0 B10R1.15 C#CC(O)C1=CC=NC=C1 CS16716 [0,0,0,0,0,0|1,0,2]=3 1 B10R1.15 C=C(C#N)C1=CC=CC=C1 MC106124 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.15 C=C(CBr)C1=CC=CC=C1 CS20091 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.15 C=CC(N)C1=CC=CC=C1 MC102512 [0,0,0,0,0,0|1,0,2]=3 4 B10R1.15 CC(CN)C1=CC=CC=C1 CS10909 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.15 CC(CN)c1ccccc1 MC110750 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.15 CC(NO)c1ccccc1 MC103844 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.15 CC(NO)c1ccccc1 MC103845 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.15 CCC(C)C1=CC=CC=C1 CS11947 [0,0,0,0,0,0|1,0,0]=1 9 B10R1.15 CCC(C)C1=CC=CC=C1 MC433489 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.15 CCC(N)C1=CC=CC=C1 MC20337 [0,0,0,0,0,0|1,0,0]=1 11 B10R1.15 CCC(N)C1=NC=CN=C1 MC104764 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.15 CN(C=O)C1=CC=CC=C1 CS11793 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.15 COC(=N)C1=NC=CC=C1 MC106728 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.15 COC(=O)C1=CC=CC=C1 MC40065 [0,0,0,0,0,0|1,0,2]=3 15 B10R1.15 COC(=O)C1=CC=NC=C1 CS18945 [0,0,0,0,0,0|2,0,2]=4 16 B10R1.15 COC(=O)C1=CN=CC=C1 CS19425 [0,0,0,0,0,0|2,0,2]=4 17 B10R1.15 COC(=O)C1=NC=CC=C1 CS19684 [0,0,0,0,0,0|2,0,2]=4 18 B10R1.15 FC(CBr)C1=CC=CC=C1 MC102769 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.15 N#CC(N)C1=CC=CC=C1 MC31161 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.15 NC(CO)C1=CC=CC=C1 CS10553 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.15 NC(CO)C1=CC=CC=C1 CS10555 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.15 NC(CO)C1=CC=CC=C1 CS15860 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.15 NC(CO)C1=NC=CC=C1 MC111155 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.15 NCC(=O)C1=CC=CC=C1 CS10874 [0,0,0,0,0,0|1,0,2]=3 25 B10R1.15 NCC(=O)C1=NC=CC=C1 MC33498 [0,0,0,0,0,0|2,0,2]=4 26 B10R1.15 NCC(O)C1=CC=CC=C1 CS20485 [0,0,0,0,0,0|1,0,0]=1 27 B10R1.15 NCC(O)C1=CC=CC=C1 MC444625 [0,0,0,0,0,0|1,0,0]=1 28 B10R1.15 NCC(O)C1=CC=CN=C1 MC103058 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.15 NCC(O)C1=NC=CC=C1 MC33503 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.15 NNC(=O)C1=CC=CC=C1 CS10971 [0,0,0,0,0,0|2,0,2]=4 31 B10R1.15 O=C(CBr)C1=CC=CC=C1 CS19274 [0,0,0,0,0,0|1,0,2]=3 32 B10R1.15 O=C(CBr)C1=CC=CN=C1 MC42216 [0,0,0,0,0,0|2,0,2]=4 33 B10R1.15 O=C(CBr)C1=CC=NC=C1 CS20175 [0,0,0,0,0,0|2,0,2]=4 34 B10R1.15 O=C(CCl)C1=CC=CC=C1 MC20159 [0,0,0,0,0,0|1,0,2]=3 35 B10R1.15 O=C(CI)C1=CC=CC=C1 MC433244 [0,0,0,0,0,0|1,0,2]=3 36 B10R1.15 OC(CBr)C1=CC=CC=C1 CS18840 [0,0,0,0,0,0|1,0,0]=1 37 B10R1.15 OC(CCl)C1=CC=CN=C1 MC103059 [0,0,0,0,0,0|2,0,0]=2 38 B10R1.15 OCC(F)C1=CC=CC=C1 MC430923 [0,0,0,0,0,0|2,0,0]=2 39 B9R1.6 C=C(C)C1=CC=NC=C1 MC111872 [1,0,0,0,0,0|2,0,1]=4 40 B9R1.6 C=C(F)C1=CC=CC=C1 MC102770 [1,0,0,0,0,0|1,0,2]=4 41 B9R1.6 CC(=O)C1=CC=CC=C1 MC41221 [1,0,0,0,0,0|0,0,2]=3 42 B9R1.6 CC(=O)C1=CC=CN=C1 CS18256 [1,0,0,0,0,0|1,0,2]=4 43 B9R1.6 CC(=O)C1=CC=NC=C1 CS22535 [1,0,0,0,0,0|1,0,2]=4 44 B9R1.6 CC(=O)C1=NC=CC=C1 CS18611 [1,0,0,0,0,0|1,0,2]=4 45 B9R1.6 CC(Br)C1=CC=CC=C1 MC40570 [1,0,0,0,0,0|1,0,0]=2 46 B9R1.6 CC(C)C1=NC=CC=C1 CS21621 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.6 CC(N)C1=CC=CC=C1 CS10551 [1,0,0,0,0,0|1,0,0]=2 48 B9R1.6 CC(N)C1=CC=CC=C1 MC20344 [1,0,0,0,0,0|1,0,0]=2 49 B9R1.6 CC(N)C1=CN=CN=C1 MC102354 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.6 CC(N)C1=CN=CN=C1 MC104062 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.6 CC(N)C1=CN=CN=C1 MC105298 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.6 CC(N)C1=CN=NC=C1 MC103837 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.6 CC(N)C1=NC=CC=C1 CS15370 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.6 CC(N)C1=NC=CC=C1 CS20271 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.6 CC(N)C1=NC=CC=N1 MC431305 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.6 CC(N)C1=NC=CN=C1 CS12997 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.6 CC(N)C1=NC=NC=C1 MC103926 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.6 CC(O)C1=CC=CC=C1 MC20383 [1,0,0,0,0,0|0,0,0]=1 59 B9R1.6 CC(O)C1=NC=CC=C1 CS20801 [1,0,0,0,0,0|1,0,0]=2 60 B9R1.6 CC(O)C1=NC=CC=C1 MC20310 [1,0,0,0,0,0|1,0,0]=2 61 B9R1.6 CN(C)C1=CC=CC=C1 MC40906 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.6 CN(C)C1=CC=NC=C1 CS13386 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.6 C[PH](=O)C1=CC=CC=C1 CS16386 [1,0,0,0,0,0|1,0,1]=3 64 B9R1.6 ClC(Cl)C1=CC=CC=C1 MC40608 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.6 FC(F)C1=CC=CC=C1 MC41442 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.6 FC(F)C1=CC=CN=C1 MC429164 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.6 FC(F)C1=CC=NC=C1 MC429159 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.6 FC(F)C1=NC=CC=C1 MC429160 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.6 N=C(N)C1=CC=CC=C1 CS14830 [1,0,0,0,0,0|2,0,1]=4 70 B9R1.6 NC(=O)C1=CC=CC=C1 CS10962 [1,0,0,0,0,0|1,0,2]=4 71 B9R1.6 NC(=S)C1=CC=CC=C1 MC20863 [1,0,0,0,0,0|1,1,1]=4 72 B9R1.6 O=C(Cl)C1=CC=CC=C1 MC40435 [1,0,0,0,0,0|1,0,2]=4 73 B9R1.6 O=C(O)C1=CC=CC=C1 MC40233 [1,0,0,0,0,0|1,0,1]=3 74 B9R1.6 O=C(O)C1=CC=CN=C1 MC41633 [1,0,0,0,0,0|2,0,1]=4 75 B9R1.6 O=C(O)C1=NC=CC=C1 CS13384 [1,0,0,0,0,0|2,0,1]=4 76 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 MC41586 [1,0,0,0,0,0|2,0,1]=4 77 B9R1.6 OB(O)C1=CC=CC=C1 CS19450 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.6 OB(O)C1=CC=CN=C1 CS17797 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.6 OB(O)C1=CC=NC=C1 CS22018 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.6 OB(O)C1=NC=CC=C1 MC20201 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.8 BrCCC1=CC=CC=C1 MC40571 [1,0,0,0,0,0|1,0,0]=2 82 B9R1.8 Br[Zn]Cc1ccccc1 MC121333 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.8 CCCC1=CC=CN=C1 CS22402 [1,0,0,0,0,0|1,0,0]=2 84 B9R1.8 CCNC1=CC=CC=C1 MC40913 [1,0,0,0,0,0|1,0,0]=2 85 B9R1.8 CCOC1=NC=CC=C1 CS18732 [1,0,0,0,0,0|2,0,0]=3 86 B9R1.8 CCOC1=NC=CN=C1 CS21524 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.8 CNCC1=CC=CC=C1 MC10559 [1,0,0,0,0,0|1,0,0]=2 88 B9R1.8 CNCC1=CC=CC=C1 MC20323 [1,0,0,0,0,0|1,0,0]=2 89 B9R1.8 CNCC1=CC=CC=C1 MC21006 [1,0,0,0,0,0|1,0,0]=2 90 B9R1.8 CNCC1=CC=CN=C1 CS18846 [1,0,0,0,0,0|2,0,0]=3 91 B9R1.8 CNCC1=CN=CN=C1 MC103834 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.8 COCC1=NC=CC=C1 CS20909 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.8 ClCCC1=CC=CC=C1 MC40609 [1,0,0,0,0,0|1,0,0]=2 94 B9R1.8 ClCCC1=CC=NC=C1 CS17913 [1,0,0,0,0,0|2,0,0]=3 95 B9R1.8 FCCC1=CC=CC=C1 MC41557 [1,0,0,0,0,0|1,0,0]=2 96 B9R1.8 N#CCC1=CC=CN=C1 CS18407 [1,0,0,0,0,0|2,0,1]=4 97 B9R1.8 N#CCC1=CC=NC=C1 CS20239 [1,0,0,0,0,0|2,0,1]=4 98 B9R1.8 N#CCC1=NC=CC=C1 CS18926 [1,0,0,0,0,0|2,0,1]=4 99 B9R1.8 NCCC1=CC=CC=C1 MC40983 [1,0,0,0,0,0|1,0,0]=2 100 B9R1.8 NCCC1=CC=CN=C1 CS21892 