0 B11R1.41 CCOC1=C(C#N)C=CC=C1 MC33181 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.41 CCOC1=C(OC)C=CC=C1 MC433385 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.41 COC1=C(CCO)C=CC=C1 CS15749 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.41 N#CC1=C(CCO)C=CC=C1 MC100045 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.41 N#CCC1=C(C#N)C=CC=C1 MC40767 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.41 N#CCC1=C(CCl)C=CC=C1 MC40588 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.41 O=CC1=C(CCBr)C=CC=C1 MC106620 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.4 Br[Zn]Cc1ccccc1Br MC121351 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.4 CC1=C(CC#N)C=CC=C1 CS11825 [1,0,0,0,0,0|0,0,2]=3 9 B10R1.4 CC1=CC=CN=C1CCN MC33439 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.4 CCOC1=C(Br)C=CC=C1 MC20149 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.4 CCOC1=C(N)C=CC=C1 CS11823 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.4 CCOC1=C(O)C=CC=C1 MC41194 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.4 CCOC1=CC=CN=C1C MC443397 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.4 CCOC1=CC=CN=C1O MC110935 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.4 CNCC1=C(F)C=CC=C1 MC40828 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.4 COCC1=C(Br)C=CC=C1 MC41399 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.4 Fc1ccccc1C[Zn]Cl MC121344 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.4 N#CCC1=C(Br)C=CC=C1 CS10707 [1,0,0,0,0,0|1,0,2]=4 19 B10R1.4 N#CCC1=C(Cl)C=CC=C1 CS21495 [1,0,0,0,0,0|1,0,2]=4 20 B10R1.4 N#CCC1=C(F)C=CC=C1 CS20772 [1,0,0,0,0,0|1,0,2]=4 21 B10R1.4 N#CCC1=C(I)C=CC=C1 MC40781 [1,0,0,0,0,0|1,0,2]=4 22 B10R1.4 N#CCC1=C(N)C=CC=C1 CS20914 [1,0,0,0,0,0|1,0,2]=4 23 B10R1.4 NCCC1=C(Br)C=CC=C1 CS15138 [1,0,0,0,0,0|1,0,0]=2 24 B10R1.4 NCCC1=C(F)C=CC=C1 CS14793 [1,0,0,0,0,0|1,0,0]=2 25 B10R1.4 NCCC1=C(N)C=CC=C1 CS15970 [1,0,0,0,0,0|1,0,0]=2 26 B10R1.4 NCCC1=NC=CC=C1Br MC104547 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.4 NCCN1C=CC=CC1=O MC431465 [1,0,0,0,0,0|1,0,1]=3 28 B10R1.4 NNCC1=C(F)C=CC=C1 CS20134 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.4 NNCc1ccccc1F MC443842 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.4 O=CCC1=C(F)C=CC=C1 MC431003 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.4 OC1=C(CCI)C=CC=C1 MC430321 [1,0,0,0,0,0|1,0,0]=2 32 B10R1.4 OCCC1=C(Br)C=CC=C1 CS21407 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.4 OCCC1=C(Cl)C=CC=C1 MC40737 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.4 OCCC1=C(F)C=CC=C1 MC33149 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.20 BrCC1=C(CBr)C=CC=C1 MC20537 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.20 C#CC1=C(OC)C=CC=C1 CS21618 [1,0,0,0,0,0|0,0,2]=3 37 B10R1.20 CCC1=C(C#N)C=CC=C1 MC40655 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.20 CCC1=C(C#N)C=CN=C1 MC427151 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.20 CCC1=C(C=O)C=CC=C1 MC20141 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.20 CCC1=C(NN)C=CC=C1 CS15134 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.20 CNC1=C(C=O)C=CC=C1 CS17054 [1,0,0,0,0,0|2,0,1]=4 42 B10R1.20 CNC1=NC=CC=C1CO CS10541 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.20 COC1=C(C#N)C=CC=C1 CS19247 [1,0,0,0,0,0|0,0,2]=3 44 B10R1.20 COC1=C(C#N)C=CC=N1 MC425657 [1,0,0,0,0,0|1,0,2]=4 45 B10R1.20 COC1=C(C=O)C=CC=N1 CS20317 [1,0,0,0,0,0|2,0,1]=4 46 B10R1.20 COC1=C(C=O)C=CN=C1 MC442707 [1,0,0,0,0,0|2,0,1]=4 47 B10R1.20 COC1=C(CCl)C=CC=C1 MC20247 [1,0,0,0,0,0|1,0,0]=2 48 B10R1.20 COC1=C(CN)C=CC=C1 CS15681 [1,0,0,0,0,0|0,0,0]=1 49 B10R1.20 COC1=C(CN)N=NC=N1 MC105033 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.20 COC1=C(NN)C=CC=C1 CS19579 [1,0,0,0,0,0|1,0,0]=2 51 B10R1.20 COC1=C(NN)C=CC=C1 MC433991 [1,0,0,0,0,0|1,0,0]=2 52 B10R1.20 COC1=C(OC)C=CC=C1 CS12067 [1,0,0,0,0,0|1,0,0]=2 53 B10R1.20 COC1=CC=CN=C1C#N MC10410 [1,0,0,0,0,0|1,0,2]=4 54 