC1=CC=CC=C1 A60649 [0,1,0,0,0,0|2,0,1]=4 344 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [0,1,0,0,0,0|1,0,2]=4 345 B10R1.18 CC(C)NC1=CC=CC=C1 P69278 [0,1,0,0,0,0|2,0,0]=3 346 B10R1.18 CC(C)OC1=CN=CC=C1 P46891 [0,1,0,0,0,0|3,0,0]=4 347 B10R1.18 CC(C)OC1=NC=CC=C1 P46890 [0,1,0,0,0,0|3,0,0]=4 348 B10R1.18 FC(F)OC1=CC=CC=C1 D45605 [0,1,0,0,0,0|2,0,0]=3 349 B10R1.18 N=C(N)CC1=CC=CC=C1 P22633 [0,1,0,0,0,0|0,0,1]=2 350 B10R1.18 N=C(N)NC1=CC=CC=C1 P49691 [0,1,0,0,0,0|1,0,1]=3 351 B10R1.18 NC(=O)CC1=CC=CC=C1 P69172 [0,1,0,0,0,0|0,0,1]=2 352 B10R1.18 NC(=O)CC1=CN=CC=C1 P45977 [0,1,0,0,0,0|1,0,1]=3 353 B10R1.18 NC(=O)CC1=NC=CC=N1 P43092 [0,1,0,0,0,0|2,0,1]=4 354 B10R1.18 NC(=O)OC1=CC=CC=C1 P45812 [0,1,0,0,0,0|1,0,1]=3 355 B10R1.18 NC(=S)NC1=NC=CC=C1 P43125 [0,1,0,0,0,0|2,0,1]=4 356 B10R1.18 O=C(O)CC1=CC=NC=C1 P46551 [0,1,0,0,0,0|2,0,1]=4 357 B10R1.18 O=C(O)CC1=CN=CC=C1 P39426 [0,1,0,0,0,0|2,0,1]=4 358 B10R1.18 O=C(O)CC1=NC=CC=C1 P18563 [0,1,0,0,0,0|2,0,1]=4 359 B10R1.18 O=C(O)CC1=NC=CC=C1 P38331 [0,1,0,0,0,0|2,0,1]=4 360 B10R1.18 S=C(Cl)OC1=CC=CC=C1 P37341 [0,1,0,0,0,0|2,0,1]=4 361 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 P68601 [0,0,0,1,0,0|1,0,0]=2 362 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 P68362 [0,0,0,1,0,0|1,0,0]=2 363 B10R2.6 C1=CN=C(C2CC2)N=C1 C14647 [0,0,0,1,0,0|3,0,0]=4 364 B10R2.7 C1=CC2=C(C=C1)CNC2 D64953 [0,0,0,1,0,0|2,0,0]=3 365 B10R2.7 C1=CC2=C(C=C1)NC=N2 B69282 [0,0,0,1,0,0|1,0,1]=3 366 B10R2.7 C1=CC2=C(C=C1)NN=C2 I14459 [0,0,0,1,0,0|1,0,1]=3 367 B10R2.7 C1=CC2=C(C=C1)NN=N2 B38421 [0,0,0,1,0,0|2,0,0]=3 368 B10R2.7 C1=CC2=C(C=C1)OC=N2 B39360 [0,0,0,1,0,0|1,0,2]=4 369 B10R2.7 C1=CC2=C(C=C1)OCC2 D65079 [0,0,0,1,0,0|1,0,0]=2 370 B10R2.7 C1=CC2=C(C=C1)OCO2 B69389 [0,0,0,1,0,0|2,0,0]=3 371 B10R2.7 C1=CC2=C(C=C1)SC=N2 B68567 [0,0,0,1,0,0|1,0,2]=4 372 B10R2.7 C1=CC2=C(C=C1)SCS2 B61366 [0,0,0,1,0,0|2,0,0]=3 373 B10R2.7 C1=CC2=C(C=CN2)C=N1 A3184 [0,0,0,1,0,0|1,0,2]=4 374 B10R2.7 C1=CC2=C(C=N1)C=NN2 P0513 [0,0,0,1,0,0|2,0,1]=4 375 B10R2.7 C1=CC2=C(C=N1)CNC2 D3869 [0,0,0,1,0,0|3,0,0]=4 376 B10R2.7 C1=CC2=C(C=N1)COC2 D46549 [0,0,0,1,0,0|3,0,0]=4 377 B10R2.7 C1=CC2=C(C=N1)N=CN2 I10244 [0,0,0,1,0,0|2,0,1]=4 378 B10R2.7 C1=CC2=C(C=N1)NC=C2 A2957 [0,0,0,1,0,0|1,0,2]=4 379 B10R2.7 C1=CC2=C(C=N1)NCC2 D36872 [0,0,0,1,0,0|1,0,0]=2 380 B10R2.7 C1=CC2=C(C=N1)NCC2 D46553 [0,0,0,1,0,0|1,0,0]=2 381 B10R2.7 C1=CC2=C(C=N1)NN=C2 P9749 [0,0,0,1,0,0|2,0,1]=4 382 B10R2.7 C1=CC2=C(C=N1)NN=N2 T40817 [0,0,0,1,0,0|3,0,0]=4 383 B10R2.7 C1=CC2=NSN=C2C=C1 B69028 [0,0,0,1,0,0|2,0,1]=4 384 B10R2.7 C1=CN=C2C=CNC2=C1 A2958 [0,0,0,1,0,0|1,0,2]=4 385 B10R2.7 C1=CN=C2C=NNC2=C1 P0514 [0,0,0,1,0,0|2,0,1]=4 386 B10R2.7 C1=CN=C2CCCC2=C1 C67437 [0,0,0,1,0,0|2,0,0]=3 387 B10R2.7 C1=CN=C2CNCC2=C1 D12180 [0,0,0,1,0,0|3,0,0]=4 388 B10R2.7 C1=CN=C2CNCC2=C1 D3602 [0,0,0,1,0,0|3,0,0]=4 389 B10R2.7 C1=CN=C2N=NNC2=C1 T40816 [0,0,0,1,0,0|3,0,0]=4 390 B10R2.7 C1=CN=C2NC=CC2=C1 A4765 [0,0,0,1,0,0|1,0,2]=4 391 B10R2.7 C1=CN=C2NCCC2=C1 D0150 [0,0,0,1,0,0|1,0,0]=2 392 B10R2.7 C1=CN=C2NCCC2=C1 D65478 [0,0,0,1,0,0|1,0,0]=2 393 B10R2.7 C1=CN=C2NN=CC2=C1 P6130 [0,0,0,1,0,0|2,0,1]=4 394 B10R2.320 Br[C@H]1CC2=C1C=CC=C2 B68954 [0,0,0,1,0,0|1,0,0]=2 395 B10R2.320 O=C1CC2=C1C=CC=C2 B36727 [0,0,0,1,0,0|1,0,1]=3 396 B8R1.8 CCCC1=CC=CS1 P43744 [0,0,0,0,1,0|2,0,0]=3 397 B8R1.8 CCCC1=NC=CN1 P68616 [0,0,0,0,1,0|3,0,0]=4 398 B8R1.8 CCCC1=NC=CS1 P43394 [0,0,0,0,1,0|3,0,0]=4 399 B8R1.8 CNCC1=CC=CS1 M43398 [0,0,0,0,1,0|3,0,0]=4 400 B8R1.8 CNCC1=CSC=C1 M43396 [0,0,0,0,1,0|3,0,0]=4 401 B8R1.8 ClCCN1C=CN=C1 C41131 [0,0,0,0,1,0|3,0,0]=4 402 B8R1.8 N#CCC1=CC=CS1 T39260 [0,0,0,0,1,0|1,0,2]=4 403 B8R1.8 N#CCC1=CSC=C1 T12833 [0,0,0,0,1,0|1,0,2]=4 404 B8R1.8 NCCC1=CC=CS1 T12818 [0,0,0,0,1,0|1,0,0]=2 405 B8R1.8 NCCC1=CN=CS1 T41396 [0,0,0,0,1,0|2,0,0]=3 406 B8R1.8 NCCC1=CSC=C1 T1049 [0,0,0,0,1,0|1,0,0]=2 407 B8R1.8 NCCC1=CSC=C1 T10491 [0,0,0,0,1,0|1,0,0]=2 408 B8R1.8 NCCC1=NC=CN1 K41400 [0,0,0,0,1,0|2,0,0]=3 409 B8R1.8 NCCC1=NN=CS1 T11221 [0,0,0,0,1,0|3,0,0]=4 410 B8R1.8 NCCC1=NN=CS1 T13923 [0,0,0,0,1,0|3,0,0]=4 411 B8R1.8 NCCN1C=CC=C1 P41427 [0,0,0,0,1,0|1,0,0]=2 412 B8R1.8 NCCN1C=CN=C1 K41369 [0,0,0,0,1,0|2,0,0]=3 413 B8R1.8 NCCN1C=CN=C1 K41399 [0,0,0,0,1,0|2,0,0]=3 414 B8R1.8 NCCN1C=NC=N1 T60532 [0,0,0,0,1,0|3,0,0]=4 415 B8R1.8 NNCC1=CC=CS1 H13973 [0,0,0,0,1,0|2,0,0]=3 416 B8R1.8 NNCC1=CSC=C1 H13972 [0,0,0,0,1,0|2,0,0]=3 417 B8R1.8 OCCC1=CC=CS1 T12817 [0,0,0,0,1,0|2,0,0]=3 418 B8R1.8 OCCC1=CN=CN1 K41362 [0,0,0,0,1,0|3,0,0]=4 419 B8R1.8 OCCC1=CNC=N1 I10449 [0,0,0,0,1,0|3,0,0]=4 420 B8R1.8 OCCC1=CNN=C1 P41192 [0,0,0,0,1,0|3,0,0]=4 421 B8R1.8 OCCC1=CSC=C1 T12832 [0,0,0,0,1,0|2,0,0]=3 422 B8R1.8 OCCN1C=CC=N1 P41188 [0,0,0,0,1,0|3,0,0]=4 423 B8R1.8 OCCN1C=CN=C1 K41193 [0,0,0,0,1,0|3,0,0]=4 424 B7R1.3 BrC1=CC=NC=C1 B2747 [2,0,0,0,0,0|2,0,0]=4 425 B7R1.3 BrC1=CC=NC=C1 B65041 [2,0,0,0,0,0|2,0,0]=4 426 B7R1.3 BrC1=CN=CC=C1 B2746 [2,0,0,0,0,0|2,0,0]=4 427 B7R1.3 CC1=CC=CN=N1 M0216 [2,0,0,0,0,0|2,0,0]=4 428 B7R1.3 CC1=CN=CN=C1 M41018 [2,0,0,0,0,0|2,0,0]=4 429 B7R1.3 CC1=CN=NC=C1 M3532 [2,0,0,0,0,0|2,0,0]=4 430 B7R1.3 CC1=NC=CC=N1 M68916 [2,0,0,0,0,0|2,0,0]=4 431 B7R1.3 CC1=NC=CN=C1 M61917 [2,0,0,0,0,0|2,0,0]=4 432 B7R1.3 CC1=NC=NC=C1 M7491 [2,0,0,0,0,0|2,0,0]=4 433 B7R1.3 C[N+]1=CC=CC=C1 M38728 [2,0,0,0,0,0|1,0,0]=3 434 B7R1.3 ClC1=CC=NC=C1 C39170 [2,0,0,0,0,0|2,0,0]=4 435 B7R1.3 ClC1=CN=CC=C1 C68367 [2,0,0,0,0,0|2,0,0]=4 436 B7R1.3 FC1=CC=NC=C1 F2970 [2,0,0,0,0,0|2,0,0]=4 437 B7R1.3 FC1=CN=CC=C1 F1892 [2,0,0,0,0,0|2,0,0]=4 438 B7R1.3 FC1=NC=CC=C1 F4862 [2,0,0,0,0,0|2,0,0]=4 439 B7R1.3 IC1=CC=CC=C1 I38419 [2,0,0,0,0,0|1,0,0]=3 440 B7R1.3 IC1=CC=NC=C1 I3870 [2,0,0,0,0,0|2,0,0]=4 441 B7R1.3 IC1=CN=CC=C1 I16635 [2,0,0,0,0,0|2,0,0]=4 442 B7R1.3 IC1=NC=CC=C1 K67594 [2,0,0,0,0,0|2,0,0]=4 443 B7R1.3 NC1=CC=CN=N1 A6039 [2,0,0,0,0,0|2,0,0]=4 444 B7R1.3 NC1=CN=CN=C1 A5265 [2,0,0,0,0,0|2,0,0]=4 445 B7R1.3 NC1=CN=NC=C1 A3533 [2,0,0,0,0,0|2,0,0]=4 446 B7R1.3 NC1=CN=NC=C1 A7237 [2,0,0,0,0,0|2,0,0]=4 447 B7R1.3 NC1=NC=CC=C1 A23973 [2,0,0,0,0,0|1,0,0]=3 448 B7R1.3 NC1=NC=CN=C1 A15535 [2,0,0,0,0,0|2,0,0]=4 449 B7R1.3 NC1=NC=NC=C1 A12258 [2,0,0,0,0,0|2,0,0]=4 450 B7R1.3 O=C1C=COC=C1 P40862 [2,0,0,0,0,0|2,0,0]=4 451 B7R1.3 OC1=CC=NC=C1 H10331 [2,0,0,0,0,0|2,0,0]=4 452 B7R1.3 OC1=NC=CC=C1 P61113 [2,0,0,0,0,0|2,0,0]=4 453 B7R1.3 [Mg+]C1=CC=CC=C1 P31728 [2,0,0,0,0,0|1,0,0]=3 454 B7R1.3 [Mg+]C1=CN=CC=C1 P8350 [2,0,0,0,0,0|2,0,0]=4 455 B7R1.3 [Mg+]C1=NC=CC=C1 P8351 [2,0,0,0,0,0|2,0,0]=4 456 B9R1.1 BrCC1=CC=C(I)C=C1 B45171 [1,1,0,0,0,0|1,0,0]=3 457 B9R1.1 BrCC1=NC=C(Br)C=C1 B42521 [1,1,0,0,0,0|2,0,0]=4 458 B9R1.1 C#CC1=CC=C(Br)C=C1 B47528 [1,1,0,0,0,0|0,0,2]=4 459 B9R1.1 C#CC1=CC=C(C)C=C1 E68609 [1,1,0,0,0,0|0,0,2]=4 460 B9R1.1 C#CC1=CC=C(Cl)C=C1 C4938 [1,1,0,0,0,0|0,0,2]=4 461 B9R1.1 C#CC1=CC=C(F)C=C1 F2891 [1,1,0,0,0,0|0,0,2]=4 462 B9R1.1 C#CC1=CC=C(N)C=C1 E37919 [1,1,0,0,0,0|0,0,2]=4 463 B9R1.1 C=CC1=CC=C(Br)C=C1 B68124 [1,1,0,0,0,0|0,0,2]=4 464 B9R1.1 C=CC1=CC=C(O)C=C1 V67697 [1,1,0,0,0,0|0,0,2]=4 465 B9R1.1 CC1=CC=C(C=O)C=C1 M68600 [1,1,0,0,0,0|1,0,1]=4 466 B9R1.1 CC1=CC=C(CN)C=C1 M69544 [1,1,0,0,0,0|0,0,0]=2 467 B9R1.1 CC1=CC=C(CN)N=N1 M0158 [1,1,0,0,0,0|2,0,0]=4 468 B9R1.1 CC1=CC=C(CN)N=N1 M27037 [1,1,0,0,0,0|2,0,0]=4 469 B9R1.1 CC1=CC=C(CO)C=C1 T37852 [1,1,0,0,0,0|1,0,0]=3 470 B9R1.1 CC1=CC=C(NN)C=C1 T68855 [1,1,0,0,0,0|1,0,0]=3 471 B9R1.1 CC1=CN=C(CCl)C=C1 C46107 [1,1,0,0,0,0|2,0,0]=4 472 B9R1.1 CC1=CN=C(CN)C=C1 M43622 [1,1,0,0,0,0|1,0,0]=3 473 B9R1.1 CC1=CN=C(CN)C=C1 M46461 [1,1,0,0,0,0|1,0,0]=3 474 B9R1.1 CC1=CN=C(CN)C=N1 A3139 [1,1,0,0,0,0|2,0,0]=4 475 B9R1.1 CC1=CN=C(CN)N=C1 M11333 [1,1,0,0,0,0|2,0,0]=4 476 B9R1.1 CC1=CN=C(NN)C=C1 H63578 [1,1,0,0,0,0|2,0,0]=4 477 B9R1.1 CC1=NC=C(CBr)C=C1 B46089 [1,1,0,0,0,0|2,0,0]=4 478 B9R1.1 CC1=NC=C(CCl)C=C1 C46111 [1,1,0,0,0,0|2,0,0]=4 479 B9R1.1 CC1=NC=C(CN)C=C1 M0572 [1,1,0,0,0,0|1,0,0]=3 480 B9R1.1 CC1=NC=C(CN)C=N1 A1723 [1,1,0,0,0,0|2,0,0]=4 481 B9R1.1 CC1=NC=C(CO)C=C1 M15722 [1,1,0,0,0,0|2,0,0]=4 482 B9R1.1 CC1=NC=C(NN)C=C1 H14024 [1,1,0,0,0,0|2,0,0]=4 483 B9R1.1 CCC1=CC=C(Br)C=C1 B68945 [1,1,0,0,0,0|0,0,0]=2 484 B9R1.1 CCC1=CC=C(Cl)C=C1 C49160 [1,1,0,0,0,0|0,0,0]=2 485 B9R1.1 CCC1=CC=C(I)C=C1 E49167 [1,1,0,0,0,0|0,0,0]=2 486 B9R1.1 CCC1=CC=C([Mg+])C=C1 E31741 [1,1,0,0,0,0|0,0,0]=2 487 B9R1.1 CCC1=CN=C(Cl)C=C1 C26331 [1,1,0,0,0,0|1,0,0]=3 488 B9R1.1 CCC1=CN=C(Cl)N=C1 E11897 [1,1,0,0,0,0|2,0,0]=4 489 B9R1.1 CCC1=CN=C(N)C=C1 E43600 [1,1,0,0,0,0|1,0,0]=3 490 B9R1.1 CCC1=CN=C(N)N=C1 E28664 [1,1,0,0,0,0|2,0,0]=4 491 B9R1.1 CCC1=NC=C(Br)C=C1 B1614 [1,1,0,0,0,0|1,0,0]=3 492 B9R1.1 CCC1=NC=C(Br)C=N1 B36933 [1,1,0,0,0,0|2,0,0]=4 493 B9R1.1 CCC1=NC=C(Cl)C=C1 C46096 [1,1,0,0,0,0|1,0,0]=3 494 B9R1.1 CCC1=NC=C(N)C=C1 E43602 [1,1,0,0,0,0|1,0,0]=3 495 B9R1.1 CCC1=NC=C(N)C=N1 A11320 [1,1,0,0,0,0|2,0,0]=4 496 B9R1.1 CNC1=CC=C(Br)C=C1 B61266 [1,1,0,0,0,0|1,0,0]=3 497 B9R1.1 CNC1=CC=C(C)C=C1 D39432 [1,1,0,0,0,0|1,0,0]=3 498 B9R1.1 CNC1=CC=C(I)C=C1 K46120 [1,1,0,0,0,0|1,0,0]=3 499 B9R1.1 CNC1=CC=C(N)C=C1 M69627 [1,1,0,0,0,0|1,0,0]=3 500 B9R1.1 CNC1=CN=C(C)C=C1 D43616 [1,1,0,0,0,0|2,0,0]=4 501 B9R1.1 CNC1=NC=C(Br)C=C1 B42975 [1,1,0,0,0,0|2,0,0]=4 502 B9R1.1 CNC1=NC=C(C)C=C1 D43614 [1,1,0,0,0,0|2,0,0]=4 503 B9R1.1 CNC1=NC=C(F)C=C1 F32100 [1,1,0,0,0,0|2,0,0]=4 504 B9R1.1 CNC1=NC=C(N)C=C1 M43342 [1,1,0,0,0,0|2,0,0]=4 505 B9R1.1 CNC1=NC=C(N)C=C1 M43545 [1,1,0,0,0,0|2,0,0]=4 506 B9R1.1 COC1=CC=C(S)C=C1 M46276 [1,1,0,0,0,0|1,0,0]=3 507 B9R1.1 COC1=CC=C([Mg+])C=C1 M31744 [1,1,0,0,0,0|1,0,0]=3 508 B9R1.1 COC1=CN=C(Br)C=C1 B5045 [1,1,0,0,0,0|2,0,0]=4 509 B9R1.1 COC1=CN=C(Cl)C=C1 C19386 [1,1,0,0,0,0|2,0,0]=4 510 B9R1.1 COC1=CN=C(F)C=C1 F42925 [1,1,0,0,0,0|2,0,0]=4 511 B9R1.1 COC1=CN=C(I)C=C1 I5931 [1,1,0,0,0,0|2,0,0]=4 512 B9R1.1 COC1=CN=C(N)C=C1 A10497 [1,1,0,0,0,0|2,0,0]=4 513 B9R1.1 COC1=NC=C(Br)C=C1 B9550 [1,1,0,0,0,0|2,0,0]=4 514 B9R1.1 COC1=NC=C(C)C=C1 M67554 [1,1,0,0,0,0|2,0,0]=4 515 B9R1.1 COC1=NC=C(Cl)C=C1 C42903 [1,1,0,0,0,0|2,0,0]=4 516 B9R1.1 COC1=NC=C(F)C=C1 F24011 [1,1,0,0,0,0|2,0,0]=4 517 B9R1.1 COC1=NC=C(I)C=C1 K42935 [1,1,0,0,0,0|2,0,0]=4 518 B9R1.1 COC1=NC=C(N)C=C1 A12692 [1,1,0,0,0,0|2,0,0]=4 519 B9R1.1 COC1=NC=C(O)C=C1 H43140 [1,1,0,0,0,0|2,0,0]=4 520 B9R1.1 CSC1=CC=C(I)C=C1 I38579 [1,1,0,0,0,0|1,0,0]=3 521 B9R1.1 CSC1=CC=C(O)C=C1 M67393 [1,1,0,0,0,0|1,0,0]=3 522 B9R1.1 CSC1=CC=C([Mg+])C=C1 M31771 [1,1,0,0,0,0|1,0,0]=3 523 B9R1.1 CSC1=CN=C(N)C=C1 A43262 [1,1,0,0,0,0|2,0,0]=4 524 B9R1.1 CSC1=NC=C(Br)C=C1 B2646 [1,1,0,0,0,0|2,0,0]=4 525 B9R1.1 ClC1=CC=C(CBr)C=C1 B45158 [1,1,0,0,0,0|1,0,0]=3 526 B9R1.1 ClC1=CN=C(CBr)C=C1 B42537 [1,1,0,0,0,0|2,0,0]=4 527 B9R1.1 ClCC1=CC=C(Br)C=C1 B45160 [1,1,0,0,0,0|1,0,0]=3 528 