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.8 NCCC1=NC=CC=C1 CS14064 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.8 NCCC1=NC=NC=C1 MC104796 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.8 NNCC1=CC=CC=C1 CS11006 [1,0,0,0,0,0|2,0,0]=3 104 B9R1.8 NNCC1=CC=CC=C1 CS12127 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.8 NNCC1=CC=CN=C1 MC111189 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.8 NNCC1=CC=CN=C1 MC111240 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.8 NNCC1=CC=NC=C1 MC111241 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.8 NNCC1=NC=CC=C1 MC111239 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.8 NOCC1=CC=CC=C1 CS14063 [1,0,0,0,0,0|2,0,0]=3 110 B9R1.8 O=C=NC1=CC=CC=C1 MC41051 [1,0,0,0,0,0|2,0,1]=4 111 B9R1.8 O=CCC1=CC=CN=C1 MC106360 [1,0,0,0,0,0|2,0,1]=4 112 B9R1.8 O=CCC1=CC=NC=C1 MC106357 [1,0,0,0,0,0|2,0,1]=4 113 B9R1.8 O=CNC1=CC=CC=C1 MC40924 [1,0,0,0,0,0|2,0,1]=4 114 B9R1.8 O=COC1=CC=CC=C1 MC40136 [1,0,0,0,0,0|2,0,1]=4 115 B9R1.8 OCCC1=CC=CC=C1 MC40745 [1,0,0,0,0,0|1,0,0]=2 116 B9R1.8 OCCC1=CN=CN=C1 CS12401 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.8 ONCC1=CC=CC=C1 CS11753 [1,0,0,0,0,0|2,0,0]=3 118 B11R1.7 C#CC(C)(O)C1=CC=CC=C1 MC425780 [0,1,0,0,0,0|0,0,2]=3 119 B11R1.7 CC(Br)(CBr)C1=CC=NC=C1 MC111871 [0,1,0,0,0,0|3,0,0]=4 120 B11R1.7 FC(F)(CBr)C1=CC=CC=C1 MC106429 [0,1,0,0,0,0|2,0,0]=3 121 B11R1.7 NCC(F)(F)C1=NC=CC=C1 MC104009 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.7 OCC(F)(F)C1=CC=CC=C1 MC430789 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.12 CCB(CC)C1=CC=CN=C1 MC10329 [0,1,0,0,0,0|3,0,0]=4 124 B11R1.12 CCP(CC)c1ccccc1 MC444851 [0,1,0,0,0,0|2,0,0]=3 125 B11R1.12 CNC(CO)C1=CC=CC=C1 CS17955 [0,1,0,0,0,0|1,0,0]=2 126 B11R1.12 COC(OC)C1=NC=NC=C1 CS18195 [0,1,0,0,0,0|3,0,0]=4 127 B11R1.12 COC(OC)c1ccccc1 CS10959 [0,1,0,0,0,0|1,0,0]=2 128 B11R1.12 COP(OC)C1=CC=CC=C1 MC444856 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.12 NCC(CO)C1=CC=CC=C1 MC105854 [0,1,0,0,0,0|1,0,0]=2 130 B11R1.12 NCC(CO)C1=CC=CC=C1 MC105855 [0,1,0,0,0,0|1,0,0]=2 131 B11R1.12 OCC(CO)C1=CC=CC=C1 CS21198 [0,1,0,0,0,0|1,0,0]=2 132 B11R1.16 CC(N=C=O)C1=CC=CC=C1 MC20438 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.16 CCCC(=O)C1=CC=CN=C1 MC443690 [0,1,0,0,0,0|1,0,2]=4 134 B11R1.16 CCOC(=O)C1=CC=NC=C1 MC41618 [0,1,0,0,0,0|1,0,2]=4 135 B11R1.16 CCOC(=O)C1=CN=CC=C1 CS19194 [0,1,0,0,0,0|1,0,2]=4 136 B11R1.16 CCOC(=O)C1=NC=CC=C1 CS14035 [0,1,0,0,0,0|1,0,2]=4 137 B11R1.16 CN(CCN)C1=CC=CC=C1 CS11704 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.16 CNCC(C)C1=CC=CC=C1 MC446681 [0,1,0,0,0,0|1,0,0]=2 139 B11R1.16 CNCC(O)C1=CC=CC=C1 MC446674 [0,1,0,0,0,0|0,0,0]=1 140 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CS10995 [0,1,0,0,0,0|0,0,3]=4 141 B11R1.16 NC(CCO)C1=CC=CC=C1 CS18735 [0,1,0,0,0,0|1,0,0]=2 142 B11R1.16 NC(CCO)C1=CC=CC=C1 CS21217 [0,1,0,0,0,0|1,0,0]=2 143 B11R1.16 O=C(CCCl)C1=CC=CC=C1 MC41279 [0,1,0,0,0,0|0,0,2]=3 144 B11R1.16 OC(CCCl)C1=CC=CC=C1 CS10897 [0,1,0,0,0,0|0,0,0]=1 145 B11R1.16 OC(CCCl)C1=CC=CC=C1 CS22197 [0,1,0,0,0,0|0,0,0]=1 146 B11R1.16 OC(CCCl)C1=CC=CC=C1 MC20313 [0,1,0,0,0,0|0,0,0]=1 147 B11R1.22 CC(C#N)C1=CC=C(Br)C=C1 MC427374 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.22 CC(CN)C1=CC=C(Br)C=C1 MC103018 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.22 CC(CN)C1=CC=C(Br)C=C1 MC427281 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.22 CC(CN)C1=CC=C(O)C=C1 MC116255 [0,1,0,0,0,0|2,0,0]=3 151 B11R1.22 CC(NN)C1=CC=C(Cl)C=C1 MC110625 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 CS22698 [0,1,0,0,0,0|0,0,2]=3 153 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 CS22795 [0,1,0,0,0,0|0,0,2]=3 154 B11R1.22 CCC(=O)C1=CC=C(Cl)N=C1 CS20436 [0,1,0,0,0,0|1,0,2]=4 155 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 CS22846 [0,1,0,0,0,0|0,0,2]=3 156 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 CS15690 [0,1,0,0,0,0|0,0,2]=3 157 B11R1.22 CCC(C)C1=CC=C(Br)C=C1 CS18281 [0,1,0,0,0,0|1,0,0]=2 158 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 CS15303 [0,1,0,0,0,0|1,0,2]=4 159 B11R1.22 COC(=O)C1=CC=C(C)C=C1 MC40114 [0,1,0,0,0,0|1,0,2]=4 160 B11R1.22 COC(=O)C1=CC=C(F)C=C1 CS20841 [0,1,0,0,0,0|1,0,2]=4 161 B11R1.22 COC(=O)C1=CC=C(I)C=C1 CS20853 [0,1,0,0,0,0|1,0,2]=4 162 B11R1.22 COC(=O)C1=CC=C(N)C=C1 CS20990 [0,1,0,0,0,0|1,0,2]=4 163 B11R1.22 COC(=O)C1=CC=C(O)C=C1 CS19446 [0,1,0,0,0,0|1,0,2]=4 164 B11R1.22 FC1=CC=C(C(Br)CBr)C=C1 MC430994 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.22 NC(CO)C1=NC=C(F)C=C1 MC114776 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 CS10839 [0,1,0,0,0,0|1,0,2]=4 167 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 CS20894 [0,1,0,0,0,0|1,0,2]=4 168 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 MC431262 [0,1,0,0,0,0|1,0,0]=2 169 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 CS19445 [0,1,0,0,0,0|1,0,2]=4 170 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 MC433210 [0,1,0,0,0,0|1,0,2]=4 171 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 CS20678 [0,1,0,0,0,0|1,0,2]=4 172 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 CS10771 [0,1,0,0,0,0|1,0,2]=4 173 B11R1.22 O=C(CCl)C1=CC=C(Br)C=C1 CS14324 [0,1,0,0,0,0|1,0,2]=4 174 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 MC41236 [0,1,0,0,0,0|1,0,2]=4 175 B11R1.22 OCC(O)C1=CC=C(Br)C=C1 MC442284 [0,1,0,0,0,0|1,0,0]=2 176 B11R1.23 CCC(=O)C1=CC(Br)=CC=C1 MC41278 [0,1,0,0,0,0|0,0,2]=3 177 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 MC41280 [0,1,0,0,0,0|0,0,2]=3 178 B11R1.23 CCC(=O)C1=CC(F)=CC=C1 MC41284 [0,1,0,0,0,0|0,0,2]=3 179 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 MC433258 [0,1,0,0,0,0|0,0,2]=3 180 B11R1.23 CCC(N)C1=CC(Br)=CN=C1 MC112156 [0,1,0,0,0,0|2,0,0]=3 181 B11R1.23 COC(=O)C1=CC(Br)=CC=C1 CS20038 [0,1,0,0,0,0|1,0,2]=4 182 B11R1.23 COC(=O)C1=CC(C)=CC=C1 MC40113 [0,1,0,0,0,0|1,0,2]=4 183 B11R1.23 COC(=O)C1=CC(Cl)=CC=C1 CS11622 [0,1,0,0,0,0|1,0,2]=4 184 B11R1.23 COC(=O)C1=CC(F)=CC=C1 MC40102 [0,1,0,0,0,0|1,0,2]=4 185 B11R1.23 COC(=O)C1=CC(I)=CC=C1 CS19204 [0,1,0,0,0,0|1,0,2]=4 186 B11R1.23 COC(=O)C1=CC(N)=CC=C1 MC40055 [0,1,0,0,0,0|1,0,2]=4 187 B11R1.23 COC(=O)C1=CC(O)=CC=C1 CS13404 [0,1,0,0,0,0|1,0,2]=4 188 B11R1.23 COC(=O)C1=CC(S)=CC=C1 MC100369 [0,1,0,0,0,0|1,0,2]=4 189 B11R1.23 NC(CO)C1=CC(I)=CC=C1 MC103511 [0,1,0,0,0,0|2,0,0]=3 190 B11R1.23 NCC(O)C1=CC(Br)=CC=C1 MC111476 [0,1,0,0,0,0|1,0,0]=2 191 B11R1.23 O=C(CBr)C1=CC(Br)=CC=C1 MC41245 [0,1,0,0,0,0|1,0,2]=4 192 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 CS19056 [0,1,0,0,0,0|1,0,2]=4 193 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 CS15383 [0,1,0,0,0,0|1,0,2]=4 194 B11R1.23 O=C(CBr)C1=CC(O)=CC=C1 MC433217 [0,1,0,0,0,0|1,0,2]=4 195 B11R1.23 O=C(CCl)C1=CC(Cl)=CC=C1 MC20163 [0,1,0,0,0,0|1,0,2]=4 196 B11R1.23 OC(CBr)C1=CC(Br)=CC=C1 MC111475 [0,1,0,0,0,0|1,0,0]=2 197 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 