B10R1.20 COC1=CC=CN=C1CBr CS13321 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.20 COC1=CC=CN=C1CN CS18076 [1,0,0,0,0,0|1,0,0]=2 56 B10R1.20 COC1=CC=CN=C1CN MC431773 [1,0,0,0,0,0|1,0,0]=2 57 B10R1.20 COC1=CC=CN=C1NN MC106439 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.20 COC1=CC=CN=C1OC CS14783 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.20 COC1=CC=NC=C1C=O MC442745 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.20 COC1=NC=CC=C1CCl CS16832 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.20 COC1=NC=CC=C1CN CS14780 [1,0,0,0,0,0|1,0,0]=2 62 B10R1.20 COC1=NC=CC=C1CN CS17327 [1,0,0,0,0,0|1,0,0]=2 63 B10R1.20 COC1=NC=CC=C1CO CS13650 [1,0,0,0,0,0|2,0,0]=3 64 B10R1.20 N#CC1=C(CBr)C=CC=C1 CS18879 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.20 N#CC1=C(CCl)C=CC=C1 CS18396 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.20 N#CC1=C(CN)C=CC=C1 CS15557 [1,0,0,0,0,0|2,0,0]=3 67 B10R1.20 N#CC1=C(CO)C=CC=C1 MC40696 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.20 NCC1=C(C=O)C=CC=N1 MC33472 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.20 NCC1=C(CO)C=CC=C1 CS13269 [1,0,0,0,0,0|2,0,0]=3 70 B10R1.20 NCC1=NC=CC=C1CO MC33469 [1,0,0,0,0,0|3,0,0]=4 71 B10R1.20 OCC1=C(CBr)C=CC=C1 CS17090 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.20 OCC1=CC=CC=C1CO MC433840 [1,0,0,0,0,0|3,0,0]=4 73 B12R1.75 C#CC1=C(CC(N)=O)C=CC=C1 MC112241 [0,1,0,0,0,0|1,0,2]=4 74 B12R1.75 COC1=C(CC(=O)O)C=CC=C1 CS16300 [0,1,0,0,0,0|1,0,1]=3 75 B12R1.75 COC1=C(OC(C)=O)C=CC=C1 MC40006 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.77 COC1=C(C(=O)CBr)C=CC=C1 CS11020 [0,1,0,0,0,0|1,0,1]=3 77 B12R1.112 COC1=C(CC#N)C=CC(Br)=C1 MC40760 [0,1,0,0,0,0|0,0,2]=3 78 B12R1.112 COC1=C(CC#N)C=CC(Cl)=C1 MC40766 [0,1,0,0,0,0|0,0,2]=3 79 B12R1.112 COC1=C(CC#N)C=CC(F)=C1 MC40774 [0,1,0,0,0,0|0,0,2]=3 80 B12R1.121 COC1=C(OCC=O)C=CC=C1 MC112452 [0,1,0,0,0,0|1,0,1]=3 81 B12R1.121 COC1=C(OCCN)C=CC=C1 CS21224 [0,1,0,0,0,0|0,0,0]=1 82 B12R1.121 COC1=C(\C=C\C=O)C=CC=C1 CS15311 [0,1,0,0,0,0|1,0,2]=4 83 B12R1.169 CCOC1=C(N=C=S)C=CC=C1 MC41070 [0,1,0,0,0,0|2,0,1]=4 84 B12R1.268 COC1=C(CC#N)C=C(Br)C=C1 CS10269 [0,1,0,0,0,0|0,0,2]=3 85 B12R1.268 COC1=C(CC#N)C=C(Cl)C=C1 CS20218 [0,1,0,0,0,0|0,0,2]=3 86 B12R1.283 O=[N+]([O-])C1=C(CCO)C=CC=C1 MC10134 [0,1,0,0,0,0|3,0,0]=4 87 B12R1.1112 COC1=CC=CC(F)=C1CC#N MC40773 [0,1,0,0,0,0|0,0,2]=3 88 B12R2.1 CNC1CCC2=CC=CC=C21 MC431440 [0,0,0,1,0,0|3,0,0]=4 89 B12R2.1 N#CC1CCC2=CC=CC=C21 CS13197 [0,0,0,1,0,0|1,0,2]=4 90 B12R2.1 NCC1=CNC2=CC=CC=C12 CS20093 [0,0,0,1,0,0|1,0,2]=4 91 B12R2.1 NCC1=NNC2=CC=CC=C21 CS11089 [0,0,0,1,0,0|2,0,1]=4 92 B12R2.18 CC1CC2=CC=CC=C2C1=O MC446688 [0,0,0,1,0,0|3,0,0]=4 93 B12R2.18 CN1C(N)=CC2=CC=CC=C21 MC106654 [0,0,0,1,0,0|1,0,2]=4 94 B12R2.18 NC1C2=CC=CC=C2CC1O CS13576 [0,0,0,1,0,0|3,0,0]=4 95 B12R2.18 NC1C2=CC=CC=C2CC1O MC20312 [0,0,0,1,0,0|3,0,0]=4 96 B12R2.18 NC1CC2=CC=CC=C2C1O MC446701 [0,0,0,1,0,0|2,0,0]=3 97 B12R2.24 CC1CNC2=CC=CC=C2C1 MC33343 [0,0,0,1,0,0|2,0,0]=3 98 B12R2.24 CN1CCC2=CC=CC=C2C1 CS16157 [0,0,0,1,0,0|3,0,0]=4 99 B12R2.24 NC1CCC2=CC=CC=C2C1 CS18799 [0,0,0,1,0,0|1,0,0]=2 100 B12R2.24 NC1CCC2=CC=CC=C2C1 MC106682 [0,0,0,1,0,0|1,0,0]=2 101 B12R2.24 NC1CCC2=CC=CC=C2C1 MC106683 [0,0,0,1,0,0|1,0,0]=2 102 B12R2.24 NN1CCC2=CC=CC=C2C1 MC442441 [0,0,0,1,0,0|2,0,0]=3 103 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 MC440135 [0,0,0,1,0,0|2,0,1]=4 104 B12R2.24 O=C1COC2=C(C=CC=C2)N1 CS21568 [0,0,0,1,0,0|2,0,1]=4 105 B12R2.24 O=C1CSC2=CC=CC=C2C1 MC107174 [0,0,0,1,0,0|1,1,1]=4 106 B12R2.41 C1=CC2=C(C=C1)CCNCC2 MC434053 [0,0,0,1,0,0|1,0,0]=2 107 B12R2.41 C1=CC2=C(C=C1)CNCCC2 CS12567 [0,0,0,1,0,0|3,0,0]=4 108 B12R2.41 C1=CC2=C(C=C1)NCCCC2 CS18041 [0,0,0,1,0,0|2,0,0]=3 109 B12R2.41 C1=CC2=C(C=C1)SCCNC2 MC106681 [0,0,0,1,0,0|2,1,0]=4 110 B12R2.315 COC1=C2C=CNC2=CC=C1 CS21717 [0,0,0,1,0,0|0,0,2]=3 111 B12R2.315 COC1=C2C=CNC2=NC=C1 MC10480 [0,0,0,1,0,0|1,0,2]=4 112 B12R2.315 COC1=C2C=NNC2=CC=C1 MC102407 [0,0,0,1,0,0|1,0,1]=3 