0 B10R1.10 C#CCC1=CC=CC(Cl)=C1 D75648 [0,0,0,0,0,0|1,1,1]=3 1 B10R1.10 CCNC1=CC=CC(Br)=N1 D77162 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.10 COCC1=NC=CC(N)=C1 P20443 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.10 NC1=CC(CCO)=NC=C1 AC2677 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.10 NC1=NC=CC(CCO)=C1 AT18203 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.10 NCCC1=CC(=O)NC=C1 C73270 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.2 BrCC1=NC=CC(Br)=C1 AT15450 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.2 CC1=CC(CBr)=NC=C1 AC9733 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.2 CC1=CN=CC(CN)=N1 C91463 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.2 CC1=CN=NC(CN)=C1 F30454 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.2 CCC1=CN=NC(N)=C1 S11510 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.2 ClCC1=CC(Cl)=CN=C1 H10969 [1,0,0,0,0,0|2,1,0]=4 12 B9R1.2 FC1=CC(CBr)=NC=C1 AC8274 [1,0,0,0,0,0|2,1,0]=4 13 B9R1.2 NCC1=CC=NC(N)=N1 AC7326 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.2 NCC1=CC=NC(N)=N1 AT21781 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.2 NCC1=NC(=O)NC=C1 P13759 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.2 NCC1=NC=CC(Cl)=N1 P19988 [1,0,0,0,0,0|2,1,0]=4 17 B9R1.2 NCC1=NC=CC(F)=C1 N13372 [1,0,0,0,0,0|1,1,0]=3 18 B9R1.2 NCC1=NC=CC(O)=C1 79355 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.8 CCOC1=CN=CC=C1 F31361 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.8 ClCCC1=CN=CC=C1 D87792 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.8 I\C=C/C1=CC=CC=C1 AT23642 [1,0,0,0,0,0|1,0,2]=4 22 B9R1.8 NNCC1=CC=CN=N1 P13290 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.8 NNCC1=CN=NC=C1 P12938 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.8 NNCC1=NC=CC=N1 P11941 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.8 OCCC1=NC=NC=C1 20262 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.8 SCCC1=CN=CC=C1 F18092 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.23 CC[C@H](C)C1=CC=CC(N)=N1 AT24915 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 F13059 [0,1,0,0,0,0|1,1,0]=3 29 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 F13081 [0,1,0,0,0,0|1,1,0]=3 30 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 E72733 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 E72741 [0,1,0,0,0,0|2,1,0]=4 32 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 E72742 [0,1,0,0,0,0|2,1,0]=4 33 B11R1.23 C[C@H](C#N)C1=CC=CC(Br)=C1 AT16528 [0,1,0,0,0,0|0,0,2]=3 34 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 Y10333 [0,1,0,0,0,0|0,1,0]=2 35 B11R1.23 N[C@@H](CF)C1=CC=CC(Cl)=C1 N14612 [0,1,0,0,0,0|1,1,0]=3 36 B11R1.23 N[C@@H](CO)C1=CC=CC(I)=C1 P12330 [0,1,0,0,0,0|1,1,0]=3 37 B11R1.23 N[C@@H](CO)C1=CC=CC(O)=C1 F16868 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.23 O[C@@H](CF)C1=CC=CC(Cl)=C1 AT24264 [0,1,0,0,0,0|1,1,0]=3 39 B11R1.24 C#CCCC1=CC=CC(Cl)=C1 D75653 [0,1,0,0,0,0|1,1,0]=3 40 B11R1.24 COCOC1=CC=CC(Br)=C1 C11085 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.24 OCC#CC1=CC(Br)=CN=C1 AT22615 [0,1,0,0,0,0|2,0,1]=4 42 B11R1.34 CC1=CC(Br)=CC(CC#N)=C1 AT16549 [0,1,0,0,0,0|0,0,2]=3 43 B11R1.157 CC(=O)CC1=CC(N)=CC=C1 D75584 [0,1,0,0,0,0|2,0,1]=4 44 B11R1.157 C[C@H](N)CC1=CC=CC(Cl)=C1 D96441 [0,1,0,0,0,0|0,1,0]=2 45 B11R1.182 C=CCC1=C(O)C=CC(Cl)=C1 D73872 [0,1,0,0,0,0|1,1,1]=4 46 B11R1.182 CC1=C(CCN)C=C(Cl)C=C1 AT13430 [0,1,0,0,0,0|0,1,0]=2 47 B11R1.182 CCCN1C=C(N)C=CC1=O AT19281 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.182 N#CCC1=C(F)C=CC(O)=C1 AC9338 [0,1,0,0,0,0|1,0,2]=4 49 B11R1.182 N#CCC1=C(I)C=CC(Br)=C1 AT16623 [0,1,0,0,0,0|0,0,2]=3 50 B11R1.189 C#CCC1=CC=CC(OC)=C1 D75650 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.189 COC1=NC(CCN)=CC=C1 D77536 [0,1,0,0,0,0|2,0,0]=3 52 B11R2.35 BrC1=NC(C2CC2)=CC=N1 AT21510 [0,0,0,1,0,0|3,0,0]=4 53 B11R2.35 ClC1=NC(C2CC2)=CC=C1 AT12437 [0,0,0,1,0,0|2,1,0]=4 54 B11R2.35 FC1=CC(C2CC2)=NC=C1 AT11496 [0,0,0,1,0,0|2,1,0]=4 55 B11R2.36 BrC1=CC2=C(C=C1)C=NS2 O11556 [0,0,0,1,0,0|3,0,0]=4 56 B11R2.36 BrC1=CN=C2CNCC2=C1 38862 [0,0,0,1,0,0|3,0,0]=4 57 B11R2.36 BrC1=CN=C2COCC2=C1 AT20344 [0,0,0,1,0,0|3,0,0]=4 58 B11R2.36 BrC1=NC2=C(C=C1)OCO2 AC9526 [0,0,0,1,0,0|3,0,0]=4 59 B11R2.36 BrC1=NC2=C(C=N1)CCC2 AC9604 [0,0,0,1,0,0|3,0,0]=4 60 B11R2.36 BrC1=NC=C2CNCC2=C1 P19418 [0,0,0,1,0,0|3,0,0]=4 61 B11R2.36 ClC1=CN=C2CCCC2=C1 85958 [0,0,0,1,0,0|2,1,0]=4 62 B11R2.36 ClC1=NN=C2NCCC2=C1 93645 [0,0,0,1,0,0|2,1,0]=4 63 B11R2.36 OC1=CN=C2NCCC2=C1 AC9486 [0,0,0,1,0,0|2,0,0]=3 64 B11R2.106 BrC1=C2CNCC2=NC=C1 P19420 [0,0,0,1,0,0|3,0,0]=4 65 B11R2.106 BrC1=C2NCCC2=CN=C1 38739 [0,0,0,1,0,0|1,0,0]=2 66 B11R2.106 BrC1=NC=NC2=C1CCC2 AC9445 [0,0,0,1,0,0|3,0,0]=4 67 B11R2.106 CC1=C2NCCC2=NC=C1 AT24225 [0,0,0,1,0,0|2,0,0]=3 68 B11R2.106 IC1=C2CCNC2=CC=C1 F13717 [0,0,0,1,0,0|2,1,0]=4 69 B11R2.106 O=C1C=CC=C2CCCN12 AT22965 [0,0,0,1,0,0|3,0,0]=4 70 B11R2.468 O=C1CC2=CC=CC(Br)=C12 AT20401 [0,0,0,1,0,0|1,0,1]=3 71 B9R1.7 CC1=NC=C(CCN)O1 AT18732 [0,0,0,0,1,0|3,0,0]=4 72 B9R1.7 