MC443670 [0,1,0,0,0,0|0,0,2]=3 198 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 CS10890 [0,1,0,0,0,0|2,0,1]=4 199 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 CS14544 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.36 CC(C)C(=O)C1=CC=CN=C1 MC429968 [0,1,0,0,0,0|1,0,2]=4 201 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 CS15488 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.36 NC(=O)C(N)c1ccccc1 MC438104 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.36 NC(C(=O)Cl)C1=CC=CC=C1 CS15858 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 CS11192 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 CS14083 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.36 NC(C(=O)O)c1ccccc1 MC438102 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.36 NC(C(=O)O)c1ccccc1 MC438103 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS10861 [0,1,0,0,0,0|1,0,1]=3 209 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS10862 [0,1,0,0,0,0|1,0,1]=3 210 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS15279 [0,1,0,0,0,0|1,0,1]=3 211 B11R1.222 CC(CO)C1=C(Cl)C=CC=C1 MC111290 [0,1,0,0,0,0|2,0,0]=3 212 B11R1.222 CCC(=O)C1=C(Cl)C=CC=C1 CS15813 [0,1,0,0,0,0|0,0,2]=3 213 B11R1.222 CCC(=O)C1=C(N)C=CC=C1 MC430440 [0,1,0,0,0,0|0,0,2]=3 214 B11R1.222 CCC(=O)C1=CC=CN=C1N MC429975 [0,1,0,0,0,0|1,0,2]=4 215 B11R1.222 CCC(C)C1=C(N)C=CC=C1 CS21765 [0,1,0,0,0,0|1,0,0]=2 216 B11R1.222 CCC(N)C1=C(C)C=CC=C1 CS14530 [0,1,0,0,0,0|1,0,0]=2 217 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 CS20442 [0,1,0,0,0,0|1,0,2]=4 218 B11R1.222 CNC(=O)C1=C(S)C=CC=C1 MC42220 [0,1,0,0,0,0|1,0,2]=4 219 B11R1.222 COC(=O)C1=C(Br)C=CC=C1 MC20192 [0,1,0,0,0,0|1,0,2]=4 220 B11R1.222 COC(=O)C1=C(F)C=CC=C1 CS11605 [0,1,0,0,0,0|1,0,2]=4 221 B11R1.222 COC(=O)C1=C(I)C=CC=C1 CS15277 [0,1,0,0,0,0|1,0,2]=4 222 B11R1.222 COC(=O)C1=C(N)C=CC=C1 CS13618 [0,1,0,0,0,0|1,0,2]=4 223 B11R1.222 COC(=O)C1=C(S)C=CC=C1 MC40110 [0,1,0,0,0,0|1,0,2]=4 224 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 CS15388 [0,1,0,0,0,0|1,0,2]=4 225 B11R1.222 NCC(O)C1=C(F)C=CC=C1 MC431432 [0,1,0,0,0,0|1,0,0]=2 226 B11R1.222 NCC(O)C1=C(I)C=CC=C1 CS17962 [0,1,0,0,0,0|1,0,0]=2 227 B11R1.222 O=C(CBr)C1=C(Cl)C=CC=C1 CS14555 [0,1,0,0,0,0|1,0,2]=4 228 B11R1.222 O=C(CBr)C1=C(O)C=CC=C1 MC41230 [0,1,0,0,0,0|1,0,2]=4 229 B11R2.1 CC1=CCC2=CC=CC=C12 MC106180 [0,0,0,1,0,0|1,0,2]=4 230 B11R2.1 NC1CCC2=CC=CC=C21 CS16005 [0,0,0,1,0,0|1,0,0]=2 231 B11R2.1 NC1CCC2=CC=CC=C21 CS19275 [0,0,0,1,0,0|1,0,0]=2 232 B11R2.1 NC1CCC2=CC=CC=C21 CS19803 [0,0,0,1,0,0|1,0,0]=2 233 B11R2.1 NC1CCC2=CC=CC=C21 CS20307 [0,0,0,1,0,0|1,0,0]=2 234 B11R2.1 NC1CCC2=CC=CC=C21 MC425841 [0,0,0,1,0,0|1,0,0]=2 235 B11R2.1 NC1COC2=NC=CC=C21 MC443539 [0,0,0,1,0,0|3,0,0]=4 236 B11R2.1 O=C1CCC2=CC=CC=C12 CS18668 [0,0,0,1,0,0|0,0,2]=3 237 B11R2.1 O=C1CCC2=CC=CN=C12 CS10816 [0,0,0,1,0,0|1,0,2]=4 238 B11R2.1 O=C1CCC2=NC=CC=C12 CS18212 [0,0,0,1,0,0|1,0,2]=4 239 B11R2.1 O=C1COC2=C1C=CC=C2 CS20787 [0,0,0,1,0,0|1,0,2]=4 240 B11R2.1 O=C1CSC2=C1C=CC=C2 CS20606 [0,0,0,1,0,0|1,0,2]=4 241 B11R2.1 O=C1NCC2=CC=CC=C12 CS11515 [0,0,0,1,0,0|1,0,2]=4 242 B11R2.1 O=C1OCC2=CC=CC=C12 CS11853 [0,0,0,1,0,0|1,0,2]=4 243 B11R2.1 OC1=NOC2=C1C=CC=C2 MC442249 [0,0,0,1,0,0|2,0,1]=4 244 B11R2.1 OC1CCC2=CC=CN=C21 CS10573 [0,0,0,1,0,0|1,0,0]=2 245 B11R2.1 ON1N=NC2=C1C=CC=C2 CS19338 [0,0,0,1,0,0|3,0,0]=4 246 B11R2.1 ON1N=NC2=C1C=CC=C2 CS22993 [0,0,0,1,0,0|3,0,0]=4 247 B11R2.4 NC1CC1C2=CC=CC=C2 MC100890 [0,0,0,1,0,0|2,0,0]=3 248 B11R2.4 NC1CC1C2=CC=CC=C2 MC106461 [0,0,0,1,0,0|2,0,0]=3 249 B11R2.40 BrC1(C2=NC=CC=C2)CC1 MC431657 [0,0,0,1,0,0|2,0,0]=3 250 B11R2.40 NC1(C2=CC=CC=C2)CC1 MC425296 [0,0,0,1,0,0|1,0,0]=2 251 B11R2.40 NC1(C2=CC=CN=N2)CC1 MC102772 [0,0,0,1,0,0|3,0,0]=4 252 B11R2.40 NC1(C2=NC=CC=C2)CC1 MC115574 [0,0,0,1,0,0|2,0,0]=3 253 B11R2.40 NC1(C2=NC=CC=N2)CC1 MC104701 [0,0,0,1,0,0|3,0,0]=4 254 B11R2.40 NC1(C2=NC=CN=C2)CC1 MC104760 [0,0,0,1,0,0|3,0,0]=4 255 B11R2.40 NC1(c2ncccn2)CC1 MC104702 [0,0,0,1,0,0|3,0,0]=4 256 B11R1.40 C#CC(O)CC1=CC=CC=C1 MC425691 [0,0,0,0,0,1|0,0,2]=3 257 B11R1.40 CC(C#N)NC1=CC=CC=C1 MC428132 [0,0,0,0,0,1|2,0,1]=4 258 B11R1.40 CCC(=O)CC1=CC=CC=C1 MC41289 [0,0,0,0,0,1|0,0,2]=3 259 B11R1.40 NC(CO)CC1=CC=CC=C1 CS21216 [0,0,0,0,0,1|2,0,0]=3 260 B11R1.40 NC(CO)CC1=CC=CC=C1 MC425862 [0,0,0,0,0,1|2,0,0]=3 261 B11R1.40 O=C(CO)CC1=CC=CC=C1 MC107738 [0,0,0,0,0,1|1,0,2]=4 262 B8R0.4 CCC\C=C\C=C\CO CS17006 [1,0,1,0,0,0|1,0,1]=4 263 B8R1.2 BrCC1=CC=NC=C1 CS22459 [2,0,0,0,0,0|2,0,0]=4 264 B8R1.2 BrCC1=CC=NC=C1 MC111773 [2,0,0,0,0,0|2,0,0]=4 265 B8R1.2 C#CC1=CC=CC=C1 CS19127 [2,0,0,0,0,0|0,0,2]=4 266 B8R1.2 CCC1=CC=CC=C1 MC41556 [2,0,0,0,0,0|0,0,0]=2 267 B8R1.2 CCC1=CC=CN=C1 CS22277 [2,0,0,0,0,0|1,0,0]=3 268 B8R1.2 CCC1=NC=CN=C1 CS21534 [2,0,0,0,0,0|2,0,0]=4 269 B8R1.2 CNC1=CC=CC=C1 CS11792 [2,0,0,0,0,0|1,0,0]=3 270 B8R1.2 CNC1=CC=CN=C1 CS13856 [2,0,0,0,0,0|2,0,0]=4 271 B8R1.2 CNC1=CC=NC=C1 MC41620 [2,0,0,0,0,0|2,0,0]=4 272 B8R1.2 COC1=CC=CC=C1 MC41309 [2,0,0,0,0,0|1,0,0]=3 273 B8R1.2 COC1=CC=CN=C1 CS22348 [2,0,0,0,0,0|2,0,0]=4 274 B8R1.2 COC1=CC=NC=C1 CS19206 [2,0,0,0,0,0|2,0,0]=4 275 B8R1.2 COC1=NC=CC=C1 CS18780 [2,0,0,0,0,0|2,0,0]=4 276 B8R1.2 CSC1=CC=CC=C1 MC439137 [2,0,0,0,0,0|1,0,0]=3 277 B8R1.2 CSC1=NC=CC=C1 MC41628 [2,0,0,0,0,0|2,0,0]=4 278 B8R1.2 ClCC1=CC=CN=C1 CS19291 [2,0,0,0,0,0|2,0,0]=4 279 B8R1.2 ClCC1=NC=CC=C1 CS19289 [2,0,0,0,0,0|2,0,0]=4 280 B8R1.2 ICC1=CC=CC=C1 CS11000 [2,0,0,0,0,0|1,0,0]=3 281 B8R1.2 ICC1=CC=CN=C1 MC430640 [2,0,0,0,0,0|2,0,0]=4 282 B8R1.2 I[Zn]c1ccccc1 MC121332 [2,0,0,0,0,0|2,0,0]=4 283 B8R1.2 N#CC1=CC=CC=C1 MC40623 [2,0,0,0,0,0|1,0,1]=4 284 B8R1.2 N#Cc1ccccc1 CS13696 [2,0,0,0,0,0|1,0,1]=4 285 B8R1.2 NCC1=CC=CC=C1 MC40797 [2,0,0,0,0,0|1,0,0]=3 286 B8R1.2 NCC1=CC=CN=C1 CS14226 [2,0,0,0,0,0|2,0,0]=4 287 B8R1.2 NCC1=CC=NC=C1 CS11906 [2,0,0,0,0,0|2,0,0]=4 288 B8R1.2 NCC1=CC=NC=C1 CS19023 [2,0,0,0,0,0|2,0,0]=4 289 B8R1.2 NNC1=CC=CC=C1 CS15210 [2,0,0,0,0,0|2,0,0]=4 290 B8R1.2 NNC1=CC=CC=C1 MC427075 [2,0,0,0,0,0|2,0,0]=4 291 B8R1.2 O=NC1=CC=CC=C1 MC33163 [2,0,0,0,0,0|1,0,1]=4 292 B8R1.2 OCC1=CC=CC=C1 MC40684 [2,0,0,0,0,0|0,0,0]=2 293 B8R1.2 OCC1=CC=CN=C1 CS22409 [2,0,0,0,0,0|1,0,0]=3 294 B8R1.2 OCC1=CC=CN=N1 CS21870 [2,0,0,0,0,0|2,0,0]=4 295 B8R1.2 OCC1=CC=NC=C1 CS19163 [2,0,0,0,0,0|1,0,0]=3 296 B8R1.2 OCC1=CN=CN=C1 MC444370 [2,0,0,0,0,0|2,0,0]=4 297 B8R1.2 OCC1=CN=NC=C1 MC444363 [2,0,0,0,0,0|2,0,0]=4 298 B8R1.2 OCC1=NC=CC=C1 CS19164 [2,0,0,0,0,0|1,0,0]=3 299 B8R1.2 OCC1=NC=CC=N1 CS19924 [2,0,0,0,0,0|2,0,0]=4 300 B8R1.2 OCC1=NC=CN=C1 CS21749 [2,0,0,0,0,0|2,0,0]=4 301 B8R1.2 OCC1=NC=NC=C1 CS11915 [2,0,0,0,0,0|2,0,0]=4 302 B10R1.13 C=C(C)C1=CC=C(O)C=C1 MC441020 [1,1,0,0,0,0|1,0,1]=4 303 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 CS19447 [1,1,0,0,0,0|0,0,2]=4 304 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS13558 [1,1,0,0,0,0|0,0,2]=4 305 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS20014 [1,1,0,0,0,0|0,0,2]=4 306 B10R1.13 CC(=O)C1=CC=C(F)C=C1 