0 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O MC445160 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O MC20809 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.43 CN(CC1=NC=CC=C1)C(=O)Cl MC110623 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438079 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438080 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438081 [0,0,0,0,0,0|2,0,2]=4 6 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438082 [0,0,0,0,0,0|2,0,2]=4 7 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS15443 [0,0,0,0,0,0|2,0,2]=4 8 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS18748 [0,0,0,0,0,0|2,0,2]=4 9 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS21178 [0,0,0,0,0,0|2,0,2]=4 10 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS15800 [0,0,0,0,0,0|2,0,2]=4 11 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS21095 [0,0,0,0,0,0|2,0,2]=4 12 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 MC438099 [0,0,0,0,0,0|2,0,2]=4 13 B11R1.40 CCC(=O)CC1=CC=CC=C1 MC41289 [1,0,0,0,0,0|1,0,2]=4 14 B11R1.91 CC(=O)COC1=CC=CC=C1 MC433248 [1,0,0,0,0,0|1,0,1]=3 15 B11R1.91 CC(=O)OCC1=CC=CN=C1 MC33425 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.91 NC(=O)OCC1=CC=CC=C1 MC428066 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 CS21725 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 MC42251 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CS10957 [1,0,0,0,0,0|1,0,2]=4 20 B11R1.91 O=C(O)CNc1ccccc1 MC439073 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 MC40211 [1,0,0,0,0,0|1,0,0]=2 22 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 MC20186 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 MC20799 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 MC443830 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 MC442565 [1,0,0,0,0,0|2,0,1]=4 26 B13R1.135 COC(=O)C(Br)CC1=CC=CC=C1 MC112426 [0,1,0,0,0,0|1,0,2]=4 27 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 CS11158 [0,1,0,0,0,0|1,0,2]=4 28 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 MC428077 [0,1,0,0,0,0|1,0,2]=4 29 B13R1.135 COC(=O)C(N)Cc1ccccc1 MC438088 [0,1,0,0,0,0|1,0,2]=4 30 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 CS11127 [0,1,0,0,0,0|1,0,2]=4 31 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 CS14552 [0,1,0,0,0,0|1,0,2]=4 32 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 CS21578 [0,1,0,0,0,0|1,0,2]=4 33 B13R1.135 NC(Cc1ccccc1)C(=O)CCl MC438073 [0,1,0,0,0,0|1,0,2]=4 34 B13R1.148 CC1=CC=CC(NC(C)C(=O)O)=C1 MC426011 [0,1,0,0,0,0|2,0,1]=4 35 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O CS17818 [0,1,0,0,0,0|1,0,2]=4 36 B13R1.418 CNC(Cc1ccccc1)C(=O)O MC437926 [0,1,0,0,0,0|1,0,2]=4 37 B13R1.1073 CC(=O)C(C)(O)CC1=CC=CC=C1 MC106869 [0,1,0,0,0,0|0,0,2]=3 38 B13R1.1073 CC(N)(Cc1ccccc1)C(=O)O MC437929 [0,1,0,0,0,0|1,0,2]=4 39 