113 B12R2.315 COC1=C2C=NNC2=NC=C1 MC110816 [0,0,0,1,0,0|2,0,1]=4 114 B12R2.315 COC1=C2CNCC2=CC=C1 CS17395 [0,0,0,1,0,0|2,0,0]=3 115 B12R2.315 COC1=C2CNCC2=CC=C1 MC107634 [0,0,0,1,0,0|2,0,0]=3 116 B12R2.315 COC1=CC=CC2=C1OC=C2 CS21625 [0,0,0,1,0,0|2,0,1]=4 117 B12R2.315 COC1=NC=CC2=C1N=CN2 MC427181 [0,0,0,1,0,0|2,0,1]=4 118 B12R2.315 N#CC1=CC=CC2=C1CCN2 CS17741 [0,0,0,1,0,0|2,0,0]=3 119 B12R2.315 OCC1=C2CCNC2=CC=C1 CS13211 [0,0,0,1,0,0|2,0,0]=3 120 B12R2.1081 CC1CCNC2=CC=CC=C21 CS17518 [0,0,0,1,0,0|3,0,0]=4 121 B12R2.1081 CC1CNCC2=CC=CC=C21 CS17240 [0,0,0,1,0,0|3,0,0]=4 122 B12R2.1081 CC1NCCC2=CC=CC=C21 CS12178 [0,0,0,1,0,0|1,0,0]=2 123 B12R2.1081 CC1NCCC2=CC=CC=C21 CS15270 [0,0,0,1,0,0|1,0,0]=2 124 B12R2.1081 CN1CCNC2=CC=CC=C21 CS19012 [0,0,0,1,0,0|3,0,0]=4 125 B12R2.1081 NC1CCCC2=CC=CC=C21 CS13980 [0,0,0,1,0,0|3,0,0]=4 126 B12R2.1081 O=C1CCCC2=CC=CC=C12 CS14809 [0,0,0,1,0,0|3,0,0]=4 127 B12R2.1081 O=C1NCCC2=CC=CC=C12 CS17872 [0,0,0,1,0,0|2,0,0]=3 128 B12R2.1081 O=C1NCCC2=CC=NC=C12 MC104301 [0,0,0,1,0,0|3,0,0]=4 129 B12R2.1081 O=C1OCCC2=CC=CC=C12 CS12987 [0,0,0,1,0,0|3,0,0]=4 130 B12R2.2048 NCC1=C(C2CC2)C=CC=C1 CS15686 [0,0,0,1,0,0|3,0,0]=4 131 B12R2.2048 OCC1=C(C2CC2)C=CC=C1 CS16040 [0,0,0,1,0,0|3,0,0]=4 132 B9R1.8 BrCCC1=CC=CC=C1 MC40571 [2,0,0,0,0,0|1,0,0]=3 133 B9R1.8 Br[Zn]Cc1ccccc1 MC121333 [2,0,0,0,0,0|2,0,0]=4 134 B9R1.8 CCCC1=CC=CN=C1 CS22402 [2,0,0,0,0,0|2,0,0]=4 135 B9R1.8 CCNC1=CC=CC=C1 MC40913 [2,0,0,0,0,0|2,0,0]=4 136 B9R1.8 CNCC1=CC=CC=C1 MC10559 [2,0,0,0,0,0|2,0,0]=4 137 B9R1.8 CNCC1=CC=CC=C1 MC20323 [2,0,0,0,0,0|2,0,0]=4 138 B9R1.8 CNCC1=CC=CC=C1 MC21006 [2,0,0,0,0,0|2,0,0]=4 139 B9R1.8 ClCCC1=CC=CC=C1 MC40609 [2,0,0,0,0,0|1,0,0]=3 140 B9R1.8 ClCCC1=CC=NC=C1 CS17913 [2,0,0,0,0,0|2,0,0]=4 141 B9R1.8 FCCC1=CC=CC=C1 MC41557 [2,0,0,0,0,0|1,0,0]=3 142 B9R1.8 NCCC1=CC=CC=C1 MC40983 [2,0,0,0,0,0|0,0,0]=2 143 B9R1.8 NCCC1=CC=CN=C1 CS21892 [2,0,0,0,0,0|1,0,0]=3 144 B9R1.8 NCCC1=NC=CC=C1 CS14064 [2,0,0,0,0,0|1,0,0]=3 145 B9R1.8 NCCC1=NC=NC=C1 MC104796 [2,0,0,0,0,0|2,0,0]=4 146 B9R1.8 NNCC1=CC=CC=C1 CS11006 [2,0,0,0,0,0|1,0,0]=3 147 B9R1.8 NNCC1=CC=CC=C1 CS12127 [2,0,0,0,0,0|1,0,0]=3 148 B9R1.8 NNCC1=CC=CN=C1 MC111189 [2,0,0,0,0,0|2,0,0]=4 149 B9R1.8 NNCC1=CC=CN=C1 MC111240 [2,0,0,0,0,0|2,0,0]=4 150 B9R1.8 NNCC1=CC=NC=C1 MC111241 [2,0,0,0,0,0|2,0,0]=4 151 B9R1.8 NNCC1=NC=CC=C1 MC111239 [2,0,0,0,0,0|2,0,0]=4 152 B9R1.8 NOCC1=CC=CC=C1 CS14063 [2,0,0,0,0,0|1,0,0]=3 153 B9R1.8 OCCC1=CC=CC=C1 MC40745 [2,0,0,0,0,0|1,0,0]=3 154 B9R1.8 ONCC1=CC=CC=C1 CS11753 [2,0,0,0,0,0|2,0,0]=4 155 B9R1.15 BrCC1=C(Br)C=CC=C1 MC20808 [2,0,0,0,0,0|2,0,0]=4 156 B9R1.15 BrCC1=C(I)C=CC=C1 MC40561 [2,0,0,0,0,0|2,0,0]=4 157 B9R1.15 C#CC1=C(N)C=CC=C1 CS21537 [2,0,0,0,0,0|1,0,1]=4 158 B9R1.15 C#CC1=C(O)C=CC=C1 CS21538 [2,0,0,0,0,0|0,0,2]=4 159 B9R1.15 CC1=C(CBr)C=CC=C1 CS14791 [2,0,0,0,0,0|1,0,0]=3 160 B9R1.15 CC1=C(CBr)C=NC=C1 CS17496 [2,0,0,0,0,0|2,0,0]=4 161 B9R1.15 CC1=C(CCl)C=NC=C1 MC104833 [2,0,0,0,0,0|2,0,0]=4 162 B9R1.15 CC1=C(CN)C=CC=C1 MC33216 [2,0,0,0,0,0|0,0,0]=2 163 B9R1.15 CC1=C(CN)C=NC=C1 CS20204 [2,0,0,0,0,0|1,0,0]=3 164 B9R1.15 CC1=C(CO)C=NC=C1 MC443666 [2,0,0,0,0,0|2,0,0]=4 165 B9R1.15 CC1=C(NN)C=CC=C1 CS19575 [2,0,0,0,0,0|1,0,0]=3 166 B9R1.15 CC1=C(NN)C=CC=C1 MC20365 [2,0,0,0,0,0|1,0,0]=3 167 B9R1.15 CC1=CC=CC=C1C=O CS19114 [2,0,0,0,0,0|1,0,1]=4 168 B9R1.15 CC1=CC=CN=C1CCl CS15725 [2,0,0,0,0,0|2,0,0]=4 169 B9R1.15 CC1=CC=CN=C1CO CS19225 [2,0,0,0,0,0|2,0,0]=4 170 B9R1.15 CC1=CN=NC=C1CN MC104847 [2,0,0,0,0,0|2,0,0]=4 171 B9R1.15 CC1=NC=CC=C1CCl MC104832 [2,0,0,0,0,0|2,0,0]=4 172 B9R1.15 CC1=NC=CC=C1CN MC102930 [2,0,0,0,0,0|1,0,0]=3 173 B9R1.15 CC1=NC=CC=C1CO CS20145 [2,0,0,0,0,0|2,0,0]=4 174 B9R1.15 CC1=NC=CN=C1CN MC103464 [2,0,0,0,0,0|2,0,0]=4 175 B9R1.15 CCC1=C(Br)C=CC=C1 CS20980 [2,0,0,0,0,0|1,0,0]=3 176 B9R1.15 CCC1=C(Br)C=CN=C1 MC427078 [2,0,0,0,0,0|2,0,0]=4 177 B9R1.15 CCC1=C(C)C=CC=C1 CS21536 [2,0,0,0,0,0|0,0,0]=2 178 B9R1.15 CCC1=C(N)C=CC=C1 MC40911 [2,0,0,0,0,0|1,0,0]=3 179 B9R1.15 