CS14299 [1,1,0,0,0,0|0,0,2]=4 307 B10R1.13 CC(=O)C1=CC=C(N)C=C1 MC20162 [1,1,0,0,0,0|0,0,2]=4 308 B10R1.13 CC(=O)C1=CC=C(O)C=C1 CS22884 [1,1,0,0,0,0|0,0,2]=4 309 B10R1.13 CC(=O)c1ccc(I)cc1 MC433245 [1,1,0,0,0,0|0,0,2]=4 310 B10R1.13 CC(Br)C1=CC=C(F)C=C1 CS16140 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.13 CC(C)C1=CC=C(Br)C=C1 CS19162 [1,1,0,0,0,0|1,0,0]=3 312 B10R1.13 CC(C)C1=CC=C(N)C=C1 CS22915 [1,1,0,0,0,0|1,0,0]=3 313 B10R1.13 CC(C)C1=CC=C(N)C=N1 CS22406 [1,1,0,0,0,0|2,0,0]=4 314 B10R1.13 CC(C)C1=CN=C(Br)C=C1 MC432364 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.13 CC(C)C1=CN=C(Cl)C=C1 MC107619 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.13 CC(C)C1=CN=C(N)C=C1 CS21752 [1,1,0,0,0,0|2,0,0]=4 317 B10R1.13 CC(N)C1=CC=C(Br)C=C1 CS10540 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.13 CC(N)C1=CC=C(Br)C=C1 CS20256 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.13 CC(N)C1=CC=C(F)C=C1 CS19253 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.13 CC(N)C1=CC=C(F)C=C1 MC40832 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.13 CC(N)C1=CC=C(F)C=C1 MC429424 [1,1,0,0,0,0|1,0,0]=3 322 B10R1.13 CC(N)C1=CC=C(I)C=C1 MC113505 [1,1,0,0,0,0|1,0,0]=3 323 B10R1.13 CC(N)C1=CC=C(N)C=C1 CS22422 [1,1,0,0,0,0|1,0,0]=3 324 B10R1.13 CC(N)C1=NC=C(F)C=C1 CS16980 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.13 CC(N)C1=NC=C(F)C=C1 MC102962 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.13 CC(N)c1ccc(Cl)cc1 MC433903 [1,1,0,0,0,0|1,0,0]=3 327 B10R1.13 CC(O)C1=CC=C(F)C=C1 MC33129 [1,1,0,0,0,0|0,0,0]=2 328 B10R1.13 CC(O)C1=CC=C(N)C=C1 MC40728 [1,1,0,0,0,0|0,0,0]=2 329 B10R1.13 CC1=CC=C(B(O)O)C=C1 CS10128 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.13 CC1=CC=C(C(=O)O)C=C1 MC40304 [1,1,0,0,0,0|1,0,1]=4 331 B10R1.13 CN(C)C1=CC=C(Br)C=C1 CS15132 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 MC20289 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.13 CN(C)C1=CC=C(I)C=C1 CS16430 [1,1,0,0,0,0|2,0,0]=4 334 B10R1.13 CN(C)C1=CC=C(O)C=C1 CS16528 [1,1,0,0,0,0|2,0,0]=4 335 B10R1.13 CN(C)C1=CC=C(O)C=C1 MC442505 [1,1,0,0,0,0|2,0,0]=4 336 B10R1.13 Cc1ccc(C(C)C)cc1 MC444976 [1,1,0,0,0,0|1,0,0]=3 337 B10R1.13 FC(F)C1=CC=C(Br)C=C1 MC33151 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.13 FC1=CC=C(C(Cl)Cl)C=C1 MC33143 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.13 NC1=CC=C(B(O)O)C=C1 CS19513 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.13 NC1=CC=C(B(O)O)C=C1 MC442888 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.13 NC1=CC=C(C(=O)O)C=C1 MC40224 [1,1,0,0,0,0|1,0,1]=4 342 B10R1.13 NC1=CC=C(C(F)F)C=C1 CS17592 [1,1,0,0,0,0|2,0,0]=4 343 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 CS20082 [1,1,0,0,0,0|1,0,1]=4 344 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 CS15821 [1,1,0,0,0,0|1,0,1]=4 345 B10R1.13 O=C(O)C1=CC=C(F)C=C1 MC40280 [1,1,0,0,0,0|1,0,1]=4 346 B10R1.13 O=C(O)C1=CC=C(I)C=C1 CS20135 [1,1,0,0,0,0|1,0,1]=4 347 B10R1.13 O=C(O)C1=CC=C(O)C=C1 CS22885 [1,1,0,0,0,0|1,0,1]=4 348 B10R1.13 OB(O)C1=CC=C(Br)C=C1 CS19222 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 CS19227 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.13 OB(O)C1=CC=C(F)C=C1 CS23000 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.13 OB(O)C1=CC=C(I)C=C1 CS22011 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.13 OB(O)C1=CC=C(O)C=C1 CS19452 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.13 OB(O)C1=CC=C(S)C=C1 MC20067 [1,1,0,0,0,0|2,0,0]=4 354 B10R1.13 OC1=CC=C(C(F)F)C=C1 CS15692 [1,1,0,0,0,0|2,0,0]=4 355 B10R1.28 CC(C)(C)C1=CC=CC=C1 MC41559 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.28 CC(C)(C)C1=CC=CN=C1 MC430933 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.28 CC(C)(C)C1=CC=NC=C1 CS10123 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.28 CC(C)(N)C1=NC=CC=C1 MC430649 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.28 CC(C)(O)C1=NC=CC=C1 MC443311 [1,1,0,0,0,0|1,0,0]=3 360 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 MC100403 [1,1,0,0,0,0|1,0,1]=4 361 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 CS12052 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.28 C[Si](C)(Cl)C1=CC=CC=C1 CS11135 [1,1,0,0,0,0|1,1,0]=4 363 B10R1.28 FC(F)(F)C1=CC=CC=C1 MC41418 [1,1,0,0,0,0|2,0,0]=4 364 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 CS18866 [1,1,0,0,0,0|0,0,2]=4 365 B10R1.61 CC(=O)C1=C(C)C=CC=C1 CS19710 [1,1,0,0,0,0|0,0,2]=4 366 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 MC41234 [1,1,0,0,0,0|0,0,2]=4 367 B10R1.61 CC(=O)C1=C(F)C=CC=C1 CS15490 [1,1,0,0,0,0|0,0,2]=4 368 B10R1.61 CC(=O)C1=C(N)C=CC=C1 CS19948 [1,1,0,0,0,0|0,0,2]=4 369 B10R1.61 CC(=O)C1=C(O)C=CC=C1 CS15026 [1,1,0,0,0,0|0,0,2]=4 370 B10R1.61 CC(C)C1=C(Br)C=CC=C1 CS19988 [1,1,0,0,0,0|1,0,0]=3 371 B10R1.61 CC(C)C1=NC=CC=C1Br MC441304 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.61 CC(C)C1=NC=CC=C1N MC445692 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.61 CC(N)C1=C(Br)C=CC=C1 CS20301 [1,1,0,0,0,0|1,0,0]=3 374 B10R1.61 CC(N)C1=C(F)C=CC=C1 CS20318 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.61 CC(N)C1=C(F)C=CC=C1 MC429423 [1,1,0,0,0,0|1,0,0]=3 376 B10R1.61 CC(N)C1=NC=CC=C1F MC430350 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.61 CC(O)C1=C(Cl)C=CC=C1 CS13547 [1,1,0,0,0,0|0,0,0]=2 378 B10R1.61 CC(O)C1=C(F)C=CC=C1 CS15513 [1,1,0,0,0,0|0,0,0]=2 379 B10R1.61 CC(O)C1=C(F)C=CC=C1 MC33138 [1,1,0,0,0,0|0,0,0]=2 380 B10R1.61 CC1=C(B(O)O)C=CC=C1 CS20397 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.61 CC1=C(C(=O)O)C=CC=C1 CS19823 [1,1,0,0,0,0|1,0,1]=4 382 B10R1.61 CN(C)C1=C(Br)C=CC=C1 MC20183 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.61 CN(C)C1=C(Cl)C=CC=C1 MC20288 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.61 CN(C)C1=C(F)C=CC=C1 MC20285 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.61 CN(C)C1=C(O)C=CC=C1 CS14782 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.61 CN(C)C1=CC=CC=C1N CS14204 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.61 Cc1ccccc1C(C)Br MC106119 [1,1,0,0,0,0|1,0,0]=3 388 B10R1.61 NC1=C(B(O)O)C=CC=C1 CS19508 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.61 NC1=C(C(F)F)C=CC=C1 MC429268 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 CS16216 [1,1,0,0,0,0|1,0,1]=4 391 B10R1.61 O=C(O)C1=C(F)C=CC=C1 CS10366 [1,1,0,0,0,0|1,0,1]=4 392 B10R1.61 O=C(O)C1=C(I)C=CC=C1 CS20137 [1,1,0,0,0,0|1,0,1]=4 393 B10R1.61 O=C(O)C1=C(O)C=CC=C1 MC40289 [1,1,0,0,0,0|1,0,1]=4 394 B10R1.61 O=C(O)C1=C(S)C=CC=C1 MC40297 [1,1,0,0,0,0|1,0,1]=4 395 B10R1.61 OB(O)C1=C(Br)C=CC=C1 CS21842 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.61 OB(O)C1=C(Cl)C=CC=C1 CS19224 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.61 OB(O)C1=C(F)C=CC=C1 CS16291 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.61 OB(O)C1=C(I)C=CC=C1 MC443194 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.61 OB(O)C1=C(O)C=CC=C1 CS21880 