NCCC1=CC(O)=NO1 AT21056 [0,0,0,0,1,0|3,0,0]=4 73 B9R1.7 NNCC1=CSC(Cl)=C1 P13359 [0,0,0,0,1,0|2,1,0]=4 74 B9R1.7 OCCC1=CSC(Br)=N1 C11083 [0,0,0,0,1,0|3,0,0]=4 75 B9R1.7 OCCC1=CSC(Cl)=C1 AT10864 [0,0,0,0,1,0|2,1,0]=4 76 B8R1.2 CCC1=NC=CC=N1 D86044 [2,0,0,0,0,0|2,0,0]=4 77 B8R1.2 C[13CH2]C1=CC=CC=C1 D98792 [2,0,0,0,0,0|0,0,0]=2 78 B8R1.2 NCC1=CN=NC=C1 F10917 [2,0,0,0,0,0|2,0,0]=4 79 B8R1.4 CC1=CC(I)=CN=C1 D76269 [2,0,0,0,0,0|1,1,0]=4 80 B8R1.4 NC1=CC(Br)=NN=C1 D76213 [2,0,0,0,0,0|2,0,0]=4 81 B8R1.4 NC1=CC=CC([15NH2])=C1 41470 [2,0,0,0,0,0|1,0,0]=3 82 B8R1.4 O=C1C=C(Br)C=CO1 A10539 [2,0,0,0,0,0|2,0,0]=4 83 B10R1.2 CCC1=C(C)C(C)=CC=C1 T73080 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.2 CCC1=CN=CC(F)=C1N 93261 [1,1,0,0,0,0|1,1,0]=4 85 B10R1.2 CCN1C=CC=C(O)C1=O AT19248 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.2 NCC1=CC=CC(F)=C1O D85259 [1,1,0,0,0,0|0,1,0]=3 87 B10R1.2 NCC1=NC=CC(Cl)=C1Cl AT13887 [1,1,0,0,0,0|1,1,0]=4 88 B10R1.2 NCC1=NC=CC(Cl)=C1F AC3524 [1,1,0,0,0,0|1,1,0]=4 89 B10R1.2 NCC1=NC=CC(Cl)=C1F AT22978 [1,1,0,0,0,0|1,1,0]=4 90 B10R1.2 NNC1=CC=CC(F)=C1Br AT23940 [1,1,0,0,0,0|1,1,0]=4 91 B10R1.2 OCC1=CN=CC(Br)=C1Br AT15999 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.8 C#CC1=CC(Br)=CC(Cl)=C1 AT26744 [1,1,0,0,0,0|0,0,2]=4 93 B10R1.8 CCC1=CC(C)=CC(C)=C1 T73084 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.8 COC1=CC(Br)=CC(F)=N1 W18470 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.30 CC1=NC(CN)=C(Br)C=C1 AT24005 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.30 CC1=NC(CN)=C(Br)C=C1 AT24006 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.30 CCC1=C(Br)C=CC(N)=N1 AT24914 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.30 CSC1=C(C)C=CC(N)=C1 AT20855 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.30 CSC1=C(F)C=CC(Br)=C1 E72635 [1,1,0,0,0,0|1,0,0]=3 100 B10R1.30 CSC1=C(O)C=CC(F)=C1 C11142 [1,1,0,0,0,0|1,1,0]=4 101 B10R1.30 NCC1=C(Br)C=CC(Cl)=N1 C90983 [1,1,0,0,0,0|1,1,0]=4 102 B10R1.30 NCC1=CC(Br)=CN=C1Cl AT10812 [1,1,0,0,0,0|1,0,0]=3 103 B10R1.113 CC1=CC=CC([C@H](C)N)=N1 D75135 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 D96342 [1,1,0,0,0,0|1,1,0]=4 105 B10R1.113 C[C@H](N)C1=CC(O)=NC=C1 N13197 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 D96341 [1,1,0,0,0,0|1,1,0]=4 107 B10R1.113 C[C@H](N)C1=CC=CC(N)=N1 D96323 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.113 C[C@H](O)C1=CC(F)=NC=C1 AT10688 [1,1,0,0,0,0|1,1,0]=4 109 B10R1.172 BrCC1=CC(CBr)=NC=C1 D88194 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.172 