CCC1=NC=CC=C1Br MC105746 [2,0,0,0,0,0|2,0,0]=4 180 B9R1.15 CNC1=C(Cl)C=CC=C1 MC40890 [2,0,0,0,0,0|2,0,0]=4 181 B9R1.15 CNC1=C(F)C=CC=C1 CS13895 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.15 CNC1=C(N)C=NC=C1 MC10330 [2,0,0,0,0,0|2,0,0]=4 183 B9R1.15 CNC1=CC=CC=C1N CS22302 [2,0,0,0,0,0|1,0,0]=3 184 B9R1.15 CNC1=NC=CC=C1N MC427393 [2,0,0,0,0,0|2,0,0]=4 185 B9R1.15 COC1=C(Br)C=CC=C1 CS19150 [2,0,0,0,0,0|1,0,0]=3 186 B9R1.15 COC1=C(Br)C=CN=C1 CS14715 [2,0,0,0,0,0|2,0,0]=4 187 B9R1.15 COC1=C(Br)C=NC=C1 CS18491 [2,0,0,0,0,0|2,0,0]=4 188 B9R1.15 COC1=C(C)C=CN=C1 MC443637 [2,0,0,0,0,0|1,0,0]=3 189 B9R1.15 COC1=C(C)C=NC=C1 MC33476 [2,0,0,0,0,0|1,0,0]=3 190 B9R1.15 COC1=C(Cl)C=CN=C1 MC442708 [2,0,0,0,0,0|2,0,0]=4 191 B9R1.15 COC1=C(F)C=CC=C1 CS19904 [2,0,0,0,0,0|1,0,0]=3 192 B9R1.15 COC1=C(F)C=NC=C1 CS16194 [2,0,0,0,0,0|2,0,0]=4 193 B9R1.15 COC1=C(I)C=CC=C1 MC41341 [2,0,0,0,0,0|1,0,0]=3 194 B9R1.15 COC1=C(I)C=CN=C1 MC106301 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.15 COC1=C(I)C=NC=C1 CS18542 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.15 COC1=C(N)C=CC=C1 CS11812 [2,0,0,0,0,0|0,0,0]=2 197 B9R1.15 COC1=C(N)C=CN=C1 CS22564 [2,0,0,0,0,0|1,0,0]=3 198 B9R1.15 COC1=C(N)C=NC=C1 CS18248 [2,0,0,0,0,0|1,0,0]=3 199 B9R1.15 COC1=C(O)C=CC=C1 MC41202 [2,0,0,0,0,0|1,0,0]=3 200 B9R1.15 COC1=C(O)C=CN=C1 MC443266 [2,0,0,0,0,0|2,0,0]=4 201 B9R1.15 COC1=CC=CN=C1Br CS19255 [2,0,0,0,0,0|2,0,0]=4 202 B9R1.15 COC1=CC=CN=C1Cl CS19305 [2,0,0,0,0,0|2,0,0]=4 203 B9R1.15 COC1=CC=CN=C1F CS13044 [2,0,0,0,0,0|2,0,0]=4 204 B9R1.15 COC1=CC=CN=C1N CS17216 [2,0,0,0,0,0|1,0,0]=3 205 B9R1.15 COC1=CN=CN=C1N CS13116 [2,0,0,0,0,0|2,0,0]=4 206 B9R1.15 COC1=NC=CC=C1Br CS19258 [2,0,0,0,0,0|2,0,0]=4 207 B9R1.15 COC1=NC=CC=C1C MC33438 [2,0,0,0,0,0|1,0,0]=3 208 B9R1.15 COC1=NC=CC=C1Cl CS18705 [2,0,0,0,0,0|2,0,0]=4 209 B9R1.15 COC1=NC=CC=C1F CS19564 [2,0,0,0,0,0|2,0,0]=4 210 B9R1.15 COC1=NC=CC=C1I CS13512 [2,0,0,0,0,0|2,0,0]=4 211 B9R1.15 COC1=NC=CC=C1N CS19526 [2,0,0,0,0,0|1,0,0]=3 212 B9R1.15 COC1=NC=CN=C1N MC441119 [2,0,0,0,0,0|2,0,0]=4 213 B9R1.15 CSC1=C(I)C=CC=C1 MC433405 [2,0,0,0,0,0|1,1,0]=4 214 B9R1.15 ClC1=C(CBr)C=CC=C1 CS19190 [2,0,0,0,0,0|2,0,0]=4 215 B9R1.15 ClCC1=C(Cl)C=CC=C1 CS19964 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.15 ClCC1=CC=CC=C1Br MC30029 [2,0,0,0,0,0|2,0,0]=4 217 B9R1.15 FC1=C(CBr)C=CC=C1 CS21562 [2,0,0,0,0,0|2,0,0]=4 218 B9R1.15 FC1=C(CCl)C=CC=C1 MC40597 [2,0,0,0,0,0|2,0,0]=4 219 B9R1.15 N#CC1=C(N)C=CC=C1 CS13393 [2,0,0,0,0,0|2,0,0]=4 220 B9R1.15 N#CC1=C(O)C=CC=C1 CS19191 [2,0,0,0,0,0|0,0,2]=4 221 B9R1.15 NC1=C(C=O)C=CC=C1 MC20756 [2,0,0,0,0,0|2,0,0]=4 222 B9R1.15 NC1=C(CO)C=CC=C1 CS19122 [2,0,0,0,0,0|2,0,0]=4 223 B9R1.15 NCC1=C(Br)C=CC=C1 CS19534 [2,0,0,0,0,0|1,0,0]=3 224 B9R1.15 NCC1=C(Br)C=NC=C1 CS17629 [2,0,0,0,0,0|2,0,0]=4 225 B9R1.15 NCC1=C(F)C=CC=C1 MC40826 [2,0,0,0,0,0|1,0,0]=3 226 B9R1.15 NCC1=C(F)C=NC=C1 MC116263 [2,0,0,0,0,0|2,0,0]=4 227 B9R1.15 NCC1=C(F)C=NC=C1 MC431082 [2,0,0,0,0,0|2,0,0]=4 228 B9R1.15 NCC1=C(N)C=CC=C1 MC40796 [2,0,0,0,0,0|1,0,0]=3 229 B9R1.15 NCC1=C(O)C=CC=C1 CS20889 [2,0,0,0,0,0|0,0,0]=2 230 B9R1.15 NCC1=NC=CC=C1Cl MC114379 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.15 NCC1=NC=CC=C1F MC104008 [2,0,0,0,0,0|2,0,0]=4 232 B9R1.15 NCC1=NC=CC=C1O MC443567 [2,0,0,0,0,0|1,0,0]=3 233 B9R1.15 NNC1=C(Br)C=CC=C1 CS19466 [2,0,0,0,0,0|2,0,0]=4 234 B9R1.15 NNC1=C(Cl)C=CC=C1 CS19478 [2,0,0,0,0,0|2,0,0]=4 235 B9R1.15 NNC1=C(F)C=CC=C1 CS23033 [2,0,0,0,0,0|2,0,0]=4 236 B9R1.15 NNC1=C(F)C=CC=C1 MC33086 [2,0,0,0,0,0|2,0,0]=4 237 B9R1.15 O=CC1=C(O)C=CC=C1 MC41121 [2,0,0,0,0,0|1,0,1]=4 238 B9R1.15 OCC1=C(Br)C=CC=C1 CS18828 [2,0,0,0,0,0|2,0,0]=4 239 B9R1.15 OCC1=C(Cl)C=CC=C1 CS21494 [2,0,0,0,0,0|2,0,0]=4 240 B9R1.15 OCC1=C(F)C=CC=C1 MC33139 [2,0,0,0,0,0|2,0,0]=4 241 B9R1.15 OCC1=C(I)C=CC=C1 CS19102 [2,0,0,0,0,0|2,0,0]=4 242 B9R1.15 OCC1=C(O)C=CC=C1 CS16243 [2,0,0,0,0,0|1,0,0]=3 243 B9R1.15 OCC1=NC=CC=C1O MC20200 [2,0,0,0,0,0|2,0,0]=4 244 B11R1.13 OCCC1=C(Cl)C(Cl)=CC=C1 