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.61 OB(O)C1=C(S)C=CC=C1 MC100433 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 CS18865 [1,1,0,0,0,0|0,0,2]=4 402 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 CS19798 [1,1,0,0,0,0|0,0,2]=4 403 B10R1.113 CC(=O)C1=CC(F)=CC=C1 CS19067 [1,1,0,0,0,0|0,0,2]=4 404 B10R1.113 CC(=O)C1=CC(I)=CC=C1 MC33049 [1,1,0,0,0,0|0,0,2]=4 405 B10R1.113 CC(=O)C1=CC(N)=CC=C1 CS19441 [1,1,0,0,0,0|0,0,2]=4 406 B10R1.113 CC(=O)C1=CC(O)=CC=C1 CS18681 [1,1,0,0,0,0|0,0,2]=4 407 B10R1.113 CC(=O)C1=CC=CC(C)=C1 CS19159 [1,1,0,0,0,0|0,0,2]=4 408 B10R1.113 CC(C)C1=CC=CC(Br)=N1 MC434005 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.113 CC(C)C1=CC=CC(N)=N1 MC425411 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 MC431795 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.113 CC(C)c1cccc(Br)c1 MC433484 [1,1,0,0,0,0|1,0,0]=3 412 B10R1.113 CC(N)C1=CC(Cl)=NC=C1 MC105378 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.113 CC(N)C1=CC(F)=CC=C1 CS19312 [1,1,0,0,0,0|1,0,0]=3 414 B10R1.113 CC(N)C1=CC(F)=CC=C1 CS19671 [1,1,0,0,0,0|1,0,0]=3 415 B10R1.113 CC(N)C1=CC(F)=CC=C1 CS20262 [1,1,0,0,0,0|1,0,0]=3 416 B10R1.113 CC(N)C1=CC(F)=CC=C1 MC429421 [1,1,0,0,0,0|1,0,0]=3 417 B10R1.113 CC(N)C1=CC(F)=CN=C1 MC106300 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.113 CC(N)C1=CC=CC(N)=C1 MC116025 [1,1,0,0,0,0|1,0,0]=3 419 B10R1.113 CC(N)C1=CC=CC(O)=C1 MC431437 [1,1,0,0,0,0|1,0,0]=3 420 B10R1.113 CC(O)C1=CC(Br)=CC=C1 MC40729 [1,1,0,0,0,0|0,0,0]=2 421 B10R1.113 CC(O)C1=CC(F)=CC=C1 MC433887 [1,1,0,0,0,0|0,0,0]=2 422 B10R1.113 CC(O)C1=CC(F)=NC=C1 MC432297 [1,1,0,0,0,0|1,0,0]=3 423 B10R1.113 CC(O)C1=CC(N)=CC=C1 CS21787 [1,1,0,0,0,0|0,0,0]=2 424 B10R1.113 CC(O)C1=CC(N)=NC=C1 MC425261 [1,1,0,0,0,0|1,0,0]=3 425 B10R1.113 CC(O)C1=NC(Br)=CC=C1 CS14015 [1,1,0,0,0,0|1,0,0]=3 426 B10R1.113 CC1=CC(B(O)O)=CC=C1 CS10529 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.113 CC1=CC(C(C)N)=CC=C1 CS17345 [1,1,0,0,0,0|1,0,0]=3 428 B10R1.113 CC1=CC=CC(C(=O)O)=C1 CS19799 [1,1,0,0,0,0|1,0,1]=4 429 B10R1.113 CC1=CC=CC(C(O)=S)=C1 MC433710 [1,1,0,0,0,0|1,0,1]=4 430 B10R1.113 CC1=NC=CC(C(C)N)=C1 MC110560 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.113 CN(C)C1=CC(Br)=CC=C1 MC40867 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.113 CN(C)C1=CC(Cl)=CC=C1 MC40885 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.113 FC(F)C1=CC=CC(Br)=C1 CS12583 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.113 Fc1cccc(C(F)F)c1 MC433518 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.113 NC1=CC(C(F)F)=CC=C1 MC429089 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.113 NC1=CC=CC(B(O)O)=C1 CS11047 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.113 NC1=CC=CC(B(O)O)=C1 CS18152 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.113 NC1=CC=CC(B(O)O)=C1 CS19512 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.113 NC1=CC=CC(B(O)O)=C1 MC20897 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.113 NC1=CC=CC(C(=O)O)=C1 CS13396 [1,1,0,0,0,0|1,0,1]=4 441 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 CS15122 [1,1,0,0,0,0|1,0,1]=4 442 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 CS14882 [1,1,0,0,0,0|1,0,1]=4 443 B10R1.113 O=C(O)C1=CC(F)=CC=C1 CS10368 [1,1,0,0,0,0|1,0,1]=4 444 B10R1.113 O=C(O)C1=CC(I)=CC=C1 CS10375 [1,1,0,0,0,0|1,0,1]=4 445 B10R1.113 O=C(O)C1=CC(O)=CC=C1 CS19800 [1,1,0,0,0,0|1,0,1]=4 446 B10R1.113 O=C(O)C1=CC(S)=CC=C1 MC20304 [1,1,0,0,0,0|1,0,1]=4 447 B10R1.113 OB(O)C1=CC(Br)=CC=C1 CS19219 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.113 OB(O)C1=CC(Cl)=CC=C1 CS22999 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.113 OB(O)C1=CC(F)=CC=C1 CS21930 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.113 OB(O)C1=CC(O)=CC=C1 MC440047 [1,1,0,0,0,0|2,0,0]=4 451 B10R1.113 OC1=CC(C(F)F)=CC=C1 MC432160 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.1 Br[Zn]Cc1ccc(Br)cc1 MC121353 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.1 CC1=CC=C(CC#N)C=C1 CS21709 [1,1,0,0,0,0|1,0,1]=4 454 B10R1.1 CC1=CC=C(CCBr)C=C1 CS19977 [1,1,0,0,0,0|1,0,0]=3 455 B10R1.1 CC1=CC=C(CCN)C=C1 CS18979 [1,1,0,0,0,0|1,0,0]=3 456 B10R1.1 CC1=CC=C(CCO)C=C1 MC40744 [1,1,0,0,0,0|1,0,0]=3 457 B10R1.1 CC1=CC=C(CNN)C=C1 CS20201 [1,1,0,0,0,0|2,0,0]=4 458 B10R1.1 CCCC1=CC=C(Br)C=C1 CS10896 [1,1,0,0,0,0|0,0,0]=2 459 B10R1.1 CCOC1=CC=C(Br)C=C1 MC446797 [1,1,0,0,0,0|1,0,0]=3 460 B10R1.1 CCOC1=CC=C(I)C=C1 CS22907 [1,1,0,0,0,0|1,0,0]=3 461 B10R1.1 CCOC1=CC=C(N)C=C1 CS11879 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.1 CCOC1=CN=C(N)C=C1 CS15063 [1,1,0,0,0,0|2,0,0]=4 463 B10R1.1 CCOC1=NC=C(Br)C=C1 CS22026 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.1 CCOC1=NC=C(N)C=C1 CS14713 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.1 CNCC1=CC=C(Br)C=C1 CS19272 [1,1,0,0,0,0|1,0,0]=3 466 B10R1.1 CNCC1=CC=C(C)C=C1 CS11795 [1,1,0,0,0,0|1,0,0]=3 467 B10R1.1 CSCC1=NC=C(Br)C=C1 MC112104 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.1 ClC1=CC=C(CCBr)C=C1 CS10835 [1,1,0,0,0,0|1,0,0]=3 469 B10R1.1 ClCCC1=CC=C(Cl)C=C1 MC433885 [1,1,0,0,0,0|1,0,0]=3 470 B10R1.1 FC1=CC=C(CCBr)C=C1 CS10866 [1,1,0,0,0,0|1,0,0]=3 471 B10R1.1 Fc1ccc(C[Zn]Cl)cc1 MC121346 [1,1,0,0,0,0|2,0,0]=4 472 B10R1.1 N#CCC1=CC=C(Br)C=C1 CS20687 [1,1,0,0,0,0|1,0,1]=4 473 B10R1.1 N#CCC1=CC=C(Cl)C=C1 MC20790 [1,1,0,0,0,0|1,0,1]=4 474 B10R1.1 N#CCC1=CC=C(F)C=C1 CS14479 [1,1,0,0,0,0|1,0,1]=4 475 B10R1.1 N#CCC1=CC=C(I)C=C1 MC40782 [1,1,0,0,0,0|1,0,1]=4 476 B10R1.1 N#CCC1=CC=C(N)C=C1 MC40751 [1,1,0,0,0,0|1,0,1]=4 477 B10R1.1 NC1=CC=C(CCO)C=C1 CS13450 [1,1,0,0,0,0|1,0,0]=3 478 B10R1.1 NCCC1=CC=C(Br)C=C1 CS19296 [1,1,0,0,0,0|1,0,0]=3 479 B10R1.1 NCCC1=CC=C(Cl)C=C1 MC40975 [1,1,0,0,0,0|1,0,0]=3 480 B10R1.1 NCCC1=CC=C(F)C=C1 CS13766 [1,1,0,0,0,0|1,0,0]=3 481 B10R1.1 NCCC1=CC=C(N)C=C1 MC33045 [1,1,0,0,0,0|1,0,0]=3 482 B10R1.1 NCCC1=CC=C(O)C=C1 CS22315 [1,1,0,0,0,0|1,0,0]=3 483 B10R1.1 NCCC1=CNC(=O)C=C1 MC33499 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.1 NNCC1=CC=C(F)C=C1 CS17057 [1,1,0,0,0,0|2,0,0]=4 485 B10R1.1 O=CCC1=CC=C(Br)C=C1 CS18203 [1,1,0,0,0,0|1,0,1]=4 486 B10R1.1 OCCC1=CC=C(Br)C=C1 CS14491 [1,1,0,0,0,0|1,0,0]=3 487 B10R1.1 OCCC1=CC=C(Cl)C=C1 CS22791 [1,1,0,0,0,0|1,0,0]=3 488 B10R1.1 OCCC1=CC=C(F)C=C1 MC33200 [1,1,0,0,0,0|1,0,0]=3 489 B10R1.1 OCCC1=CC=C(I)C=C1 CS12086 [1,1,0,0,0,0|1,0,0]=3 490 B10R1.1 OCCC1=CC=C(O)C=C1 CS20458 [1,1,0,0,0,0|1,0,0]=3 491 B10R1.1 OCCC1=NC=C(Br)C=C1 MC102395 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.4 Br[Zn]Cc1ccccc1Br MC121351 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.4 CC1=C(CC#N)C=CC=C1 CS11825 [1,1,0,0,0,0|1,0,1]=4 494 B10R1.4 CC1=CC=CN=C1CCN MC33439 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.4 CCOC1=C(Br)C=CC=C1 MC20149 [1,1,0,0,0,0|1,0,0]=3 496 B10R1.4 CCOC1=C(Br)C=NC=C1 MC443330 [1,1,0,0,0,0|2,0,0]=4 497 B10R1.4 CCOC1=C(N)C=CC=C1 CS11823 [1,1,0,0,0,0|1,0,0]=3 498 B10R1.4 CCOC1=C(N)C=CN=C1 MC442472 