B9R1.1 ClCC1=CN=C(Br)C=C1 B42528 [1,1,0,0,0,0|2,0,0]=4 529 B9R1.1 ClCC1=CN=C(Br)C=C1 B42539 [1,1,0,0,0,0|2,0,0]=4 530 B9R1.1 ClCC1=NC=C(Br)C=C1 B42540 [1,1,0,0,0,0|2,0,0]=4 531 B9R1.1 ClCC1=NC=C(Br)C=C1 B61533 [1,1,0,0,0,0|2,0,0]=4 532 B9R1.1 ClCC1=NC=C(Cl)C=C1 C14676 [1,1,0,0,0,0|2,0,0]=4 533 B9R1.1 ClCC1=NC=C(Cl)C=C1 C42565 [1,1,0,0,0,0|2,0,0]=4 534 B9R1.1 FC1=CC=C(C[Mg+])C=C1 F6777 [1,1,0,0,0,0|1,0,0]=3 535 B9R1.1 FC1=NC=C(CBr)C=C1 B39061 [1,1,0,0,0,0|2,0,0]=4 536 B9R1.1 FC1=NC=C(CBr)C=C1 B7888 [1,1,0,0,0,0|2,0,0]=4 537 B9R1.1 FC1=NC=C(CCl)C=C1 C7887 [1,1,0,0,0,0|2,0,0]=4 538 B9R1.1 N#CC1=CC=C(Br)C=C1 B67636 [1,1,0,0,0,0|0,0,2]=4 539 B9R1.1 N#CC1=CC=C(Cl)C=C1 C37848 [1,1,0,0,0,0|0,0,2]=4 540 B9R1.1 N#CC1=CC=C(F)C=C1 F64969 [1,1,0,0,0,0|0,0,2]=4 541 B9R1.1 N#CC1=CC=C(I)C=C1 K44443 [1,1,0,0,0,0|0,0,2]=4 542 B9R1.1 N#CC1=CC=C(N)C=C1 A64955 [1,1,0,0,0,0|0,0,2]=4 543 B9R1.1 N#CC1=CC=C(O)C=C1 C64941 [1,1,0,0,0,0|0,0,2]=4 544 B9R1.1 N#CC1=CC=C(S)C=C1 M64870 [1,1,0,0,0,0|0,0,2]=4 545 B9R1.1 NC1=CC=C(CO)C=C1 A36619 [1,1,0,0,0,0|1,0,0]=3 546 B9R1.1 NC1=NC=C(CO)C=C1 A0345 [1,1,0,0,0,0|2,0,0]=4 547 B9R1.1 NCC1=CC=C(Br)C=C1 B36612 [1,1,0,0,0,0|0,0,0]=2 548 B9R1.1 NCC1=CC=C(Br)C=C1 B46090 [1,1,0,0,0,0|0,0,0]=2 549 B9R1.1 NCC1=CC=C(Cl)C=C1 C46099 [1,1,0,0,0,0|0,0,0]=2 550 B9R1.1 NCC1=CC=C(I)C=C1 I36689 [1,1,0,0,0,0|0,0,0]=2 551 B9R1.1 NCC1=CC=C(I)C=C1 K46123 [1,1,0,0,0,0|0,0,0]=2 552 B9R1.1 NCC1=CC=C(N)C=C1 A46581 [1,1,0,0,0,0|0,0,0]=2 553 B9R1.1 NCC1=CC=C(O)C=C1 A67587 [1,1,0,0,0,0|0,0,0]=2 554 B9R1.1 NCC1=CN=C(Br)C=C1 B42976 [1,1,0,0,0,0|1,0,0]=3 555 B9R1.1 NCC1=CN=C(Cl)C=C1 A0585 [1,1,0,0,0,0|1,0,0]=3 556 B9R1.1 NCC1=CN=C(Cl)N=C1 C7926 [1,1,0,0,0,0|2,0,0]=4 557 B9R1.1 NCC1=CN=C(F)C=C1 A13990 [1,1,0,0,0,0|1,0,0]=3 558 B9R1.1 NCC1=CNC(=O)C=C1 A1719 [1,1,0,0,0,0|1,0,0]=3 559 B9R1.1 NCC1=NC=C(Br)C=C1 B15775 [1,1,0,0,0,0|1,0,0]=3 560 B9R1.1 NCC1=NC=C(Br)C=C1 B42983 [1,1,0,0,0,0|1,0,0]=3 561 B9R1.1 NCC1=NC=C(Br)C=C1 B7021 [1,1,0,0,0,0|1,0,0]=3 562 B9R1.1 NCC1=NC=C(Br)C=N1 B11273 [1,1,0,0,0,0|2,0,0]=4 563 B9R1.1 NCC1=NC=C(Br)C=N1 B29572 [1,1,0,0,0,0|2,0,0]=4 564 B9R1.1 NCC1=NC=C(Br)C=N1 B41070 [1,1,0,0,0,0|2,0,0]=4 565 B9R1.1 NCC1=NC=C(Cl)C=C1 C43002 [1,1,0,0,0,0|1,0,0]=3 566 B9R1.1 NCC1=NC=C(Cl)C=C1 C43003 [1,1,0,0,0,0|1,0,0]=3 567 B9R1.1 NCC1=NC=C(F)C=N1 F14038 [1,1,0,0,0,0|2,0,0]=4 568 B9R1.1 NCC1=NC=C(F)C=N1 F29609 [1,1,0,0,0,0|2,0,0]=4 569 B9R1.1 NCC1=NC=C(N)C=C1 A36932 [1,1,0,0,0,0|1,0,0]=3 570 B9R1.1 NCC1=NN=C(Cl)C=C1 C36937 [1,1,0,0,0,0|2,0,0]=4 571 B9R1.1 NNC1=CC=C(Br)C=C1 B42962 [1,1,0,0,0,0|1,0,0]=3 572 B9R1.1 NNC1=CC=C(Br)C=C1 B42980 [1,1,0,0,0,0|1,0,0]=3 573 B9R1.1 NNC1=CC=C(Cl)C=C1 C61981 [1,1,0,0,0,0|1,0,0]=3 574 B9R1.1 NNC1=CC=C(Cl)C=C1 C68982 [1,1,0,0,0,0|1,0,0]=3 575 B9R1.1 NNC1=CC=C(F)C=C1 F25536 [1,1,0,0,0,0|1,0,0]=3 576 B9R1.1 NNC1=CC=C(I)C=C1 K43029 [1,1,0,0,0,0|1,0,0]=3 577 B9R1.1 NNC1=CN=C(Cl)C=C1 C41073 [1,1,0,0,0,0|2,0,0]=4 578 B9R1.1 NNC1=NC=C(Br)C=C1 B41060 [1,1,0,0,0,0|2,0,0]=4 579 B9R1.1 NNC1=NC=C(Cl)C=C1 C41075 [1,1,0,0,0,0|2,0,0]=4 580 B9R1.1 NNC1=NC=C(F)C=C1 F41395 [1,1,0,0,0,0|2,0,0]=4 581 B9R1.1 O=C1C=CC(CO)=CN1 H37111 [1,1,0,0,0,0|2,0,0]=4 582 B9R1.1 O=CC1=CC=C(Br)C=C1 B67400 [1,1,0,0,0,0|1,0,1]=4 583 B9R1.1 O=CC1=CC=C(Cl)C=C1 C37300 [1,1,0,0,0,0|1,0,1]=4 584 B9R1.1 O=CC1=CC=C(F)C=C1 F4631 [1,1,0,0,0,0|1,0,1]=4 585 B9R1.1 O=CC1=CC=C(I)C=C1 K20170 [1,1,0,0,0,0|1,0,1]=4 586 B9R1.1 OCC1=CC=C(Br)C=C1 B67585 [1,1,0,0,0,0|1,0,0]=3 587 B9R1.1 OCC1=CC=C(Cl)C=C1 C39406 [1,1,0,0,0,0|1,0,0]=3 588 B9R1.1 OCC1=CC=C(F)C=C1 F39409 [1,1,0,0,0,0|1,0,0]=3 589 B9R1.1 OCC1=CC=C(I)C=C1 I36662 [1,1,0,0,0,0|1,0,0]=3 590 B9R1.1 OCC1=CN=C(Br)C=C1 B12392 [1,1,0,0,0,0|2,0,0]=4 591 B9R1.1 OCC1=CN=C(Cl)C=C1 C9389 [1,1,0,0,0,0|2,0,0]=4 592 B9R1.1 OCC1=CN=C(F)C=C1 F13989 [1,1,0,0,0,0|2,0,0]=4 593 B9R1.1 OCC1=NC=C(Br)C=C1 B3203 [1,1,0,0,0,0|2,0,0]=4 594 B9R1.1 OCC1=NC=C(Cl)C=C1 C22297 [1,1,0,0,0,0|2,0,0]=4 595 B9R1.1 OCC1=NC=C(F)C=C1 F0644 [1,1,0,0,0,0|2,0,0]=4 596 B9R1.2 BrCC1=CC(Br)=NC=C1 B36914 [1,1,0,0,0,0|2,0,0]=4 597 B9R1.2 BrCC1=CC(Br)=NC=C1 B42520 [1,1,0,0,0,0|2,0,0]=4 598 B9R1.2 BrCC1=CC=CC(Br)=C1 B39369 [1,1,0,0,0,0|1,0,0]=3 599 B9R1.2 BrCC1=CC=CC(Br)=N1 B42519 [1,1,0,0,0,0|2,0,0]=4 600 B9R1.2 BrCC1=CC=CC(I)=C1 B45170 [1,1,0,0,0,0|1,0,0]=3 601 B9R1.2 C#CC1=CC(C)=CC=C1 E51331 [1,1,0,0,0,0|0,0,2]=4 602 B9R1.2 C#CC1=CC=CC(Br)=C1 B47527 [1,1,0,0,0,0|0,0,2]=4 603 B9R1.2 C#CC1=CC=CC(Cl)=C1 C25303 [1,1,0,0,0,0|0,0,2]=4 604 B9R1.2 C#CC1=CC=CC(F)=C1 F47538 [1,1,0,0,0,0|0,0,2]=4 605 B9R1.2 C#CC1=CC=CC(N)=C1 E48307 [1,1,0,0,0,0|0,0,2]=4 606 B9R1.2 C#CC1=CC=CC(N)=C1 E49598 [1,1,0,0,0,0|0,0,2]=4 607 B9R1.2 C#CC1=CC=CC(O)=C1 E37627 [1,1,0,0,0,0|0,0,2]=4 608 B9R1.2 C=CC1=CC=CC(Br)=C1 B36635 [1,1,0,0,0,0|0,0,2]=4 609 B9R1.2 C=CC1=CC=CC(N)=C1 V49171 [1,1,0,0,0,0|0,0,2]=4 610 B9R1.2 CC1=CC(CCl)=CN=C1 C46109 [1,1,0,0,0,0|2,0,0]=4 611 B9R1.2 CC1=CC(CCl)=NC=C1 C46106 [1,1,0,0,0,0|2,0,0]=4 612 B9R1.2 CC1=CC(CN)=NC=C1 A62602 [1,1,0,0,0,0|1,0,0]=3 613 B9R1.2 CC1=CC(CN)=NC=C1 M46587 [1,1,0,0,0,0|1,0,0]=3 614 B9R1.2 CC1=CC(CO)=CN=C1 H10516 [1,1,0,0,0,0|2,0,0]=4 615 B9R1.2 CC1=CC(CO)=NC=C1 M46387 [1,1,0,0,0,0|2,0,0]=4 616 B9R1.2 CC1=CC=CC(CBr)=N1 B46087 [1,1,0,0,0,0|2,0,0]=4 617 B9R1.2 CC1=CC=CC(CCl)=N1 C46103 [1,1,0,0,0,0|2,0,0]=4 618 B9R1.2 CC1=CC=CC(CN)=C1 M37355 [1,1,0,0,0,0|0,0,0]=2 619 B9R1.2 CC1=CC=CC(CN)=N1 M24786 [1,1,0,0,0,0|1,0,0]=3 620 B9R1.2 CC1=CC=CC(CN)=N1 M63579 [1,1,0,0,0,0|1,0,0]=3 621 B9R1.2 CC1=CC=CC(CO)=N1 M46384 [1,1,0,0,0,0|2,0,0]=4 622 B9R1.2 CC1=CC=CC(NN)=C1 M46458 [1,1,0,0,0,0|1,0,0]=3 623 B9R1.2 CC1=CC=CC(NN)=N1 H69493 [1,1,0,0,0,0|2,0,0]=4 624 B9R1.2 CC1=CC=NC(CN)=N1 A14426 [1,1,0,0,0,0|2,0,0]=4 625 B9R1.2 CC1=CC=NC(CN)=N1 M29730 [1,1,0,0,0,0|2,0,0]=4 626 B9R1.2 CC1=CN=NC(CN)=C1 A13026 [1,1,0,0,0,0|2,0,0]=4 627 B9R1.2 CC1=CN=NC(CN)=C1 M27097 [1,1,0,0,0,0|2,0,0]=4 628 B9R1.2 CC1=NC=CC(CBr)=C1 B37231 [1,1,0,0,0,0|2,0,0]=4 629 B9R1.2 CC1=NC=CC(CN)=C1 M46586 [1,1,0,0,0,0|1,0,0]=3 630 B9R1.2 CC1=NC=CC(CO)=C1 M4019 [1,1,0,0,0,0|2,0,0]=4 631 B9R1.2 CCC1=CC(=O)NC=N1 E43198 [1,1,0,0,0,0|2,0,0]=4 632 B9R1.2 CCC1=CC(=O)NN=C1 E43197 [1,1,0,0,0,0|2,0,0]=4 633 B9R1.2 CCC1=CC(Br)=CN=C1 B46076 [1,1,0,0,0,0|1,0,0]=3 634 B9R1.2 CCC1=CC(Cl)=NC=N1 C69336 [1,1,0,0,0,0|2,0,0]=4 635 B9R1.2 CCC1=CC(N)=NC=C1 E4696 [1,1,0,0,0,0|1,0,0]=3 636 B9R1.2 CCC1=CC=CC(Br)=C1 B49158 [1,1,0,0,0,0|0,0,0]=2 637 B9R1.2 CCC1=CC=CC(Br)=N1 B46074 [1,1,0,0,0,0|1,0,0]=3 638 B9R1.2 CCC1=CC=CC(N)=C1 E68361 [1,1,0,0,0,0|0,0,0]=2 639 B9R1.2 CCC1=CC=CC(N)=N1 E43601 [1,1,0,0,0,0|1,0,0]=3 640 B9R1.2 CCC1=CC=CC([Mg+])=C1 E31740 [1,1,0,0,0,0|0,0,0]=2 641 B9R1.2 CCC1=CN=CC(N)=C1 E37485 [1,1,0,0,0,0|1,0,0]=3 642 B9R1.2 CCC1=NC=CC(Br)=C1 B46078 [1,1,0,0,0,0|1,0,0]=3 643 B9R1.2 CCC1=NC=CC(Cl)=N1 C29661 [1,1,0,0,0,0|2,0,0]=4 644 B9R1.2 CCC1=NC=CC(N)=C1 A15478 [1,1,0,0,0,0|1,0,0]=3 645 B9R1.2 CNC1=CC(Br)=NC=C1 B25633 [1,1,0,0,0,0|2,0,0]=4 646 B9R1.2 CNC1=CC(C)=CC=C1 D46861 [1,1,0,0,0,0|1,0,0]=3 647 B9R1.2 CNC1=CC=CC(Br)=C1 B46077 [1,1,0,0,0,0|1,0,0]=3 648 B9R1.2 CNC1=CC=CC(Br)=C1 B66504 [1,1,0,0,0,0|1,0,0]=3 649 B9R1.2 CNC1=CC=CC(Cl)=N1 C43001 [1,1,0,0,0,0|2,0,0]=4 650 B9R1.2 CNC1=NC(C)=CC=C1 D43615 [1,1,0,0,0,0|2,0,0]=4 651 B9R1.2 CNC1=NC=CC(Br)=C1 B23788 [1,1,0,0,0,0|2,0,0]=4 652 B9R1.2 CNC1=NC=CC(N)=C1 M43544 [1,1,0,0,0,0|2,0,0]=4 653 B9R1.2 COC1=CC(=O)NC=C1 M43139 [1,1,0,0,0,0|2,0,0]=4 654 B9R1.2 COC1=CC(Br)=CN=C1 B2876 [1,1,0,0,0,0|2,0,0]=4 655 B9R1.2 COC1=CC(Br)=NC=C1 B9053 [1,1,0,0,0,0|2,0,0]=4 656 B9R1.2 COC1=CC(C)=NC=C1 M22575 [1,1,0,0,0,0|2,0,0]=4 657 B9R1.2 COC1=CC(Cl)=NC=C1 C5269 [1,1,0,0,0,0|2,0,0]=4 658 B9R1.2 COC1=CC(F)=NC=C1 F21874 [1,1,0,0,0,0|2,0,0]=4 659 B9R1.2 COC1=CC(N)=NC=C1 A43189 [1,1,0,0,0,0|2,0,0]=4 660 B9R1.2 COC1=CC(O)=CC=C1 M27960 [1,1,0,0,0,0|1,0,0]=3 661 B9R1.2 COC1=CC=CC(Br)=N1 B2785 [1,1,0,0,0,0|2,0,0]=4 662 B9R1.2 COC1=CC=CC(Cl)=N1 C39269 [1,1,0,0,0,0|2,0,0]=4 663 B9R1.2 COC1=CC=CC(F)=C1 F45965 [1,1,0,0,0,0|1,0,0]=3 664 B9R1.2 COC1=CC=CC(F)=N1 F67375 [1,1,0,0,0,0|2,0,0]=4 665 B9R1.2 COC1=CC=CC(I)=C1 K45966 [1,1,0,0,0,0|1,0,0]=3 666 B9R1.2 COC1=CC=CC(I)=N1 K42932 [1,1,0,0,0,0|2,0,0]=4 667 B9R1.2 COC1=CC=CC([Mg+])=C1 M31743 [1,1,0,0,0,0|1,0,0]=3 668 B9R1.2 COC1=CN=CC(N)=C1 A14114 [1,1,0,0,0,0|2,0,0]=4 669 B9R1.2 COC1=CN=CC(N)=C1 A7930 [1,1,0,0,0,0|2,0,0]=4 670 B9R1.2 COC1=CN=CC(O)=C1 M43136 [1,1,0,0,0,0|2,0,0]=4 671 B9R1.2 COC1=NC(C)=CC=C1 M46380 [1,1,0,0,0,0|2,0,0]=4 672 B9R1.2 COC1=NC(N)=CC=C1 A43190 [1,1,0,0,0,0|2,0,0]=4 673 B9R1.2 COC1=NC=CC(Br)=C1 B3113 [1,1,0,0,0,0|2,0,0]=4 674 B9R1.2 COC1=NC=CC(C)=C1 M46379 [1,1,0,0,0,0|2,0,0]=4 675 B9R1.2 COC1=NC=CC(Cl)=C1 C42902 [1,1,0,0,0,0|2,0,0]=4 676 B9R1.2 COC1=NC=CC(F)=C1 F42927 [1,1,0,0,0,0|2,0,0]=4 677 B9R1.2 COC1=NC=CC(I)=C1 K60534 [1,1,0,0,0,0|2,0,0]=4 678 B9R1.2 COC1=NC=CC(N)=C1 M3947 [1,1,0,0,0,0|2,0,0]=4 679 B9R1.2 COC1=NC=CC(O)=C1 M38428 [1,1,0,0,0,0|2,0,0]=4 680 B9R1.2 CSC1=CC(N)=CC=C1 M46442 [1,1,0,0,0,0|1,0,0]=3 681 B9R1.2 CSC1=CC=CC(Br)=C1 B45613 [1,1,0,0,0,0|1,0,0]=3 682 B9R1.2 CSC1=CC=CC(Br)=N1 B2786 [1,1,0,0,0,0|2,0,0]=4 683 B9R1.2 CSC1=NC=CC(Cl)=C1 C42846 [1,1,0,0,0,0|2,0,0]=4 684 B9R1.2 ClC1=CC=CC(CBr)=C1 B39371 [1,1,0,0,0,0|1,0,0]=3 685 B9R1.2 ClC1=NC=CC(CBr)=C1 B42538 [1,1,0,0,0,0|2,0,0]=4 686 B9R1.2 ClCC1=CC(Br)=CN=C1 B15185 [1,1,0,0,0,0|2,0,0]=4 687 B9R1.2 ClCC1=CC(Cl)=CN=C1 C1777 [1,1,0,0,0,0|2,0,0]=4 688 B9R1.2 ClCC1=CC(Cl)=NC=C1 C12077 [1,1,0,0,0,0|2,0,0]=4 689 B9R1.2 ClCC1=CC=CC(Br)=C1 B45159 [1,1,0,0,0,0|1,0,0]=3 690 B9R1.2 ClCC1=CC=CC(Br)=N1 B27809 [1,1,0,0,0,0|2,0,0]=4 691 B9R1.2 ClCC1=CC=CC(Cl)=N1 C42562 [1,1,0,0,0,0|2,0,0]=4 692 B9R1.2 ClCC1=CC=CC(I)=C1 C45183 [1,1,0,0,0,0|1,0,0]=3 693 B9R1.2 ClCC1=NC=CC(Cl)=C1 C32395 [1,1,0,0,0,0|2,0,0]=4 694 B9R1.2 FC1=CC(CBr)=CN=C1 B37165 [1,1,0,0,0,0|2,0,0]=4 695 B9R1.2 FC1=CC(CCl)=CN=C1 C1821 [1,1,0,0,0,0|2,0,0]=4 696 B9R1.2 FC1=CC=CC(CBr)=C1 B45165 [1,1,0,0,0,0|1,0,0]=3 697 B9R1.2 FC1=CC=CC(CBr)=N1 B42547 [1,1,0,0,0,0|2,0,0]=4 698 B9R1.2 FC1=CC=CC(CCl)=N1 C42570 [1,1,0,0,0,0|2,0,0]=4 699 B9R1.2 N#CC1=CC=CC(Br)=C1 B67572 [1,1,0,0,0,0|0,0,2]=4 700 B9R1.2 N#CC1=CC=CC(Cl)=C1 C39326 [1,1,0,0,0,0|0,0,2]=4 701 B9R1.2 N#CC1=CC=CC(F)=C1 F39329 [1,1,0,0,0,0|0,0,2]=4 702 B9R1.2 N#CC1=CC=CC(I)=C1 K44442 [1,1,0,0,0,0|0,0,2]=4 703 B9R1.2 N#CC1=CC=CC(O)=C1 H64947 [1,1,0,0,0,0|0,0,2]=4 704 B9R1.2 NC1=CC(CO)=CN=C1 A43207 [1,1,0,0,0,0|2,0,0]=4 705 B9R1.2 NC1=CC(CO)=NC=C1 A15900 [1,1,0,0,0,0|2,0,0]=4 706 B9R1.2 NC1=CC=CC(C=O)=C1 A46548 [1,1,0,0,0,0|1,0,1]=4 707 B9R1.2 NC1=CC=CC(CO)=C1 A37868 [1,1,0,0,0,0|1,0,0]=3 708 B9R1.2 NC1=CC=CC(CO)=N1 A43208 [1,1,0,0,0,0|2,0,0]=4 709 B9R1.2 NC1=NC=CC(CO)=C1 A10460 [1,1,0,0,0,0|2,0,0]=4 710 B9R1.2 NCC1=CC(=O)N=CN1 A0948 [1,1,0,0,0,0|2,0,0]=4 711 B9R1.2 NCC1=CC(=O)NC=C1 