B13R1.1073 CC(N)(Cc1ccccc1)C(=O)O MC437930 [0,1,0,0,0,0|1,0,2]=4 40 B13R1.1073 CC(N)(Cc1ccccc1)C(=O)O MC437931 [0,1,0,0,0,0|1,0,2]=4 41 B13R2.359 CC1=Nc2ccccc2C1(C)C MC445122 [0,0,0,1,0,0|2,0,1]=4 42 B13R2.369 BrC1=CC2=CC=CC=C2C=C1Br CS11242 [0,0,0,1,0,0|2,0,1]=4 43 B13R2.369 CC1=C(O)C=C2C=CC=NC2=C1 MC443422 [0,0,0,1,0,0|1,0,2]=4 44 B13R2.369 ClC1=CC2=CC=CC=C2N=C1Cl CS15838 [0,0,0,1,0,0|3,0,0]=4 45 B13R2.369 NC1=CC2=CC=CC=C2C=C1I MC431733 [0,0,0,1,0,0|2,0,1]=4 46 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)S1 CS11315 [0,0,0,1,0,0|1,0,0]=2 47 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 CS21212 [0,0,0,1,0,0|1,0,0]=2 48 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 MC33362 [0,0,0,1,0,0|2,0,0]=3 49 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)O1 CS12977 [0,0,0,1,0,0|2,0,0]=3 50 B13R2.435 CC(=O)C1CC2=CC=CC=C2C1 MC41739 [0,0,0,1,0,0|0,0,2]=3 51 B13R2.435 NC(=O)C1=NC2=C(C=CC=C2)N1 CS16659 [0,0,0,1,0,0|3,0,0]=4 52 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 CS21478 [0,0,0,1,0,0|2,0,0]=3 53 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 CS21476 [0,0,0,1,0,0|2,0,0]=3 54 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)N1 CS14473 [0,0,0,1,0,0|3,0,0]=4 55 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)S1 MC441179 [0,0,0,1,0,0|3,0,0]=4 56 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 CS22268 [0,0,0,1,0,0|2,0,0]=3 57 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 MC444444 [0,0,0,1,0,0|3,0,0]=4 58 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 MC441174 [0,0,0,1,0,0|3,0,0]=4 59 B13R2.435 O=C(O)C1=CC2=CC=NC=C2N1 CS18576 [0,0,0,1,0,0|3,0,0]=4 60 B13R2.435 O=C(O)C1=CC2=CC=NC=C2O1 MC115550 [0,0,0,1,0,0|3,0,0]=4 61 B13R2.435 O=C(O)C1=CC2=CC=NC=C2S1 MC441326 [0,0,0,1,0,0|3,0,0]=4 62 B13R2.435 O=C(O)C1=CC2=NC=CC=C2N1 CS15306 [0,0,0,1,0,0|3,0,0]=4 63 B13R2.435 O=C(O)C1=CC2=NC=CC=C2S1 MC441901 [0,0,0,1,0,0|3,0,0]=4 64 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 CS18408 [0,0,0,1,0,0|3,0,0]=4 65 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 CS18211 [0,0,0,1,0,0|3,0,0]=4 66 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)O1 MC442734 [0,0,0,1,0,0|3,0,0]=4 67 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 CS10508 [0,0,0,1,0,0|3,0,0]=4 68 B13R2.435 O=C(O)C1CC2=CC=CC=C2N1 CS11042 [0,0,0,1,0,0|2,0,1]=4 69 B13R2.435 O=C(O)C1CC2=CC=CC=C2N1 MC20135 [0,0,0,1,0,0|2,0,1]=4 70 B11R1.35 C\C(=C/C1=CC=CO1)[N+](=O)[O-] MC107757 [0,0,0,0,1,0|3,0,0]=4 71 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 CS19083 [0,0,0,0,1,0|1,0,1]=3 72 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 MC443670 [0,0,0,0,1,0|2,0,1]=4 73 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 CS10890 [0,0,0,0,1,0|1,0,1]=3 74 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 CS14544 [0,0,0,0,1,0|1,0,1]=3 75 B11R1.36 CN(C(N)=S)C1=CC=CC=C1 MC427369 [0,0,0,0,1,0|2,1,0]=4 