CCC1=CC=CC(CBr)=N1 P20680 [1,1,0,0,0,0|1,0,0]=3 111 B10R1.172 CCC1=CN=CC(CN)=C1 AT26760 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.172 CNC1=CC=CC(CO)=C1 AT21038 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.172 COC1=NC=CC(CBr)=C1 C71690 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.172 [C-]#[N+]C1=CC=CC(OC)=C1 AC9601 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.176 C#CC1=CC(Br)=C(Br)C=C1 AT26841 [1,1,0,0,0,0|0,0,2]=4 116 B10R1.176 C#CC1=CC(Br)=C(Cl)C=C1 AT26819 [1,1,0,0,0,0|0,0,2]=4 117 B10R1.176 CC1=C(Br)C=C(CN)C=C1 AC7764 [1,1,0,0,0,0|0,0,0]=2 118 B10R1.176 CCC1=CC(C)=C(Br)C=N1 AT24017 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.176 COC1=CC(Br)=C(N)C=N1 AT16300 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.176 COC1=CC(I)=C(F)C=C1 79389 [1,1,0,0,0,0|1,1,0]=4 121 B10R1.176 CSC1=CC(Br)=C(O)C=C1 C14584 [1,1,0,0,0,0|1,0,0]=3 122 B10R1.176 CSC1=CC(N)=C(N)C=C1 AT20962 [1,1,0,0,0,0|2,0,0]=4 123 B10R1.176 NCC1=CC(Br)=C(Cl)N=C1 79251 [1,1,0,0,0,0|1,0,0]=3 124 B10R1.176 NCC1=CC(Br)=C(I)C=C1 AT26930 [1,1,0,0,0,0|0,0,0]=2 125 B10R1.176 NCC1=CC(Cl)=C(O)N=C1 79293 [1,1,0,0,0,0|1,1,0]=4 126 B10R1.176 OCC1=CC(Br)=C(F)C=N1 D73852 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.176 OCC1=CC(Br)=C(I)C=C1 AT26048 [1,1,0,0,0,0|1,0,0]=3 128 B10R1.176 OCC1=CC(Cl)=C(O)C=C1 D88156 [1,1,0,0,0,0|1,1,0]=4 129 B10R1.176 OCC1=CC=C(F)C(Br)=N1 54868 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.1 C#CCC1=CC=C(Cl)C=C1 D75642 [1,1,0,0,0,0|1,0,1]=4 131 B10R1.1 NCCC1=CNC(=O)C=C1 FD7157 [1,1,0,0,0,0|1,0,0]=3 132 B10R1.1 NCCC1=CNC(=O)N=C1 AT18222 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.4 OCCC1=C(Br)C=NC=C1 AT12936 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.4 OCCC1=C(Br)C=NC=C1 D77127 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.15 C#C[C@@H](C)C1=CC=CC=C1 C12342 [1,1,0,0,0,0|1,0,1]=4 136 B10R1.15 C[C@@H](CO)C1=NC=CC=C1 AT23842 [1,1,0,0,0,0|2,0,0]=4 137 B10R1.15 C[C@H](ON)C1=CC=CC=C1 D74249 [1,1,0,0,0,0|1,0,0]=3 138 B10R1.15 NC[C@H](F)C1=CC=CC=C1 E72838 [1,1,0,0,0,0|0,0,0]=2 139 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 72623 [1,1,0,0,0,0|1,0,0]=3 140 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 AC4819 [1,1,0,0,0,0|1,0,0]=3 141 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 W11733 [1,1,0,0,0,0|1,0,0]=3 142 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 W11734 [1,1,0,0,0,0|1,0,0]=3 143 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 N14219 [1,1,0,0,0,0|2,0,0]=4 