A1717 [1,1,0,0,0,0|1,0,0]=3 712 B9R1.2 NCC1=CC(Br)=NC=C1 B25759 [1,1,0,0,0,0|1,0,0]=3 713 B9R1.2 NCC1=CC(Cl)=NC=C1 A10467 [1,1,0,0,0,0|1,0,0]=3 714 B9R1.2 NCC1=CC(Cl)=NC=C1 C30000 [1,1,0,0,0,0|1,0,0]=3 715 B9R1.2 NCC1=CC(F)=CN=C1 F5829 [1,1,0,0,0,0|1,0,0]=3 716 B9R1.2 NCC1=CC(F)=NC=C1 F43572 [1,1,0,0,0,0|1,0,0]=3 717 B9R1.2 NCC1=CC(F)=NC=C1 F61414 [1,1,0,0,0,0|1,0,0]=3 718 B9R1.2 NCC1=CC(N)=NC=C1 A43343 [1,1,0,0,0,0|1,0,0]=3 719 B9R1.2 NCC1=CC(N)=NC=N1 A0583 [1,1,0,0,0,0|2,0,0]=4 720 B9R1.2 NCC1=CC=CC(Br)=C1 B46079 [1,1,0,0,0,0|0,0,0]=2 721 B9R1.2 NCC1=CC=CC(Br)=N1 B42981 [1,1,0,0,0,0|1,0,0]=3 722 B9R1.2 NCC1=CC=CC(Cl)=C1 C46098 [1,1,0,0,0,0|0,0,0]=2 723 B9R1.2 NCC1=CC=CC(Cl)=N1 C43006 [1,1,0,0,0,0|1,0,0]=3 724 B9R1.2 NCC1=CC=CC(F)=C1 F15968 [1,1,0,0,0,0|0,0,0]=2 725 B9R1.2 NCC1=CC=CC(I)=C1 K46122 [1,1,0,0,0,0|0,0,0]=2 726 B9R1.2 NCC1=CC=CC(N)=C1 A43599 [1,1,0,0,0,0|0,0,0]=2 727 B9R1.2 NCC1=CC=NC(Cl)=N1 C29619 [1,1,0,0,0,0|2,0,0]=4 728 B9R1.2 NCC1=CN=CC(Cl)=N1 C18971 [1,1,0,0,0,0|2,0,0]=4 729 B9R1.2 NCC1=NC=CC(Br)=C1 A1747 [1,1,0,0,0,0|1,0,0]=3 730 B9R1.2 NCC1=NC=CC(Br)=C1 B42982 [1,1,0,0,0,0|1,0,0]=3 731 B9R1.2 NCC1=NC=CC(Cl)=C1 A14281 [1,1,0,0,0,0|1,0,0]=3 732 B9R1.2 NCC1=NC=CC(F)=C1 F43529 [1,1,0,0,0,0|1,0,0]=3 733 B9R1.2 NNC1=CC(=O)NC=C1 H41142 [1,1,0,0,0,0|2,0,0]=4 734 B9R1.2 NNC1=CC(Cl)=NC=C1 C68130 [1,1,0,0,0,0|2,0,0]=4 735 B9R1.2 NNC1=CC=CC(Br)=C1 B42979 [1,1,0,0,0,0|1,0,0]=3 736 B9R1.2 NNC1=CC=CC(Br)=N1 B41059 [1,1,0,0,0,0|2,0,0]=4 737 B9R1.2 NNC1=CC=CC(Cl)=N1 C4990 [1,1,0,0,0,0|2,0,0]=4 738 B9R1.2 NNC1=CC=CC(F)=C1 F43527 [1,1,0,0,0,0|1,0,0]=3 739 B9R1.2 NNC1=NC=CC(Cl)=C1 C41074 [1,1,0,0,0,0|2,0,0]=4 740 B9R1.2 O=C1C=C(CO)C=CN1 H0460 [1,1,0,0,0,0|2,0,0]=4 741 B9R1.2 O=C1C=CC=C(CO)N1 H23237 [1,1,0,0,0,0|2,0,0]=4 742 B9R1.2 O=CC1=CC(O)=CC=C1 H15969 [1,1,0,0,0,0|1,0,1]=4 743 B9R1.2 O=CC1=CC=CC(Br)=C1 B68146 [1,1,0,0,0,0|1,0,1]=4 744 B9R1.2 O=CC1=CC=CC(Cl)=C1 C69283 [1,1,0,0,0,0|1,0,1]=4 745 B9R1.2 O=CC1=CC=CC(F)=C1 F45149 [1,1,0,0,0,0|1,0,1]=4 746 B9R1.2 O=CC1=CC=CC(I)=C1 K45152 [1,1,0,0,0,0|1,0,1]=4 747 B9R1.2 OC1=CC=CC(CBr)=C1 B38962 [1,1,0,0,0,0|1,0,0]=3 748 B9R1.2 OCC1=CC(Br)=CN=C1 B12503 [1,1,0,0,0,0|2,0,0]=4 749 B9R1.2 OCC1=CC(Br)=NC=C1 B42880 [1,1,0,0,0,0|2,0,0]=4 750 B9R1.2 OCC1=CC(Cl)=CN=C1 C42912 [1,1,0,0,0,0|2,0,0]=4 751 B9R1.2 OCC1=CC(Cl)=NC=C1 C12733 [1,1,0,0,0,0|2,0,0]=4 752 B9R1.2 OCC1=CC(F)=CN=C1 F0704 [1,1,0,0,0,0|2,0,0]=4 753 B9R1.2 OCC1=CC(O)=CN=C1 H39124 [1,1,0,0,0,0|2,0,0]=4 754 B9R1.2 OCC1=CC=CC(Br)=N1 B12271 [1,1,0,0,0,0|2,0,0]=4 755 B9R1.2 OCC1=CC=CC(Cl)=C1 C39405 [1,1,0,0,0,0|1,0,0]=3 756 B9R1.2 OCC1=CC=CC(Cl)=N1 C38619 [1,1,0,0,0,0|2,0,0]=4 757 B9R1.2 OCC1=CC=CC(Cl)=N1 C42916 [1,1,0,0,0,0|2,0,0]=4 758 B9R1.2 OCC1=CC=CC(F)=C1 F39408 [1,1,0,0,0,0|1,0,0]=3 759 B9R1.2 OCC1=CC=CC(F)=N1 F67771 [1,1,0,0,0,0|2,0,0]=4 760 B9R1.2 OCC1=CC=CC(I)=C1 H61971 [1,1,0,0,0,0|1,0,0]=3 761 B9R1.2 OCC1=NC=CC(Br)=C1 B0602 [1,1,0,0,0,0|2,0,0]=4 762 B9R1.2 OCC1=NC=CC(Cl)=C1 C12436 [1,1,0,0,0,0|2,0,0]=4 763 B9R1.2 OCC1=NC=CC(F)=C1 F37340 [1,1,0,0,0,0|2,0,0]=4 764 B9R1.6 CC(C)C1=NC=CC=C1 I0627 [1,1,0,0,0,0|1,0,0]=3 765 B9R1.6 CN(C)C1=CC=NC=C1 P68104 [1,1,0,0,0,0|2,0,0]=4 766 B9R1.6 C[C@@H](N)C1=CC=CC=C1 P68072 [1,1,0,0,0,0|0,0,0]=2 767 B9R1.6 C[C@@H](N)C1=CC=CN=C1 P43620 [1,1,0,0,0,0|1,0,0]=3 768 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P43606 [1,1,0,0,0,0|1,0,0]=3 769 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P46584 [1,1,0,0,0,0|1,0,0]=3 770 B9R1.6 C[C@@H](N)C1=CN=CN=C1 A12922 [1,1,0,0,0,0|2,0,0]=4 771 B9R1.6 C[C@@H](N)C1=CN=CN=C1 P27095 [1,1,0,0,0,0|2,0,0]=4 772 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P43619 [1,1,0,0,0,0|1,0,0]=3 773 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P46583 [1,1,0,0,0,0|1,0,0]=3 774 B9R1.6 C[C@@H](O)C1=CC=CC=C1 P46824 [1,1,0,0,0,0|0,0,0]=2 775 B9R1.6 C[C@@H](O)C1=CC=NC=C1 P46383 [1,1,0,0,0,0|1,0,0]=3 776 B9R1.6 C[C@@H](O)C1=NC=CC=C1 P46382 [1,1,0,0,0,0|1,0,0]=3 777 B9R1.6 C[C@H](Br)C1=NC=CN=C1 B42963 [1,1,0,0,0,0|2,0,0]=4 778 B9R1.6 C[C@H](N)C1=CC=CC=C1 P68597 [1,1,0,0,0,0|0,0,0]=2 779 B9R1.6 C[C@H](N)C1=CC=CC=C1 P69271 [1,1,0,0,0,0|0,0,0]=2 780 B9R1.6 C[C@H](N)C1=CC=CN=C1 P43604 [1,1,0,0,0,0|1,0,0]=3 781 B9R1.6 C[C@H](N)C1=CC=CN=C1 P46585 [1,1,0,0,0,0|1,0,0]=3 782 B9R1.6 C[C@H](N)C1=CC=CN=C1 P61653 [1,1,0,0,0,0|1,0,0]=3 783 B9R1.6 C[C@H](N)C1=CC=NC=C1 P43607 [1,1,0,0,0,0|1,0,0]=3 784 B9R1.6 C[C@H](N)C1=CC=NC=C1 P46582 [1,1,0,0,0,0|1,0,0]=3 785 B9R1.6 C[C@H](N)C1=CN=CN=C1 A12921 [1,1,0,0,0,0|2,0,0]=4 786 B9R1.6 C[C@H](N)C1=CN=CN=C1 A7447 [1,1,0,0,0,0|2,0,0]=4 787 B9R1.6 C[C@H](N)C1=CN=NC=C1 P30996 [1,1,0,0,0,0|2,0,0]=4 788 B9R1.6 C[C@H](N)C1=NC=CC=C1 P43621 [1,1,0,0,0,0|1,0,0]=3 789 B9R1.6 C[C@H](N)C1=NC=CC=C1 P66366 [1,1,0,0,0,0|1,0,0]=3 790 B9R1.6 C[C@H](N)C1=NC=CC=N1 P36807 [1,1,0,0,0,0|2,0,0]=4 791 B9R1.6 C[C@H](N)C1=NC=CN=C1 P14583 [1,1,0,0,0,0|2,0,0]=4 792 B9R1.6 C[C@H](N)C1=NC=NC=C1 A12259 [1,1,0,0,0,0|2,0,0]=4 793 B9R1.6 C[C@H](O)C1=CC=CC=C1 P46823 [1,1,0,0,0,0|0,0,0]=2 794 B9R1.6 C[C@H](O)C1=CC=NC=C1 P38118 [1,1,0,0,0,0|1,0,0]=3 795 B9R1.6 C[C@H](O)C1=NC=CC=C1 P46375 [1,1,0,0,0,0|1,0,0]=3 796 B9R1.6 C[C@H](O)C1=NC=CN=C1 P43187 [1,1,0,0,0,0|2,0,0]=4 797 B9R1.6 C[S@](=O)C1=CC=CC=C1 M61814 [1,1,0,0,0,0|1,0,0]=3 798 B9R1.6 C[S@](=O)C1=NC=CC=C1 M43172 [1,1,0,0,0,0|2,0,0]=4 799 B9R1.6 N=C(N)C1=CC=CC=C1 B39428 [1,1,0,0,0,0|0,0,1]=3 800 B9R1.6 N=C(N)C1=CC=CN=C1 N43530 [1,1,0,0,0,0|1,0,1]=4 801 B9R1.6 N=C(N)C1=CC=NC=C1 N43531 [1,1,0,0,0,0|1,0,1]=4 802 B9R1.6 N=C(N)C1=NC=CC=C1 A3829 [1,1,0,0,0,0|1,0,1]=4 803 B9R1.6 N=C(N)C1=NC=CC=C1 P43087 [1,1,0,0,0,0|1,0,1]=4 804 B9R1.6 NC(=O)C1=CC=CC=C1 B69845 [1,1,0,0,0,0|0,0,1]=3 805 B9R1.6 NC(=O)C1=NC=CC=C1 P60877 [1,1,0,0,0,0|1,0,1]=4 806 B9R1.6 O=[S@]([O-])C1=CC=CC=C1 S68689 [1,1,0,0,0,0|2,0,0]=4 807 B9R1.15 BrCC1=C(Br)C=CC=N1 B32048 [1,1,0,0,0,0|2,0,0]=4 808 B9R1.15 BrCC1=C(I)C=CC=C1 B37896 [1,1,0,0,0,0|1,0,0]=3 809 B9R1.15 C#CC1=C(Br)C=CC=C1 B38613 [1,1,0,0,0,0|0,0,2]=4 810 B9R1.15 C#CC1=C(Cl)C=CC=C1 C38576 [1,1,0,0,0,0|0,0,2]=4 811 B9R1.15 C#CC1=C(F)C=CC=C1 E47539 [1,1,0,0,0,0|0,0,2]=4 812 B9R1.15 C#CC1=C(N)C=CC=C1 E24087 [1,1,0,0,0,0|0,0,2]=4 813 B9R1.15 C#CC1=C(O)C=CC=C1 E48112 [1,1,0,0,0,0|0,0,2]=4 814 B9R1.15 C=CC1=C(Br)C=CC=C1 B48296 [1,1,0,0,0,0|0,0,2]=4 815 B9R1.15 C=CC1=C(Cl)C=CC=C1 C48303 [1,1,0,0,0,0|0,0,2]=4 816 B9R1.15 C=CC1=C(N)C=CC=C1 V36733 [1,1,0,0,0,0|0,0,2]=4 817 B9R1.15 CC1=C(CBr)C=CC=N1 B15311 [1,1,0,0,0,0|2,0,0]=4 818 B9R1.15 CC1=C(CBr)C=NC=C1 B37536 [1,1,0,0,0,0|2,0,0]=4 819 B9R1.15 CC1=C(CCl)C=CC=N1 C14756 [1,1,0,0,0,0|2,0,0]=4 820 B9R1.15 CC1=C(CCl)C=CN=C1 C13917 [1,1,0,0,0,0|2,0,0]=4 821 B9R1.15 CC1=C(CCl)C=CN=C1 C46110 [1,1,0,0,0,0|2,0,0]=4 822 B9R1.15 CC1=C(CCl)C=NC=C1 C14757 [1,1,0,0,0,0|2,0,0]=4 823 B9R1.15 CC1=C(CCl)C=NC=C1 C46108 [1,1,0,0,0,0|2,0,0]=4 824 B9R1.15 CC1=C(CN)C=CC=C1 M65907 [1,1,0,0,0,0|0,0,0]=2 825 B9R1.15 CC1=C(CN)C=NC=C1 A11511 [1,1,0,0,0,0|1,0,0]=3 826 B9R1.15 CC1=C(CN)N=NC=C1 M60279 [1,1,0,0,0,0|2,0,0]=4 827 B9R1.15 CC1=C(CO)C=CN=C1 H1761 [1,1,0,0,0,0|2,0,0]=4 828 B9R1.15 CC1=C(CO)C=NC=C1 H11512 [1,1,0,0,0,0|2,0,0]=4 829 B9R1.15 CC1=C(NN)C=CC=C1 T39424 [1,1,0,0,0,0|1,0,0]=3 830 B9R1.15 CC1=CC=CN=C1CCl C14758 [1,1,0,0,0,0|2,0,0]=4 831 B9R1.15 CC1=CC=CN=C1CCl C46105 [1,1,0,0,0,0|2,0,0]=4 832 B9R1.15 CC1=CC=CN=C1CN M46460 [1,1,0,0,0,0|1,0,0]=3 833 B9R1.15 CC1=CC=CN=C1CO H46388 [1,1,0,0,0,0|2,0,0]=4 834 B9R1.15 CC1=CN=NC=C1CN A14785 [1,1,0,0,0,0|2,0,0]=4 835 B9R1.15 CC1=NC=CN=C1CN A11549 [1,1,0,0,0,0|2,0,0]=4 836 B9R1.15 CCC1=C(Br)C=CC=C1 B68946 [1,1,0,0,0,0|0,0,0]=2 837 B9R1.15 CCC1=C(Br)C=CC=N1 B23432 [1,1,0,0,0,0|1,0,0]=3 838 B9R1.15 CCC1=C(Br)C=CN=C1 B10961 [1,1,0,0,0,0|1,0,0]=3 839 B9R1.15 CCC1=C(Br)C=CN=C1 B30062 [1,1,0,0,0,0|1,0,0]=3 840 B9R1.15 CCC1=C(Br)C=NC=C1 B23431 [1,1,0,0,0,0|1,0,0]=3 841 B9R1.15 CCC1=C(Br)C=NC=N1 B42964 [1,1,0,0,0,0|2,0,0]=4 842 B9R1.15 CCC1=C(C)C=CC=C1 E50165 [1,1,0,0,0,0|0,0,0]=2 843 B9R1.15 CCC1=C(F)C=NC=N1 E0673 [1,1,0,0,0,0|2,0,0]=4 844 B9R1.15 CCC1=C([Mg+])C=CC=C1 E31738 [1,1,0,0,0,0|0,0,0]=2 845 B9R1.15 CCC1=CC=NNC1=O E43195 [1,1,0,0,0,0|2,0,0]=4 846 B9R1.15 CCC1=CN=CN=C1Cl C42985 [1,1,0,0,0,0|2,0,0]=4 847 B9R1.15 CCC1=NC=CN=C1C E43603 [1,1,0,0,0,0|2,0,0]=4 848 B9R1.15 CCC1=NC=CN=C1Cl C38966 [1,1,0,0,0,0|2,0,0]=4 849 B9R1.15 CCC1=NC=CN=C1N E43328 [1,1,0,0,0,0|2,0,0]=4 850 B9R1.15 CCC1=NC=CNC1=O E43188 [1,1,0,0,0,0|2,0,0]=4 851 B9R1.15 CC[N+]1=C(Br)C=CC=C1 B46367 [1,1,0,0,0,0|1,0,0]=3 852 B9R1.15 CNC1=C(Br)C=CC=C1 B46075 [1,1,0,0,0,0|1,0,0]=3 853 B9R1.15 CNC1=C(C)C=CC=C1 D46860 [1,1,0,0,0,0|1,0,0]=3 854 B9R1.15 CNC1=C(C)C=CN=C1 D67183 [1,1,0,0,0,0|2,0,0]=4 855 B9R1.15 CNC1=C(Cl)C=CC=C1 C46094 [1,1,0,0,0,0|1,0,0]=3 856 B9R1.15 CNC1=C(Cl)C=CC=N1 C42995 [1,1,0,0,0,0|2,0,0]=4 857 B9R1.15 CNC1=C(F)C=CC=C1 M39414 [1,1,0,0,0,0|1,0,0]=3 858 B9R1.15 CNC1=C(N)C=CC=C1 M43618 [1,1,0,0,0,0|1,0,0]=3 859 B9R1.15 CNC1=C(N)C=CC=C1 M68814 [1,1,0,0,0,0|1,0,0]=3 860 B9R1.15 CNC1=C(N)C=CN=C1 M62812 [1,1,0,0,0,0|2,0,0]=4 861 B9R1.15 CNC1=C(O)C=CC=C1 M64657 [1,1,0,0,0,0|1,0,0]=3 862 B9R1.15 CNC1=CC=CN=C1Cl C42994 [1,1,0,0,0,0|2,0,0]=4 863 B9R1.15 CNC1=CC=CN=C1N M62813 [1,1,0,0,0,0|2,0,0]=4 864 B9R1.15 CNC1=NC=CC=C1N M43341 [1,1,0,0,0,0|2,0,0]=4 865 B9R1.15 COC1=C(Br)C=CC=C1 B67901 [1,1,0,0,0,0|1,0,0]=3 866 B9R1.15 COC1=C(Br)C=CC=N1 B12855 [1,1,0,0,0,0|2,0,0]=4 867 B9R1.15 COC1=C(Br)C=CN=C1 B61080 [1,1,0,0,0,0|2,0,0]=4 868 B9R1.15 COC1=C(Br)C=NC=C1 B9421 [1,1,0,0,0,0|2,0,0]=4 869 B9R1.15 COC1=C(Cl)C=CC=N1 C42900 [1,1,0,0,0,0|2,0,0]=4 870 B9R1.15 COC1=C(Cl)C=NC=C1 C42901 [1,1,0,0,0,0|2,0,0]=4 871 B9R1.15 COC1=C(F)C=CC=N1 F42926 [1,1,0,0,0,0|2,0,0]=4 872 B9R1.15 COC1=C(I)C=CC=C1 K68160 [1,1,0,0,0,0|1,0,0]=3 873 B9R1.15 COC1=C(I)C=CC=N1 K42933 [1,1,0,0,0,0|2,0,0]=4 874 B9R1.15 COC1=C(I)C=NC=C1 K42934 [1,1,0,0,0,0|2,0,0]=4 875 B9R1.15 COC1=C(N)C=NC=C1 A43191 [1,1,0,0,0,0|2,0,0]=4 876 B9R1.15 COC1=C(N)N=CC=C1 A69248 [1,1,0,0,0,0|2,0,0]=4 877 B9R1.15 COC1=C([Mg+])C=CC=C1 M31742 [1,1,0,0,0,0|1,0,0]=3 878 B9R1.15 COC1=CC=CN=C1Br B4536 [1,1,0,0,0,0|2,0,0]=4 879 B9R1.15 COC1=CC=CN=C1Cl C24085 [1,1,0,0,0,0|2,0,0]=4 880 B9R1.15 COC1=CC=CN=C1F F42924 [1,1,0,0,0,0|2,0,0]=4 881 B9R1.15 COC1=CC=CN=C1I K62151 [1,1,0,0,0,0|2,0,0]=4 882 B9R1.15 COC1=NC=CC=C1C M46378 [1,1,0,0,0,0|2,0,0]=4 883 B9R1.15 COC1=NC=CC=C1N A12743 [1,1,0,0,0,0|2,0,0]=4 884 B9R1.15 CSC1=C(F)N=CC=C1 F42849 [1,1,0,0,0,0|2,0,0]=4 885 B9R1.15 CSC1=C([Mg+])C=CC=C1 M31770 [1,1,0,0,0,0|1,0,0]=3 886 B9R1.15 ClCC1=C(Br)C=CC=N1 B42529 [1,1,0,0,0,0|2,0,0]=4 887 B9R1.15 ClCC1=C(Cl)C=CC=N1 C42563 [1,1,0,0,0,0|2,0,0]=4 888 B9R1.15 ClCC1=C(Cl)C=CC=N1 C42564 [1,1,0,0,0,0|2,0,0]=4 889 B9R1.15 ClCC1=CC=CN=C1Cl C7688 [1,1,0,0,0,0|2,0,0]=4 890 