76 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 CS15488 [0,0,0,0,1,0|2,0,1]=4 77 B11R1.36 NC(=O)C(N)c1ccccc1 MC438104 [0,0,0,0,1,0|2,0,1]=4 78 B11R1.36 NC(C(=O)Cl)C1=CC=CC=C1 CS15858 [0,0,0,0,1,0|2,0,1]=4 79 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 CS11192 [0,0,0,0,1,0|2,0,1]=4 80 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 CS14083 [0,0,0,0,1,0|2,0,1]=4 81 B11R1.36 NC(C(=O)O)c1ccccc1 MC438102 [0,0,0,0,1,0|2,0,1]=4 82 B11R1.36 NC(C(=O)O)c1ccccc1 MC438103 [0,0,0,0,1,0|2,0,1]=4 83 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS10861 [0,0,0,0,1,0|2,0,1]=4 84 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS10862 [0,0,0,0,1,0|2,0,1]=4 85 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS15279 [0,0,0,0,1,0|2,0,1]=4 86 B13R1.348 CN(CC(=O)[O-])CC1=CC=CC=C1 MC106249 [0,0,0,0,0,1|2,0,1]=4 87 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)O CS17364 [0,0,0,0,0,1|1,0,2]=4 88 B10R1.17 ClC\C=C\C1=CC=CC=C1 MC41818 [2,0,0,0,0,0|1,0,1]=4 89 B10R1.17 O=CC#CC1=CC=CC=C1 CS18196 [2,0,0,0,0,0|0,0,2]=4 90 B10R1.18 BrC(Br)=CC1=CC=CC=C1 CS16193 [2,0,0,0,0,0|2,0,0]=4 91 B10R1.18 CC(=O)CC1=CC=CN=C1 MC102696 [2,0,0,0,0,0|1,0,1]=4 92 B10R1.18 CC(=O)CC1=CC=NC=C1 CS20988 [2,0,0,0,0,0|1,0,1]=4 93 B10R1.18 CC(=O)CC1=NC=CC=C1 CS20802 [2,0,0,0,0,0|1,0,1]=4 94 B10R1.18 CC(=O)NC1=CC=CC=C1 MC34102 [2,0,0,0,0,0|1,0,0]=3 95 B10R1.18 CC(C)NC1=CC=CC=C1 CS11787 [2,0,0,0,0,0|1,0,1]=4 96 B10R1.18 CC(C)OC1=CC=CC=C1 MC41360 [2,0,0,0,0,0|1,0,1]=4 97 B10R1.18 NC(=O)NC1=CC=CC=C1 CS10533 [2,0,0,0,0,0|2,0,0]=4 98 B10R1.18 NC(=O)OC1=CC=CC=C1 MC428148 [2,0,0,0,0,0|2,0,0]=4 99 B10R1.18 O=C(Cl)OC1=CC=CC=C1 CS18823 [2,0,0,0,0,0|2,0,0]=4 100 B10R1.18 O=C([O-])CC1=CC=CC=C1 MC34448 [2,0,0,0,0,0|1,0,1]=4 101 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 MC20896 [1,1,0,0,0,0|2,0,0]=4 102 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 CS14964 [1,1,0,0,0,0|0,0,2]=4 103 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 MC431712 [1,1,0,0,0,0|0,0,0]=2 104 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 MC41308 [1,1,0,0,0,0|0,0,0]=2 105 B12R1.21 CC(O)\C=C\C1=CC=C(Br)C=C1 MC106116 [1,1,0,0,0,0|0,0,2]=4 106 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 MC40217 [1,1,0,0,0,0|1,0,0]=3 107 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 CS21504 [1,1,0,0,0,0|1,0,0]=3 108 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 MC429571 [1,1,0,0,0,0|1,0,0]=3 109 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 CS15820 [1,1,0,0,0,0|1,0,0]=3 110 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(F)C=C1 MC41593 [1,1,0,0,0,0|2,0,0]=4 111 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(O)C=C1 CS22887 [1,1,0,0,0,0|2,0,0]=4 112 B12R1.27 COC(=O)CCC1=CC=CC=C1 MC433965 [1,1,0,0,0,0|0,0,2]=4 113 B12R1.27 NCC(=O)OCC1=CC=CC=C1 MC428105 [1,1,0,0,0,0|1,0,1]=4 114 B12R1.27 NCC(=O)OCc1ccccc1 MC437714 [1,1,0,0,0,0|1,0,1]=4 115 B12R1.27 NCC(=O)OCc1ccccc1 MC437715 [1,1,0,0,0,0|1,0,1]=4 116 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 CS19947 [1,1,0,0,0,0|1,0,1]=4 117 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS20784 [1,1,0,0,0,0|0,0,1]=3 118 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 CS17400 [1,1,0,0,0,0|1,0,1]=4 119 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 CS10967 [1,1,0,0,0,0|1,0,0]=3 120 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 CS21499 [1,1,0,0,0,0|1,0,0]=3 121 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 CS21503 [1,1,0,0,0,0|1,0,0]=3 122 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 MC40208 [1,1,0,0,0,0|1,0,0]=3 123 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 CS10976 [1,1,0,0,0,0|1,0,0]=3 124 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 MC40216 [1,1,0,0,0,0|1,0,0]=3 125 B12R1.226 O=[N+]([O-])\C=C\C1=CC=CC(Cl)=C1 MC41592 [1,1,0,0,0,0|2,0,0]=4 126 B12R1.226 O=[N+]([O-])\C=C\C1=CC=CC(F)=C1 MC443665 [1,1,0,0,0,0|2,0,0]=4 127 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 CS12331 [0,1,0,0,1,0|1,0,1]=4 128 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 CS15974 [0,1,0,0,1,0|2,0,0]=4 129 B12R1.124 CC(=O)C(Br)C1=C(F)C=CC=C1 MC432040 [0,1,0,0,1,0|1,0,1]=4 130 B12R1.124 CC(C(=O)O)C1=C(Cl)C=CC=C1 CS21673 [0,1,0,0,1,0|1,0,1]=4 131 B12R1.124 NC1=C(C(=O)C(=O)[O-])C=CC=C1 MC427207 [0,1,0,0,1,0|2,0,0]=4 132 B12R1.124 O=C(Cl)C(=O)C1=C(Cl)C=CC=C1 MC105996 [0,1,0,0,1,0|2,0,0]=4 133 B12R1.124 O=C(O)C(=O)C1=C(Br)C=CC=C1 CS16464 [0,1,0,0,1,0|2,0,0]=4 134 B12R1.225 CC(C(=O)O)C1=CC(Br)=CC=C1 CS14817 [0,1,0,0,1,0|1,0,1]=4 135 B12R1.225 CC(C(=O)O)C1=CC(N)=CC=C1 MC102234 [0,1,0,0,1,0|1,0,1]=4 136 B12R1.225 CC1=CC(C(C)C(=O)O)=CC=C1 MC442791 [0,1,0,0,1,0|1,0,1]=4 137 B12R1.253 CC(=O)C(F)(F)C1=CC=CC=C1 MC430930 [0,1,0,0,1,0|1,0,1]=4 138 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 CS10020 [0,1,0,0,1,0|1,0,1]=4 139 B12R1.478 CC(=O)\C(=N\O)C1=NC=CC=C1 MC102713 [0,1,0,0,1,0|2,0,0]=4 140 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 CS20312 [0,1,0,0,1,0|1,0,1]=4 141 B12R1.478 CCC(C1=CC=CC=C1)=C(Br)Br MC107155 [0,1,0,0,1,0|2,0,0]=4 142 B12R1.478 CNC(C(=O)O)c1ccccc1 MC437936 [0,1,0,0,1,0|1,0,1]=4 143 B12R1.478 CNC(C(=O)O)c1ccccc1 MC437937 [0,1,0,0,1,0|1,0,1]=4 144 B12R1.478 CNC(C(=O)O)c1ccccc1 MC437938 [0,1,0,0,1,0|1,0,1]=4 145 B12R1.478 COC(C(=O)O)c1ccccc1 MC428059 [0,1,0,0,1,0|1,0,1]=4 146 B12R1.478 NCC(C(=O)O)C1=CC=CC=C1 MC105852 [0,1,0,0,1,0|1,0,1]=4 147 B12R1.478 NCC(C(=O)O)C1=CC=CC=C1 MC105853 [0,1,0,0,1,0|1,0,1]=4 148 B14R1.415 CC(NC(=O)C1=CC=CC=C1)C(=O)O MC428110 [0,1,0,0,0,1|1,0,1]=4 149 B14R1.415 CC(NC(=O)c1ccccc1)C(=O)O MC436792 [0,1,0,0,0,1|1,0,1]=4 150 B14R1.415 CC(NC(=O)c1ccccc1)C(=O)O MC436793 [0,1,0,0,0,1|1,0,1]=4 151 B14R1.756 CCC(=O)C(C)OCC1=CC=CC=C1 MC418495 [0,1,0,0,0,1|0,0,2]=4 152 B14R1.756 COC(=O)C(=O)\C=C\C1=CC=CC=C1 