0 B12R1.27 COC(=O)CCC1=CC=CC=C1 MC433965 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.27 NCC(=O)OCC1=CC=CC=C1 MC428105 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.27 NCC(=O)OCc1ccccc1 MC437714 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.27 NCC(=O)OCc1ccccc1 MC437715 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CS20449 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.27 NNC(=O)OCc1ccccc1 MC438484 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 CS19947 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.28 CNCCCC1=CC=CC=C1 MC425598 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.28 CNCCCC1=NC=CC=C1 MC430496 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.28 OCCCCC1=CC=CC=C1 CS11170 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.91 CC(=O)COC1=CC=CC=C1 MC433248 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.91 CC(=O)NCC1=CN=CN=C1 MC105786 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.91 CC(=O)OCC1=CC=CN=C1 MC33425 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.91 CN(C)CCC1=CC=CC=C1 MC446671 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.91 NC(=O)OCC1=CC=CC=C1 MC428066 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 CS21725 [1,0,0,0,0,0|1,0,2]=4 16 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 MC42251 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CS10957 [1,0,0,0,0,0|0,0,2]=3 18 B11R1.91 O=C(O)CNC1=CC=NC=C1 MC425129 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.91 O=C(O)CNC1=CC=NC=C1 MC425915 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.91 O=C(O)CNc1ccccc1 MC439073 [1,0,0,0,0,0|1,0,0]=2 21 B11R1.91 O=C(O)COC1=CC=NC=C1 MC443726 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 MC40211 [1,0,0,0,0,0|0,0,2]=3 23 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 MC20186 [1,0,0,0,0,0|1,0,2]=4 24 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 MC20799 [1,0,0,0,0,0|1,0,2]=4 25 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CS20444 [1,0,0,0,0,0|1,0,1]=3 26 B13R1.11 COC(=O)CC(=O)C1=NC=CC=C1 CS14849 [0,1,0,0,0,0|1,0,1]=3 27 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 MC42230 [0,1,0,0,0,0|0,0,0]=1 28 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 MC42231 [0,1,0,0,0,0|0,0,0]=1 29 B13R1.11 COC(=O)CN(C)C1=NC=CC=C1 CS17411 [0,1,0,0,0,0|2,0,0]=3 30 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 CS12844 [0,1,0,0,0,0|0,0,0]=1 31 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 CS11125 [0,1,0,0,0,0|0,0,0]=1 32 B13R1.14 COC(=O)\C=C\C1=CC=C(Cl)C=C1 MC433909 [0,1,0,0,0,0|0,0,2]=3 33 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 CS11646 [0,1,0,0,0,0|0,0,2]=3 34 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 MC40106 [0,1,0,0,0,0|0,0,2]=3 35 B13R1.15 COC(=O)C#CC1=CC(F)=CC=C1 MC431831 [0,1,0,0,0,0|0,0,2]=3 36 B13R1.15 COC(=O)CCC1=CC(Br)=CC=C1 MC433967 [0,1,0,0,0,0|0,0,0]=1 37 B13R1.15 COC(=O)\C=C\c1cccc(Br)c1 