MC40738 [1,1,0,0,0,0|2,0,0]=4 245 B11R1.17 CC1=C(OCC#N)C=CC=C1 CS14720 [1,1,0,0,0,0|0,0,2]=4 246 B11R1.17 CCCOC1=C(O)C=CC=C1 MC20673 [1,1,0,0,0,0|1,0,0]=3 247 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 MC106741 [1,1,0,0,0,0|2,0,0]=4 248 B11R1.81 CC1=C(CC#N)C=CC(F)=C1 MC40777 [1,1,0,0,0,0|0,0,2]=4 249 B11R1.81 NCCC1=C(F)C=C(F)C=C1 MC40977 [1,1,0,0,0,0|1,0,0]=3 250 B11R1.81 OCCC1=C(Cl)C=C(Cl)C=C1 MC40739 [1,1,0,0,0,0|2,0,0]=4 251 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 CS21083 [1,1,0,0,0,0|1,0,1]=4 252 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 CS20941 [1,1,0,0,0,0|1,0,1]=4 253 B11R1.86 OC1=C(OC(F)F)C=CC=C1 MC431136 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.182 CC1=C(CC#N)C=C(F)C=C1 CS19339 [1,1,0,0,0,0|0,0,2]=4 255 B11R1.182 CC1=CC(CC#N)=C(C)C=C1 CS21152 [1,1,0,0,0,0|0,0,2]=4 256 B11R1.182 CC1=CC(CCO)=C(C)C=C1 MC40742 [1,1,0,0,0,0|1,0,0]=3 257 B11R1.182 CCOC1=C(C)C=CC(N)=C1 MC111938 [1,1,0,0,0,0|2,0,0]=4 258 B11R1.182 NCCC1=C(Cl)C=CC(Cl)=C1 MC40976 [1,1,0,0,0,0|1,0,0]=3 259 B11R1.182 OCCC1=C(Cl)C=CC(Cl)=C1 MC40740 [1,1,0,0,0,0|2,0,0]=4 260 B11R1.222 CC(CO)C1=C(Cl)C=CC=C1 MC111290 [1,1,0,0,0,0|2,0,0]=4 261 B11R1.222 CCC(C)C1=C(N)C=CC=C1 CS21765 [1,1,0,0,0,0|2,0,0]=4 262 B11R1.222 CCC(N)C1=C(C)C=CC=C1 CS14530 [1,1,0,0,0,0|1,0,0]=3 263 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 CS15388 [1,1,0,0,0,0|1,0,1]=4 264 B11R1.222 NCC(O)C1=C(F)C=CC=C1 MC431432 [1,1,0,0,0,0|1,0,0]=3 265 B11R1.222 NCC(O)C1=C(I)C=CC=C1 CS17962 [1,1,0,0,0,0|1,0,0]=3 266 B11R1.222 O=C(CBr)C1=C(O)C=CC=C1 MC41230 [1,1,0,0,0,0|1,0,1]=4 267 B11R1.605 OCCC1=C(Cl)C=CC=C1F MC40736 [1,1,0,0,0,0|2,0,0]=4 268 B11R1.37 CCC1=C(C=O)C=C(Br)C=C1 MC443562 [1,1,0,0,0,0|2,0,0]=4 269 B11R1.37 CCC1=C(C=O)C=CC(O)=C1 MC441221 [1,1,0,0,0,0|2,0,0]=4 270 B11R1.37 CCC1=C(CO)C=C(I)C=C1 MC111700 [1,1,0,0,0,0|2,0,0]=4 271 B11R1.37 COC1=C(C#N)C=C(Br)C=C1 MC30025 [1,1,0,0,0,0|0,0,2]=4 272 B11R1.37 COC1=C(C#N)C=C(Cl)C=C1 CS20726 [1,1,0,0,0,0|0,0,2]=4 273 B11R1.37 COC1=C(C#N)C=C(F)C=C1 MC433778 [1,1,0,0,0,0|0,0,2]=4 274 B11R1.37 COC1=C(C#N)C=C(O)C=C1 MC108583 [1,1,0,0,0,0|0,0,2]=4 275 B11R1.37 COC1=C(C#N)C=CC(Br)=C1 CS18242 [1,1,0,0,0,0|0,0,2]=4 276 B11R1.37 COC1=C(C#N)C=CC(C)=C1 CS21636 [1,1,0,0,0,0|0,0,2]=4 277 B11R1.37 COC1=C(C#N)C=CC(F)=C1 MC30021 [1,1,0,0,0,0|0,0,2]=4 278 B11R1.37 COC1=C(C#N)C=CC(N)=C1 CS22550 [1,1,0,0,0,0|0,0,2]=4 279 B11R1.37 COC1=C(C#N)C=CC(O)=C1 MC442317 [1,1,0,0,0,0|0,0,2]=4 280 B11R1.37 COC1=C(C=O)C=C(Cl)C=C1 CS20830 [1,1,0,0,0,0|1,0,1]=4 281 B11R1.37 COC1=C(C=O)C=C(F)C=C1 CS13891 [1,1,0,0,0,0|1,0,1]=4 282 B11R1.37 COC1=C(C=O)C=CC(Br)=C1 CS22648 [1,1,0,0,0,0|1,0,1]=4 283 B11R1.37 COC1=C(C=O)C=CC(Cl)=C1 MC30022 [1,1,0,0,0,0|1,0,1]=4 284 B11R1.37 COC1=C(C=O)C=CC(N)=C1 MC431889 [1,1,0,0,0,0|1,0,1]=4 285 B11R1.37 COC1=C(C=O)C=CC(O)=C1 MC442306 [1,1,0,0,0,0|1,0,1]=4 286 B11R1.37 COC1=C(CBr)C=C(F)C=C1 MC30089 [1,1,0,0,0,0|1,0,0]=3 287 B11R1.37 COC1=C(CN)C=C(Cl)C=C1 CS16238 [1,1,0,0,0,0|0,0,0]=2 288 B11R1.37 COC1=C(CN)C=C(N)C=C1 CS10206 [1,1,0,0,0,0|0,0,0]=2 289 B11R1.37 COC1=C(CN)C=CC(Cl)=C1 MC107633 [1,1,0,0,0,0|0,0,0]=2 290 B11R1.37 COC1=C(CN)C=CC(F)=C1 CS12735 [1,1,0,0,0,0|0,0,0]=2 291 B11R1.37 COC1=C(CO)C=C(Br)C=C1 MC40688 [1,1,0,0,0,0|1,0,0]=3 292 B11R1.37 COC1=C(CO)C=C(F)C=C1 MC30023 [1,1,0,0,0,0|1,0,0]=3 293 B11R1.37 COC1=C(CO)C=CC(Br)=C1 MC40687 [1,1,0,0,0,0|1,0,0]=3 294 B11R1.37 COC1=C(NN)C=CC(Cl)=C1 MC443798 [1,1,0,0,0,0|1,0,0]=3 295 B11R1.37 COC1=C(NN)C=CC(Cl)=C1 MC445716 [1,1,0,0,0,0|1,0,0]=3 296 B11R1.37 COC1=C(OC)C=C(Br)C=C1 CS19895 [1,1,0,0,0,0|1,0,0]=3 297 B11R1.37 COC1=C(OC)C=C(C)C=C1 CS21947 [1,1,0,0,0,0|1,0,0]=3 298 B11R1.37 COC1=C(OC)C=C(F)C=C1 CS20493 [1,1,0,0,0,0|1,0,0]=3 299 B11R1.37 COC1=C(OC)C=C(I)C=C1 MC41359 [1,1,0,0,0,0|1,0,0]=3 300 B11R1.37 COC1=C(OC)C=C(N)C=C1 CS15398 [1,1,0,0,0,0|1,0,0]=3 301 B11R1.37 COC1=C(OC)C=C(O)C=C1 MC30097 [1,1,0,0,0,0|1,0,0]=3 302 B11R1.37 COC1=C(OC)C=C(S)C=C1 MC41407 [1,1,0,0,0,0|1,0,0]=3 303 B11R1.37 COC1=C(OC)N=CC(N)=C1 