MC430691 [0,1,0,0,0,1|1,0,0]=3 153 B14R1.1031 CNC(Cc1ccccc1)C(=O)OC MC437933 [0,2,0,0,0,0|0,0,2]=4 154 B14R1.1031 CNC(Cc1ccccc1)C(=O)OC MC437934 [0,2,0,0,0,0|0,0,2]=4 155 B14R1.1107 COC(=O)C(C)(N)Cc1ccccc1 MC437935 [0,2,0,0,0,0|0,0,2]=4 156 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)S1 CS22136 [1,0,0,1,0,0|2,0,0]=4 157 B12R2.18 CC1=CC2=CC=CC=C2N1C CS10010 [1,0,0,1,0,0|1,0,0]=3 158 B12R2.18 CC1CC2=CC=CC=C2C1=O MC446688 [1,0,0,1,0,0|0,0,2]=4 159 B12R2.18 CN1C(N)=CC2=CC=CC=C21 MC106654 [1,0,0,1,0,0|2,0,0]=4 160 B12R2.18 CN1NC2=CC=CC=C2C1=O MC442274 [1,0,0,1,0,0|2,0,0]=4 161 B12R2.18 O=C1NC2=CC=CC=C2C1=O CS11506 [1,0,0,1,0,0|2,0,0]=4 162 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 CS19153 [1,0,0,1,0,0|1,0,1]=4 163 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 CS21394 [1,0,0,1,0,0|2,0,0]=4 164 B12R2.24 CC1=CC2=CC=CC=C2C=N1 CS19703 [1,0,0,1,0,0|1,0,1]=4 165 B12R2.24 CC1=CC2=CC=CC=C2N=C1 CS11336 [1,0,0,1,0,0|1,0,0]=3 166 B12R2.24 CC1=CC=C2C=CC=NC2=C1 MC20324 [1,0,0,1,0,0|1,0,1]=4 167 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CS10742 [1,0,0,1,0,0|1,0,1]=4 168 B12R2.24 CC1=CC=C2N=CC=CC2=C1 CS10066 [1,0,0,1,0,0|1,0,1]=4 169 B12R2.24 CC1=NC2=CC=CC=C2C=C1 CS11335 [1,0,0,1,0,0|1,0,1]=4 170 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 CS22245 [1,0,0,1,0,0|2,0,0]=4 171 B12R2.24 NC1=CC2=CC=CC=C2C=C1 MC41753 [1,0,0,1,0,0|1,0,1]=4 172 B12R2.24 NC1=CC2=CC=CC=C2N=C1 CS11010 [1,0,0,1,0,0|2,0,0]=4 173 B12R2.24 OC1=CC2=CC=CC=C2C=C1 CS21708 [1,0,0,1,0,0|1,0,1]=4 174 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CS19154 [1,0,0,1,0,0|2,0,0]=4 175 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 CS10964 [1,0,0,1,0,0|1,0,0]=3 176 B12R2.32 O=CC1=CC2=CC=CC=C2N1 CS18099 [1,0,0,1,0,0|1,0,0]=3 177 B12R2.32 O=CC1=CC2=CC=NC=C2N1 MC116282 [1,0,0,1,0,0|2,0,0]=4 178 B12R2.32 O=CC1=CC2=CC=NC=C2S1 MC441877 [1,0,0,1,0,0|2,0,0]=4 179 B12R2.32 O=CC1=CC2=NC=CC=C2O1 MC103691 [1,0,0,1,0,0|2,0,0]=4 180 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 MC33243 [1,0,0,1,0,0|2,0,0]=4 181 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 MC105058 [1,0,0,1,0,0|0,0,2]=4 182 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 CS22300 [0,0,0,1,0,1|1,0,1]=4 183 B14R2.598 CC1=C(C2=CC=CC=C2)OC(N)=N1 MC107761 [0,0,0,1,0,1|1,0,1]=4 184 B14R2.598 O=C1C=C(C2=CC=CC=C2)C(=O)O1 MC42028 [0,0,0,1,0,1|1,0,1]=4 185 B14R2.598 O=C1CC(C2=CC=CC=C2)C(=O)O1 MC440514 [0,0,0,1,0,1|1,0,1]=4 186 B14R2.642 CC(=O)N1C(C)=NC2=C1C=CC=C2 MC33418 [0,0,0,1,0,1|1,0,0]=3 187 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)O1 CS21317 [0,0,0,1,0,1|2,0,0]=4 188 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 MC10334 [0,0,0,1,0,1|2,0,0]=4 189 B14R2.31 O=C1CCC1OCC2=CC=CC=C2 MC104292 [0,0,0,1,0,1|0,0,2]=4 190 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 MC41741 [0,0,0,1,0,1|0,0,1]=3 191 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=C1 