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.4 CCOC1=C(O)C=CC=C1 MC41194 [1,1,0,0,0,0|1,0,0]=3 500 B10R1.4 CCOC1=CC=CN=C1C MC443397 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.4 CCOC1=CC=CN=C1O MC110935 [1,1,0,0,0,0|2,0,0]=4 502 B10R1.4 CNCC1=C(F)C=CC=C1 MC40828 [1,1,0,0,0,0|1,0,0]=3 503 B10R1.4 COCC1=C(Br)C=CC=C1 MC41399 [1,1,0,0,0,0|1,0,0]=3 504 B10R1.4 Fc1ccccc1C[Zn]Cl MC121344 [1,1,0,0,0,0|2,0,0]=4 505 B10R1.4 N#CCC1=C(Br)C=CC=C1 CS10707 [1,1,0,0,0,0|1,0,1]=4 506 B10R1.4 N#CCC1=C(Cl)C=CC=C1 CS21495 [1,1,0,0,0,0|1,0,1]=4 507 B10R1.4 N#CCC1=C(F)C=CC=C1 CS20772 [1,1,0,0,0,0|1,0,1]=4 508 B10R1.4 N#CCC1=C(I)C=CC=C1 MC40781 [1,1,0,0,0,0|1,0,1]=4 509 B10R1.4 N#CCC1=C(N)C=CC=C1 CS20914 [1,1,0,0,0,0|1,0,1]=4 510 B10R1.4 NCCC1=C(Br)C=CC=C1 CS15138 [1,1,0,0,0,0|1,0,0]=3 511 B10R1.4 NCCC1=C(F)C=CC=C1 CS14793 [1,1,0,0,0,0|1,0,0]=3 512 B10R1.4 NCCC1=C(N)C=CC=C1 CS15970 [1,1,0,0,0,0|1,0,0]=3 513 B10R1.4 NCCC1=NC=CC=C1Br MC104547 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.4 NCCN1C=CC=CC1=O MC431465 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.4 NNCC1=C(F)C=CC=C1 CS20134 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.4 NNCc1ccccc1F MC443842 [1,1,0,0,0,0|2,0,0]=4 517 B10R1.4 O=CCC1=C(F)C=CC=C1 MC431003 [1,1,0,0,0,0|1,0,1]=4 518 B10R1.4 OC1=C(CCI)C=CC=C1 MC430321 [1,1,0,0,0,0|1,0,0]=3 519 B10R1.4 OCCC1=C(Br)C=CC=C1 CS21407 [1,1,0,0,0,0|1,0,0]=3 520 B10R1.4 OCCC1=C(Cl)C=CC=C1 MC40737 [1,1,0,0,0,0|1,0,0]=3 521 B10R1.4 OCCC1=C(F)C=CC=C1 MC33149 [1,1,0,0,0,0|1,0,0]=3 522 B10R1.10 Br[Zn]Cc1cccc(Br)c1 MC121352 [1,1,0,0,0,0|2,0,0]=4 523 B10R1.10 C=CCC1=CC=CC(O)=C1 MC425380 [1,1,0,0,0,0|0,0,2]=4 524 B10R1.10 CC1=CC(CC#N)=CC=C1 CS18941 [1,1,0,0,0,0|1,0,1]=4 525 B10R1.10 CC1=CC(CCO)=CC=C1 CS22372 [1,1,0,0,0,0|1,0,0]=3 526 B10R1.10 CCCc1cccc(F)c1 MC440476 [1,1,0,0,0,0|0,0,0]=2 527 B10R1.10 CCNC1=NC=CC(N)=C1 CS14774 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.10 CCOC1=CC(Br)=NC=C1 MC430483 [1,1,0,0,0,0|2,0,0]=4 529 B10R1.10 CCOC1=CC(N)=NC=C1 MC20309 [1,1,0,0,0,0|2,0,0]=4 530 B10R1.10 CCOC1=CC=CC(N)=N1 MC33459 [1,1,0,0,0,0|2,0,0]=4 531 B10R1.10 CCOC1=CN=CC(Br)=C1 MC107004 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.10 CCOC1=CN=CC(Cl)=C1 MC443271 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.10 CCOC1=NC=CC(Cl)=C1 MC113277 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.10 CNCC1=CC(F)=CN=C1 MC105914 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.10 CNCC1=NC=CC(Cl)=C1 MC102697 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.10 COCC1=CC(Cl)=NC=C1 MC425095 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.10 FC1=CC=CC(CCBr)=C1 MC40572 [1,1,0,0,0,0|1,0,0]=3 538 B10R1.10 Fc1cccc(C[Zn]Cl)c1 MC121345 [1,1,0,0,0,0|2,0,0]=4 539 B10R1.10 N#CCC1=CC(Br)=CC=C1 CS18969 [1,1,0,0,0,0|1,0,1]=4 540 B10R1.10 N#CCC1=CC(Cl)=CC=C1 CS13745 [1,1,0,0,0,0|1,0,1]=4 541 B10R1.10 N#CCC1=CC(F)=CC=C1 MC20212 [1,1,0,0,0,0|1,0,1]=4 542 B10R1.10 N#CCC1=CC(N)=CC=C1 MC433930 [1,1,0,0,0,0|1,0,1]=4 543 B10R1.10 NC1=CC=CC(CCO)=C1 CS22105 [1,1,0,0,0,0|1,0,0]=3 544 B10R1.10 NCCC1=CC(Br)=CC=C1 CS15159 [1,1,0,0,0,0|1,0,0]=3 545 B10R1.10 NCCC1=CC(F)=CC=C1 MC40979 [1,1,0,0,0,0|1,0,0]=3 546 B10R1.10 NNCC1=CC(O)=CC=C1 MC10382 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.10 O=CCC1=CC(O)=CC=C1 MC106361 [1,1,0,0,0,0|1,0,1]=4 548 B10R1.10 OCCC1=CC(Br)=CC=C1 CS22186 [1,1,0,0,0,0|1,0,0]=3 549 B10R1.10 OCCC1=CC(Cl)=CC=C1 CS22241 [1,1,0,0,0,0|1,0,0]=3 550 B10R1.10 OCCC1=CC(F)=CC=C1 MC40743 [1,1,0,0,0,0|1,0,0]=3 551 B10R1.17 BrCCOC1=CC=CC=C1 MC20150 [1,1,0,0,0,0|1,0,0]=3 552 B10R1.17 Br[Zn]CCc1ccccc1 MC121341 [1,1,0,0,0,0|1,0,0]=3 553 B10R1.17 CNCCC1=CC=CC=C1 MC446670 [1,1,0,0,0,0|0,0,0]=2 554 B10R1.17 ClCCOC1=CC=CC=C1 MC33174 [1,1,0,0,0,0|1,0,0]=3 555 B10R1.17 ClC\C=C\C1=CC=CC=C1 MC41818 [1,1,0,0,0,0|0,0,2]=4 556 B10R1.17 NCCCC1=CC=NC=C1 MC425564 [1,1,0,0,0,0|1,0,0]=3 557 B10R1.17 NCCNC1=NC=CC=C1 CS11746 [1,1,0,0,0,0|2,0,0]=4 558 B10R1.17 NCCOC1=CC=CC=C1 CS20484 [1,1,0,0,0,0|1,0,0]=3 559 B10R1.17 NCCOC1=CC=CN=C1 CS16368 [1,1,0,0,0,0|2,0,0]=4 560 B10R1.17 NOCCC1=CC=NC=C1 MC427573 [1,1,0,0,0,0|2,0,0]=4 561 B10R1.17 OCCCC1=CC=NC=C1 CS22019 [1,1,0,0,0,0|1,0,0]=3 562 B10R1.17 OCCOC1=CC=CC=C1 MC41398 [1,1,0,0,0,0|1,0,0]=3 563 B10R1.18 CC(=O)CC1=CC=CN=C1 MC102696 [1,1,0,0,0,0|1,0,1]=4 564 B10R1.18 CC(=O)CC1=CC=NC=C1 CS20988 [1,1,0,0,0,0|1,0,1]=4 565 B10R1.18 CC(=O)CC1=NC=CC=C1 CS20802 [1,1,0,0,0,0|1,0,1]=4 566 B10R1.18 CC(=O)NC1=CC=CC=C1 MC34102 [1,1,0,0,0,0|1,0,1]=4 567 B10R1.18 CC(Br)CC1=CC=CC=C1 MC41813 [1,1,0,0,0,0|0,0,0]=2 568 B10R1.18 CC(C)NC1=CC=CC=C1 CS11787 [1,1,0,0,0,0|1,0,0]=3 569 B10R1.18 CC(C)OC1=CC=CC=C1 MC41360 [1,1,0,0,0,0|1,0,0]=3 570 B10R1.18 FC(F)OC1=CC=CC=C1 MC41385 [1,1,0,0,0,0|2,0,0]=4 571 B10R1.18 FC(F)SC1=CC=CC=C1 MC428027 [1,1,0,0,0,0|2,0,0]=4 572 B10R1.18 O=C([O-])CC1=CC=CC=C1 MC34448 [1,1,0,0,0,0|1,0,1]=4 573 B10R1.11 OC(CCCl)C1=CC=CS1 MC114890 [0,1,0,0,1,0|1,0,0]=3 574 B10R1.14 CCC(N)C1=CC=C(C)O1 CS16467 [0,1,0,0,1,0|2,0,0]=4 575 B10R1.149 CC1=C(C(O)CN)SC=C1 MC107758 [0,1,0,0,1,0|2,0,0]=4 576 B10R1.149 CN1C=CC=C1C(O)CN MC107741 [0,1,0,0,1,0|2,0,0]=4 577 B12R1.32 CCNC(=S)NC1=CC=CC=C1 MC427354 [0,1,0,0,0,1|0,1,1]=4 578 B12R1.32 CN(CCO)CC1=CC=CC=C1 CS11755 [0,1,0,0,0,1|2,0,0]=4 579 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 MC20366 [0,1,0,0,0,1|2,0,0]=4 580 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS15800 [0,1,0,0,0,1|1,0,1]=4 581 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS21095 [0,1,0,0,0,1|1,0,1]=4 582 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 MC438099 [0,1,0,0,0,1|1,0,1]=4 583 B12R1.49 NC(CO)CC1=CC=C(I)C=C1 MC115448 [0,1,0,0,0,1|2,0,0]=4 584 B12R1.49 NC(CO)Cc1ccc(O)cc1 MC439069 [0,1,0,0,0,1|2,0,0]=4 585 B12R1.50 CCC(=O)NC1=CC(N)=CC=C1 CS21194 [0,1,0,0,0,1|0,0,2]=4 586 B12R1.50 CCC(C)OC1=CC=CC(O)=C1 MC112599 [0,1,0,0,0,1|1,0,0]=3 587 B12R1.50 NC(CO)CC1=CC(F)=CC=C1 MC431472 [0,1,0,0,0,1|2,0,0]=4 588 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 MC34003 [0,1,0,0,0,1|2,0,0]=4 589 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 MC34004 [0,1,0,0,0,1|2,0,0]=4 590 B12R1.9 CC(C)(CN)C1=CC=C(Br)C=C1 MC427286 [0,2,0,0,0,0|2,0,0]=4 591 B12R1.9 CC(C)(CN)C1=CC=C(I)C=C1 MC106337 [0,2,0,0,0,0|2,0,0]=4 592 B12R1.9 CCC(C)(C)C1=CC=C(O)C=C1 CS15993 [0,2,0,0,0,0|1,0,0]=3 593 B12R1.9 CCS(=O)(=O)C1=CC=C(Br)C=C1 MC429144 [0,2,0,0,0,0|1,0,1]=4 594 B12R1.9 CCS(=O)(=O)C1=CC=C(C)C=C1 MC111842 [0,2,0,0,0,0|1,0,1]=4 595 B12R1.9 CCS(=O)(=O)C1=CC=C(F)C=C1 MC112595 [0,2,0,0,0,0|1,0,1]=4 596 B12R1.10 CC[N+](C)(C)C1=CC(O)=CC=C1 CS11300 [0,2,0,0,0,0|2,0,0]=4 597 B12R1.253 CC(=O)C(F)(F)C1=CC=CC=C1 MC430930 [0,2,0,0,0,0|1,0,1]=4 598 B12R1.12 CC1=CC=C(C(CN)CO)C=C1 MC105877 [0,2,0,0,0,0|1,0,0]=3 599 B12R1.12 CC1=CC=C(C(CN)CO)C=C1 MC105878 [0,2,0,0,0,0|1,0,0]=3 600 B12R1.12 NCC(CO)C1=CC=C(Br)C=C1 MC105893 [0,2,0,0,0,0|1,0,0]=3 601 B12R1.12 NCC(CO)C1=CC=C(Br)C=C1 MC105894 [0,2,0,0,0,0|1,0,0]=3 602 B12R1.12 NCC(CO)C1=CC=C(Cl)C=C1 MC105869 [0,2,0,0,0,0|1,0,0]=3 603 B12R1.12 NCC(CO)C1=CC=C(Cl)C=C1 MC105870 [0,2,0,0,0,0|1,0,0]=3 604 B12R1.12 NCC(CO)C1=CC=C(F)C=C1 MC105861 [0,2,0,0,0,0|1,0,0]=3 605 B12R1.12 NCC(CO)C1=CC=C(F)C=C1 MC105862 [0,2,0,0,0,0|1,0,0]=3 606 B12R1.13 COC(OC)C1=CN=CC(Br)=C1 MC425379 [0,2,0,0,0,0|2,0,0]=4 607 B12R1.243 COC(OC)C1=C(I)C=CC=C1 MC20293 [0,2,0,0,0,0|1,0,0]=3 608 B12R1.478 CC(C)C(NO)C1=CC=CC=C1 MC107667 [0,2,0,0,0,0|0,0,0]=2 609 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 CS20312 [0,2,0,0,0,0|0,0,0]=2 610 B12R1.478 CCC(C1=CC=CC=C1)=C(Br)Br MC107155 [0,2,0,0,0,0|1,0,1]=4 611 B12R1.478 CNC(C(=O)O)c1ccccc1 MC437936 [0,2,0,0,0,0|1,0,0]=3 612 B12R1.478 CNC(C(=O)O)c1ccccc1 MC437937 [0,2,0,0,0,0|1,0,0]=3 613 B12R1.478 CNC(C(=O)O)c1ccccc1 MC437938 [0,2,0,0,0,0|1,0,0]=3 614 B12R1.478 COC(C(=O)O)c1ccccc1 MC428059 [0,2,0,0,0,0|1,0,0]=3 615 B12R1.478 NCC(C(=O)O)C1=CC=CC=C1 MC105852 [0,2,0,0,0,0|1,0,0]=3 616 B12R1.478 NCC(C(=O)O)C1=CC=CC=C1 MC105853 [0,2,0,0,0,0|1,0,0]=3 617 B12R1.16 CCOC(=O)C1=CC=C(Br)C=C1 CS11362 [0,2,0,0,0,0|0,0,2]=4 618 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 CS11363 [0,2,0,0,0,0|0,0,2]=4 619 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 CS21694 [0,2,0,0,0,0|0,0,2]=4 620 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 CS19762 [0,2,0,0,0,0|0,0,2]=4 621 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 CS18640 [0,2,0,0,0,0|0,0,2]=4 622 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 CS11969 [0,2,0,0,0,0|0,0,0]=2 623 B12R1.16 NC(CCO)C1=CC=C(Cl)C=C1 CS14753 [0,2,0,0,0,0|1,0,0]=3 624 B12R1.16 NC(CCO)C1=CC=C(F)C=C1 CS19558 [0,2,0,0,0,0|1,0,0]=3 625 B12R1.16 NC(CCO)C1=CC=C(F)C=C1 MC106616 [0,2,0,0,0,0|1,0,0]=3 626 B12R1.16 O=C(CCCl)C1=CC=C(Br)C=C1 MC41277 [0,2,0,0,0,0|0,0,2]=4 627 B12R1.16 O=C(CCCl)C1=CC=C(Cl)C=C1 MC433259 [0,2,0,0,0,0|0,0,2]=4 628 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 CS14887 [0,2,0,0,0,0|0,0,2]=4 629 B12R1.17 CCOC(=O)C1=CC(Br)=CC=C1 MC40031 [0,2,0,0,0,0|0,0,2]=4 630 B12R1.17 CCOC(=O)C1=CC(I)=CC=C1 CS11354 [0,2,0,0,0,0|0,0,2]=4 631 B12R1.17 CCOC(=O)C1=CC(N)=CC=C1 MC40025 [0,2,0,0,0,0|0,0,2]=4 632 B12R1.17 CCOC(=O)C1=CC(O)=CC=C1 CS11352 [0,2,0,0,0,0|0,0,2]=4 633 B12R1.17 NC(CCO)C1=CC(Cl)=CC=C1 CS19263 [0,2,0,0,0,0|1,0,0]=3 634 B12R1.30 CCCOC(=O)C1=CC=CC=C1 CS11887 [0,2,0,0,0,0|0,0,2]=4 635 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 MC40015 [0,2,0,0,0,0|0,0,2]=4 636 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS20784 [0,2,0,0,0,0|0,0,2]=4 637 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC42229 [0,2,0,0,0,0|1,0,1]=4 638 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC428246 [0,2,0,0,0,0|1,0,1]=4 639 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 CS22312 [0,2,0,0,0,0|0,0,1]=3 640 B12R1.308 CCCC(=O)C1=C(N)C=CC=C1 MC430441 [0,2,0,0,0,0|0,0,2]=4 641 B12R1.308 CCOC(=O)C1=C(Br)C=CC=C1 MC20191 [0,2,0,0,0,0|0,0,2]=4 642 B12R1.308 CCOC(=O)C1=C(C)C=CC=C1 MC40044 [0,2,0,0,0,0|0,0,2]=4 643 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 CS11340 [0,2,0,0,0,0|0,0,2]=4 644 B12R1.308 CCOC(=O)C1=CC=CC=C1O MC34575 [0,2,0,0,0,0|0,0,2]=4 645 B12R1.308 O=C(CCCl)C1=C(Cl)C=CC=C1 MC429389 [0,2,0,0,0,0|0,0,2]=4 646 B12R1.5 CCC(=O)C1=CC=C(CC)C=C1 MC433261 [0,2,0,0,0,0|0,0,2]=4 647 B12R1.5 COC1=CC=C(C(O)CN)C=C1 MC431260 [0,2,0,0,0,0|1,0,0]=3 648 B12R1.20 CC(C)S(=O)C1=CC=C(Br)C=C1 CS16783 [0,2,0,0,0,0|1,0,1]=4 649 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 MC115598 [0,2,0,0,0,0|1,0,1]=4 650 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 CS20354 [0,2,0,0,0,0|1,0,1]=4 651 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 MC40159 [0,2,0,0,0,0|1,0,1]=4 652 B12R1.20 O=C(O)C(O)c1ccc(Br)cc1 MC115599 [0,2,0,0,0,0|1,0,1]=4 653 B12R1.367 CCC(=O)C1=CC(F)=C(F)C=C1 MC41281 [0,2,0,0,0,0|0,0,2]=4 654 B12R1.1703 CCC(=O)C1=C(F)C=C(Br)C=C1 MC442253 [0,2,0,0,0,0|0,0,2]=4 655 B12R1.24 CCC(=O)C1=C(Br)C(F)=CC=C1 MC443267 [0,2,0,0,0,0|0,0,2]=4 656 B12R1.225 CC(C1=CC=CC(O)=C1)N(C)C MC445154 [0,2,0,0,0,0|2,0,0]=4 657 B12R1.225 CC(c1cccc(O)c1)N(C)C MC445158 [0,2,0,0,0,0|2,0,0]=4 658 B12R1.225 O=C(O)C(O)C1=CC(F)=CC=C1 CS13705 [0,2,0,0,0,0|1,0,1]=4 659 B12R1.354 CCC(=O)C1=C(N)C=CC(Br)=C1 MC443456 [0,2,0,0,0,0|0,0,2]=4 660 B12R1.354 CCC(=O)C1=C(O)C=CC(F)=C1 MC41283 [0,2,0,0,0,0|0,0,2]=4 661 B12R1.354 CCC(N)C1=C(F)C=CC(F)=C1 MC107000 [0,2,0,0,0,0|1,0,0]=3 662 B12R1.358 CCC(=O)c1cc(Cl)cc(Cl)c1 MC433260 [0,2,0,0,0,0|0,0,2]=4 663 B12R1.435 CCC(=O)C1=CC(OC)=CC=C1 CS22346 [0,2,0,0,0,0|0,0,2]=4 664 B12R1.124 CC(=O)C(Br)C1=C(F)C=CC=C1 MC432040 [0,2,0,0,0,0|1,0,1]=4 665 B12R1.124 NC1=C(C(O)C(=O)[O-])C=CC=C1 MC427355 [0,2,0,0,0,0|1,0,1]=4 666 B12R1.124 O=C(O)C(O)C1=C(Cl)C=CC=C1 CS10783 [0,2,0,0,0,0|1,0,1]=4 667 B12R1.564 CC(C)(C)C(N)C1=CC=CC=C1 CS11465 [0,2,0,0,0,0|1,0,0]=3 668 B12R1.564 CC(C)(O)C(=O)C1=CC=CC=C1 CS15837 [0,2,0,0,0,0|0,0,2]=4 669 B12R1.564 OC(c1ccccc1)C(F)(F)F MC433883 [0,2,0,0,0,0|1,0,0]=3 670 B10R2.6 C1=CC=C(C2CO2)C=C1 MC20326 [1,0,0,1,0,0|0,0,0]=2 671 B10R2.6 C1=CC=C(C2CO2)C=C1 MC445226 [1,0,0,1,0,0|0,0,0]=2 672 B10R2.7 C1=CC2=C(C=C1)CSC2 MC114506 [1,0,0,1,0,0|1,0,0]=3 673 B10R2.7 C1=CC2=C(C=C1)OCC2 CS20929 [1,0,0,1,0,0|1,0,0]=3 674 B10R2.7 C1=CC2=C(C=C1)OCO2 CS20505 [1,0,0,1,0,0|2,0,0]=4 675 B10R2.7 C1=CC2=C(C=N1)CNC2 MC425268 [1,0,0,1,0,0|2,0,0]=4 676 B10R2.7 C1=CC2=C(C=N1)CNC2 MC428164 [1,0,0,1,0,0|2,0,0]=4 677 B10R2.7 C1=CC=C2CC=CC2=C1 MC20914 [1,0,0,1,0,0|0,0,2]=4 678 B10R2.7 C1=CC=C2CNCC2=C1 CS11516 [1,0,0,1,0,0|1,0,0]=3 679 B10R2.7 C1=CC=C2CNCC2=C1 MC442466 [1,0,0,1,0,0|1,0,0]=3 680 B10R2.7 C1=CC=C2NCCC2=C1 CS19084 [1,0,0,1,0,0|1,0,0]=3 681 B10R2.7 C1=CN=C2CCCC2=C1 CS14838 [1,0,0,1,0,0|1,0,0]=3 682 B10R2.7 C1=CN=C2CCNC2=C1 MC107728 [1,0,0,1,0,0|2,0,0]=4 683 B10R2.7 C1=CN=C2CNCC2=C1 CS15341 [1,0,0,1,0,0|2,0,0]=4 684 B10R2.7 C1=CN=C2NCCC2=C1 CS21039 [1,0,0,1,0,0|2,0,0]=4 685 B10R2.7 c1cc2c(cn1)CNC2 MC113094 [1,0,0,1,0,0|2,0,0]=4 686 B10R2.16 NC1(C2=CC=CO2)CC1 MC425303 [0,0,0,1,1,0|2,0,0]=4 687 B12R2.18 NC1C2=CC=CC=C2CC1O CS13576 [0,0,0,1,0,1|1,0,0]=3 688 B12R2.18 NC1C2=CC=CC=C2CC1O MC20312 [0,0,0,1,0,1|1,0,0]=3 689 B12R2.18 NC1CC2=CC=CC=C2C1O MC446701 [0,0,0,1,0,1|2,0,0]=4 690 B12R2.23 O=C1CCC1C2=CC=CC=C2 MC104226 [0,0,0,1,0,1|0,0,2]=4 691 B12R2.24 CC1CNC2=CC=CC=C2C1 MC33343 [0,0,0,1,0,1|2,0,0]=4 692 B12R2.24 CN1CCC2=CC=CC=C2C1 CS16157 [0,0,0,1,0,1|2,0,0]=4 693 B12R2.24 NC1CCC2=CC=CC=C2C1 CS18799 [0,0,0,1,0,1|1,0,0]=3 694 B12R2.24 NC1CCC2=CC=CC=C2C1 MC106682 [0,0,0,1,0,1|1,0,0]=3 695 B12R2.24 NC1CCC2=CC=CC=C2C1 MC106683 [0,0,0,1,0,1|1,0,0]=3 696 B12R2.24 NN1CCC2=CC=CC=C2C1 MC442441 [0,0,0,1,0,1|2,0,0]=4 697 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 MC440135 [0,0,0,1,0,1|0,0,2]=4 698 B12R2.24 O=C1CCC2=CC=CC=C2N1 CS11038 [0,0,0,1,0,1|0,0,2]=4 699 B12R2.24 O=C1CCc2ccccc2O1 MC41795 [0,0,0,1,0,1|0,0,2]=4 700 B12R2.32 BrCC1=NC2=C(C=CC=C2)O1 CS12836 [0,0,0,1,0,1|1,0,1]=4 701 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 CS18815 [0,0,0,1,0,1|1,0,1]=4 702 B12R2.32 CSC1=NC2=C(C=CC=C2)O1 MC31049 [0,0,0,1,0,1|1,0,1]=4 703 B12R2.32 ClCC1=NC2=C(C=CC=C2)O1 MC442523 [0,0,0,1,0,1|1,0,1]=4 704 B12R2.32 NCC1=CC2=C(C=CC=C2)O1 MC111185 [0,0,0,1,0,1|1,0,1]=4 705 B12R2.32 OCC1CC2=C(C=CC=C2)O1 CS21037 [0,0,0,1,0,1|1,0,0]=3 706 B12R2.32 OCC1CC2=CC=CC=C2N1 MC105284 [0,0,0,1,0,1|2,0,0]=4 707 B12R2.94 ClC1(SC2=CC=CC=C2)CC1 MC121263 [0,0,0,1,0,1|1,0,0]=3 708 B12R2.48 CNC1(C2=CC=CC=C2)CC1 MC431934 [0,1,0,1,0,0|1,0,0]=3 709 B12R2.48 N#CC1(C2=CC=CC=C2)CC1 CS19424 [0,1,0,1,0,0|1,0,0]=3 710 B12R2.48 O=CC1(C2=CC=CC=C2)CC1 MC115826 [0,1,0,1,0,0|0,0,1]=3 711 B12R2.116 NC1(C2=CC=CC=C2)CCC1 CS20790 [0,1,0,1,0,0|1,0,0]=3 712 B12R2.116 NC1(C2=CC=CC=C2)COC1 MC115717 [0,1,0,1,0,0|1,0,0]=3 713 B12R2.2403 CC1(C)NCC2=CC=CC=C21 MC101956 [0,1,0,1,0,0|2,0,0]=4 714 B12R2.2403 FC1(F)CNC2=CC=CC=C21 MC429867 [0,1,0,1,0,0|2,0,0]=4 715 B12R2.1 CNC1CCC2=CC=CC=C21 MC431440 [0,1,0,1,0,0|1,0,0]=3 716 B12R2.1 N#CC1CCC2=CC=CC=C21 CS13197 [0,1,0,1,0,0|1,0,0]=3 717 B12R2.2 C1=CC(C2CCCN2)=CC=N1 MC425217 [0,1,0,1,0,0|2,0,0]=4 718 B12R2.2 C1=CC=C(C2CCCN2)C=C1 CS11140 [0,1,0,1,0,0|1,0,0]=3 719 B12R2.2 C1=CC=C(C2CCCN2)C=C1 CS17953 [0,1,0,1,0,0|1,0,0]=3 720 B12R2.2 C1=CC=C(C2CCCN2)C=C1 MC105777 [0,1,0,1,0,0|1,0,0]=3 721 B12R2.2 C1=CC=C(C2CCNC2)C=C1 MC106676 [0,1,0,1,0,0|1,0,0]=3 722 B12R2.2 C1=CN=CC(C2CCCN2)=C1 CS21193 [0,1,0,1,0,0|2,0,0]=4 723 B12R2.2 C1=CN=CC(C2CCNC2)=C1 MC106144 [0,1,0,1,0,0|2,0,0]=4 724 B12R2.22 NC1CC(C2=CC=CC=C2)C1 MC103854 [0,1,0,1,0,0|1,0,0]=3 725 B12R2.22 NC1CC(C2=CC=CC=C2)C1 MC103855 [0,1,0,1,0,0|1,0,0]=3 726 B12R2.22 NC1CC(C2=CC=CC=C2)C1 MC105059 [0,1,0,1,0,0|1,0,0]=3 727 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 MC105058 [0,1,0,1,0,0|1,0,1]=4 728 B12R2.1081 CC1CCNC2=CC=CC=C21 CS17518 [0,1,0,1,0,0|1,0,0]=3 729 B12R2.1081 CC1CNCC2=CC=CC=C21 CS17240 [0,1,0,1,0,0|1,0,0]=3 730 B12R2.1081 CC1NCCC2=CC=CC=C21 CS12178 [0,1,0,1,0,0|1,0,0]=3 731 B12R2.1081 CC1NCCC2=CC=CC=C21 CS15270 [0,1,0,1,0,0|1,0,0]=3 732 B12R2.1081 CN1CCNC2=CC=CC=C21 CS19012 [0,1,0,1,0,0|2,0,0]=4 733 B12R2.1081 NC1CCCC2=C1C=CC=N2 MC103512 [0,1,0,1,0,0|2,0,0]=4 734 B12R2.1081 NC1CCCC2=C1N=CC=C2 CS18224 [0,1,0,1,0,0|2,0,0]=4 735 B12R2.1081 NC1CCCC2=CC=CC=C21 CS13980 [0,1,0,1,0,0|1,0,0]=3 736 B12R2.1081 NC1CCOC2=CC=CC=C21 CS18355 [0,1,0,1,0,0|1,0,0]=3 737 B12R2.1081 NC1COCC2=CC=CC=C21 MC100130 [0,1,0,1,0,0|1,0,0]=3 738 B12R2.1081 O=C1CCCC2=CC=CC=C12 CS14809 [0,1,0,1,0,0|0,0,2]=4 739 B12R2.1081 O=C1CCNC2=CC=CC=C12 CS15321 [0,1,0,1,0,0|0,0,2]=4 740 B12R2.1081 O=C1CCNC2=CC=CC=C12 MC441207 [0,1,0,1,0,0|0,0,2]=4 741 B12R2.1081 O=C1CCOC2=CC=CC=C12 CS22800 [0,1,0,1,0,0|0,0,2]=4 742 B12R2.1081 O=C1COCC2=C1C=CC=C2 MC41773 [0,1,0,1,0,0|0,0,2]=4 743 B12R2.1081 O=C1NCCC2=CC=CC=C12 CS17872 [0,1,0,1,0,0|0,0,2]=4 744 B12R2.1081 O=C1OCCC2=CC=CC=C12 CS12987 [0,1,0,1,0,0|0,0,2]=4 745 B12R2.1081 OC1CCCC2=C1N=CC=C2 CS18737 [0,1,0,1,0,0|1,0,0]=3 746 B12R2.1081 OC1CNCC2=CC=CC=C21 MC111757 [0,1,0,1,0,0|0,0,0]=2 747 B12R2.2028 O=C1CC(Br)C2=CC=CC=C12 CS22129 [0,1,0,1,0,0|0,0,2]=4 748 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 MC111254 [0,1,0,1,0,0|2,0,0]=4 749 B12R2.290 NC1(C2=NC=C(Br)C=C2)CC1 MC116272 [0,1,0,1,0,0|2,0,0]=4 750 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 MC446693 [0,1,0,1,0,0|0,0,2]=4 751 B12R2.612 ClC1CCC2=CC(Br)=CC=C21 CS16081 [0,1,0,1,0,0|1,0,0]=3 752 B12R2.612 NC1=CC=C2C(=O)CCC2=C1 MC446737 [0,1,0,1,0,0|0,0,2]=4 753 B12R2.612 NC1CCC2=CC(F)=CC=C21 MC431475 [0,1,0,1,0,0|1,0,0]=3 754 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 CS21498 [0,1,0,1,0,0|0,0,2]=4 755 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 CS22043 [0,1,0,1,0,0|0,0,2]=4 756 B12R2.612 O=C1CCC2=CC(F)=CC=C12 MC10164 [0,1,0,1,0,0|0,0,2]=4 757 B12R2.612 O=C1CCC2=CC(O)=CC=C12 CS11017 [0,1,0,1,0,0|0,0,2]=4 758 B12R2.2302 BrC1=CC=C(C2COC2)C=C1 MC102461 [0,1,0,1,0,0|2,0,0]=4 759 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 MC446759 [0,1,0,1,0,0|0,0,2]=4 760 B12R2.132 NC1=CC2=C(C=C1)COB2O MC443364 [0,1,0,1,0,0|2,0,0]=4 761 B12R2.132 NC1=CC=C2CCC(=O)C2=C1 MC446750 [0,1,0,1,0,0|0,0,2]=4 762 B12R2.132 NC1CCC2=CC=C(Br)C=C21 MC104166 [0,1,0,1,0,0|1,0,0]=3 763 B12R2.132 NC1CCC2=CC=C(Br)C=C21 MC105332 [0,1,0,1,0,0|1,0,0]=3 764 B12R2.132 NC1CCC2=CC=C(F)C=C21 MC431345 [0,1,0,1,0,0|1,0,0]=3 765 B12R2.132 NC1CCC2=CC=C(O)C=C21 MC104168 [0,1,0,1,0,0|1,0,0]=3 766 B12R2.132 NC1CCC2=CC=C(O)C=C21 MC105334 [0,1,0,1,0,0|1,0,0]=3 767 B12R2.132 NC1COC2=C1C=C(F)C=C2 MC431482 [0,1,0,1,0,0|2,0,0]=4 768 B12R2.132 O=C1CCC2=CC=C(Br)C=C12 CS18733 [0,1,0,1,0,0|0,0,2]=4 769 B12R2.132 O=C1CCC2=CC=C(Cl)C=C12 CS13722 [0,1,0,1,0,0|0,0,2]=4 770 B12R2.132 O=C1CCC2=CC=C(F)C=C12 MC429567 [0,1,0,1,0,0|0,0,2]=4 771 B12R2.132 O=C1CCC2=CC=C(I)C=C12 CS19840 [0,1,0,1,0,0|0,0,2]=4 772 B12R2.132 O=C1CCC2=CC=C(O)C=C12 CS15371 [0,1,0,1,0,0|0,0,2]=4 773 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 CS14012 [0,1,0,1,0,0|0,0,2]=4 774 B12R2.196 NC1=C2CCC(=O)C2=CC=C1 MC446724 [0,1,0,1,0,0|0,0,2]=4 775 B12R2.196 NC1CCC2=C(Br)C=CC=C21 CS14533 [0,1,0,1,0,0|1,0,0]=3 776 B12R2.196 NC1CCC2=C(Br)C=CC=C21 CS14534 [0,1,0,1,0,0|1,0,0]=3 777 B12R2.196 NC1CCC2=C(F)C=CC=C21 CS18746 [0,1,0,1,0,0|1,0,0]=3 778 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 CS10966 [0,1,0,1,0,0|0,0,2]=4 779 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 CS18751 [0,1,0,1,0,0|0,0,2]=4 780 B12R2.196 O=C1CCC2=C(F)C=CC=C12 MC442503 [0,1,0,1,0,0|0,0,2]=4 781 B12R2.196 O=C1CCC2=C(O)C=CC=C12 CS19922 [0,1,0,1,0,0|0,0,2]=4 782 B12R2.196 OC1CCC2=C(Cl)C=CN=C21 CS12906 [0,1,0,1,0,0|1,0,0]=3 783 B12R2.1282 CC1(C2=NC=CC(Br)=C2)CC1 MC110670 [0,1,0,1,0,0|2,0,0]=4 784 B12R2.1282 NC1(C2=CC(Br)=CN=C2)CC1 MC105195 [0,1,0,1,0,0|2,0,0]=4 785 B12R2.1282 NC1(C2=CC(F)=CC=C2)CC1 MC106817 [0,1,0,1,0,0|1,0,0]=3 786 B12R2.1282 NC1(C2=NC(Cl)=CC=C2)CC1 MC116274 [0,1,0,1,0,0|2,0,0]=4 787 B12R2.2313 BrC1=CC(C2CCC2)=NC=C1 MC110669 [0,1,0,1,0,0|2,0,0]=4 788 B12R2.2313 BrC1=CC=CC(C2COC2)=C1 MC115757 [0,1,0,1,0,0|2,0,0]=4 789 B12R2.88 NC1(C2=C(Cl)C=CC=C2)CC1 MC115575 [0,1,0,1,0,0|1,0,0]=3 790 B12R2.88 NC1(C2=C(F)C=CC=C2)CC1 MC443454 [0,1,0,1,0,0|1,0,0]=3 791 B12R2.203 O=C1CCC2=CC=CC(Br)=C12 MC106557 [0,1,0,1,0,0|0,0,2]=4 792 B12R2.203 O=C1CCC2=CC=CC(Cl)=C12 MC429388 [0,1,0,1,0,0|0,0,2]=4 793 B12R2.203 O=C1CCC2=CC=CC(F)=C12 CS15500 [0,1,0,1,0,0|0,0,2]=4 794 B12R2.203 O=C1CCC2=CC=CC(I)=C12 MC113777 [0,1,0,1,0,0|0,0,2]=4 795 B12R2.203 O=C1CCC2=CC=CC(O)=C12 CS12591 [0,1,0,1,0,0|0,0,2]=4 796 B8R1.7 CC(C)C1=CC=CO1 MC428131 [1,0,0,0,1,0|2,0,0]=4 797 B8R1.7 CC(O)C1=CN=CS1 MC116219 [1,0,0,0,1,0|2,0,0]=4 798 B8R1.7 CC(O)[C-]1C=CC=C1 MC440406 [1,0,0,0,1,0|0,0,1]=3 799 B8R1.7 CC(O)[C-]1C=CC=C1 MC440409 [1,0,0,0,1,0|0,0,1]=3 800 B8R1.8 CCCC1=NC=CN1 CS14621 [1,0,0,0,1,0|2,0,0]=4 801 B8R1.8 NCCC1=CSC=C1 CS22098 [1,0,0,0,1,0|2,0,0]=4 802 B8R1.8 OCCC1=CC=CS1 CS14939 [1,0,0,0,1,0|2,0,0]=4 803 B8R1.8 OCCC1=CSC=C1 CS20858 [1,0,0,0,1,0|2,0,0]=4 804 B12R1.27 CC(CO)NCC1=CC=CC=C1 CS11754 [0,0,0,0,0,2|2,0,0]=4 805 B12R1.27 CC(CO)OCC1=CC=CC=C1 MC106974 [0,0,0,0,0,2|2,0,0]=4