B9R1.15 FC1=C(C[Mg+])C=CC=C1 F6778 [1,1,0,0,0,0|1,0,0]=3 891 B9R1.15 FC1=CC=CN=C1CBr B19661 [1,1,0,0,0,0|2,0,0]=4 892 B9R1.15 FC1=CC=CN=C1CBr B7783 [1,1,0,0,0,0|2,0,0]=4 893 B9R1.15 FC1=CC=CN=C1CCl C13988 [1,1,0,0,0,0|2,0,0]=4 894 B9R1.15 N#CC1=C(Br)C=CC=C1 B67862 [1,1,0,0,0,0|0,0,2]=4 895 B9R1.15 N#CC1=C(F)C=CC=C1 F68598 [1,1,0,0,0,0|0,0,2]=4 896 B9R1.15 N#CC1=C(I)C=CC=C1 K44441 [1,1,0,0,0,0|0,0,2]=4 897 B9R1.15 N#CC1=C(N)C=CC=C1 A68606 [1,1,0,0,0,0|0,0,2]=4 898 B9R1.15 N#CC1=C(O)C=CC=C1 H68602 [1,1,0,0,0,0|0,0,2]=4 899 B9R1.15 NC1=C(C=O)C=CC=C1 A32220 [1,1,0,0,0,0|1,0,1]=4 900 B9R1.15 NC1=C(CO)C=CC=C1 A7795 [1,1,0,0,0,0|1,0,0]=3 901 B9R1.15 NC1=C(CO)C=CC=N1 A12467 [1,1,0,0,0,0|2,0,0]=4 902 B9R1.15 NC1=CC=CN=C1CO A24069 [1,1,0,0,0,0|2,0,0]=4 903 B9R1.15 NCC1=C(Br)C=CC=C1 B36643 [1,1,0,0,0,0|0,0,0]=2 904 B9R1.15 NCC1=C(Br)C=CN=C1 B63849 [1,1,0,0,0,0|1,0,0]=3 905 B9R1.15 NCC1=C(Br)C=NC=C1 B36920 [1,1,0,0,0,0|1,0,0]=3 906 B9R1.15 NCC1=C(Cl)C=CC=C1 C46097 [1,1,0,0,0,0|0,0,0]=2 907 B9R1.15 NCC1=C(Cl)C=CC=C1 C46104 [1,1,0,0,0,0|0,0,0]=2 908 B9R1.15 NCC1=C(Cl)C=CC=N1 A14307 [1,1,0,0,0,0|1,0,0]=3 909 B9R1.15 NCC1=C(Cl)C=CC=N1 C29809 [1,1,0,0,0,0|1,0,0]=3 910 B9R1.15 NCC1=C(F)C=CC=C1 F26320 [1,1,0,0,0,0|0,0,0]=2 911 B9R1.15 NCC1=C(F)C=CC=N1 A12648 [1,1,0,0,0,0|1,0,0]=3 912 B9R1.15 NCC1=C(F)C=CC=N1 A1712 [1,1,0,0,0,0|1,0,0]=3 913 B9R1.15 NCC1=C(F)C=CC=N1 F61824 [1,1,0,0,0,0|1,0,0]=3 914 B9R1.15 NCC1=C(F)C=NC=C1 F9408 [1,1,0,0,0,0|1,0,0]=3 915 B9R1.15 NCC1=C(I)C=CC=C1 I36799 [1,1,0,0,0,0|0,0,0]=2 916 B9R1.15 NCC1=C(O)C=CC=C1 A38718 [1,1,0,0,0,0|0,0,0]=2 917 B9R1.15 NCC1=C(O)C=CC=C1 A46574 [1,1,0,0,0,0|0,0,0]=2 918 B9R1.15 NCC1=C(O)C=CC=N1 A43199 [1,1,0,0,0,0|1,0,0]=3 919 B9R1.15 NCC1=C(O)C=NC=C1 A43200 [1,1,0,0,0,0|1,0,0]=3 920 B9R1.15 NCC1=CC=CN=C1Cl A10464 [1,1,0,0,0,0|1,0,0]=3 921 B9R1.15 NCC1=CC=CN=C1F F43528 [1,1,0,0,0,0|1,0,0]=3 922 B9R1.15 NCC1=CC=NNC1=O A14522 [1,1,0,0,0,0|2,0,0]=4 923 B9R1.15 NCC1=NC=CN=C1Cl C25893 [1,1,0,0,0,0|2,0,0]=4 924 B9R1.15 NCC1=NC=CN=C1Cl C26687 [1,1,0,0,0,0|2,0,0]=4 925 B9R1.15 NNC1=C(Br)C=CC=C1 B39273 [1,1,0,0,0,0|1,0,0]=3 926 B9R1.15 NNC1=C(Br)C=NC=C1 B61571 [1,1,0,0,0,0|2,0,0]=4 927 B9R1.15 NNC1=C(Cl)C=CC=C1 C39274 [1,1,0,0,0,0|1,0,0]=3 928 B9R1.15 NNC1=C(Cl)C=CC=N1 C5118 [1,1,0,0,0,0|2,0,0]=4 929 B9R1.15 NNC1=C(F)C=CC=C1 F39286 [1,1,0,0,0,0|1,0,0]=3 930 B9R1.15 NNC1=C(F)C=CC=N1 F41082 [1,1,0,0,0,0|2,0,0]=4 931 B9R1.15 NNC1=C(I)C=CC=C1 K43028 [1,1,0,0,0,0|1,0,0]=3 932 B9R1.15 O=CC1=C(Br)C=CC=C1 B38420 [1,1,0,0,0,0|1,0,1]=4 933 B9R1.15 O=CC1=C(Cl)C=CC=C1 C67575 [1,1,0,0,0,0|1,0,1]=4 934 B9R1.15 O=CC1=C(F)C=CC=C1 F68099 [1,1,0,0,0,0|1,0,1]=4 935 B9R1.15 O=CC1=C(I)C=CC=C1 I0665 [1,1,0,0,0,0|1,0,1]=4 936 B9R1.15 OCC1=C(Br)C=CC=C1 B39402 [1,1,0,0,0,0|1,0,0]=3 937 B9R1.15 OCC1=C(Br)C=CC=N1 B42889 [1,1,0,0,0,0|2,0,0]=4 938 B9R1.15 OCC1=C(Br)C=NC=C1 B9966 [1,1,0,0,0,0|2,0,0]=4 939 B9R1.15 OCC1=C(Cl)C=CC=C1 C68885 [1,1,0,0,0,0|1,0,0]=3 940 B9R1.15 OCC1=C(Cl)C=CC=N1 C42910 [1,1,0,0,0,0|2,0,0]=4 941 B9R1.15 OCC1=C(Cl)C=CN=C1 C42911 [1,1,0,0,0,0|2,0,0]=4 942 B9R1.15 OCC1=C(Cl)C=CN=C1 C42915 [1,1,0,0,0,0|2,0,0]=4 943 B9R1.15 OCC1=C(F)C=CC=C1 F39407 [1,1,0,0,0,0|1,0,0]=3 944 B9R1.15 OCC1=C(F)C=CC=N1 F1706 [1,1,0,0,0,0|2,0,0]=4 945 B9R1.15 OCC1=C(F)C=CN=C1 F30083 [1,1,0,0,0,0|2,0,0]=4 946 B9R1.15 OCC1=C(F)C=NC=C1 F10404 [1,1,0,0,0,0|2,0,0]=4 947 B9R1.15 OCC1=C(I)C=CC=C1 K45967 [1,1,0,0,0,0|1,0,0]=3 948 B9R1.15 OCC1=C(O)C=CC=N1 H60848 [1,1,0,0,0,0|2,0,0]=4 949 B9R1.15 OCC1=CC=CN=C1Br B69414 [1,1,0,0,0,0|2,0,0]=4 950 B9R1.15 OCC1=CC=CN=C1Cl C0580 [1,1,0,0,0,0|2,0,0]=4 951 B9R1.15 OCC1=CC=CN=C1F F42930 [1,1,0,0,0,0|2,0,0]=4 952 B9R1.7 CC1=CC=C(CCO)O1 M43716 [0,1,0,0,1,0|2,0,0]=4 953 B9R1.7 CCCC1=CC=C(Br)S1 B38199 [0,1,0,0,1,0|2,0,0]=4 954 B9R1.7 NNCC1=CC=C(Cl)S1 C13974 [0,1,0,0,1,0|2,0,0]=4 955 B9R1.11 N[C@@H](CO)C1=CC=CS1 A43554 [0,1,0,0,1,0|2,0,0]=4 956 B9R1.12 CCCCC1=CSC=C1 B47048 [0,1,0,0,1,0|2,0,0]=4 957 B9R1.12 CCOCC1=CC=CO1 E38338 [0,1,0,0,1,0|2,0,0]=4 958 B9R1.12 ICCCC1=CC=CS1 K46278 [0,1,0,0,1,0|2,0,0]=4 959 B9R1.12 N#CCCN1C=CC=C1 P45971 [0,1,0,0,1,0|1,0,1]=4 960 B9R1.12 OCCCC1=CC=CS1 T36724 [0,1,0,0,1,0|2,0,0]=4 961 B9R1.33 CC1=C(CCN)SC=N1 M3229 [0,1,0,0,1,0|2,0,0]=4 962 B9R1.33 CC1=NC=CN1CCN M43556 [0,1,0,0,1,0|2,0,0]=4 963 B11R1.1 BrCCCC1=CC=C(Br)C=C1 B49699 [0,2,0,0,0,0|1,0,0]=3 964 B11R1.1 CC1=CC=C(CN=[N+]=[N-])C=C1 A9118 [0,2,0,0,0,0|1,0,1]=4 965 B11R1.1 CCCCC1=CC=C(Br)C=C1 B68752 [0,2,0,0,0,0|1,0,0]=3 966 B11R1.1 CCCCC1=CC=C(N)C=C1 B39618 [0,2,0,0,0,0|1,0,0]=3 967 B11R1.1 CCCCC1=CC=C([Mg+])C=C1 B31783 [0,2,0,0,0,0|1,0,0]=3 968 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 B54075 [0,2,0,0,0,0|2,0,0]=4 969 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 B54252 [0,2,0,0,0,0|2,0,0]=4 970 B11R1.1 CCNCC1=CC=C(Br)C=C1 E50225 [0,2,0,0,0,0|1,0,0]=3 971 B11R1.1 CCNCC1=CC=C(C)C=C1 M53114 [0,2,0,0,0,0|1,0,0]=3 972 B11R1.1 CCNCC1=CC=C(Cl)C=C1 E50238 [0,2,0,0,0,0|1,0,0]=3 973 B11R1.1 CCOCC1=CN=C(Cl)C=C1 C62281 [0,2,0,0,0,0|2,0,0]=4 974 B11R1.1 COCCC1=CC=C(O)C=C1 H67272 [0,2,0,0,0,0|1,0,0]=3 975 B11R1.1 ClC1=CC=C(CCCBr)C=C1 B49700 [0,2,0,0,0,0|1,0,0]=3 976 B11R1.1 ClCCOC1=CC=C(Cl)C=C1 C49149 [0,2,0,0,0,0|1,0,0]=3 977 B11R1.1 FC1=CC=C(CCCI)C=C1 F49704 [0,2,0,0,0,0|1,0,0]=3 978 B11R1.1 FC1=CC=C(OCCBr)C=C1 B49139 [0,2,0,0,0,0|1,0,0]=3 979 B11R1.1 N#CCCC1=CC=C(Br)C=C1 B51452 [0,2,0,0,0,0|0,0,1]=3 980 B11R1.1 N#CCOC1=CC=C(Cl)C=C1 C15567 [0,2,0,0,0,0|0,0,2]=4 981 B11R1.1 NCCCC1=CC=C(Cl)C=C1 C50240 [0,2,0,0,0,0|0,0,0]=2 982 B11R1.1 NCCCC1=CC=C(F)C=C1 F52144 [0,2,0,0,0,0|0,0,0]=2 983 B11R1.1 NCCNC1=NC=C(Br)C=C1 B43690 [0,2,0,0,0,0|1,0,0]=3 984 B11R1.1 NCCOC1=CC=C(F)C=C1 F46812 [0,2,0,0,0,0|0,0,0]=2 985 B11R1.1 NCCOC1=CC=C(F)C=C1 F49512 [0,2,0,0,0,0|0,0,0]=2 986 B11R1.1 O=CCCC1=CC=C(Br)C=C1 B52022 [0,2,0,0,0,0|1,0,0]=3 987 B11R1.1 O=CCCC1=CC=C(O)C=C1 H60513 [0,2,0,0,0,0|1,0,0]=3 988 B11R1.1 OCCCC1=CC=C(Br)C=C1 B37932 [0,2,0,0,0,0|1,0,0]=3 989 B11R1.1 OCCCC1=CC=C(Cl)C=C1 C50159 [0,2,0,0,0,0|1,0,0]=3 990 B11R1.1 OCCCC1=CC=C(O)C=C1 H37679 [0,2,0,0,0,0|1,0,0]=3 991 B11R1.1 [N-]=[N+]=NCC1=CC=C(Br)C=C1 A9122 [0,2,0,0,0,0|1,0,1]=4 992 B11R1.1 [N-]=[N+]=NCC1=CC=C(Cl)C=C1 A9120 [0,2,0,0,0,0|1,0,1]=4 993 B11R1.1 [N-]=[N+]=NCC1=CC=C(F)C=C1 A9119 [0,2,0,0,0,0|1,0,1]=4 994 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 B52021 [0,2,0,0,0,0|1,0,1]=4 995 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 C52036 [0,2,0,0,0,0|1,0,1]=4 996 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 F52043 [0,2,0,0,0,0|1,0,1]=4 997 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 B52869 [0,2,0,0,0,0|1,0,0]=3 998 B11R1.20 CC(C)NC1=CC=C(F)C=C1 F50250 [0,2,0,0,0,0|2,0,0]=4 999 B11R1.20 CC(C)OC1=CC=C(N)C=C1 P50334 [0,2,0,0,0,0|2,0,0]=4 1000 B11R1.20 CC(C)OC1=CC=C(O)C=C1 P60509 [0,2,0,0,0,0|2,0,0]=4 1001 B11R1.20 CC(C)SC1=CC=C(Br)C=C1 B49968 [0,2,0,0,0,0|2,0,0]=4 1002 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 T37815 [0,2,0,0,0,0|1,0,1]=4 1003 B11R1.20 CC1=CC=C(NC(N)=S)C=C1 T46710 [0,2,0,0,0,0|1,0,1]=4 1004 B11R1.20 CN(C)CC1=CC=C(N)C=C1 D24687 [0,2,0,0,0,0|2,0,0]=4 1005 B11R1.20 C[C@H](O)CC1=CC=C(F)C=C1 F36778 [0,2,0,0,0,0|1,0,0]=3 1006 B11R1.20 FC(F)OC1=CC=C(Br)C=C1 B45142 [0,2,0,0,0,0|2,0,0]=4 1007 B11R1.20 NC(=O)CC1=CC=C(Cl)C=C1 C49035 [0,2,0,0,0,0|0,0,1]=3 1008 B11R1.20 NC(=O)CC1=CN=C(Cl)C=C1 C45699 [0,2,0,0,0,0|1,0,1]=4 1009 B11R1.20 NC(=O)CC1=NC=C(Br)C=C1 B45688 [0,2,0,0,0,0|1,0,1]=4 1010 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 C37226 [0,2,0,0,0,0|1,0,1]=4 1011 B11R1.20 NC(=S)NC1=CC=C(F)C=C1 F1233 [0,2,0,0,0,0|1,0,1]=4 1012 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 A69139 [0,2,0,0,0,0|1,0,1]=4 1013 B11R1.20 NC1=CC=C(OC(F)F)C=C1 D45886 [0,2,0,0,0,0|2,0,0]=4 1014 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 B7856 [0,2,0,0,0,0|1,0,1]=4 1015 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 C68318 [0,2,0,0,0,0|1,0,1]=4 1016 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 F67433 [0,2,0,0,0,0|1,0,1]=4 1017 B11R1.20 OC1=CC=C(OC(F)F)C=C1 D38768 [0,2,0,0,0,0|2,0,0]=4 1018 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 B52024 [0,2,0,0,0,0|1,0,1]=4 1019 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 A52107 [0,2,0,0,0,0|0,0,1]=3 1020 B11R1.22 CC1=CC=C(C(=O)NN)C=C1 T46647 [0,2,0,0,0,0|1,0,1]=4 1021 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 A52174 [0,2,0,0,0,0|1,0,0]=3 1022 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 B16168 [0,2,0,0,0,0|1,0,1]=4 1023 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 F39582 [0,2,0,0,0,0|1,0,1]=4 1024 B11R1.22 CCC(=O)C1=CC=C(I)C=C1 K52052 [0,2,0,0,0,0|1,0,1]=4 1025 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 T54185 [0,2,0,0,0,0|1,0,0]=3 1026 B11R1.22 CC[C@@H](N)C1=CC=C(Cl)C=C1 C50244 [0,2,0,0,0,0|1,0,0]=3 1027 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 F52146 [0,2,0,0,0,0|1,0,0]=3 1028 B11R1.22 CC[C@H](C)C1=CC=C(Br)C=C1 B39008 [0,2,0,0,0,0|1,0,0]=3 1029 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 B50231 [0,2,0,0,0,0|1,0,0]=3 1030 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 B50235 [0,2,0,0,0,0|1,0,0]=3 1031 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 C37034 [0,2,0,0,0,0|1,0,0]=3 1032 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 F52142 [0,2,0,0,0,0|1,0,0]=3 1033 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 F52149 [0,2,0,0,0,0|1,0,0]=3 1034 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 B50237 [0,2,0,0,0,0|2,0,0]=4 1035 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 C50248 [0,2,0,0,0,0|2,0,0]=4 1036 B11R1.22 CN[C@H](C)C1=CC=C(Cl)C=C1 C50247 [0,2,0,0,0,0|2,0,0]=4 1037 B11R1.22 C[C@@H](CN)C1=CC=C(O)C=C1 A28643 [0,2,0,0,0,0|0,0,0]=2 1038 B11R1.22 C[C@H](C#N)C1=CC=C(Br)C=C1 B51451 [0,2,0,0,0,0|0,0,2]=4 1039 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 B49032 [0,2,0,0,0,0|0,0,1]=3 1040 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 A49045 [0,2,0,0,0,0|0,0,1]=3 1041 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 A49617 [0,2,0,0,0,0|0,0,1]=3 1042 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 C45695 [0,2,0,0,0,0|1,0,1]=4 1043 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 F45705 [0,2,0,0,0,0|1,0,1]=4 1044 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A38341 [0,2,0,0,0,0|1,0,0]=3 1045 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A46796 [0,2,0,0,0,0|1,0,0]=3 1046 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A46798 [0,2,0,0,0,0|1,0,0]=3 1047 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 A46808 [0,2,0,0,0,0|1,0,0]=3 1048 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 A46813 [0,2,0,0,0,0|1,0,0]=3 1049 