CS16292 [0,0,0,1,0,1|1,0,1]=4 192 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 CS11274 [0,0,0,1,0,1|1,0,1]=4 193 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 CS11279 [0,0,0,1,0,1|1,0,1]=4 194 B14R2.781 O=C(O)C1=CC2=CC=CC=C2N=C1 CS10060 [0,0,0,1,0,1|1,0,1]=4 195 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=C1 CS11276 [0,0,0,1,0,1|2,0,0]=4 196 B14R2.781 O=C(O)C1=NC2=CC=CC=C2N=C1 CS21462 [0,0,0,1,0,1|2,0,0]=4 197 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)O2 MC441314 [0,1,0,1,0,0|2,0,0]=4 198 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)S2 MC41800 [0,1,0,1,0,0|2,0,0]=4 199 B14R2.4529 CC1=CC2=C(C=C1)OC(C(=O)O)=C2 MC441312 [0,1,0,1,0,0|2,0,0]=4 200 B14R2.4529 CC1=CC=C2C=C(C(=O)O)NC2=C1 CS10730 [0,1,0,1,0,0|2,0,0]=4 201 B14R2.4529 CC1=CC=C2NC(C(=O)O)=CC2=C1 CS10456 [0,1,0,1,0,0|2,0,0]=4 202 B14R2.4529 CC1=CC=C2NC(C(N)=O)=CC2=C1 MC107564 [0,1,0,1,0,0|2,0,0]=4 203 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)O1 MC114702 [0,1,0,1,0,0|2,0,0]=4 204 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)S1 MC441038 [0,1,0,1,0,0|2,0,0]=4 205 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)O1 MC441313 [0,1,0,1,0,0|2,0,0]=4 206 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)S1 MC443455 [0,1,0,1,0,0|2,0,0]=4 207 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)O1 MC114912 [0,1,0,1,0,0|2,0,0]=4 208 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)O1 MC441164 [0,1,0,1,0,0|2,0,0]=4 209 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)S1 MC41760 [0,1,0,1,0,0|2,0,0]=4 210 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)O1 MC441171 [0,1,0,1,0,0|2,0,0]=4 211 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)S1 MC441141 [0,1,0,1,0,0|2,0,0]=4 212 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)O1 MC441172 [0,1,0,1,0,0|2,0,0]=4 213 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)S1 MC41787 [0,1,0,1,0,0|2,0,0]=4 214 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2N1 CS22050 [0,1,0,1,0,0|2,0,0]=4 215 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2N1 MC20054 [0,1,0,1,0,0|2,0,0]=4 216 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2N1 CS22090 [0,1,0,1,0,0|2,0,0]=4 217 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)C=C2N1 MC20052 [0,1,0,1,0,0|2,0,0]=4 218 B14R2.4529 O=C(O)C1=CC2=CC=C(F)C=C2N1 MC20055 [0,1,0,1,0,0|2,0,0]=4 219 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)S1 MC429622 [0,1,0,1,0,0|1,0,0]=3 220 B14R2.972 COC(=O)C1=CC2=CC=CC=C2N1 CS11361 [0,1,0,1,0,0|1,0,0]=3 221 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 CS13203 [0,1,0,1,0,0|2,0,0]=4 222 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)N1 MC107164 [0,1,0,1,0,0|2,0,0]=4 223 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)O1 MC106657 [0,1,0,1,0,0|2,0,0]=4 224 B14R2.1128 CC1=CC2=CC=CC=C2N=C1C#N MC115955 [0,1,0,1,0,0|1,0,1]=4 