CS15128 [1,1,0,0,0,0|2,0,0]=4 304 B11R1.37 COC1=CC(Br)=CN=C1CO MC431858 [1,1,0,0,0,0|2,0,0]=4 305 B11R1.37 COC1=CC(F)=CC=C1C=O MC30305 [1,1,0,0,0,0|1,0,1]=4 306 B11R1.37 COC1=CC=C(Br)C=C1C=O MC33091 [1,1,0,0,0,0|1,0,1]=4 307 B11R1.37 COC1=NC(Br)=CC=C1CN CS17510 [1,1,0,0,0,0|1,0,0]=3 308 B11R1.37 COC1=NC(Br)=CC=C1CO CS17509 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.37 COC1=NC=C(Br)C=C1CN MC103396 [1,1,0,0,0,0|1,0,0]=3 310 B11R1.37 COC1=NC=C(Br)C=C1CO MC443486 [1,1,0,0,0,0|2,0,0]=4 311 B11R1.37 COC1=NC=C(F)C=C1CO MC430391 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.53 CC(C)C1=C(C=O)C=CC=C1 MC441019 [1,1,0,0,0,0|2,0,0]=4 313 B11R1.53 CC(C)C1=C(CBr)C=CC=C1 MC103557 [1,1,0,0,0,0|2,0,0]=4 314 B11R1.53 CCC1=C(B(O)O)C=CC=C1 CS20466 [1,1,0,0,0,0|2,0,0]=4 315 B11R1.53 CCC1=C(C(=O)O)C=CC=C1 CS15281 [1,1,0,0,0,0|2,0,0]=4 316 B11R1.53 COC1=C(B(O)O)C=CC=C1 CS20142 [1,1,0,0,0,0|2,0,0]=4 317 B11R1.53 COC1=C(C(=O)Cl)C=CC=C1 MC40492 [1,1,0,0,0,0|1,0,1]=4 318 B11R1.53 COC1=C(C(=O)O)C=CC=C1 CS15086 [1,1,0,0,0,0|1,0,1]=4 319 B11R1.53 COC1=C(C(C)=O)C=CC=C1 MC41261 [1,1,0,0,0,0|0,0,1]=3 320 B11R1.53 COC1=C(C(C)=O)C=CN=C1 MC105760 [1,1,0,0,0,0|1,0,1]=4 321 B11R1.53 COC1=C(C(C)=O)C=NC=C1 MC102690 [1,1,0,0,0,0|1,0,1]=4 322 B11R1.53 COC1=C(C(C)N)C=CC=C1 CS15754 [1,1,0,0,0,0|0,0,0]=2 323 B11R1.53 COC1=C(S(=O)[O-])C=CC=C1 MC106123 [1,1,0,0,0,0|2,0,0]=4 324 B11R1.53 COC1=C([N+](=O)[O-])C=CC=C1 MC41348 [1,1,0,0,0,0|2,0,0]=4 325 B11R1.53 COC1=CC=CN=C1C(C)=O CS16598 [1,1,0,0,0,0|1,0,1]=4 326 B11R1.53 COC1=NC=CC=C1C(C)=O MC102691 [1,1,0,0,0,0|1,0,1]=4 327 B11R1.53 NCC1=C(B(O)O)C=CC=C1 CS20890 [1,1,0,0,0,0|2,0,0]=4 328 B11R1.53 NCC1=C([N+](=O)[O-])C=CC=C1 MC40839 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.265 CCC1=C(C#N)C(O)=CC=C1 MC442500 [1,1,0,0,0,0|2,0,0]=4 330 B11R1.265 CCC1=C(NN)C(C)=CC=C1 MC430937 [1,1,0,0,0,0|2,0,0]=4 331 B11R1.265 COC1=C(C#N)C(C)=CC=C1 CS14397 [1,1,0,0,0,0|0,0,2]=4 332 B11R1.265 COC1=C(C#N)C=CC=C1Br MC442374 [1,1,0,0,0,0|0,0,2]=4 333 B11R1.265 COC1=C(C#N)C=CC=C1F MC442372 [1,1,0,0,0,0|0,0,2]=4 334 B11R1.265 COC1=C(C#N)C=CC=C1O MC40663 [1,1,0,0,0,0|0,0,2]=4 335 B11R1.265 COC1=C(C=O)C(C)=CC=C1 CS21645 [1,1,0,0,0,0|1,0,1]=4 336 B11R1.265 COC1=C(C=O)C=CC=C1Br CS22135 [1,1,0,0,0,0|1,0,1]=4 337 B11R1.265 COC1=C(C=O)C=CC=C1C CS15730 [1,1,0,0,0,0|1,0,1]=4 338 B11R1.265 COC1=C(C=O)C=CC=C1Cl CS12248 [1,1,0,0,0,0|1,0,1]=4 339 B11R1.265 COC1=C(C=O)C=CC=C1F MC30252 [1,1,0,0,0,0|1,0,1]=4 340 B11R1.265 COC1=C(C=O)C=CC=C1O MC425754 [1,1,0,0,0,0|1,0,1]=4 341 B11R1.265 COC1=C(CO)C=CC=C1F CS14762 [1,1,0,0,0,0|1,0,0]=3 342 B11R1.265 COC1=CC=CC(Br)=C1C#N CS16021 [1,1,0,0,0,0|0,0,2]=4 343 B11R1.265 COC1=CC=CC(Br)=C1C=O MC427142 [1,1,0,0,0,0|1,0,1]=4 344 B11R1.265 COC1=CC=CC(Br)=C1OC CS14821 [1,1,0,0,0,0|1,0,0]=3 345 B11R1.265 COC1=CC=CC(Cl)=C1C#N CS21481 [1,1,0,0,0,0|0,0,2]=4 346 B11R1.265 COC1=CC=CC(Cl)=C1C=O CS17258 [1,1,0,0,0,0|1,0,1]=4 347 B11R1.265 COC1=CC=CC(Cl)=C1CBr MC107653 [1,1,0,0,0,0|1,0,0]=3 348 B11R1.265 COC1=CC=CC(Cl)=C1CN MC107632 [1,1,0,0,0,0|0,0,0]=2 349 B11R1.265 COC1=CC=CC(F)=C1C#N CS10752 [1,1,0,0,0,0|0,0,2]=4 350 B11R1.265 COC1=CC=CC(F)=C1C=O CS20843 [1,1,0,0,0,0|1,0,1]=4 351 B11R1.265 COC1=CC=CC(F)=C1CN CS20435 [1,1,0,0,0,0|0,0,0]=2 352 B11R1.265 COC1=CC=CC(F)=C1OC MC433523 [1,1,0,0,0,0|1,0,0]=3 353 B11R1.265 COC1=CC=CC(O)=C1C=O MC442703 [1,1,0,0,0,0|1,0,1]=4 354 B11R1.265 COC1=CC=CC(O)=C1OC CS21046 [1,1,0,0,0,0|1,0,0]=3 355 B13R1.51 COC1=C(CC(=O)O)C=CC(Br)=C1 CS15729 [0,2,0,0,0,0|1,0,1]=4 356 B13R1.51 COC1=C(CC(=O)O)C=CC(F)=C1 MC103359 [0,2,0,0,0,0|1,0,1]=4 357 B13R1.89 COC1=C(C(C)C(=O)O)C=CC=C1 CS15699 [0,2,0,0,0,0|1,0,1]=4 358 B13R1.380 N#CCC1=C(OC(F)F)C=CC=C1 MC40769 [0,2,0,0,0,0|0,0,2]=4 359 B13R1.2135 COC1=CC=CC(F)=C1CC(=O)O CS14556 [0,2,0,0,0,0|1,0,1]=4 360 B13R1.3089 COC1=C(CC(=O)O)C=C(Br)C=C1 MC40150 [0,2,0,0,0,0|1,0,1]=4 361 B13R1.3089 COC1=C(CC(=O)O)C=C(F)C=C1 MC40170 [0,2,0,0,0,0|1,0,1]=4 362 B13R1.3089 COC1=C(OC(C)C)C=C(N)C=C1 MC112103 [0,2,0,0,0,0|2,0,0]=4 