MC433906 [0,1,0,0,0,0|0,0,2]=3 38 B13R1.42 C=COC(=O)OCC1=CC=CC=C1 MC111305 [0,1,0,0,0,0|1,0,1]=3 39 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 MC428315 [0,1,0,0,0,0|1,0,0]=2 40 B13R1.42 CCOC(=O)COC1=CC=CN=C1 CS19787 [0,1,0,0,0,0|2,0,0]=3 41 B13R1.42 CNCC(=O)OCc1ccccc1 MC438153 [0,1,0,0,0,0|2,0,0]=3 42 B13R1.42 N#CCS(=O)CCC1=CC=CC=C1 MC107688 [0,1,0,0,0,0|2,0,1]=4 43 B13R1.42 NCCC(=O)OCc1ccccc1 MC436156 [0,1,0,0,0,0|2,0,0]=3 44 B13R1.135 COC(=O)C(Br)CC1=CC=CC=C1 MC112426 [0,1,0,0,0,0|0,0,0]=1 45 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 CS11158 [0,1,0,0,0,0|0,0,0]=1 46 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 MC428077 [0,1,0,0,0,0|0,0,0]=1 47 B13R1.135 COC(=O)C(N)Cc1ccccc1 MC438088 [0,1,0,0,0,0|0,0,0]=1 48 B13R1.135 COC(=O)C(N)Cc1cccnc1 MC438145 [0,1,0,0,0,0|1,0,0]=2 49 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 CS11127 [0,1,0,0,0,0|0,0,0]=1 50 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 CS14552 [0,1,0,0,0,0|0,0,0]=1 51 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 CS21578 [0,1,0,0,0,0|0,0,0]=1 52 B13R1.135 NC(Cc1ccccc1)C(=O)CCl MC438073 [0,1,0,0,0,0|2,0,0]=3 53 B13R1.135 NNC(=O)C(N)Cc1ccccc1 MC439014 [0,1,0,0,0,0|2,0,0]=3 54 B13R1.351 CC(N)C(=O)OCC1=CC=CC=C1 CS14334 [0,1,0,0,0,0|2,0,0]=3 55 B13R1.351 CC(N)C(=O)OCc1ccccc1 MC436155 [0,1,0,0,0,0|2,0,0]=3 56 B13R1.351 CC(N)C(=O)OCc1ccccc1 MC436157 [0,1,0,0,0,0|2,0,0]=3 57 B13R1.351 CC(N)C(=O)OCc1ccccc1 MC436158 [0,1,0,0,0,0|2,0,0]=3 58 B13R1.351 CC(O)C(=O)OCC1=CC=CC=C1 MC437818 [0,1,0,0,0,0|2,0,0]=3 59 B13R1.351 CN(N)C(=O)OCC1=CC=CC=C1 CS15331 [0,1,0,0,0,0|2,0,0]=3 60 B13R1.528 COC(=O)CCC1=C(Br)C=CC=C1 MC433966 [0,1,0,0,0,0|0,0,0]=1 61 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 CS13543 [0,0,0,1,0,0|1,0,0]=2 62 B13R2.10 O=C1CCC(C2=CC=NC=C2)C1 MC106176 [0,0,0,1,0,0|2,0,0]=3 63 B13R2.10 O=C1CCC(C2=NC=CC=C2)C1 MC106175 [0,0,0,1,0,0|2,0,0]=3 64 B13R2.10 O=C1NC(C2=CC=CC=C2)CO1 CS11041 [0,0,0,1,0,0|1,0,0]=2 65 B13R2.10 O=C1NC(C2=CC=CC=C2)CO1 CS11043 [0,0,0,1,0,0|1,0,0]=2 66 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 MC442202 [0,0,0,1,0,0|1,0,0]=2 67 B13R2.57 COC1=CC2=CC=CC=C2C=C1 MC10259 [0,0,0,1,0,0|1,0,2]=4 68 B13R2.57 COC1=CC2=CC=CC=C2N=C1 CS13082 [0,0,0,1,0,0|2,0,1]=4 69 B11R1.40 CCC(=O)CC1=CC=CC=C1 MC41289 [0,0,0,0,1,0|1,0,0]=2 70 B11R1.40 COC(=O)CC1=CC=CN=N1 MC103761 [0,0,0,0,1,0|2,0,0]=3 71 B11R1.40 COC(=O)CC1=CN=NC=C1 MC101903 [0,0,0,0,1,0|2,0,0]=3 72 B11R1.40 COC(=O)CC1=NC=NC=C1 MC104059 [0,0,0,0,1,0|2,0,0]=3 73 B11R1.40 NNC(=O)CC1=CC=NC=C1 CS21751 [0,0,0,0,1,0|3,0,0]=4 74 B11R1.40 O=C(CO)CC1=CC=CC=C1 MC107738 [0,0,0,0,1,0|2,0,0]=3 75 B13R1.718 COC(=O)CCNC1=CC=CC=C1 CS22398 [0,0,0,0,0,1|0,0,0]=1 76 B13R1.718 COC(=O)\C=C\NC1=CC=CC=C1 MC111024 [0,0,0,0,0,1|0,0,2]=3 77 B10R1.17 Br[Zn]CCc1ccccc1 MC121341 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.17 CNCCC1=CC=CC=C1 MC446670 [2,0,0,0,0,0|1,0,0]=3 79 B10R1.17 NOCCC1=CC=NC=C1 MC427573 