225 B14R2.1128 COC1=NC2=CC=CC=C2N=C1C MC111428 [0,1,0,1,0,0|2,0,0]=4 226 B14R2.1128 O=CC1=CC2=CC=CC=C2C=C1O MC425440 [0,1,0,1,0,0|1,0,1]=4 227 B14R2.4514 CC1=C(C2=CC=CC=C2)NN=C1N CS15356 [0,1,0,1,0,0|2,0,0]=4 228 B14R2.4514 CC1=C(N)SN=C1C2=CC=CC=C2 CS17083 [0,1,0,1,0,0|1,1,0]=4 229 B14R2.8188 CC1=NC2=CC=CC=C2C(C)=C1C MC107789 [0,1,0,1,0,0|1,0,0]=3 230 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)S2 MC441057 [0,1,0,1,0,0|2,0,0]=4 231 B14R2.7969 CC1=CC=CC2=C1OC(C(=O)O)=C2 MC441311 [0,1,0,1,0,0|2,0,0]=4 232 B14R2.7969 CC1=CC=CC2=C1SC(C(=O)O)=C2 MC441142 [0,1,0,1,0,0|2,0,0]=4 233 B14R2.7969 NC1=CC=CC2=C1OC(C(=O)O)=C2 MC431602 [0,1,0,1,0,0|2,0,0]=4 234 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Br)O1 MC441316 [0,1,0,1,0,0|2,0,0]=4 235 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Br)S1 MC441143 [0,1,0,1,0,0|2,0,0]=4 236 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)O1 MC441315 [0,1,0,1,0,0|2,0,0]=4 237 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)S1 MC41767 [0,1,0,1,0,0|2,0,0]=4 238 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)O1 MC441317 [0,1,0,1,0,0|2,0,0]=4 239 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)S1 MC441145 [0,1,0,1,0,0|2,0,0]=4 240 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2N1 CS14286 [0,1,0,1,0,0|2,0,0]=4 241 B14R2.7969 O=C(O)C1=CC2=C(O1)C(Br)=CC=C2 MC441300 [0,1,0,1,0,0|2,0,0]=4 242 B14R2.7969 O=C(O)C1=CC2=C(O1)C(F)=CC=C2 MC441298 [0,1,0,1,0,0|2,0,0]=4 243 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Br)=CC=C2 CS16632 [0,1,0,1,0,0|2,0,0]=4 244 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Cl)=CC=C2 CS10798 [0,1,0,1,0,0|2,0,0]=4 245 B14R2.7969 O=C(O)C1=CC2=C(S1)C(F)=CC=C2 MC441144 [0,1,0,1,0,0|2,0,0]=4 246 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 MC30342 [0,1,0,1,0,0|2,0,0]=4 247 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2N1 CS12600 [0,1,0,1,0,0|2,0,0]=4 248 B14R2.7969 O=C(O)C1=CC2=CC=CC(O)=C2N1 MC106623 [0,1,0,1,0,0|2,0,0]=4 249 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 MC41799 [0,1,0,1,0,0|2,0,0]=4 250 B14R2.450 CN1C(C(=O)O)=CC2=CC=CC=C21 CS11350 [0,1,0,1,0,0|1,0,0]=3 251 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)S1 MC433155 [0,1,0,1,0,0|2,0,0]=4 252 B10R1.15 CCC(C)C1=CC=CC=C1 CS11947 [1,0,0,0,1,0|0,0,2]=4 253 B10R1.15 CCC(C)C1=CC=CC=C1 MC433489 [1,0,0,0,1,0|0,0,2]=4 254 B10R1.15 CN(C=O)C1=CC=CC=C1 CS11793 [1,0,0,0,1,0|1,0,0]=3 255 B10R1.15 COC(=O)C1=CC=CC=C1 MC40065 [1,0,0,0,1,0|2,0,0]=4 256 B10R1.15 C\C(=C\Br)C1=CC=NC=C1 MC111870 [1,0,0,0,1,0|2,0,0]=4 257 B10R1.66 O=C(O)\C=C\C1=CC=CO1 MC41690 [1,0,0,0,1,0|2,0,0]=4 258 B10R1.66 O=C(O)\C=C\C1=COC=C1 MC425866 [1,0,0,0,1,0|2,0,0]=4 259 B12R1.252 CC(=O)OCCC1=CC=CC=C1 MC40009 [1,0,0,0,0,1|0,0,2]=4 260 B12R1.252 CC(C)=CCSC1=CC=CC=C1 MC41831 [1,0,0,0,0,1|1,0,1]=4 261 B14R1.6449 CC(=O)N(C)CCCC1=CC=CC=C1 MC425591 [0,0,0,0,0,2|1,0,1]=4