363 B13R1.382 COC(=O)C1=C(CCBr)C=CC=C1 MC425520 [0,2,0,0,0,0|1,0,0]=3 364 B13R1.382 COC(=O)c1ccccc1CCN MC433578 [0,2,0,0,0,0|0,0,0]=2 365 B13R1.2065 COC1=C(C(=O)CF)C=CC(Cl)=C1 MC433222 [0,2,0,0,0,0|1,0,1]=4 366 B13R1.2209 COC1=C(C(=O)CBr)C=C(Cl)C=C1 CS21328 [0,2,0,0,0,0|1,0,1]=4 367 B13R1.2209 COc1ccc(F)cc1C(=O)CBr MC433216 [0,2,0,0,0,0|1,0,1]=4 368 B13R1.73 COC1=C(OCCBr)C=CC(F)=C1 MC112248 [0,2,0,0,0,0|1,0,0]=3 369 B13R1.1249 CCOC1=C(OC)C=C(CO)C=C1 MC40710 [0,2,0,0,0,0|2,0,0]=4 370 B13R1.1249 CNCC1=C(OC)C=C(OC)C=C1 CS11703 [0,2,0,0,0,0|2,0,0]=4 371 B13R1.485 CCOC1=C(OCCBr)C=CC=C1 CS20837 [0,2,0,0,0,0|1,0,0]=3 372 B13R1.485 CCOC1=C(OCCN)C=CC=C1 MC112314 [0,2,0,0,0,0|0,0,0]=2 373 B13R1.3910 CCOC1=C(OCC)C(F)=CC=C1 MC41358 [0,2,0,0,0,0|2,0,0]=4 374 B13R1.355 CCOC1=C(OC)C=CC(C#N)=C1 MC425852 [0,2,0,0,0,0|2,0,0]=4 375 B13R1.355 CCOC1=C(OC)C=CC(C=O)=C1 MC20668 [0,2,0,0,0,0|2,0,0]=4 376 B13R1.381 NCCC1=C(C(F)(F)F)C=CC=C1 MC40985 [0,2,0,0,0,0|2,0,0]=4 377 B13R1.3911 CNCC1=C(OC)C(OC)=CC=C1 CS17118 [0,2,0,0,0,0|2,0,0]=4 378 B11R1.267 COC1=CC=CC(CN)=C1Cl MC111175 [0,0,1,1,0,0|1,0,1]=4 379 B11R2.10 CC1CC2=CC=CC=C2N1 MC105455 [1,0,0,1,0,0|2,0,0]=4 380 B11R2.10 CC1CC2=CC=CC=C2N1 MC445120 [1,0,0,1,0,0|2,0,0]=4 381 B11R2.10 NC1=NC2=C(C=CC=C2)O1 MC31149 [1,0,0,1,0,0|1,0,1]=4 382 B11R2.10 NC1CC2=CC=CC=C2C1 CS19882 [1,0,0,1,0,0|0,0,0]=2 383 B11R2.10 NN1CC2=CC=CC=C2C1 MC442461 [1,0,0,1,0,0|1,0,0]=3 384 B11R2.10 O=C1CC2=C(C=CC=C2)O1 MC20944 [1,0,0,1,0,0|1,0,1]=4 385 B11R2.10 O=C1CC2=CC=CC=C2C1 CS16080 [1,0,0,1,0,0|1,0,1]=4 386 B11R2.10 OC1CC2=CC=CC=C2C1 CS21608 [1,0,0,1,0,0|1,0,0]=3 387 B11R2.10 ON1CC2=CC=CC=C2C1 MC41790 [1,0,0,1,0,0|2,0,0]=4 388 B11R2.20 C1=CC2=C(CCCC2)N=C1 CS13407 [1,0,0,1,0,0|2,0,0]=4 389 B11R2.20 C1=CC2=C(CCNC2)N=C1 CS14841 [1,0,0,1,0,0|1,0,0]=3 390 B11R2.20 C1=CC2=C(CNCC2)N=C1 MC104317 [1,0,0,1,0,0|1,0,0]=3 391 B11R2.20 C1=CC2=C(CNCC2)N=C1 MC431486 [1,0,0,1,0,0|1,0,0]=3 392 B11R2.20 C1=CC=C2CC=CCC2=C1 CS11050 [1,0,0,1,0,0|1,0,1]=4 393 B11R2.20 C1=CC=C2CNCCC2=C1 CS19412 [1,0,0,1,0,0|0,0,0]=2 394 B11R2.20 C1=CC=C2COCCC2=C1 CS19933 [1,0,0,1,0,0|1,0,0]=3 395 B11R2.20 C1=NC=C2CCNCC2=C1 CS15863 [1,0,0,1,0,0|1,0,0]=3 396 B11R2.20 C1=NC=C2CCNCC2=C1 MC115896 [1,0,0,1,0,0|1,0,0]=3 397 B11R2.20 C1=NC=C2CNCCC2=C1 CS17812 [1,0,0,1,0,0|1,0,0]=3 398 B11R2.20 C1=NC=C2CNCCC2=C1 MC113298 [1,0,0,1,0,0|1,0,0]=3 399 B11R2.20 C1=NC=NC2=C1CCNC2 MC103871 [1,0,0,1,0,0|2,0,0]=4 400 B11R2.20 C1=NC=NC2=C1CNCC2 CS11914 [1,0,0,1,0,0|2,0,0]=4 401 B11R2.20 C1=NC=NC2=C1CNCC2 CS15273 [1,0,0,1,0,0|2,0,0]=4 402 B11R2.55 ClC1=C(C2CO2)C=CC=C1 MC427453 [1,0,0,1,0,0|2,0,0]=4 403 B11R2.106 BrC1=C2CCCC2=CC=C1 CS16754 [1,0,0,1,0,0|2,0,0]=4 404 B11R2.106 BrC1=C2CCNC2=CC=C1 CS18513 [1,0,0,1,0,0|1,0,0]=3 405 B11R2.106 CC1=C2C=CNC2=CC=C1 CS21706 [1,0,0,1,0,0|0,0,2]=4 406 B11R2.106 CC1=C2C=NNC2=CC=C1 CS22943 [1,0,0,1,0,0|1,0,1]=4 407 B11R2.106 CC1=C2CCNC2=CC=C1 MC425439 [1,0,0,1,0,0|0,0,0]=2 408 B11R2.106 CC1=C2CNCC2=CC=C1 CS17946 [1,0,0,1,0,0|2,0,0]=4 409 B11R2.106 CC1=C2NCCC2=CC=C1 CS18412 [1,0,0,1,0,0|2,0,0]=4 410 B11R2.106 ClC1=C2CCNC2=CC=C1 CS10845 [1,0,0,1,0,0|1,0,0]=3 411 B11R2.106 ClC1=NC=CC2=C1CCN2 MC104776 [1,0,0,1,0,0|2,0,0]=4 412 B11R2.106 FC1=C2CCNC2=CC=C1 MC433917 [1,0,0,1,0,0|1,0,0]=3 413 B11R2.106 IC1=C2CCNC2=CC=C1 MC113807 [1,0,0,1,0,0|1,0,0]=3 414 B11R2.106 NC1=C2CCOC2=CC=C1 CS21040 [1,0,0,1,0,0|2,0,0]=4 415 B11R2.106 NC1=CC=CC2=C1CCN2 CS11498 [1,0,0,1,0,0|1,0,0]=3 416 B11R2.106 O=C1C=CC=C2NCCN12 CS15111 [1,0,0,1,0,0|1,0,1]=4 417 B11R2.106 O=C1C=CC=C2NCCN12 CS17486 [1,0,0,1,0,0|1,0,1]=4 418 B11R2.106 OC1=C2C=NNC2=CC=C1 MC444351 [1,0,0,1,0,0|1,0,1]=4 419 B11R2.106 OC1=CC=CC2=C1C=CN2 CS10821 [1,0,0,1,0,0|0,0,2]=4 420 B11R2.106 OC1=CC=CC2=C1CCC2 CS22898 [1,0,0,1,0,0|1,0,0]=3 421 B11R2.1 CC1=CCC2=CC=CC=C12 MC106180 [1,0,0,1,0,0|1,0,1]=4 422 B11R2.1 CC1=COC2=C1C=CC=C2 MC30270 [1,0,0,1,0,0|0,0,2]=4 423 B11R2.1 CC1=NOC2=C1C=CC=C2 CS22352 [1,0,0,1,0,0|1,0,1]=4 424 B11R2.1 NC1=NOC2=C1C=CC=C2 CS20240 [1,0,0,1,0,0|1,0,1]=4 425 