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 A46818 [0,2,0,0,0,0|1,0,0]=3 1050 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 A49527 [0,2,0,0,0,0|1,0,0]=3 1051 B11R1.22 N[C@@H](CO)C1=CN=C(Cl)C=C1 A46332 [0,2,0,0,0,0|2,0,0]=4 1052 B11R1.22 N[C@@H](CO)C1=NC=C(F)C=C1 A37122 [0,2,0,0,0,0|2,0,0]=4 1053 B11R1.22 N[C@H](CO)C1=CC=C(Br)C=C1 A46797 [0,2,0,0,0,0|1,0,0]=3 1054 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 A46811 [0,2,0,0,0,0|1,0,0]=3 1055 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 A46821 [0,2,0,0,0,0|1,0,0]=3 1056 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 A49517 [0,2,0,0,0,0|1,0,0]=3 1057 B11R1.22 N[C@H](CO)C1=CC=C(O)C=C1 A49528 [0,2,0,0,0,0|1,0,0]=3 1058 B11R1.22 O=C(CCl)C1=CC=C(Br)C=C1 B48246 [0,2,0,0,0,0|1,0,1]=4 1059 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 C69024 [0,2,0,0,0,0|1,0,1]=4 1060 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 B49377 [0,2,0,0,0,0|1,0,0]=3 1061 B11R1.81 CC1=CC(F)=C(CC#N)C=C1 F51461 [0,2,0,0,0,0|0,0,2]=4 1062 B11R1.81 CCCC1=C(O)C=C(O)C=C1 P50281 [0,2,0,0,0,0|1,0,0]=3 1063 B11R1.81 CCOC1=C(Cl)C=C(N)C=C1 C38144 [0,2,0,0,0,0|2,0,0]=4 1064 B11R1.81 CCOC1=C(N)C=C(C)C=C1 E50337 [0,2,0,0,0,0|2,0,0]=4 1065 B11R1.81 CCOC1=C(N)C=C(N)C=C1 E46634 [0,2,0,0,0,0|2,0,0]=4 1066 B11R1.81 CNCC1=C(Cl)C=C(Cl)C=C1 D1582 [0,2,0,0,0,0|2,0,0]=4 1067 B11R1.81 CNCC1=C(Cl)C=C(Cl)C=C1 D29989 [0,2,0,0,0,0|2,0,0]=4 1068 B11R1.81 CNCC1=C(F)C=C(F)C=C1 D49253 [0,2,0,0,0,0|2,0,0]=4 1069 B11R1.81 COCC1=C(F)C=C(N)C=C1 F46814 [0,2,0,0,0,0|2,0,0]=4 1070 B11R1.81 ClC1=CC(Br)=C(CCBr)C=C1 B48298 [0,2,0,0,0,0|1,0,0]=3 1071 B11R1.81 N#CCC1=C(Br)C=C(Cl)C=C1 B47665 [0,2,0,0,0,0|0,0,2]=4 1072 B11R1.81 N#CCC1=C(Br)C=C(F)C=C1 B47683 [0,2,0,0,0,0|0,0,2]=4 1073 B11R1.81 N#CCC1=C(Cl)C=C(F)C=C1 C47696 [0,2,0,0,0,0|0,0,2]=4 1074 B11R1.81 N#CCC1=C(F)C=C(Br)C=C1 B47686 [0,2,0,0,0,0|0,0,2]=4 1075 B11R1.81 N#CCC1=C(F)C=C(Cl)C=C1 C60777 [0,2,0,0,0,0|0,0,2]=4 1076 B11R1.81 N#CCC1=C(F)C=C(F)C=C1 D47708 [0,2,0,0,0,0|0,0,2]=4 1077 B11R1.81 NCCC1=C(F)C=C(F)C=C1 D69468 [0,2,0,0,0,0|0,0,0]=2 1078 B11R1.81 NNCC1=C(Cl)C=C(Cl)C=C1 D12478 [0,2,0,0,0,0|1,0,0]=3 1079 B11R1.81 NNCC1=C(Cl)C=C(Cl)C=C1 D26039 [0,2,0,0,0,0|1,0,0]=3 1080 B11R1.81 NNCC1=C(Cl)C=C(F)C=C1 C12475 [0,2,0,0,0,0|1,0,0]=3 1081 B11R1.81 NNCC1=C(Cl)C=C(F)C=C1 C31594 [0,2,0,0,0,0|1,0,0]=3 1082 B11R1.81 NOCC1=C(Cl)C=C(Cl)C=C1 D45883 [0,2,0,0,0,0|1,0,0]=3 1083 B11R1.81 OCCC1=C(Cl)C=C(Cl)C=C1 D49147 [0,2,0,0,0,0|1,0,0]=3 1084 B11R1.83 C#CC1=CC=C(CC#N)C=C1 E53504 [0,2,0,0,0,0|0,0,2]=4 1085 B11R1.83 C#CC1=CC=C(CCC)C=C1 E54480 [0,2,0,0,0,0|1,0,0]=3 1086 B11R1.83 C#CC1=CC=C(OCC)C=C1 E52410 [0,2,0,0,0,0|2,0,0]=4 1087 B11R1.83 CCC1=CC=C(CNC)C=C1 E53118 [0,2,0,0,0,0|2,0,0]=4 1088 B11R1.83 CCC1=CN=C(CCO)C=C1 E39550 [0,2,0,0,0,0|2,0,0]=4 1089 B11R1.83 CCCC1=CC=C(C=O)C=C1 P52777 [0,2,0,0,0,0|1,0,0]=3 1090 B11R1.83 CCNC1=CC=C(C#N)C=C1 E49708 [0,2,0,0,0,0|2,0,0]=4 1091 B11R1.83 CCOC1=CC=C(CN)C=C1 E50343 [0,2,0,0,0,0|2,0,0]=4 1092 B11R1.83 CNCC1=CC=C(C#N)C=C1 M49716 [0,2,0,0,0,0|2,0,0]=4 1093 B11R1.83 CNCC1=CC=C(OC)C=C1 M38582 [0,2,0,0,0,0|2,0,0]=4 1094 B11R1.83 CNCC1=CC=C(OC)C=C1 M52172 [0,2,0,0,0,0|2,0,0]=4 1095 B11R1.83 COC1=CC=C(CC#N)C=C1 M16235 [0,2,0,0,0,0|0,0,2]=4 1096 B11R1.83 COC1=CC=C(CC=O)C=C1 M49894 [0,2,0,0,0,0|1,0,1]=4 1097 B11R1.83 COC1=CC=C(CCO)C=C1 M67580 [0,2,0,0,0,0|1,0,0]=3 1098 B11R1.83 COC1=CC=C(CC[Mg+])C=C1 M31722 [0,2,0,0,0,0|1,0,0]=3 1099 B11R1.83 COC1=CC=C(CNN)C=C1 M0099 [0,2,0,0,0,0|1,0,0]=3 1100 B11R1.83 COC1=CC=C(CNN)C=C1 M19471 [0,2,0,0,0,0|1,0,0]=3 1101 B11R1.83 COC1=CC=C(CNN)C=C1 M23593 [0,2,0,0,0,0|1,0,0]=3 1102 B11R1.83 COC1=CC=C(CON)C=C1 M10064 [0,2,0,0,0,0|1,0,0]=3 1103 B11R1.83 COC1=CC=C(CON)C=C1 M38789 [0,2,0,0,0,0|1,0,0]=3 1104 B11R1.83 COC1=CN=C(CCN)C=C1 M49539 [0,2,0,0,0,0|1,0,0]=3 1105 B11R1.83 N#CC1=CC=C(CCBr)C=C1 B36957 [0,2,0,0,0,0|1,0,0]=3 1106 B11R1.83 N#CC1=CC=C(CCO)C=C1 H51763 [0,2,0,0,0,0|1,0,0]=3 1107 B11R1.83 N#CCC1=CC=C(C#N)C=C1 C50794 [0,2,0,0,0,0|0,0,2]=4 1108 B11R1.192 CCCC1=CC(F)=C(Br)C=C1 B49701 [0,2,0,0,0,0|1,0,0]=3 1109 B11R1.192 CCOC1=CC(C)=C(Br)C=C1 B50152 [0,2,0,0,0,0|2,0,0]=4 1110 B11R1.192 CCOC1=CC(F)=C(Br)C=C1 B49136 [0,2,0,0,0,0|2,0,0]=4 1111 B11R1.192 CNCC1=CC(C)=C(C)C=C1 D53119 [0,2,0,0,0,0|2,0,0]=4 1112 B11R1.192 CNCC1=CC(Cl)=C(Cl)C=C1 D67460 [0,2,0,0,0,0|2,0,0]=4 1113 B11R1.192 CNCC1=CC(O)=C(O)C=C1 M49486 [0,2,0,0,0,0|2,0,0]=4 1114 B11R1.192 FC1=C(F)C=C(CCBr)C=C1 B48302 [0,2,0,0,0,0|1,0,0]=3 1115 B11R1.192 N#CCC1=CC(Br)=C(F)C=C1 B47685 [0,2,0,0,0,0|0,0,2]=4 1116 B11R1.192 N#CCC1=CC(Cl)=C(Cl)C=C1 D67912 [0,2,0,0,0,0|0,0,2]=4 1117 B11R1.192 N#CCC1=CC(Cl)=C(F)C=C1 C47694 [0,2,0,0,0,0|0,0,2]=4 1118 B11R1.192 N#CCC1=CC(F)=C(Br)C=C1 B47671 [0,2,0,0,0,0|0,0,2]=4 1119 B11R1.192 N#CCC1=CC(F)=C(Cl)C=C1 C47698 [0,2,0,0,0,0|0,0,2]=4 1120 B11R1.192 N#CCC1=CC(F)=C(F)C=C1 D47709 [0,2,0,0,0,0|0,0,2]=4 1121 B11R1.192 OCCC1=CC(Cl)=C(Cl)C=C1 D49146 [0,2,0,0,0,0|1,0,0]=3 1122 B11R1.192 OCCC1=CC(F)=C(Cl)C=C1 C49151 [0,2,0,0,0,0|1,0,0]=3 1123 B11R1.13 CC1=C(F)C=CC=C1CC#N F51462 [0,2,0,0,0,0|0,0,2]=4 1124 B11R1.13 N#CCC1=CC=CC(Br)=C1F B47670 [0,2,0,0,0,0|0,0,2]=4 1125 B11R1.13 N#CCC1=CC=CC(Cl)=C1Cl D47689 [0,2,0,0,0,0|0,0,2]=4 1126 B11R1.13 N#CCC1=CC=CC(Cl)=C1F C47693 [0,2,0,0,0,0|0,0,2]=4 1127 B11R1.13 N#CCC1=CC=CC(F)=C1F D47707 [0,2,0,0,0,0|0,0,2]=4 1128 B11R1.13 OCCC1=CC=CC(Cl)=C1Cl D49145 [0,2,0,0,0,0|1,0,0]=3 1129 B11R1.17 CC1=C(CN=[N+]=[N-])C=CC=C1 M9125 [0,2,0,0,0,0|1,0,1]=4 1130 B11R1.17 CC1=C(NCCO)C=CC=C1 H50355 [0,2,0,0,0,0|1,0,0]=3 1131 B11R1.17 CC1=C(OCC#N)C=CC=C1 T51755 [0,2,0,0,0,0|0,0,2]=4 1132 B11R1.17 CC1=C(OCCN)C=CC=C1 M50346 [0,2,0,0,0,0|0,0,0]=2 1133 B11R1.17 CCCOC1=C(O)C=CC=C1 P50279 [0,2,0,0,0,0|1,0,0]=3 1134 B11R1.17 OCCCC1=C(Br)C=CC=C1 B50150 [0,2,0,0,0,0|1,0,0]=3 1135 B11R1.17 [N-]=[N+]=NCC1=C(F)C=CC=C1 A9130 [0,2,0,0,0,0|1,0,1]=4 1136 B11R1.41 CNCC1=C(OC)C=CC=C1 M50356 [0,2,0,0,0,0|2,0,0]=4 1137 B11R1.41 COC1=C(CC#N)C=CC=C1 M62292 [0,2,0,0,0,0|0,0,2]=4 1138 B11R1.41 COC1=C(CCBr)C=CC=C1 B50155 [0,2,0,0,0,0|1,0,0]=3 1139 B11R1.41 COC1=C(CCN)C=CC=C1 M66296 [0,2,0,0,0,0|0,0,0]=2 1140 B11R1.41 COC1=C(CCO)C=CC=C1 M50284 [0,2,0,0,0,0|1,0,0]=3 1141 B11R1.41 COC1=C(CNN)C=CC=C1 M12218 [0,2,0,0,0,0|1,0,0]=3 1142 B11R1.41 N#CC1=C(CCBr)C=CC=C1 B51450 [0,2,0,0,0,0|1,0,0]=3 1143 B11R1.41 N#CCC1=C(C#N)C=CC=C1 C50793 [0,2,0,0,0,0|0,0,2]=4 1144 B11R1.41 N#CCC1=C(C=O)C=CC=C1 F37431 [0,2,0,0,0,0|0,0,2]=4 1145 B11R1.41 N#CCC1=C(CBr)C=CC=C1 B51453 [0,2,0,0,0,0|0,0,2]=4 1146 B11R1.41 O=CC1=C(CCBr)C=CC=C1 B52025 [0,2,0,0,0,0|1,0,0]=3 1147 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 B52020 [0,2,0,0,0,0|1,0,1]=4 1148 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 C52039 [0,2,0,0,0,0|1,0,1]=4 1149 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 F52044 [0,2,0,0,0,0|1,0,1]=4 1150 B11R1.86 CC(C)OC1=C(Br)C=CC=C1 B50144 [0,2,0,0,0,0|2,0,0]=4 1151 B11R1.86 CC(C)OC1=C(N)C=CC=C1 P67507 [0,2,0,0,0,0|2,0,0]=4 1152 B11R1.86 CC(C)SC1=C(N)C=CC=C1 P50385 [0,2,0,0,0,0|2,0,0]=4 1153 B11R1.86 CC(C)SC1=C(N)C=CC=C1 P60671 [0,2,0,0,0,0|2,0,0]=4 1154 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 T69090 [0,2,0,0,0,0|1,0,1]=4 1155 B11R1.86 FC(F)OC1=C(Br)C=CC=C1 B45140 [0,2,0,0,0,0|2,0,0]=4 1156 B11R1.86 FC(F)OC1=C(I)C=CC=C1 D38936 [0,2,0,0,0,0|2,0,0]=4 1157 B11R1.86 NC(=O)CC1=C(Cl)C=CC=C1 C49033 [0,2,0,0,0,0|0,0,1]=3 1158 B11R1.86 NC(=S)NC1=C(Br)C=CC=C1 B62940 [0,2,0,0,0,0|1,0,1]=4 1159 B11R1.86 NC(=S)NC1=C(Cl)C=CC=C1 C39396 [0,2,0,0,0,0|1,0,1]=4 1160 B11R1.86 NC1=C(OC(F)F)C=CC=C1 D67331 [0,2,0,0,0,0|2,0,0]=4 1161 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 B39490 [0,2,0,0,0,0|1,0,1]=4 1162 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 F39494 [0,2,0,0,0,0|1,0,1]=4 1163 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 K48630 [0,2,0,0,0,0|1,0,1]=4 1164 B11R1.182 CC1=C(CC#N)C=C(F)C=C1 F51464 [0,2,0,0,0,0|0,0,2]=4 1165 B11R1.182 CC1=CC(CC#N)=C(C)C=C1 D52506 [0,2,0,0,0,0|0,0,2]=4 1166 B11R1.182 CCOC1=C(C)C=CC(Br)=C1 B50153 [0,2,0,0,0,0|2,0,0]=4 1167 B11R1.182 COCC1=C(F)C=CC(Br)=C1 B39083 [0,2,0,0,0,0|2,0,0]=4 1168 B11R1.182 N#CCC1=C(Br)C=CC(F)=C1 B47684 [0,2,0,0,0,0|0,0,2]=4 1169 B11R1.182 N#CCC1=C(Cl)C=CC(Cl)=C1 D47687 [0,2,0,0,0,0|0,0,2]=4 1170 B11R1.182 N#CCC1=C(Cl)C=CC(F)=C1 C47691 [0,2,0,0,0,0|0,0,2]=4 1171 B11R1.182 N#CCC1=C(F)C=CC(Br)=C1 B38134 [0,2,0,0,0,0|0,0,2]=4 1172 B11R1.182 NC1=CC(CCO)=C(N)C=C1 D47001 [0,2,0,0,0,0|1,0,0]=3 1173 B11R1.182 NCCC1=C(Cl)C=CC(Cl)=C1 D49228 [0,2,0,0,0,0|0,0,0]=2 1174 B11R1.182 OCCC1=C(Cl)C=CC(Cl)=C1 D49148 [0,2,0,0,0,0|1,0,0]=3 1175 B11R1.182 OCCC1=C(F)C=CC(F)=C1 D49156 [0,2,0,0,0,0|1,0,0]=3 1176 B11R1.222 CC1=C([C@H](C)C#N)C=CC=C1 T52504 [0,2,0,0,0,0|0,0,2]=4 1177 B11R1.222 CCC(=O)C1=C(C)C=CC=C1 M52778 [0,2,0,0,0,0|1,0,1]=4 1178 B11R1.222 CCC(=O)C1=C(Cl)C=CC=C1 C52038 [0,2,0,0,0,0|1,0,1]=4 1179 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 H39530 [0,2,0,0,0,0|1,0,1]=4 1180 B11R1.222 CC[C@@H](N)C1=C(C)C=CC=C1 T54184 [0,2,0,0,0,0|1,0,0]=3 1181 B11R1.222 CC[C@H](C)C1=C(N)C=CC=C1 B53112 [0,2,0,0,0,0|1,0,0]=3 1182 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 C50243 [0,2,0,0,0,0|1,0,0]=3 1183 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 F52141 [0,2,0,0,0,0|1,0,0]=3 1184 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 F52147 [0,2,0,0,0,0|1,0,0]=3 1185 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 A52170 [0,2,0,0,0,0|1,0,0]=3 1186 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 A69482 [0,2,0,0,0,0|0,0,1]=3 1187 B11R1.222 NNC(=O)C1=C(Cl)C=CC=C1 C45693 [0,2,0,0,0,0|1,0,1]=4 1188 B11R1.222 NNC(=O)C1=C(F)C=CC=C1 F45704 [0,2,0,0,0,0|1,0,1]=4 1189 B11R1.222 N[C@@H](CO)C1=C(Cl)C=NC=C1 A46331 [0,2,0,0,0,0|2,0,0]=4 1190 B11R1.222 N[C@H](CO)C1=C(Cl)C=CC=C1 A46809 [0,2,0,0,0,0|1,0,0]=3 1191 B11R1.222 N[C@H](CO)C1=C(F)C=CC=C1 A46819 [0,2,0,0,0,0|1,0,0]=3 1192 B11R1.222 N[C@H](CO)C1=C(F)C=CC=C1 A49515 [0,2,0,0,0,0|1,0,0]=3 1193 B11R1.222 O=C(CBr)C1=C(Cl)C=CC=C1 B60597 [0,2,0,0,0,0|1,0,1]=4 1194 B11R1.222 O=C(CBr)C1=C(F)C=CC=C1 B48254 [0,2,0,0,0,0|1,0,1]=4 1195 B11R1.222 O=C(CBr)C1=C(O)C=CC=C1 B48582 [0,2,0,0,0,0|1,0,1]=4 1196 B11R1.222 O=C(CF)C1=C(F)C=CC=C1 F48290 [0,2,0,0,0,0|1,0,1]=4 1197 B11R1.605 CCOC1=C(F)C=CC=C1F E49153 [0,2,0,0,0,0|2,0,0]=4 1198 B11R1.605 N#CCC1=C(Br)C=CC=C1Br D47659 [0,2,0,0,0,0|0,0,2]=4 1199 B11R1.605 N#CCC1=C(Cl)C=CC=C1Cl D39458 [0,2,0,0,0,0|0,0,2]=4 1200 B11R1.605 N#CCC1=C(Cl)C=CC=C1F C47692 [0,2,0,0,0,0|0,0,2]=4 1201 B11R1.605 N#CCC1=C(F)C=CC=C1F D38482 [0,2,0,0,0,0|0,0,2]=4 1202 B11R1.605 NCCC1=C(Cl)C=CC=C1Cl D64783 [0,2,0,0,0,0|0,0,0]=2 1203 B11R1.605 OCCC1=C(Cl)C=CC=C1Cl D38686 [0,2,0,0,0,0|1,0,0]=3 1204 B11R1.23 CC1=CC=CC(C(=O)CBr)=C1 