144 B10R1.17 ICCCC1=CN=CC=C1 E70092 [1,1,0,0,0,0|2,0,0]=4 145 B10R1.17 NCCCC1=CN=CN=C1 F52410 [1,1,0,0,0,0|2,0,0]=4 146 B10R1.18 O=C(O)CC1=CC=CC=C1 AT24078 [1,1,0,0,0,0|1,0,1]=4 147 B10R1.149 CN1C=CC=C1[C@@H](O)CN D86014 [0,1,0,0,1,0|2,0,0]=4 148 B12R1.25 FC1=CC=CC(OCCBr)=C1F AT22369 [0,2,0,0,0,0|1,1,0]=4 149 B12R1.224 CC1=C(Br)C=CC=C1C[C@H](C)N AT22881 [0,2,0,0,0,0|0,0,0]=2 150 B12R1.224 CC1=C(Br)C=CC=C1C[C@H](C)N AT22882 [0,2,0,0,0,0|0,0,0]=2 151 B12R1.224 CC1=C(N)C=CC=C1C[C@H](C)N AT22883 [0,2,0,0,0,0|1,0,0]=3 152 B12R1.224 CC1=C(N)C=CC=C1C[C@H](C)N AT22884 [0,2,0,0,0,0|1,0,0]=3 153 B12R1.544 NCCC1=C(F)C(F)=C(Br)C=C1 AT12624 [0,2,0,0,0,0|0,1,0]=3 154 B12R1.17 C=CC[C@H](N)C1=CC=CC(Cl)=C1 F52075 [0,2,0,0,0,0|1,1,0]=4 155 B12R1.17 COC[C@H](N)C1=CC=CC(Cl)=C1 E72746 [0,2,0,0,0,0|1,1,0]=4 156 B12R1.17 COC[C@H](N)C1=CC=CC(Cl)=C1 Y14847 [0,2,0,0,0,0|1,1,0]=4 157 B12R1.17 COC[C@H](N)C1=CC=CC(F)=C1 Y14848 [0,2,0,0,0,0|1,1,0]=4 158 B12R1.17 OCC[C@H](O)C1=CC=CC(Br)=C1 AT23931 [0,2,0,0,0,0|1,0,0]=3 159 B12R1.225 CC(=O)[C@H](N)C1=CC=CC(Br)=C1 D85232 [0,2,0,0,0,0|1,0,1]=4 160 B12R1.225 CC(O)C(N)C1=CC=CC(Br)=C1 D85229 [0,2,0,0,0,0|1,0,0]=3 161 B12R1.225 CC(O)C(N)C1=CC=CC(Cl)=C1 D85228 [0,2,0,0,0,0|1,1,0]=4 162 B12R1.225 CC(O)C(N)C1=CC=CC(F)=C1 D85236 [0,2,0,0,0,0|1,1,0]=4 163 B12R1.225 CC(O)C(N)C1=CC=CC(O)=C1 D85238 [0,2,0,0,0,0|2,0,0]=4 164 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(Br)=C1 N15618 [0,2,0,0,0,0|1,0,0]=3 165 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(Cl)=C1 N15633 [0,2,0,0,0,0|1,1,0]=4 166 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(F)=C1 N15645 [0,2,0,0,0,0|1,1,0]=4 167 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(O)=C1 N15623 [0,2,0,0,0,0|2,0,0]=4 168 B12R1.354 CC[C@H](N)C1=C(Br)C=CC(Cl)=C1 C91972 [0,2,0,0,0,0|1,1,0]=4 169 B12R1.354 N[C@@H](CO)C1=C(Cl)C=CC(F)=C1 D96443 [0,2,0,0,0,0|1,1,0]=4 170 B12R1.358 CC1=CC(C)=CC([C@@H](N)CO)=C1 D96392 [0,2,0,0,0,0|2,0,0]=4 171 B12R1.358 CC1=CC(C)=CC([C@@H](N)CO)=C1 D96439 [0,2,0,0,0,0|2,0,0]=4 172 B12R1.367 CC1=C(F)C=CC([C@@H](O)CN)=C1 AT26516 [0,2,0,0,0,0|1,0,0]=3 173 B12R1.367 NC[C@H](N)C1=CC(Cl)=C(Br)C=C1 N13718 [0,2,0,0,0,0|0,1,0]=3 174 B12R1.367 N[C@@H](CO)C1=CC(Br)=C(Cl)C=C1 D96442 [0,2,0,0,0,0|1,0,0]=3 175 B12R1.367 N[C@@H](CO)C1=CC(Br)=C(Cl)C=C1 E72735 [0,2,0,0,0,0|1,0,0]=3 176 B12R1.367 OC[C@H](O)C1=CC(F)=C(Cl)C=C1 D74559 [0,2,0,0,0,0|1,1,0]=4 177 B12R1.28 CC1=CC=CC(OCCCN)=C1 AC7555 [0,2,0,0,0,0|1,0,0]=3 178 B12R1.50 O=C(CBr)CC1=CC=CC(Br)=C1 78583 [0,2,0,0,0,0|1,0,0]=3 179 B12R1.100 