B11R2.1 NC1CCC2=CC=CC=C21 CS16005 [1,0,0,1,0,0|1,0,0]=3 426 B11R2.1 NC1CCC2=CC=CC=C21 CS19275 [1,0,0,1,0,0|1,0,0]=3 427 B11R2.1 NC1CCC2=CC=CC=C21 CS19803 [1,0,0,1,0,0|1,0,0]=3 428 B11R2.1 NC1CCC2=CC=CC=C21 CS20307 [1,0,0,1,0,0|1,0,0]=3 429 B11R2.1 NC1CCC2=CC=CC=C21 MC425841 [1,0,0,1,0,0|1,0,0]=3 430 B11R2.1 NC1COC2=NC=CC=C21 MC443539 [1,0,0,1,0,0|1,0,0]=3 431 B11R2.1 O=C1CCC2=CC=CC=C12 CS18668 [1,0,0,1,0,0|2,0,0]=4 432 B11R2.1 O=C1COC2=C1C=CC=C2 CS20787 [1,0,0,1,0,0|1,0,1]=4 433 B11R2.1 O=C1NCC2=CC=CC=C12 CS11515 [1,0,0,1,0,0|2,0,0]=4 434 B13R2.328 NC1CC2=CC=CC=C2N(O)C1 MC31043 [0,1,0,1,0,0|1,0,0]=3 435 B13R2.581 COC1=C2CC(=O)NC2=CC=C1 CS22921 [0,1,0,1,0,0|0,0,1]=3 436 B13R2.581 COC1=CC=CC2=C1N=C(N)S2 CS20925 [0,1,0,1,0,0|1,0,1]=4 437 B13R2.621 COC1=NC=CC=C1OC2CC2 MC445622 [0,1,0,1,0,0|2,0,0]=4 438 B13R2.91 COC1=C(C2(N)CC2)C=CC=C1 MC116269 [0,1,0,1,0,0|1,0,0]=3 439 B13R2.91 COC1=C(C2(N)CC2)C=CC=C1 MC116270 [0,1,0,1,0,0|1,0,0]=3 440 B13R2.371 CC1=NCC(C)C2=CC=CC=C21 MC33409 [0,1,0,1,0,0|1,0,1]=4 441 B13R2.582 COC1=C2C(=O)CCC2=CC=C1 CS15531 [0,1,0,1,0,0|1,0,1]=4 442 B13R2.1613 COC1=C2CCCNC2=CC=C1 CS18951 [0,1,0,1,0,0|0,0,0]=2 443 B13R2.1613 COC1=C2CNCCC2=CC=C1 MC111163 [0,1,0,1,0,0|1,0,0]=3 444 B13R2.1613 COC1=C2NCCCC2=CC=C1 MC111965 [0,1,0,1,0,0|1,0,0]=3 445 B13R2.1613 COc1ncnc2c1CCNC2 MC100172 [0,1,0,1,0,0|2,0,0]=4 446 B13R2.1613 N#CC1=CC=CC2=C1CCNC2 MC427251 [0,1,0,1,0,0|2,0,0]=4 447 B13R2.5252 C=C1CCCCC2=C1C=CC=C2 CS17849 [0,1,0,1,0,0|2,0,0]=4 448 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 MC20683 [0,1,0,1,0,0|2,0,0]=4 449 B13R2.162 CN1CCCC2=CC=C(N)C=C21 CS11790 [0,1,0,1,0,0|2,0,0]=4 450 B13R2.162 NC1=CC=C2CCNC(=O)C2=C1 CS18415 [0,1,0,1,0,0|2,0,0]=4 451 B13R2.162 O=C1NCCC2=CC=C(Br)C=C12 CS17663 [0,1,0,1,0,0|2,0,0]=4 452 B13R2.162 O=C1NCCC2=CC=C(I)C=C12 MC107454 [0,1,0,1,0,0|2,0,0]=4 453 B13R2.623 COC1=C2C=CNC2=CC(F)=C1 MC443550 [0,1,0,1,0,0|0,0,2]=4 454 B13R2.623 COC1=C2C=NNC2=CC(Br)=C1 CS10649 [0,1,0,1,0,0|1,0,1]=4 455 B13R2.623 COC1=C2C=NNC2=CC(I)=C1 MC443729 [0,1,0,1,0,0|1,0,1]=4 456 B13R2.1 NCCC1=CNC2=CC=CC=C12 CS11096 [0,1,0,1,0,0|1,0,1]=4 457 B13R2.1 NCCC1=COC2=C1C=CC=C2 CS12984 [0,1,0,1,0,0|0,0,1]=3 458 B13R2.1 NCCC1=NNC2=CC=CC=C21 CS15644 [0,1,0,1,0,0|2,0,0]=4 459 B13R2.1 NCCN1C=CC2=CC=CC=C21 MC111243 [0,1,0,1,0,0|1,0,1]=4 460 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 MC442202 [0,1,0,1,0,0|2,0,0]=4 461 B13R2.57 BrCC1COC2=C(C=CC=C2)O1 MC31021 [0,1,0,1,0,0|1,0,0]=3 462 B13R2.57 NCC1CC2=CC=CC=C2CN1 MC431478 [0,1,0,1,0,0|2,0,0]=4 463 B13R2.57 NCC1CCC2=CC=CC=C2O1 MC111186 [0,1,0,1,0,0|1,0,0]=3 464 B13R2.57 NCC1COC2=C(C=CC=C2)N1 MC106962 [0,1,0,1,0,0|0,0,0]=2 465 B13R2.57 NCC1COC2=C(C=CC=C2)O1 MC429909 [0,1,0,1,0,0|0,0,0]=2 466 B13R2.57 NCC1COC2=C(C=CC=C2)O1 MC429910 [0,1,0,1,0,0|0,0,0]=2 467 B13R2.573 COC1=C2C=NN(C)C2=CC=C1 MC441198 [0,1,0,1,0,0|1,0,1]=4 468 B13R2.573 COC1=C2CCC(=O)C2=CC=C1 MC446697 [0,1,0,1,0,0|1,0,0]=3 469 B13R2.573 COC1=C2CNC(=O)C2=CC=C1 CS15112 [0,1,0,1,0,0|1,0,1]=4 470 B13R2.155 NC1CCC2=CC=C(O)C=C2C1 MC444617 [0,1,0,1,0,0|1,0,0]=3 471 B13R2.155 O=C1COC2=CC=C(Cl)C=C2C1 CS16680 [0,1,0,1,0,0|1,0,1]=4 472 B13R2.611 COC1=C2C=CNC2=C(Br)C=C1 CS10793 [0,1,0,1,0,0|0,0,2]=4 473 B13R2.2136 NCC1=NOC2=C1C=C(F)C=C2 MC432596 [0,1,0,1,0,0|1,0,1]=4 474 B13R2.5179 NC1=CC=C2C(=O)NCCC2=C1 MC431590 [0,1,0,1,0,0|2,0,0]=4 475 B13R2.5179 O=C1NCCC2=CC(Br)=CC=C12 CS18011 [0,1,0,1,0,0|2,0,0]=4 476 B13R2.5179 O=C1NCCC2=CC(Cl)=CC=C12 CS18170 [0,1,0,1,0,0|2,0,0]=4 477 B13R2.5179 O=C1NCCC2=CC(O)=CC=C12 CS17654 [0,1,0,1,0,0|2,0,0]=4 478 B13R2.121 COC1=C2C=NNC2=CC=C1Br MC100877 [0,1,0,1,0,0|1,0,1]=4 479 B13R2.4818 CN1CCCC2=CC=CC(O)=C21 MC104408 [0,1,0,1,0,0|2,0,0]=4 480 B13R2.4818 O=C1NCCC2=CC=CC(Br)=C12 CS17198 [0,1,0,1,0,0|2,0,0]=4 481 B13R2.342 NC1=C2CCNC(=O)C2=CC=C1 MC442483 [0,1,0,1,0,0|2,0,0]=4 482 B13R2.342 O=C1NCCC2=C(O)C=CC=C12 CS15002 [0,1,0,1,0,0|2,0,0]=4 483 B9R1.33 CN1C=CC=C1CCO MC106498 [1,0,0,0,1,0|2,0,0]=4 484 B9R1.14 COC1=CSC=C1OC CS10119 [1,0,0,0,1,0|2,0,0]=4