B52023 [0,2,0,0,0,0|1,0,1]=4 1205 B11R1.23 CC1=CC=CC(C(=O)NN)=C1 M46653 [0,2,0,0,0,0|1,0,1]=4 1206 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 A50349 [0,2,0,0,0,0|1,0,0]=3 1207 B11R1.23 CC1=CC=CC([C@H](N)CO)=C1 A50350 [0,2,0,0,0,0|1,0,0]=3 1208 B11R1.23 CC1=CC=CC([C@H](N)CO)=C1 A52173 [0,2,0,0,0,0|1,0,0]=3 1209 B11R1.23 CCC(=O)C1=CC(O)=CC=C1 H49893 [0,2,0,0,0,0|1,0,1]=4 1210 B11R1.23 CCC(=O)C1=CC=CC(F)=C1 F38669 [0,2,0,0,0,0|1,0,1]=4 1211 B11R1.23 CC[C@@H](N)C1=CC(C)=CC=C1 T54183 [0,2,0,0,0,0|1,0,0]=3 1212 B11R1.23 CC[C@@H](N)C1=CC=CC(F)=C1 F52145 [0,2,0,0,0,0|1,0,0]=3 1213 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 B50234 [0,2,0,0,0,0|1,0,0]=3 1214 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 F52148 [0,2,0,0,0,0|1,0,0]=3 1215 B11R1.23 CN[C@@H](C)C1=CC=CC(Br)=C1 B50236 [0,2,0,0,0,0|2,0,0]=4 1216 B11R1.23 NNC(=O)C1=CC=CC(Br)=C1 B45685 [0,2,0,0,0,0|1,0,1]=4 1217 B11R1.23 NNC(=O)C1=CC=CC(Cl)=C1 C45694 [0,2,0,0,0,0|1,0,1]=4 1218 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 A46787 [0,2,0,0,0,0|1,0,0]=3 1219 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 A46801 [0,2,0,0,0,0|1,0,0]=3 1220 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 A46803 [0,2,0,0,0,0|1,0,0]=3 1221 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 A64410 [0,2,0,0,0,0|1,0,0]=3 1222 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 A66336 [0,2,0,0,0,0|1,0,0]=3 1223 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 A49514 [0,2,0,0,0,0|1,0,0]=3 1224 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=N1 A46570 [0,2,0,0,0,0|2,0,0]=4 1225 B11R1.23 N[C@@H](CO)C1=CC=CC(O)=C1 A49526 [0,2,0,0,0,0|1,0,0]=3 1226 B11R1.23 N[C@H](CO)C1=CC=CC(Br)=C1 A46799 [0,2,0,0,0,0|1,0,0]=3 1227 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 A46804 [0,2,0,0,0,0|1,0,0]=3 1228 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 A46810 [0,2,0,0,0,0|1,0,0]=3 1229 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 A46820 [0,2,0,0,0,0|1,0,0]=3 1230 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 A49516 [0,2,0,0,0,0|1,0,0]=3 1231 B11R1.23 N[C@H](CO)C1=CC=CC(I)=C1 A11985 [0,2,0,0,0,0|1,0,0]=3 1232 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 B48248 [0,2,0,0,0,0|1,0,1]=4 1233 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 B48255 [0,2,0,0,0,0|1,0,1]=4 1234 B11R1.23 O=C(CBr)C1=CC(O)=CC=C1 B68743 [0,2,0,0,0,0|1,0,1]=4 1235 B11R1.23 O=C(CBr)C1=CC=CC(Br)=C1 B68490 [0,2,0,0,0,0|1,0,1]=4 1236 B11R1.23 OC[C@H](O)C1=CC=CC(Cl)=C1 C49388 [0,2,0,0,0,0|1,0,0]=3 1237 B11R1.23 O[C@@H](CCl)C1=CC=CC(Cl)=C1 C36827 [0,2,0,0,0,0|1,0,0]=3 1238 B11R1.24 CC1=CC=CC(CCCO)=C1 M66328 [0,2,0,0,0,0|1,0,0]=3 1239 B11R1.24 CC1=CC=CC(CN=[N+]=[N-])=C1 M9126 [0,2,0,0,0,0|1,0,1]=4 1240 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 B54248 [0,2,0,0,0,0|2,0,0]=4 1241 B11R1.24 CCNCC1=CC=CC(Br)=C1 E50224 [0,2,0,0,0,0|1,0,0]=3 1242 B11R1.24 CCNCC1=CC=CC(Cl)=C1 C50239 [0,2,0,0,0,0|1,0,0]=3 1243 B11R1.24 CCNCC1=CC=CC(Cl)=C1 C50242 [0,2,0,0,0,0|1,0,0]=3 1244 B11R1.24 CCNCC1=CC=CC(F)=C1 F50251 [0,2,0,0,0,0|1,0,0]=3 1245 B11R1.24 COCOC1=CC=CC(F)=C1 F49397 [0,2,0,0,0,0|2,0,0]=4 1246 B11R1.24 FCCOC1=CC=CC(F)=C1 D49152 [0,2,0,0,0,0|1,0,0]=3 1247 B11R1.24 O=CCCC1=CC=CC(Br)=C1 B64250 [0,2,0,0,0,0|1,0,0]=3 1248 B11R1.24 OCCCC1=CC=CC(Br)=C1 B50149 [0,2,0,0,0,0|1,0,0]=3 1249 B11R1.24 OCCNC1=CC=CC(Cl)=N1 C46329 [0,2,0,0,0,0|2,0,0]=4 1250 B11R1.24 [N-]=[N+]=NCC1=CC=CC(F)=C1 A9128 [0,2,0,0,0,0|1,0,1]=4 1251 B11R1.34 C=CCC1=CC(Br)=CC(F)=C1 A51332 [0,2,0,0,0,0|1,0,1]=4 1252 B11R1.34 CC1=CC(F)=CC(CC#N)=C1 F51463 [0,2,0,0,0,0|0,0,2]=4 1253 B11R1.34 CCOC1=CC(Br)=CC(F)=C1 B49135 [0,2,0,0,0,0|2,0,0]=4 1254 B11R1.34 CNCC1=CC(Cl)=CC(Cl)=C1 D64876 [0,2,0,0,0,0|2,0,0]=4 1255 B11R1.34 FC1=CC(F)=CC(CCBr)=C1 B63546 [0,2,0,0,0,0|1,0,0]=3 1256 B11R1.34 N#CCC1=CC(Br)=CC(Br)=C1 D47658 [0,2,0,0,0,0|0,0,2]=4 1257 B11R1.34 N#CCC1=CC(Cl)=CC(Cl)=C1 D47690 [0,2,0,0,0,0|0,0,2]=4 1258 B11R1.34 N#CCC1=CC(Cl)=CC(F)=C1 C47697 [0,2,0,0,0,0|0,0,2]=4 1259 B11R1.34 N#CCC1=CC(F)=CC(F)=C1 D47710 [0,2,0,0,0,0|0,0,2]=4 1260 B11R1.157 CC(=O)CC1=CC=CC(Br)=C1 B64129 [0,2,0,0,0,0|1,0,1]=4 1261 B11R1.157 CC(=O)CC1=CC=CC(Cl)=C1 C52040 [0,2,0,0,0,0|1,0,1]=4 1262 B11R1.157 CC(=O)CC1=CC=CC(F)=C1 F52045 [0,2,0,0,0,0|1,0,1]=4 1263 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 B52868 [0,2,0,0,0,0|1,0,0]=3 1264 B11R1.157 CC(C)OC1=CC(O)=CC=C1 M61115 [0,2,0,0,0,0|2,0,0]=4 1265 B11R1.157 CC(C)OC1=CC=CC(Br)=C1 B66115 [0,2,0,0,0,0|2,0,0]=4 1266 B11R1.157 CC1=CC=CC(CC(=O)O)=C1 T49882 [0,2,0,0,0,0|1,0,1]=4 1267 B11R1.157 CN(C)CC1=CC=CC(Br)=C1 B50233 [0,2,0,0,0,0|2,0,0]=4 1268 B11R1.157 CN(C)CC1=CC=CC(O)=C1 D50353 [0,2,0,0,0,0|2,0,0]=4 1269 B11R1.157 FC(F)OC1=CC=CC(Br)=C1 B45141 [0,2,0,0,0,0|2,0,0]=4 1270 B11R1.157 N=C(N)NC1=CC=CC(Cl)=C1 C65282 [0,2,0,0,0,0|1,0,1]=4 1271 B11R1.157 NC(=O)CC1=CC(N)=CC=C1 A46654 [0,2,0,0,0,0|0,0,1]=3 1272 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 C49034 [0,2,0,0,0,0|0,0,1]=3 1273 B11R1.157 NC1=CC=CC(OC(F)F)=C1 D45885 [0,2,0,0,0,0|2,0,0]=4 1274 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 B67653 [0,2,0,0,0,0|1,0,1]=4 1275 B11R1.157 O=C(O)CC1=CC=CC(Cl)=C1 C68317 [0,2,0,0,0,0|1,0,1]=4 1276 B11R1.157 O=C(O)CC1=CC=CC(F)=C1 F23088 [0,2,0,0,0,0|1,0,1]=4 1277 B11R1.157 O=C(O)CC1=CC=CC(I)=C1 K48631 [0,2,0,0,0,0|1,0,1]=4 1278 B11R1.157 OC1=CC=CC(OC(F)F)=C1 D45518 [0,2,0,0,0,0|2,0,0]=4 1279 B11R1.189 C=CCC1=CC=CC(OC)=C1 M52782 [0,2,0,0,0,0|1,0,1]=4 1280 B11R1.189 CNCC1=CC=CC(C#N)=C1 M49715 [0,2,0,0,0,0|2,0,0]=4 1281 B11R1.189 CNCC1=CC=CC(OC)=C1 M50357 [0,2,0,0,0,0|2,0,0]=4 1282 B11R1.189 COC1=CC(CC#N)=CC=C1 M22153 [0,2,0,0,0,0|0,0,2]=4 1283 B11R1.189 COC1=CC(CCN)=CC=C1 M52171 [0,2,0,0,0,0|0,0,0]=2 1284 B11R1.189 COC1=CC(CCN)=CC=C1 M67069 [0,2,0,0,0,0|0,0,0]=2 1285 B11R1.189 COC1=CC(CCO)=CC=C1 M50285 [0,2,0,0,0,0|1,0,0]=3 1286 B11R1.189 COC1=CC(CNN)=CC=C1 M0100 [0,2,0,0,0,0|1,0,0]=3 1287 B11R1.189 N#CC1=CC(CCO)=NC=C1 H11913 [0,2,0,0,0,0|2,0,0]=4 1288 B11R1.189 N#CC1=CC=CC(CCO)=C1 H38259 [0,2,0,0,0,0|1,0,0]=3 1289 B11R1.189 NCC1=CC=CC(CCO)=C1 A32377 [0,2,0,0,0,0|1,0,0]=3 1290 B11R1.7 C#CC(C)(C)C1=CC=CC=C1 M64383 [0,2,0,0,0,0|1,0,1]=4 1291 B11R1.7 C#C[C@@](C)(O)C1=CC=CC=C1 P52408 [0,2,0,0,0,0|1,0,1]=4 1292 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 M62343 [0,2,0,0,0,0|0,0,2]=4 1293 B11R1.7 CC(C)(CN)C1=CC=CC=C1 M53116 [0,2,0,0,0,0|0,0,0]=2 1294 B11R1.7 NCC(F)(F)C1=NC=CC=C1 D64291 [0,2,0,0,0,0|1,0,0]=3 1295 B11R1.7 NCC(F)(F)C1=NC=CC=C1 P12649 [0,2,0,0,0,0|1,0,0]=3 1296 B11R1.7 O=S(=O)(CCl)C1=CC=CC=C1 C45914 [0,2,0,0,0,0|2,0,0]=4 1297 B11R1.7 OCC(F)(F)C1=NC=CC=C1 D1557 [0,2,0,0,0,0|2,0,0]=4 1298 B11R1.12 CN[C@H](CO)C1=CC=CC=C1 M52180 [0,2,0,0,0,0|1,0,0]=3 1299 B11R1.12 COC(OC)C1=CC=CC=C1 B69843 [0,2,0,0,0,0|2,0,0]=4 1300 B11R1.12 CO[C@@H](CO)C1=CC=CC=C1 M50282 [0,2,0,0,0,0|1,0,0]=3 1301 B11R1.12 OCC(CO)C1=CC=CC=C1 P67660 [0,2,0,0,0,0|1,0,0]=3 1302 B11R1.16 C=CC[C@@H](N)C1=CC=CC=C1 P54139 [0,2,0,0,0,0|1,0,0]=3 1303 B11R1.16 CCCC(=O)C1=CN=CC=C1 P50020 [0,2,0,0,0,0|2,0,0]=4 1304 B11R1.16 CCCC(=O)C1=NC=CC=C1 B50017 [0,2,0,0,0,0|2,0,0]=4 1305 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 P54182 [0,2,0,0,0,0|1,0,0]=3 1306 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 P37698 [0,2,0,0,0,0|2,0,0]=4 1307 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 P52255 [0,2,0,0,0,0|2,0,0]=4 1308 B11R1.16 CCO[P@@H](=O)C1=CC=CC=C1 E46942 [0,2,0,0,0,0|2,0,0]=4 1309 B11R1.16 CN(CCN)C1=CC=CC=C1 M52257 [0,2,0,0,0,0|0,0,0]=2 1310 B11R1.16 CN(CCO)C1=CC=CC=C1 M50351 [0,2,0,0,0,0|1,0,0]=3 1311 B11R1.16 N#CCC(=O)C1=CC=CC=C1 X67635 [0,2,0,0,0,0|0,0,2]=4 1312 B11R1.16 N#CC[C@H](O)C1=CC=CC=C1 H51766 [0,2,0,0,0,0|0,0,1]=3 1313 B11R1.16 NCC[C@H](O)C1=CC=CC=C1 A55426 [0,2,0,0,0,0|0,0,0]=2 1314 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 A37972 [0,2,0,0,0,0|1,0,0]=3 1315 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 A50352 [0,2,0,0,0,0|1,0,0]=3 1316 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 H69256 [0,2,0,0,0,0|1,0,0]=3 1317 B11R1.16 O=C(OCCl)C1=CC=CC=C1 C48587 [0,2,0,0,0,0|1,0,1]=4 1318 B11R1.16 OCC[C@H](O)C1=NC=CC=C1 P46920 [0,2,0,0,0,0|2,0,0]=4 1319 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C50162 [0,2,0,0,0,0|1,0,0]=3 1320 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C69270 [0,2,0,0,0,0|1,0,0]=3 1321 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 C50160 [0,2,0,0,0,0|1,0,0]=3 1322 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 B39601 [0,2,0,0,0,0|1,0,1]=4 1323 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 M39089 [0,2,0,0,0,0|1,0,0]=3 1324 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M36968 [0,2,0,0,0,0|1,0,0]=3 1325 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M53117 [0,2,0,0,0,0|1,0,0]=3 1326 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 P49885 [0,2,0,0,0,0|1,0,1]=4 1327 B11R1.36 C[C@@H](O)[C@@H](N)C1=CC=CC=C1 A52178 [0,2,0,0,0,0|1,0,0]=3 1328 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 A52176 [0,2,0,0,0,0|1,0,0]=3 1329 B11R1.36 C[C@H](Br)C(=O)C1=CC=CC=C1 B52026 [0,2,0,0,0,0|1,0,1]=4 1330 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 P36930 [0,2,0,0,0,0|1,0,1]=4 1331 B11R1.36 C[C@H](O)[C@@H](N)C1=CC=CC=C1 A52179 [0,2,0,0,0,0|1,0,0]=3 1332 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 A52177 [0,2,0,0,0,0|1,0,0]=3 1333 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 A69457 [0,2,0,0,0,0|0,0,1]=3 1334 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 A69199 [0,2,0,0,0,0|0,0,1]=3 1335 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 A68336 [0,2,0,0,0,0|1,0,1]=4 1336 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 A69083 [0,2,0,0,0,0|1,0,1]=4 1337 B11R1.36 O=C(C1=CC=CC=C1)C(F)F D63183 [0,2,0,0,0,0|1,0,1]=4 1338 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M64934 [0,2,0,0,0,0|1,0,1]=4 1339 B11R1.36 O=C(O)[C@H](Cl)C1=CC=CC=C1 C48589 [0,2,0,0,0,0|1,0,1]=4 1340 B11R1.28 BrCCCCC1=CC=CC=C1 B52867 [0,2,0,0,0,0|1,0,0]=3 1341 B11R1.28 BrCCCOC1=CC=CC=C1 B39545 [0,2,0,0,0,0|1,0,0]=3 1342 B11R1.28 BrCCOCC1=CC=CC=C1 B19978 [0,2,0,0,0,0|1,0,0]=3 1343 B11R1.28 C#CCOCC1=CC=CC=C1 P52414 [0,2,0,0,0,0|1,0,0]=3 1344 B11R1.28 C=CCOCC1=CC=CC=C1 A52780 [0,2,0,0,0,0|1,0,0]=3 1345 B11R1.28 CCCCCC1=CC=CN=C1 P53110 [0,2,0,0,0,0|2,0,0]=4 1346 B11R1.28 CCCCCC1=NC=CC=C1 P53109 [0,2,0,0,0,0|2,0,0]=4 1347 B11R1.28 CCCNCC1=CC=CC=C1 B22211 [0,2,0,0,0,0|1,0,0]=3 1348 B11R1.28 CCOC=NC1=CC=CC=C1 E50019 [0,2,0,0,0,0|1,0,1]=4 1349 B11R1.28 CCOCCC1=NC=CC=C1 E69081 [0,2,0,0,0,0|2,0,0]=4 1350 B11R1.28 N#CCNCC1=CC=CC=C1 B49709 [0,2,0,0,0,0|0,0,1]=3 1351 B11R1.28 NCCOCC1=CC=CC=C1 B50339 [0,2,0,0,0,0|0,0,0]=2 