FC1=CC(F)=CC(OCCBr)=C1 AT22365 [0,2,0,0,0,0|1,1,0]=4 180 B12R1.226 N=C(N)NCC1=CC=CC(Br)=C1 A10379 [0,2,0,0,0,0|0,0,1]=3 181 B12R1.382 C#CCCC1=CC=CC(OC)=C1 D75649 [0,2,0,0,0,0|2,0,0]=4 182 B12R1.385 CC1=C(N)C=C(OCCO)C=C1 AT22601 [0,2,0,0,0,0|2,0,0]=4 183 B12R1.385 FC1=C(F)C=C(OCCBr)C=C1 AT22363 [0,2,0,0,0,0|1,1,0]=4 184 B12R1.119 CC(C)(N)CC1=CC=CC(Br)=C1 AT24486 [0,2,0,0,0,0|0,0,0]=2 185 B12R1.119 CC(C)(O)CC1=CC(N)=CC=C1 D75585 [0,2,0,0,0,0|2,0,0]=4 186 B12R1.127 O=C(O)CC1=C(I)C=CC(Br)=C1 C13048 [0,2,0,0,0,0|1,0,1]=4 187 B12R1.1123 CCCC1=C(Br)C=C(Cl)C(O)=C1 F52147 [0,2,0,0,0,0|2,0,0]=4 188 B12R1.1123 NCCC1=CC(F)=C(Br)C=C1F AT12604 [0,2,0,0,0,0|0,1,0]=3 189 B12R1.279 CN(C)C1=CC=CC(CCO)=C1 D75796 [0,2,0,0,0,0|2,0,0]=4 190 B12R1.279 NCCC1=CC=CC(B(O)O)=C1 AC8583 [0,2,0,0,0,0|1,0,0]=3 191 B12R1.279 NNCC1=CC=CC([N+](=O)[O-])=C1 D76063 [0,2,0,0,0,0|2,0,0]=4 192 B12R1.286 COC1=C(F)C=CC(CCN)=C1 AT23332 [0,2,0,0,0,0|1,0,0]=3 193 B12R1.286 O=CC1=C(Cl)C=CC(CCO)=C1 D72239 [0,2,0,0,0,0|2,0,0]=4 194 B10R2.6 C1=CC=C(C2CC2)C=C1 W16080 [1,0,0,1,0,0|1,0,0]=3 195 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 89380 [1,0,0,1,0,0|0,0,0]=2 196 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 89381 [1,0,0,1,0,0|0,0,0]=2 197 B10R2.7 C1=CC2=C(C=N1)CCO2 D75261 [1,0,0,1,0,0|2,0,0]=4 198 B10R2.7 C1=CC2=C(N=N1)NCC2 93646 [1,0,0,1,0,0|2,0,0]=4 199 B10R2.32 BrC1=C2NCCN2N=C1 AT11167 [0,0,0,1,1,0|2,0,0]=4 200 B12R2.81 NC1=C(F)C(C2CC2)=CC=C1 AC9571 [0,1,0,1,0,0|2,0,0]=4 201 B12R2.82 CC1=C(Br)C2=C(C=CN2)C=C1 D77036 [0,1,0,1,0,0|0,0,2]=4 202 B12R2.82 ClC1=C(Br)C2=C(C=C1)CCC2 AT26145 [0,1,0,1,0,0|1,0,0]=3 203 B12R2.82 FC1=C(Br)C2=C(C=CN2)C=C1 78970 [0,1,0,1,0,0|0,0,2]=4 204 B12R2.82 FC1=C(Br)C=CC2=C1NCC2 P14762 [0,1,0,1,0,0|0,1,0]=3 205 B12R2.202 O=C1CC2=C(N1)C(Br)=NC=C2 D72980 [0,1,0,1,0,0|1,0,1]=4 206 B12R2.1081 BrC1=C2CCNCC2=CN=C1 F53720 [0,1,0,1,0,0|2,0,0]=4 207 B12R2.1081 BrC1=C2CNCCC2=CN=C1 P16622 [0,1,0,1,0,0|1,0,0]=3 208 B12R2.1081 BrC1=C2OCCNC2=CN=C1 AT12952 [0,1,0,1,0,0|2,0,0]=4 209 B12R2.1081 BrC1=C2OCCNC2=NC=C1 P19421 [0,1,0,1,0,0|2,0,0]=4 210 B12R2.1081 NC1=C2COCCC2=CC=C1 98368 [0,1,0,1,0,0|2,0,0]=4 211 B12R2.1081 OC1=C2OCCNC2=CC=C1 F20690 [0,1,0,1,0,0|2,0,0]=4 212 B12R2.80 OC1CC1C2=CC=CC(Br)=C2 AT25163 [0,1,0,1,0,0|1,0,0]=3 213 B12R2.132 FC1=NNC2=C1C=C(Br)C=C2 AC2044 [0,1,0,1,0,0|1,0,1]=4 214 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 I10856 [0,1,0,1,0,0|1,1,0]=4 215 B12R2.132 N[C@H]1COC2=C1C=C(Br)C=C2 33360 [0,1,0,1,0,0|1,0,0]=3 216 B12R2.132 N[C@H]1COC2=C1C=C(F)C=C2 N11246 [0,1,0,1,0,0|1,1,0]=4 217 B12R2.132 OC1=CC2=C(C=C1)OC[C@@H]2O AT23844 [0,1,0,1,0,0|2,0,0]=4 218 B12R2.132 O[C@H]1COC2=C1C=C(Cl)C=C2 AT23846 [0,1,0,1,0,0|1,1,0]=4 219 B12R2.132 O[C@H]1COC2=C1C=C(F)C=C2 AT23851 [0,1,0,1,0,0|1,1,0]=4 220 B12R2.1282 NC1(C2=CC=CC(Br)=N2)CC1 59910 [0,1,0,1,0,0|2,0,0]=4 221 B12R2.1282 NC1(C2=CC=CC(Br)=N2)CC1 F53838 [0,1,0,1,0,0|2,0,0]=4 222 B12R2.1282 NC1(C2=CC=CC(O)=C2)CC1 AT26939 [0,1,0,1,0,0|2,0,0]=4 223 B12R2.1282 OC1(C2=CC=CC(Br)=C2)CC1 AT23531 [0,1,0,1,0,0|1,0,0]=3 224 B12R2.1282 OC1(C2=CC=CC(F)=C2)CC1 AT23534 [0,1,0,1,0,0|1,1,0]=4 225 B12R2.2313 BrC1=CC(C2CNC2)=CC=C1 P11112 [0,1,0,1,0,0|0,0,0]=2 226 B12R2.2313 BrC1=CC([C@@H]2CCO2)=CC=C1 AT23934 [0,1,0,1,0,0|1,0,0]=3 227 B12R2.2313 BrC1=CN=CC(C2COC2)=C1 85372 [0,1,0,1,0,0|2,0,0]=4 228 B12R2.2313 ClC1=CC(C2CNC2)=CC=C1 AT15510 [0,1,0,1,0,0|0,1,0]=3 229 B12R2.2313 ClC1=CC(C2CNC2)=CC=C1 AT15561 [0,1,0,1,0,0|0,1,0]=3 230 B12R2.2313 FC1=CC([C@@H]2CCN2)=CC=C1 AT25421 [0,1,0,1,0,0|0,1,0]=3 231 B12R2.2313 FC1=NC=CC(C2CNC2)=C1 AT15195 [0,1,0,1,0,0|1,1,0]=4 232 B12R2.24 BrC1=NC=C2CCCCC2=C1 AC9089 [0,1,0,1,0,0|2,0,0]=4 233 B12R2.24 ClC1=NC=C2CNCCC2=C1 F13900 [0,1,0,1,0,0|1,1,0]=4 234 B12R2.24 IC1=NC2=C(C=C1)NCCO2 D74370 [0,1,0,1,0,0|1,1,0]=4 235 B12R2.24 NC1=CC2=C(C=C1)COCC2 W16156 [0,1,0,1,0,0|2,0,0]=4 236 B12R2.24 O=C1C=C2CCNCC2=CN1 E70186 [0,1,0,1,0,0|2,0,0]=4 237 B12R2.24 OC1=CN=C2NCCCC2=C1 AC9024 [0,1,0,1,0,0|2,0,0]=4 238 B12R2.24 OC1=NC=C2CNCCC2=C1 F53055 [0,1,0,1,0,0|2,0,0]=4 239 B12R2.203 N[C@H]1CCC2=CC=CC(Cl)=C21 28300 [0,1,0,1,0,0|0,1,0]=3 240 B12R2.203 N[C@H]1COC2=CC=CC(Cl)=C21 59814 [0,1,0,1,0,0|0,1,0]=3 241 B12R2.203 N[C@H]1COC2=CC=CC(F)=C21 N11398 [0,1,0,1,0,0|0,1,0]=3 242 B12R2.203 O[C@H]1COC2=CC=CC(Br)=C21 AT23849 [0,1,0,1,0,0|1,0,0]=3 243 B12R2.203 O[C@H]1COC2=CC=CC(Cl)=C21 AT23845 [0,1,0,1,0,0|1,1,0]=4 244 B12R2.612 C[C@@H]1NCC2=C1C=CC(Br)=C2 C90683 [0,1,0,1,0,0|1,0,0]=3 245 B12R2.612 C[C@@H]1NCC2=C1C=CC(Br)=C2 F13796 [0,1,0,1,0,0|1,0,0]=3 246 B12R2.612 N[C@H]1CCC2=CC(Br)=CN=C21 81984 [0,1,0,1,0,0|1,0,0]=3 247 B12R2.612 N[C@H]1CCC2=CC(Cl)=CN=C21 85961 [0,1,0,1,0,0|1,1,0]=4 248 B12R2.612 N[C@H]1COC2=C1C=CC(Cl)=C2 59815 [0,1,0,1,0,0|0,1,0]=3 249 B12R2.612 N[C@H]1COC2=C1C=CC(Cl)=C2 F12585 [0,1,0,1,0,0|0,1,0]=3 250 B12R2.612 N[C@H]1COC2=C1C=CC(Cl)=C2 N16513 [0,1,0,1,0,0|0,1,0]=3 251 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 N11243 [0,1,0,1,0,0|0,1,0]=3 252 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 N13249 [0,1,0,1,0,0|0,1,0]=3 253 B12R2.612 O=C1CCC2=C1C=CC(Br)=N2 D72218 [0,1,0,1,0,0|2,0,0]=4 254 B12R2.612 O=C1CSC2=C1C=CC(Br)=C2 D76235 [0,1,0,1,0,0|1,0,1]=4 255 B12R2.612 OC1=CC2=C(C=C1)[C@@H](O)CO2 AT23843 [0,1,0,1,0,0|2,0,0]=4 256 B12R2.1286 BrC1=CC(NC2CC2)=CC=C1 AT17108 [0,1,0,1,0,0|1,0,0]=3 257 B12R2.1286 FC1=CC(OC2CC2)=CC=C1 D74663 [0,1,0,1,0,0|1,1,0]=4 258 B12R2.1783 N#C[C@H]1CC2=CC=CC(Br)=C21 AT20403 [0,1,0,1,0,0|0,0,1]=3 259 B12R2.246 BrC1=CN2CCN=C2C(Br)=C1 AC8906 [0,1,0,1,0,0|1,0,1]=4 260 B12R2.246 FC1=C2CNCC2=CC(Br)=C1 O11548 [0,1,0,1,0,0|2,0,0]=4 261 B12R2.246 OC1=C2CCCC2=CC(Cl)=C1 N14342 [0,1,0,1,0,0|1,1,0]=4 262 B12R2.2294 CC1=CC(C)=CC(C2CC2)=C1 AC9712 [0,1,0,1,0,0|2,0,0]=4 263 B12R2.2294 NC1=CC(C2CC2)=CC(Br)=C1 AT26936 [0,1,0,1,0,0|1,0,0]=3 264 B12R2.2294 OC1=CC(C2CC2)=CC(Br)=C1 AT23075 [0,1,0,1,0,0|1,0,0]=3 265 B12R2.606 N[C@H]1CC2=C(C1)N=C(Cl)C=C2 AT25961 [0,1,0,1,0,0|1,1,0]=4 266 B12R2.606 N[C@H]1CC2=C(C=C(Br)C=C2)C1 D75527 [0,1,0,1,0,0|0,0,0]=2 267 B12R2.606 N[C@H]1CC2=CC(Br)=CN=C2C1 D75404 [0,1,0,1,0,0|1,0,0]=3 268 B12R2.1316 NC1=CC(C2CC2)=C(Br)C=C1 AT14293 [0,1,0,1,0,0|2,0,0]=4 269 B12R2.1316 NC1=CC(C2CC2)=C(F)C=C1 90409 [0,1,0,1,0,0|2,0,0]=4 270 B12R2.44 NCC1=CN=C2NCCC2=C1 AT21571 [0,1,0,1,0,0|2,0,0]=4 271 B12R2.315 NCC1=C2CCCC2=CC=C1 AT17203 [0,1,0,1,0,0|2,0,0]=4 272 B12R2.100 FC1=C(Cl)C=C2CCNC2=C1 C16760 [0,1,0,1,0,0|0,1,0]=3 273 B12R2.100 OC1=C(Br)C=C2C=CNC2=C1 53493 [0,1,0,1,0,0|0,0,2]=4 274 B12R2.291 CC1=C(C)C=C(C2CC2)C=C1 AC9677 [0,1,0,1,0,0|2,0,0]=4 275 B12R2.291 CC1=C(N)C=CC(C2CC2)=C1 AC8750 [0,1,0,1,0,0|2,0,0]=4 276 B12R2.291 NC1=C(Cl)C=C(C2CC2)C=C1 AC8810 [0,1,0,1,0,0|1,1,0]=4 277 B12R2.291 NC1=C(F)C=CC(C2CC2)=C1 AC9113 [0,1,0,1,0,0|2,0,0]=4 278 B8R1.1 CC1=CC(CN)=CS1 D76884 [1,0,0,0,1,0|2,0,0]=4 279 B8R1.1 CC1=COC(CN)=C1 P11789 [1,0,0,0,1,0|2,0,0]=4 280 B8R1.1 CCC1=CC=C(N)S1 AT14665 [1,0,0,0,1,0|2,0,0]=4 281 B8R1.1 CCC1=NC=C(Br)O1 AT18672 [1,0,0,0,1,0|2,0,0]=4 282 B8R1.1 CCC1=NOC(Br)=C1 AT19746 [1,0,0,0,1,0|2,0,0]=4 283 B8R1.1 COC1=CC(Br)=CS1 P19567 [1,0,0,0,1,0|2,0,0]=4 284 B8R1.1 NCC1=CC=C(Cl)O1 AT17313 [1,0,0,0,1,0|1,1,0]=4 285 B8R1.1 NCC1=CN=C(Br)S1 AT14675 [1,0,0,0,1,0|2,0,0]=4 286 B8R1.1 NCC1=NC=C(Br)O1 86227 [1,0,0,0,1,0|2,0,0]=4 287 B8R1.1 OCC1=COC(Br)=C1 AT23870 [1,0,0,0,1,0|2,0,0]=4 288 B8R1.11 NCC1=C(Br)C=NS1 AT21091 [1,0,0,0,1,0|2,0,0]=4 289 B8R1.11 NCC1=C(Br)C=NS1 AT21097 [1,0,0,0,1,0|2,0,0]=4 290 B8R1.11 NCC1=NSC=C1Br D80073 [1,0,0,0,1,0|2,0,0]=4 291 B8R1.8 NCCC1=CC=NO1 E73131 [1,0,0,0,1,0|2,0,0]=4 292 B8R1.8 NCCC1=CN=CO1 AT18734 [1,0,0,0,1,0|2,0,0]=4 293 B8R1.8 NCCC1=NC=CN1 AT24211 [1,0,0,0,1,0|2,0,0]=4