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.17 O=CC#CC1=CC=CC=C1 CS18196 [2,0,0,0,0,0|0,0,2]=4 81 B10R1.17 OCCCC1=CC=NC=C1 CS22019 [2,0,0,0,0,0|1,0,1]=4 82 B10R1.17 OCCOC1=CC=CC=C1 MC41398 [2,0,0,0,0,0|1,0,1]=4 83 B12R1.1 COCCOC1=CC=C(N)C=C1 CS13382 [1,1,0,0,0,0|1,0,1]=4 84 B12R1.8 CNCCNCC1=CC=CC=C1 MC107809 [1,1,0,0,0,0|1,0,1]=4 85 B12R1.8 OCCCCCC1=CC=CC=C1 MC443206 [1,1,0,0,0,0|1,0,1]=4 86 B12R1.252 CC(=O)OCCC1=CC=CC=C1 MC40009 [1,1,0,0,0,0|2,0,0]=4 87 B12R1.252 CC(C)=CCSC1=CC=CC=C1 MC41831 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 CS14964 [1,1,0,0,0,0|0,0,0]=2 89 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 MC431712 [1,1,0,0,0,0|0,0,2]=4 90 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 MC41308 [1,1,0,0,0,0|0,0,2]=4 91 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 MC40217 [1,1,0,0,0,0|0,0,2]=4 92 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 CS21832 [1,1,0,0,0,0|0,0,0]=2 93 B12R1.21 NC1=CC=C(CCC(=O)O)C=N1 CS15944 [1,1,0,0,0,0|1,0,0]=3 94 B12R1.21 NC1=CC=C(CCC(=O)O)C=N1 CS17825 [1,1,0,0,0,0|1,0,0]=3 95 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 CS21674 [1,1,0,0,0,0|0,0,0]=2 96 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 CS19854 [1,1,0,0,0,0|0,0,0]=2 97 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 CS21107 [1,1,0,0,0,0|0,0,0]=2 98 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 MC41825 [1,1,0,0,0,0|1,0,0]=3 99 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 CS21504 [1,1,0,0,0,0|0,0,2]=4 100 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 MC429571 [1,1,0,0,0,0|0,0,2]=4 101 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 CS15820 [1,1,0,0,0,0|0,0,2]=4 102 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O MC445160 [1,1,0,0,0,0|0,0,1]=3 103 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O MC20809 [1,1,0,0,0,0|1,0,0]=3 104 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438079 [1,1,0,0,0,0|1,0,0]=3 105 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438080 [1,1,0,0,0,0|1,0,0]=3 106 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438081 [1,1,0,0,0,0|1,0,0]=3 107 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438082 [1,1,0,0,0,0|1,0,0]=3 108 B12R1.43 NC(CC1=CC=CC=C1)B(O)O MC442654 [1,1,0,0,0,0|1,0,1]=4 109 B12R1.43 NC(CC1=CC=CC=C1)B(O)O MC442683 [1,1,0,0,0,0|1,0,1]=4 110 B12R1.43 NC(CC1=CC=CC=C1)B(O)O MC442684 [1,1,0,0,0,0|1,0,1]=4 111 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS15443 [1,1,0,0,0,0|0,0,0]=2 112 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS18748 [1,1,0,0,0,0|0,0,0]=2 113 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS21178 [1,1,0,0,0,0|0,0,0]=2 114 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O CS18803 [1,1,0,0,0,0|1,0,0]=3 115 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O MC20764 [1,1,0,0,0,0|1,0,0]=3 116 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O MC439076 [1,1,0,0,0,0|1,0,0]=3 117 B12R1.43 