1352 B11R1.28 NCCOCC1=CC=CC=C1 B52169 [0,2,0,0,0,0|0,0,0]=2 1353 B11R1.28 NCCSSC1=NC=CC=C1 P37126 [0,2,0,0,0,0|1,0,0]=3 1354 B11R1.28 O=CCCOC1=CC=CC=C1 P49880 [0,2,0,0,0,0|1,0,0]=3 1355 B11R1.28 O=CCOCC1=CC=CC=C1 B24494 [0,2,0,0,0,0|1,0,0]=3 1356 B11R1.28 OCCC#CC1=CC=NC=C1 P51758 [0,2,0,0,0,0|2,0,0]=4 1357 B11R1.28 OCCC#CC1=NC=CC=C1 P51757 [0,2,0,0,0,0|2,0,0]=4 1358 B11R1.28 OCCCCC1=CC=CC=C1 P69087 [0,2,0,0,0,0|1,0,0]=3 1359 B11R1.28 OCCCCC1=CC=NC=C1 P50342 [0,2,0,0,0,0|2,0,0]=4 1360 B11R1.28 OCCCCC1=CN=CC=C1 P50341 [0,2,0,0,0,0|2,0,0]=4 1361 B11R1.28 OCCCCC1=NC=CC=C1 P50340 [0,2,0,0,0,0|2,0,0]=4 1362 B11R1.28 OCCOCC1=CC=CC=C1 B24595 [0,2,0,0,0,0|1,0,0]=3 1363 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 P52407 [0,2,0,0,0,0|1,0,0]=3 1364 B11R1.40 CNC(=O)CC1=CN=CC=C1 M46657 [0,2,0,0,0,0|1,0,1]=4 1365 B11R1.40 C[C@@H](C#N)NC1=CC=CC=C1 P38171 [0,2,0,0,0,0|0,0,2]=4 1366 B11R1.40 NNC(=O)CC1=CC=NC=C1 P9939 [0,2,0,0,0,0|1,0,1]=4 1367 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 P69082 [0,2,0,0,0,0|0,0,0]=2 1368 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 A38136 [0,2,0,0,0,0|0,0,0]=2 1369 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P64903 [0,2,0,0,0,0|0,0,0]=2 1370 B11R1.40 O=C(CBr)NC1=CC=CC=C1 B49021 [0,2,0,0,0,0|1,0,1]=4 1371 B11R1.40 O=C(CBr)NC1=CC=CC=C1 B64861 [0,2,0,0,0,0|1,0,1]=4 1372 B11R1.40 O=C(CBr)OC1=CC=CC=C1 P48564 [0,2,0,0,0,0|1,0,1]=4 1373 B11R1.40 O=C(CCl)NC1=CC=CC=C1 C38641 [0,2,0,0,0,0|1,0,1]=4 1374 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 B50151 [0,2,0,0,0,0|1,0,0]=3 1375 B11R1.40 OC[C@@H](Cl)CC1=CC=CC=C1 C50161 [0,2,0,0,0,0|1,0,0]=3 1376 B11R1.91 NC(=O)CSC1=CC=CC=C1 P10024 [0,2,0,0,0,0|0,0,1]=3 1377 B11R1.91 NC(=O)OCC1=CC=CC=C1 B37832 [0,2,0,0,0,0|0,0,1]=3 1378 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 C61979 [0,2,0,0,0,0|0,0,2]=4 1379 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 H52037 [0,2,0,0,0,0|1,0,0]=3 1380 B11R1.91 O=C(O)CCC1=NC=CC=C1 P49281 [0,2,0,0,0,0|2,0,0]=4 1381 B11R1.91 O=C(O)CNC1=CC=CC=C1 P68874 [0,2,0,0,0,0|1,0,1]=4 1382 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 N69452 [0,2,0,0,0,0|0,0,1]=3 1383 B11R1.91 OB(O)CCC1=CC=CC=C1 P4926 [0,2,0,0,0,0|1,0,0]=3 1384 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 B37400 [0,2,0,0,0,0|2,0,0]=4 1385 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 M37460 [0,2,0,0,0,0|2,0,0]=4 1386 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 T60768 [0,2,0,0,0,0|2,0,0]=4 1387 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 T60838 [0,2,0,0,0,0|2,0,0]=4 1388 B11R1.509 FC(F)(F)OC1=CC=CC=C1 T39366 [0,2,0,0,0,0|2,0,0]=4 1389 B11R1.509 F[B-](F)(F)CC1=CC=CC=C1 P43591 [0,2,0,0,0,0|2,0,0]=4 1390 B11R1.509 NS(=O)(=O)CC1=CC=CC=C1 P38803 [0,2,0,0,0,0|1,0,0]=3 1391 B9R2.50 C1=CC2=C(C=C1)CC2 B68912 [1,0,0,1,0,0|0,0,0]=2 1392 B11R2.34 BrC1=CC=C(C2CC2)C=C1 B32033 [0,1,0,1,0,0|1,0,0]=3 1393 B11R2.34 BrC1=CN=C(C2CC2)C=C1 B38917 [0,1,0,1,0,0|2,0,0]=4 1394 B11R2.34 BrC1=NC=C(C2CC2)C=C1 B48875 [0,1,0,1,0,0|2,0,0]=4 1395 B11R2.34 FC1=CC=C([C@@H]2CO2)C=C1 F62188 [0,1,0,1,0,0|1,0,0]=3 1396 B11R2.34 FC1=NC=C(C2CC2)C=C1 C48887 [0,1,0,1,0,0|2,0,0]=4 1397 B11R2.34 NC1=CC=C(C2CC2)C=C1 C52090 [0,1,0,1,0,0|1,0,0]=3 1398 B11R2.34 NC1=CN=C(C2CC2)C=C1 C46642 [0,1,0,1,0,0|2,0,0]=4 1399 B11R2.34 NC1=NC=C(C2CC2)C=C1 C46640 [0,1,0,1,0,0|2,0,0]=4 1400 B11R2.34 OC1=CC=C(C2CC2)C=C1 C49871 [0,1,0,1,0,0|1,0,0]=3 1401 B11R2.34 OC1=NC=C(C2CC2)C=C1 C37180 [0,1,0,1,0,0|2,0,0]=4 1402 B11R2.36 BrC1=CC2=C(C=C1)C=NN2 B3296 [0,1,0,1,0,0|1,0,1]=4 1403 B11R2.36 BrC1=CC2=C(C=C1)CCN2 B48873 [0,1,0,1,0,0|0,0,0]=2 1404 B11R2.36 BrC1=CC2=C(C=C1)CCN2 B48878 [0,1,0,1,0,0|0,0,0]=2 1405 B11R2.36 BrC1=CC2=C(C=C1)CCO2 B48719 [0,1,0,1,0,0|1,0,0]=3 1406 B11R2.36 BrC1=CC2=C(C=C1)CNC2 B0713 [0,1,0,1,0,0|2,0,0]=4 1407 B11R2.36 BrC1=CC2=C(C=C1)NC=C2 B2310 [0,1,0,1,0,0|0,0,2]=4 1408 B11R2.36 BrC1=CC2=C(C=C1)NC=N2 B44744 [0,1,0,1,0,0|1,0,1]=4 1409 B11R2.36 BrC1=CC2=C(C=C1)NCC2 B22435 [0,1,0,1,0,0|0,0,0]=2 1410 B11R2.36 BrC1=CC2=C(C=C1)NN=C2 B3352 [0,1,0,1,0,0|1,0,1]=4 1411 B11R2.36 BrC1=CC2=C(C=C1)NN=N2 B42142 [0,1,0,1,0,0|2,0,0]=4 1412 B11R2.36 BrC1=CC2=C(C=C1)OCC2 B24807 [0,1,0,1,0,0|1,0,0]=3 1413 B11R2.36 BrC1=CC2=C(C=C1)OCO2 B68095 [0,1,0,1,0,0|2,0,0]=4 1414 B11R2.36 BrC1=CC2=C(C=CN2)C=C1 B2309 [0,1,0,1,0,0|0,0,2]=4 1415 B11R2.36 BrC1=CN=C2NCCC2=C1 B12242 [0,1,0,1,0,0|1,0,0]=3 1416 B11R2.36 BrC1=CN=C2NCCC2=C1 B30154 [0,1,0,1,0,0|1,0,0]=3 1417 B11R2.36 BrC1=NC2=C(C=C1)NCC2 B45617 [0,1,0,1,0,0|1,0,0]=3 1418 B11R2.36 CC1=CC2=C(C=C1)NC=C2 M2329 [0,1,0,1,0,0|0,0,2]=4 1419 B11R2.36 CC1=CC2=C(C=C1)NCC2 M49974 [0,1,0,1,0,0|0,0,0]=2 1420 B11R2.36 CC1=CC2=C(C=C1)NN=C2 M9605 [0,1,0,1,0,0|1,0,1]=4 1421 B11R2.36 CC1=CC2=C(C=C1)OCO2 M65617 [0,1,0,1,0,0|2,0,0]=4 1422 B11R2.36 CC1=CC2=C(C=CN2)C=C1 M2330 [0,1,0,1,0,0|0,0,2]=4 1423 B11R2.36 ClC1=CC2=C(C=C1)C=NN2 C0137 [0,1,0,1,0,0|1,0,1]=4 1424 B11R2.36 ClC1=CC2=C(C=C1)CC=C2 C39035 [0,1,0,1,0,0|1,0,1]=4 1425 B11R2.36 ClC1=CC2=C(C=C1)CCN2 C48881 [0,1,0,1,0,0|0,0,0]=2 1426 B11R2.36 ClC1=CC2=C(C=C1)CNC2 C48884 [0,1,0,1,0,0|2,0,0]=4 1427 B11R2.36 ClC1=CC2=C(C=C1)N=CN2 C44774 [0,1,0,1,0,0|1,0,1]=4 1428 B11R2.36 ClC1=CC2=C(C=C1)NC=C2 C12131 [0,1,0,1,0,0|0,0,2]=4 1429 B11R2.36 ClC1=CC2=C(C=C1)NN=C2 C9580 [0,1,0,1,0,0|1,0,1]=4 1430 B11R2.36 ClC1=CC2=C(C=C1)NN=N2 C39240 [0,1,0,1,0,0|2,0,0]=4 1431 B11R2.36 ClC1=CC2=C(C=C1)OCC2 C48731 [0,1,0,1,0,0|1,0,0]=3 1432 B11R2.36 ClC1=CC2=C(C=CN2)C=C1 C4679 [0,1,0,1,0,0|0,0,2]=4 1433 B11R2.36 ClC1=CN=C2NCCC2=C1 C45621 [0,1,0,1,0,0|1,0,0]=3 1434 B11R2.36 ClC1=NC2=C(C=C1)CCC2 C48882 [0,1,0,1,0,0|2,0,0]=4 1435 B11R2.36 ClC1=NC2=C(C=N1)CCN2 C37242 [0,1,0,1,0,0|2,0,0]=4 1436 B11R2.36 ClC1=NC=C2CCNC2=C1 C38106 [0,1,0,1,0,0|1,0,0]=3 1437 B11R2.36 FC1=CC2=C(C=C1)C=NN2 F9571 [0,1,0,1,0,0|1,0,1]=4 1438 B11R2.36 FC1=CC2=C(C=C1)CC=C2 F51044 [0,1,0,1,0,0|1,0,1]=4 1439 B11R2.36 FC1=CC2=C(C=C1)CCC2 F51669 [0,1,0,1,0,0|1,0,0]=3 1440 B11R2.36 FC1=CC2=C(C=C1)CNC2 F24902 [0,1,0,1,0,0|2,0,0]=4 1441 B11R2.36 FC1=CC2=C(C=C1)N=NN2 F64515 [0,1,0,1,0,0|2,0,0]=4 1442 B11R2.36 FC1=CC2=C(C=C1)NC=C2 F31500 [0,1,0,1,0,0|0,0,2]=4 1443 B11R2.36 FC1=CC2=C(C=C1)NC=N2 F44797 [0,1,0,1,0,0|1,0,1]=4 1444 B11R2.36 FC1=CC2=C(C=C1)NN=C2 F3439 [0,1,0,1,0,0|1,0,1]=4 1445 B11R2.36 FC1=CC2=C(C=C1)OCC2 F62598 [0,1,0,1,0,0|1,0,0]=3 1446 B11R2.36 FC1=CC2=C(C=CN2)C=C1 F2136 [0,1,0,1,0,0|0,0,2]=4 1447 B11R2.36 IC1=CC2=C(C=C1)C=NN2 I0481 [0,1,0,1,0,0|1,0,1]=4 1448 B11R2.36 IC1=CC2=C(C=C1)CCC2 K64448 [0,1,0,1,0,0|1,0,0]=3 1449 B11R2.36 IC1=CC2=C(C=C1)N=CN2 K44804 [0,1,0,1,0,0|1,0,1]=4 1450 B11R2.36 IC1=CC2=C(C=C1)NC=C2 K47985 [0,1,0,1,0,0|0,0,2]=4 1451 B11R2.36 IC1=CC2=C(C=C1)NN=C2 I0478 [0,1,0,1,0,0|1,0,1]=4 1452 B11R2.36 IC1=CC2=C(C=C1)OCC2 I2714 [0,1,0,1,0,0|1,0,0]=3 1453 B11R2.36 IC1=CC2=C(C=CN2)C=C1 I29514 [0,1,0,1,0,0|0,0,2]=4 1454 B11R2.36 NC1=CC2=C(C=C1)C=NN2 I0488 [0,1,0,1,0,0|1,0,1]=4 1455 B11R2.36 NC1=CC2=C(C=C1)COC2 D49267 [0,1,0,1,0,0|2,0,0]=4 1456 B11R2.36 NC1=CC2=C(C=C1)NN=C2 I9274 [0,1,0,1,0,0|1,0,1]=4 1457 B11R2.36 NC1=CC2=C(C=C1)NN=N2 B15799 [0,1,0,1,0,0|2,0,0]=4 1458 B11R2.36 NC1=CC2=C(C=C1)OCC2 D49263 [0,1,0,1,0,0|1,0,0]=3 1459 B11R2.36 NC1=CC2=C(C=C1)OCO2 M67396 [0,1,0,1,0,0|2,0,0]=4 1460 B11R2.36 NC1=CC2=C(C=CN2)C=C1 A24110 [0,1,0,1,0,0|0,0,2]=4 1461 B11R2.36 OC1=CC2=C(C=C1)C=NN2 H3129 [0,1,0,1,0,0|1,0,1]=4 1462 B11R2.36 OC1=CC2=C(C=C1)CCN2 K49255 [0,1,0,1,0,0|0,0,0]=2 1463 B11R2.36 OC1=CC2=C(C=C1)CCO2 D49068 [0,1,0,1,0,0|1,0,0]=3 1464 B11R2.36 OC1=CC2=C(C=C1)CNC2 D29486 [0,1,0,1,0,0|2,0,0]=4 1465 B11R2.36 OC1=CC2=C(C=C1)NC=C2 F2321 [0,1,0,1,0,0|0,0,2]=4 1466 B11R2.36 OC1=CC2=C(C=C1)NC=N2 B67409 [0,1,0,1,0,0|1,0,1]=4 1467 B11R2.36 OC1=CC2=C(C=C1)NCC2 K49254 [0,1,0,1,0,0|0,0,0]=2 1468 B11R2.36 OC1=CC2=C(C=C1)NN=C2 H3304 [0,1,0,1,0,0|1,0,1]=4 1469 B11R2.36 OC1=CC2=C(C=C1)OCC2 D49067 [0,1,0,1,0,0|1,0,0]=3 1470 B11R2.36 OC1=CC2=C(C=CN2)C=C1 H2141 [0,1,0,1,0,0|0,0,2]=4 1471 B11R2.36 [Mg+]C1=CC2=C(C=C1)OCO2 B31763 [0,1,0,1,0,0|2,0,0]=4 1472 B11R2.10 BrC1=CC2=C(C=CC=C2)C1 B51041 [0,1,0,1,0,0|1,0,1]=4 1473 B11R2.10 BrC1=NC2=C(C=CC=C2)N1 B36657 [0,1,0,1,0,0|1,0,1]=4 1474 B11R2.10 BrC1CC2=C(C=CC=C2)C1 B51667 [0,1,0,1,0,0|1,0,0]=3 1475 B11R2.10 CC1=CC2=C(C=CC=C2)C1 M38071 [0,1,0,1,0,0|1,0,1]=4 1476 B11R2.10 CC1=CC2=C(C=CC=C2)N1 M13893 [0,1,0,1,0,0|0,0,2]=4 1477 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 M13896 [0,1,0,1,0,0|0,0,0]=2 1478 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 M15830 [0,1,0,1,0,0|0,0,0]=2 1479 B11R2.10 C[C@H]1CC2=CC=CN=C2N1 D64809 [0,1,0,1,0,0|1,0,0]=3 1480 B11R2.10 ClC1=CC2=C(C=CC=C2)N1 C47956 [0,1,0,1,0,0|0,0,2]=4 1481 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 C39352 [0,1,0,1,0,0|1,0,1]=4 1482 B11R2.10 IC1=CC2=C(C=CC=C2)N1 K47983 [0,1,0,1,0,0|0,0,2]=4 1483 B11R2.10 NC1=CC2=C(C=CC=C2)S1 B39092 [0,1,0,1,0,0|0,0,2]=4 1484 B11R2.10 NC1=NC2=C(C=CC=C2)N1 K64925 [0,1,0,1,0,0|1,0,1]=4 1485 B11R2.10 NC1=NC2=C(C=CC=C2)O1 B45208 [0,1,0,1,0,0|1,0,1]=4 1486 B11R2.10 O=C1CC2=C(C=CC=C2)C1 K24552 [0,1,0,1,0,0|1,0,1]=4 1487 B11R2.10 O=C1CC2=C(C=CC=N2)N1 D0382 [0,1,0,1,0,0|1,0,1]=4 1488 B11R2.10 O=C1CC2=C(C=CN=C2)N1 D0077 [0,1,0,1,0,0|1,0,1]=4 1489 B11R2.10 O=C1CC2=C(C=NC=C2)N1 D0383 [0,1,0,1,0,0|1,0,1]=4 1490 B11R2.10 O=C1CC2=C(N=CC=C2)N1 D0034 [0,1,0,1,0,0|1,0,1]=4 1491 B11R2.10 O=C1CC2=C(N=CC=C2)N1 D15765 [0,1,0,1,0,0|1,0,1]=4 1492 B11R2.10 O=C1NC2=C(C=CC=C2)N1 H67954 [0,1,0,1,0,0|1,0,1]=4 1493 B11R2.10 OC1CC2=C(C=CC=C2)C1 D67665 [0,1,0,1,0,0|1,0,0]=3 1494 B11R2.10 S=C1NC2=C(C=CC=C2)N1 B69662 [0,1,0,1,0,0|1,0,1]=4 1495 B11R2.10 S=C1NC2=C(C=CC=C2)S1 B69039 [0,1,0,1,0,0|1,0,1]=4 1496 B11R2.20 C1=CC2=C(C=C1)COCC2 C39527 [0,1,0,1,0,0|1,0,0]=3 1497 B11R2.20 C1=CC2=C(C=C1)NCCC2 T37825 [0,1,0,1,0,0|0,0,0]=2 1498 B11R2.20 C1=CC2=C(C=C1)NCCN2 T46643 [0,1,0,1,0,0|0,0,0]=2 1499 B11R2.20 C1=CC2=C(C=C1)OCCC2 D66932 [0,1,0,1,0,0|1,0,0]=3 1500 B11R2.20 C1=CC2=C(C=C1)OCCN2 B67657 [0,1,0,1,0,0|0,0,0]=2 1501 B11R2.20 C1=CC2=C(C=C1)SCCN2 D38749 [0,1,0,1,0,0|0,0,0]=2 1502 B11R2.20 C1=CC2=C(C=N1)CCCC2 T49977 [0,1,0,1,0,0|2,0,0]=4 1503 B11R2.20 C1=CC2=C(C=N1)CCCN2 T13324 [0,1,0,1,0,0|1,0,0]=3 1504 B11R2.20 C1=CC2=C(C=N1)CCNC2 T49657 [0,1,0,1,0,0|1,0,0]=3 1505 B11R2.20 C1=CC2=C(C=N1)CCNC2 T69820 [0,1,0,1,0,0|1,0,0]=3 1506 B11R2.20 C1=CC2=C(C=N1)CNCC2 N14836 [0,1,0,1,0,0|1,0,0]=3 1507 B11R2.20 C1=CC2=C(C=N1)CNCC2 T49489 [0,1,0,1,0,0|1,0,0]=3 1508 B11R2.20 C1=CC2=C(N=C1)NCCO2 D45987 [0,1,0,1,0,0|1,0,0]=3 1509 B11R2.20 C1=CN=C2CCCCC2=C1 T64966 [0,1,0,1,0,0|2,0,0]=4 1510 B11R2.20 C1=CN=C2CCCNC2=C1 T32362 [0,1,0,1,0,0|1,0,0]=3 1511 B11R2.20 C1=CN=C2CCNCC2=C1 T23208 [0,1,0,1,0,0|1,0,0]=3 1512 B11R2.20 C1=CN=C2CCNCC2=C1 T4076 [0,1,0,1,0,0|1,0,0]=3 1513 B11R2.20 C1=CN=C2CCNCC2=C1 T5331 [0,1,0,1,0,0|1,0,0]=3 1514 B11R2.20 C1=CN=C2CNCCC2=C1 T13476 [0,1,0,1,0,0|1,0,0]=3 1515 B11R2.20 C1=CN=C2CNCCC2=C1 T18760 [0,1,0,1,0,0|1,0,0]=3 1516 B11R2.20 C1=CN=C2CNCCC2=C1 T23221 [0,1,0,1,0,0|1,0,0]=3 1517 B11R2.20 C1=CN=C2NCCCC2=C1 T37326 [0,1,0,1,0,0|1,0,0]=3 1518 B11R2.20 C1=CN=C2NCCNC2=C1 T46338 [0,1,0,1,0,0|1,0,0]=3 1519 B11R2.20 C1=CN=C2OCCNC2=C1 D13943 [0,1,0,1,0,0|1,0,0]=3 1520 B11R2.20 C1=CN=C2OCCOC2=C1 D32153 [0,1,0,1,0,0|2,0,0]=4 1521 B11R2.20 C1=NC=C2CCNCC2=N1 T11295 [0,1,0,1,0,0|2,0,0]=4 1522 B11R2.20 C1=NC=C2CNCCC2=N1 T11293 [0,1,0,1,0,0|2,0,0]=4 1523 B11R2.20 C1=NC=C2CNCCC2=N1 T1801 [0,1,0,1,0,0|2,0,0]=4 1524 B11R2.20 C1=NC=C2CNCCC2=N1 T5337 [0,1,0,1,0,0|2,0,0]=4 1525 B11R2.55 BrC1=C(C2CC2)N=CC=C1 B48876 [0,1,0,1,0,0|2,0,0]=4 1526 B11R2.55 BrC1=NC=CC=C1C2CC2 B48874 [0,1,0,1,0,0|2,0,0]=4 1527 B11R2.55 ClC1=C(C2CC2)C=NC=C1 C48885 [0,1,0,1,0,0|2,0,0]=4 1528 B11R2.55 ClC1=NC=CC=C1C2CC2 C48880 [0,1,0,1,0,0|2,0,0]=4 1529 B11R2.55 FC1=NC=CC=C1C2CC2 C48886 [0,1,0,1,0,0|2,0,0]=4 1530 B11R2.55 NC1=C(C2CC2)C=CC=C1 C37591 [0,1,0,1,0,0|1,0,0]=3 1531 B11R2.55 NC1=NC=CC=C1C2CC2 C46639 [0,1,0,1,0,0|2,0,0]=4 1532 B11R2.55 O=C1NC=CC=C1C2CC2 C49264 [0,1,0,1,0,0|2,0,0]=4 1533 B11R2.106 BrC1=C2C=CNC2=CC=C1 B2073 [0,1,0,1,0,0|0,0,2]=4 1534 B11R2.106 BrC1=C2C=NNC2=CC=C1 B4874 [0,1,0,1,0,0|1,0,1]=4 1535 B11R2.106 BrC1=C2CC=CC2=CC=C1 B38249 [0,1,0,1,0,0|1,0,1]=4 1536 B11R2.106 BrC1=C2CCCC2=CC=C1 B10979 [0,1,0,1,0,0|1,0,0]=3 1537 B11R2.106 BrC1=C2CCNC2=CC=C1 B48872 [0,1,0,1,0,0|0,0,0]=2 1538 B11R2.106 BrC1=C2CCNC2=CN=C1 B60365 [0,1,0,1,0,0|1,0,0]=3 1539 B11R2.106 BrC1=C2CCNC2=NC=C1 B19352 [0,1,0,1,0,0|1,0,0]=3 1540 B11R2.106 BrC1=C2CNCC2=CC=C1 B5333 [0,1,0,1,0,0|2,0,0]=4 1541 B11R2.106 BrC1=C2COCC2=CC=C1 B19438 [0,1,0,1,0,0|2,0,0]=4 1542 B11R2.106 BrC1=C2N=CNC2=CC=C1 B25582 [0,1,0,1,0,0|1,0,1]=4 1543 B11R2.106 BrC1=C2NC=CC2=CC=C1 B2281 [0,1,0,1,0,0|0,0,2]=4 1544 B11R2.106 BrC1=C2NCCC2=CN=C1 B8070 [0,1,0,1,0,0|1,0,0]=3 1545 B11R2.106 BrC1=C2NN=CC2=CC=C1 B4875 [0,1,0,1,0,0|1,0,1]=4 1546 B11R2.106 BrC1=C2NN=NC2=CC=C1 B16359 [0,1,0,1,0,0|2,0,0]=4 1547 B11R2.106 BrC1=C2OCCC2=CC=C1 B22264 [0,1,0,1,0,0|1,0,0]=3 1548 B11R2.106 BrC1=C2OCOC2=CC=C1 B24818 [0,1,0,1,0,0|2,0,0]=4 1549 B11R2.106 CC1=C2CCCC2=CC=C1 M52674 [0,1,0,1,0,0|1,0,0]=3 1550 B11R2.106 CC1=C2NC=CC2=CC=C1 M2101 [0,1,0,1,0,0|0,0,2]=4 1551 B11R2.106 CC1=CC=CC2=C1C=CN2 M2328 [0,1,0,1,0,0|0,0,2]=4 1552 B11R2.106 CC1=CC=CC2=C1C=NN2 M9759 [0,1,0,1,0,0|1,0,1]=4 1553 B11R2.106 CC1=CC=CC2=C1NC=N2 M48788 [0,1,0,1,0,0|1,0,1]=4 1554 B11R2.106 CC1=CC=CC2=C1NN=C2 M9828 [0,1,0,1,0,0|1,0,1]=4 1555 B11R2.106 ClC1=C2C=CNC2=CC=C1 C2290 [0,1,0,1,0,0|0,0,2]=4 1556 B11R2.106 ClC1=C2C=NNC2=CC=C1 C9583 [0,1,0,1,0,0|1,0,1]=4 1557 B11R2.106 ClC1=C2CC=CC2=CC=C1 C51042 [0,1,0,1,0,0|1,0,1]=4 1558 B11R2.106 ClC1=C2CCCC2=NC=C1 C48883 [0,1,0,1,0,0|2,0,0]=4 1559 B11R2.106 ClC1=C2CCNC2=CC=C1 C48879 [0,1,0,1,0,0|0,0,0]=2 1560 B11R2.106 ClC1=C2CCNC2=NC=C1 C30162 [0,1,0,1,0,0|1,0,0]=3 1561 B11R2.106 ClC1=C2CNCC2=CC=C1 C36885 [0,1,0,1,0,0|2,0,0]=4 1562 B11R2.106 ClC1=C2NC=CC2=CC=C1 C24142 [0,1,0,1,0,0|0,0,2]=4 1563 B11R2.106 ClC1=C2NC=NC2=CC=C1 C44775 [0,1,0,1,0,0|1,0,1]=4 1564 B11R2.106 ClC1=C2NN=CC2=CC=C1 C4910 [0,1,0,1,0,0|1,0,1]=4 1565 B11R2.106 ClC1=C2NN=NC2=CC=C1 C42159 [0,1,0,1,0,0|2,0,0]=4 1566 B11R2.106 ClC1=NC=CC2=C1CCN2 C14624 [0,1,0,1,0,0|1,0,0]=3 1567 B11R2.106 ClC1=NC=CC2=C1CCN2 C5708 [0,1,0,1,0,0|1,0,0]=3 1568 B11R2.106 ClC1=NC=NC2=C1CCN2 C20810 [0,1,0,1,0,0|2,0,0]=4 1569 B11R2.106 FC1=C2C=CNC2=CC=C1 F3191 [0,1,0,1,0,0|0,0,2]=4 1570 B11R2.106 FC1=C2C=NNC2=CC=C1 B5804 [0,1,0,1,0,0|1,0,1]=4 1571 B11R2.106 FC1=C2CCOC2=NC=C1 F30045 [0,1,0,1,0,0|2,0,0]=4 1572 B11R2.106 FC1=C2CNCC2=CC=C1 F37051 [0,1,0,1,0,0|2,0,0]=4 1573 B11R2.106 FC1=C2NC=CC2=CC=C1 F8169 [0,1,0,1,0,0|0,0,2]=4 1574 B11R2.106 FC1=C2NCCC2=CC=C1 F49614 [0,1,0,1,0,0|0,0,0]=2 1575 B11R2.106 FC1=C2NN=CC2=CC=C1 F6132 [0,1,0,1,0,0|1,0,1]=4 1576 B11R2.106 IC1=C2C=CNC2=CC=C1 K47984 [0,1,0,1,0,0|0,0,2]=4 1577 B11R2.106 IC1=C2C=NNC2=CC=C1 I12248 [0,1,0,1,0,0|1,0,1]=4 1578 B11R2.106 IC1=C2CCCC2=CC=C1 K51671 [0,1,0,1,0,0|1,0,0]=3 1579 B11R2.106 IC1=C2NN=CC2=CC=C1 I12807 [0,1,0,1,0,0|1,0,1]=4 1580 B11R2.106 IC1=C2OCOC2=CC=C1 K45104 [0,1,0,1,0,0|2,0,0]=4 1581 B11R2.106 NC1=C2OCCC2=CC=C1 A64522 [0,1,0,1,0,0|1,0,0]=3 1582 B11R2.106 NC1=C2OCOC2=CC=C1 B45818 [0,1,0,1,0,0|2,0,0]=4 1583 B11R2.106 NC1=CC=CC2=C1C=CN2 A24052 [0,1,0,1,0,0|0,0,2]=4 1584 B11R2.106 NC1=CC=CC2=C1C=NN2 A5405 [0,1,0,1,0,0|1,0,1]=4 1585 B11R2.106 NC1=CC=CC2=C1CCN2 K46638 [0,1,0,1,0,0|0,0,0]=2 1586 B11R2.106 NC1=CC=CC2=C1CCO2 A12891 [0,1,0,1,0,0|1,0,0]=3 1587 B11R2.106 NC1=CC=CC2=C1CNC2 K49654 [0,1,0,1,0,0|2,0,0]=4 1588 B11R2.106 NC1=CC=CC2=C1NC=N2 B23667 [0,1,0,1,0,0|1,0,1]=4 1589 B11R2.106 NC1=CC=CC2=C1NN=C2 I0487 [0,1,0,1,0,0|1,0,1]=4 1590 B11R2.106 O=C1C=CC=C2NCCN12 D45988 [0,1,0,1,0,0|1,0,0]=3 1591 B11R2.106 OC1=C2C=CNC2=CC=C1 F2313 [0,1,0,1,0,0|0,0,2]=4 1592 B11R2.106 OC1=C2C=NNC2=CC=C1 H3303 [0,1,0,1,0,0|1,0,1]=4 1593 B11R2.106 OC1=C2CCCC2=CC=C1 K49868 [0,1,0,1,0,0|1,0,0]=3 1594 B11R2.106 OC1=C2CCNC2=NC=C1 D62930 [0,1,0,1,0,0|1,0,0]=3 1595 B11R2.106 OC1=C2CNCC2=CC=C1 K49644 [0,1,0,1,0,0|2,0,0]=4 1596 B11R2.106 OC1=C2N=CNC2=CC=C1 B45210 [0,1,0,1,0,0|1,0,1]=4 1597 B11R2.106 OC1=C2NN=CC2=CC=C1 K9570 [0,1,0,1,0,0|1,0,1]=4 1598 B11R2.106 OC1=C2NN=NC2=CC=C1 B62192 [0,1,0,1,0,0|2,0,0]=4 1599 B11R2.106 OC1=C2OCOC2=CC=C1 B24932 [0,1,0,1,0,0|2,0,0]=4 1600 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 B49879 [0,1,0,1,0,0|1,0,0]=3 1601 B11R2.35 BrC1=CC(C2CC2)=CC=C1 B67707 [0,1,0,1,0,0|1,0,0]=3 1602 B11R2.35 BrC1=CC(C2CC2)=NC=C1 B37241 [0,1,0,1,0,0|2,0,0]=4 1603 B11R2.35 BrC1=CN=CC(C2CC2)=C1 B37616 [0,1,0,1,0,0|2,0,0]=4 1604 B11R2.35 ClC1=NC=CC(C2CC2)=C1 C21734 [0,1,0,1,0,0|2,0,0]=4 1605 B11R2.35 NC1=CC(C2CC2)=CC=C1 C49975 [0,1,0,1,0,0|1,0,0]=3 1606 B11R2.35 NC1=CC(C2CC2)=CN=C1 C46641 [0,1,0,1,0,0|2,0,0]=4 1607 B11R2.1 BrC1=NNC2=C1C=CC=C2 B0436 [0,1,0,1,0,0|1,0,1]=4 1608 B11R2.1 CC1=CCC2=C1C=CC=C2 M52270 [0,1,0,1,0,0|1,0,1]=4 1609 B11R2.1 CC1=CNC2=C1C=CC=C2 M13894 [0,1,0,1,0,0|0,0,2]=4 1610 B11R2.1 CC1=NNC2=C1C=CC=C2 M1829 [0,1,0,1,0,0|1,0,1]=4 1611 B11R2.1 CN1C=CC2=C1C=CC=C2 M68120 [0,1,0,1,0,0|0,0,2]=4 1612 B11R2.1 CN1C=NC2=C1C=CC=C2 M48776 [0,1,0,1,0,0|1,0,1]=4 1613 B11R2.1 CN1N=CC2=C1C=CC=C2 M14463 [0,1,0,1,0,0|1,0,1]=4 1614 B11R2.1 ClC1=NNC2=C1C=CC=C2 C44767 [0,1,0,1,0,0|1,0,1]=4 1615 B11R2.1 ClN1N=NC2=C1C=CC=C2 C5012 [0,1,0,1,0,0|2,0,0]=4 1616 B11R2.1 FC1=NNC2=C1C=CC=C2 F39022 [0,1,0,1,0,0|1,0,1]=4 1617 B11R2.1 IC1=NNC2=C1C=CC=C2 X9686 [0,1,0,1,0,0|1,0,1]=4 1618 B11R2.1 NC1=NCC2=C1C=CC=C2 K49609 [0,1,0,1,0,0|0,0,1]=3 1619 B11R2.1 NC1=NCC2=C1C=CC=C2 K64548 [0,1,0,1,0,0|0,0,1]=3 1620 B11R2.1 NC1=NOC2=C1C=CC=C2 B45214 [0,1,0,1,0,0|1,0,1]=4 1621 B11R2.1 NC1=NSC2=C1C=CC=C2 B69175 [0,1,0,1,0,0|1,0,1]=4 1622 B11R2.1 NN1C=CC2=C1C=CC=C2 K64885 [0,1,0,1,0,0|0,0,2]=4 1623 B11R2.1 NN1N=CC2=C1C=CC=C2 K45720 [0,1,0,1,0,0|1,0,1]=4 1624 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 D37063 [0,1,0,1,0,0|0,0,0]=2 1625 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52091 [0,1,0,1,0,0|0,0,0]=2 1626 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52092 [0,1,0,1,0,0|0,0,0]=2 1627 B11R2.1 N[C@H]1CCC2=CC=CN=C21 D49490 [0,1,0,1,0,0|1,0,0]=3 1628 B11R2.1 N[C@H]1COC2=NC=CC=C21 D64566 [0,1,0,1,0,0|1,0,0]=3 1629 B11R2.1 O=C1CCC2=C1C=CC=N2 D5364 [0,1,0,1,0,0|2,0,0]=4 1630 B11R2.1 O=C1CCC2=C1C=CN=C2 C23220 [0,1,0,1,0,0|2,0,0]=4 1631 B11R2.1 O=C1CCC2=C1C=NC=C2 C24049 [0,1,0,1,0,0|2,0,0]=4 1632 B11R2.1 O=C1CCC2=CC=CN=C12 C48452 [0,1,0,1,0,0|2,0,0]=4 1633 B11R2.1 O=C1NCC2=C1C=CC=C2 I12007 [0,1,0,1,0,0|1,0,1]=4 1634 B11R2.1 OB1OCC2=C1C=CC=C2 H3680 [0,1,0,1,0,0|2,0,0]=4 1635 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 D68576 [0,1,0,1,0,0|1,0,0]=3 1636 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D60804 [0,1,0,1,0,0|1,0,0]=3 1637 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D68574 [0,1,0,1,0,0|1,0,0]=3 1638 B11R2.1 O[C@H]1CCC2=CC=CN=C21 D67550 [0,1,0,1,0,0|2,0,0]=4 1639 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 P22144 [0,1,0,1,0,0|0,0,0]=2 1640 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P24205 [0,1,0,1,0,0|0,0,0]=2 1641 B11R2.40 NC1(C2=CC=CC=C2)CC1 P64329 [0,1,0,1,0,0|1,0,0]=3 1642 B11R2.40 NC1(C2=CC=CN=C2)CC1 P49656 [0,1,0,1,0,0|2,0,0]=4 1643 B11R2.40 NC1(C2=CC=NC=C2)CC1 P8762 [0,1,0,1,0,0|2,0,0]=4 1644 B11R2.40 NC1(C2=NC=CC=C2)CC1 P61647 [0,1,0,1,0,0|2,0,0]=4 1645 B11R2.239 C1=CN=C(C2CNC2)C=N1 A46337 [0,1,0,1,0,0|2,0,0]=4 1646 B11R2.239 C1=CN=CC(C2CNC2)=C1 A49655 [0,1,0,1,0,0|1,0,0]=3 1647 B7R1.1 BrCC1=CSC=C1 B60823 [1,0,0,0,1,0|2,0,0]=4 1648 B7R1.1 CCC1=NC=CN1 E68629 [1,0,0,0,1,0|2,0,0]=4 1649 B7R1.1 COC1=CC=CS1 M41123 [1,0,0,0,1,0|2,0,0]=4 1650 B7R1.1 COC1=CSC=C1 M41124 [1,0,0,0,1,0|2,0,0]=4 1651 B7R1.1 NCC1=CC=CN1 P41359 [1,0,0,0,1,0|1,0,0]=3 1652 B7R1.1 NCC1=CC=CS1 A12813 [1,0,0,0,1,0|1,0,0]=3 1653 B7R1.1 NCC1=CC=NO1 K40323 [1,0,0,0,1,0|2,0,0]=4 1654 B7R1.1 NCC1=CN=CN1 A69377 [1,0,0,0,1,0|2,0,0]=4 1655 B7R1.1 NCC1=CN=CO1 X11178 [1,0,0,0,1,0|2,0,0]=4 1656 B7R1.1 NCC1=CN=CO1 X17340 [1,0,0,0,1,0|2,0,0]=4 1657 B7R1.1 NCC1=CN=CS1 T11225 [1,0,0,0,1,0|2,0,0]=4 1658 B7R1.1 NCC1=CN=CS1 T37607 [1,0,0,0,1,0|2,0,0]=4 1659 B7R1.1 NCC1=CN=CS1 T40190 [1,0,0,0,1,0|2,0,0]=4 1660 B7R1.1 NCC1=CNC=C1 P26218 [1,0,0,0,1,0|1,0,0]=3 1661 B7R1.1 NCC1=CNC=N1 K40332 [1,0,0,0,1,0|2,0,0]=4 1662 B7R1.1 NCC1=CNN=C1 A10475 [1,0,0,0,1,0|2,0,0]=4 1663 B7R1.1 NCC1=CNN=C1 P17334 [1,0,0,0,1,0|2,0,0]=4 1664 B7R1.1 NCC1=CNN=C1 P20267 [1,0,0,0,1,0|2,0,0]=4 1665 B7R1.1 NCC1=COC=N1 A40322 [1,0,0,0,1,0|2,0,0]=4 1666 B7R1.1 NCC1=COC=N1 O7924 [1,0,0,0,1,0|2,0,0]=4 1667 B7R1.1 NCC1=COC=N1 X11296 [1,0,0,0,1,0|2,0,0]=4 1668 B7R1.1 NCC1=CON=C1 A14706 [1,0,0,0,1,0|2,0,0]=4 1669 B7R1.1 NCC1=CON=C1 I29534 [1,0,0,0,1,0|2,0,0]=4 1670 B7R1.1 NCC1=CSC=C1 T41357 [1,0,0,0,1,0|1,0,0]=3 1671 B7R1.1 NCC1=CSC=N1 T13924 [1,0,0,0,1,0|2,0,0]=4 1672 B7R1.1 NCC1=CSC=N1 T29521 [1,0,0,0,1,0|2,0,0]=4 1673 B7R1.1 NCC1=NC=CN1 A14237 [1,0,0,0,1,0|2,0,0]=4 1674 B7R1.1 NCC1=NC=CN1 K40331 [1,0,0,0,1,0|2,0,0]=4 1675 B7R1.1 NCC1=NC=CS1 A11223 [1,0,0,0,1,0|2,0,0]=4 1676 B7R1.1 NCC1=NC=CS1 T11224 [1,0,0,0,1,0|2,0,0]=4 1677 B7R1.1 NCC1=NC=CS1 T24256 [1,0,0,0,1,0|2,0,0]=4 1678 B7R1.1 NCC1=NNC=C1 P9792 [1,0,0,0,1,0|2,0,0]=4 1679 B7R1.1 NCC1=NOC=C1 I29536 [1,0,0,0,1,0|2,0,0]=4 1680 B7R1.1 NCC1=NOC=C1 I7943 [1,0,0,0,1,0|2,0,0]=4 1681 B7R1.1 NCC1=NSC=C1 I15218 [1,0,0,0,1,0|2,0,0]=4 1682 B7R1.1 OCC1=CC=CS1 T12815 [1,0,0,0,1,0|2,0,0]=4 1683 B7R1.1 OCC1=COC=C1 F41115 [1,0,0,0,1,0|2,0,0]=4 1684 B7R1.1 OCC1=CSC=C1 T12827 [1,0,0,0,1,0|2,0,0]=4