NC(Cc1ccccn1)C(=O)O MC427345 [1,1,0,0,0,0|1,0,0]=3 118 B12R1.43 NC(Cc1ccccn1)C(=O)O MC438142 [1,1,0,0,0,0|1,0,0]=3 119 B12R1.43 NC(Cc1ccccn1)C(=O)O MC438143 [1,1,0,0,0,0|1,0,0]=3 120 B12R1.43 NC(Cc1ccccn1)C(=O)O MC439075 [1,1,0,0,0,0|1,0,0]=3 121 B12R1.43 NC(Cc1cccnc1)C(=O)O MC438144 [1,1,0,0,0,0|1,0,0]=3 122 B12R1.43 NC(Cc1ccncc1)C(=O)O MC439080 [1,1,0,0,0,0|1,0,0]=3 123 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS15800 [1,1,0,0,0,0|0,0,0]=2 124 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS21095 [1,1,0,0,0,0|0,0,0]=2 125 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 MC438099 [1,1,0,0,0,0|0,0,0]=2 126 B12R1.43 O=C(O)C(O)CC1=CC=CN=C1 MC437778 [1,1,0,0,0,0|1,0,0]=3 127 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS20784 [1,1,0,0,0,0|0,0,1]=3 128 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC42229 [1,1,0,0,0,0|0,0,0]=2 129 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC428246 [1,1,0,0,0,0|0,0,0]=2 130 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 CS20300 [1,1,0,0,0,0|1,0,0]=3 131 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 CS22312 [1,1,0,0,0,0|0,0,0]=2 132 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 CS17400 [1,1,0,0,0,0|0,0,2]=4 133 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 CS21656 [1,1,0,0,0,0|0,0,0]=2 134 B12R1.125 O=C(O)CCN1C=CC=CC1=O CS12670 [1,1,0,0,0,0|1,0,0]=3 135 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 MC106617 [1,1,0,0,0,0|1,0,0]=3 136 B12R1.125 O=C(O)CNc1ccccc1Cl MC439220 [1,1,0,0,0,0|1,0,0]=3 137 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 CS10967 [1,1,0,0,0,0|0,0,2]=4 138 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 CS21658 [1,1,0,0,0,0|0,0,0]=2 139 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 CS13948 [1,1,0,0,0,0|0,0,0]=2 140 B12R1.226 O=C(O)CCc1cccc(F)c1 MC40203 [1,1,0,0,0,0|0,0,0]=2 141 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 CS21499 [1,1,0,0,0,0|0,0,2]=4 142 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 CS21503 [1,1,0,0,0,0|0,0,2]=4 143 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 MC40208 [1,1,0,0,0,0|0,0,2]=4 144 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 CS10976 [1,1,0,0,0,0|0,0,2]=4 145 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 MC40216 [1,1,0,0,0,0|0,0,2]=4 146 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 CS21739 [1,1,0,0,0,0|1,0,1]=4 147 B12R1.108 COC(=O)C(N)CC1=CNC=N1 MC428092 [0,1,0,0,1,0|2,0,0]=4 148 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 MC20896 [0,1,0,0,1,0|0,0,1]=3 149 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 CS13901 [0,1,0,0,1,0|0,0,0]=2 150 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 CS21181 [0,1,0,0,1,0|0,0,0]=2 151 B12R1.34 COC(=O)C(N)C1=NC=CC=C1 CS17643 [0,1,0,0,1,0|1,0,0]=3 152 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 CS18861 [0,1,0,0,1,0|0,0,0]=2 153 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 CS21098 [0,1,0,0,1,0|0,0,0]=2 154 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 MC33263 [0,1,0,0,1,0|0,0,0]=2 155 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 MC40116 [0,1,0,0,1,0|0,0,0]=2 156 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 MC40088 [0,1,0,0,1,0|0,0,0]=2 157 B12R1.49 COC(=O)CC1=CC=C(F)N=C1 MC429489 [0,1,0,0,1,0|1,0,0]=3 158 B12R1.49 COC(=O)CC1=CC=C(N)N=C1 MC431366 [0,1,0,0,1,0|1,0,0]=3 159 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 CS21113 [0,1,0,0,1,0|0,0,0]=2 160 B12R1.50 CCC(=O)NC1=CC(N)=CC=C1 CS21194 [0,1,0,0,1,0|2,0,0]=4 161 B12R1.50 COC(=O)CC1=CC(Br)=CC=C1 CS20169 [0,1,0,0,1,0|0,0,0]=2 162 B12R1.50 COC(=O)CC1=CC(F)=CC=C1 MC433952 [0,1,0,0,1,0|0,0,0]=2 163 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 CS15979 [0,1,0,0,1,0|0,0,0]=2 164 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 MC40063 [0,1,0,0,1,0|0,0,0]=2 165 B12R1.50 COC(=O)CC1=CC(O)=CC=C1 CS22324 [0,1,0,0,1,0|0,0,0]=2 166 B12R1.50 NNC(=O)CC1=CC(Br)=CC=C1 MC111969 [0,1,0,0,1,0|2,0,0]=4 167 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 CS11591 [0,1,0,0,1,0|0,0,0]=2 168 B12R1.371 COC(=O)CC1=C(Cl)C=CC=C1 CS21677 [0,1,0,0,1,0|0,0,0]=2 169 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 CS11582 [0,1,0,0,1,0|0,0,0]=2 170 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 CS20138 [0,1,0,0,1,0|0,0,0]=2 171 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 CS11453 [0,1,0,0,0,1|0,0,0]=2 172 B14R1.520 CCOC(=O)CCNC1=NC=CC=C1 CS11737 [0,1,0,0,0,1|1,0,0]=3 173 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 CS15465 [0,1,0,0,0,1|0,0,0]=2 174 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 MC103279 [0,1,0,0,0,1|0,0,0]=2 175 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 CS16805 [0,1,0,0,0,1|0,0,0]=2 176 B14R1.520 N#CCC(=O)COCC1=CC=CC=C1 MC103280 [0,1,0,0,0,1|1,0,1]=4 177 B14R1.756 CCC(=O)C(C)OCC1=CC=CC=C1 MC418495 [0,1,0,0,0,1|1,0,0]=3 178 B14R1.756 COC(=O)C(=O)\C=C\C1=CC=CC=C1 MC430691 [0,1,0,0,0,1|0,0,2]=4 179 B14R1.756 COC(=O)C(N)CCc1ccccc1 MC439295 [0,1,0,0,0,1|0,0,0]=2 180 B14R1.10 COC(=O)CC(=O)C1=CC=C(Cl)C=C1 MC433970 [0,2,0,0,0,0|0,0,1]=3 181 B14R1.10 COC(=O)CC(=O)C1=CC=C(F)C=C1 MC429575 [0,2,0,0,0,0|0,0,1]=3 182 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 CS11380 [0,2,0,0,0,0|0,0,1]=3 183 B14R1.29 CCOC(=O)CC(=O)C1=CC=NC=C1 CS10017 [0,2,0,0,0,0|1,0,1]=4 184 B14R1.85 COC(=O)C(O)C(N)C1=CC=CC=C1 CS19688 [0,2,0,0,0,0|0,0,0]=2 185 B14R1.85 COC(=O)C(O)C(N)C1=CC=CC=C1 MC103826 [0,2,0,0,0,0|0,0,0]=2 186 B14R1.85 COC(=O)C(O)C(N)C1=CC=CC=C1 MC103827 [0,2,0,0,0,0|0,0,0]=2 187 B14R1.587 COC(=O)CC(=O)C1=C(Cl)C=CC=C1 MC433969 [0,2,0,0,0,0|0,0,1]=3 188 B14R1.5 COC(=O)C#CC1=CC=C(OC)C=C1 MC430364 [0,2,0,0,0,0|0,0,2]=4 189 B14R1.5 COC(=O)COC1=CC=C(C=O)C=C1 CS12436 [0,2,0,0,0,0|1,0,0]=3 190 B14R1.5 COC(=O)\C=C\C1=CC=C(CBr)C=C1 CS16349 [0,2,0,0,0,0|0,0,2]=4 191 B14R1.134 COC(=O)C(N)CC1=CC=C(O)C=C1 MC438272 [0,2,0,0,0,0|0,0,0]=2 192 B14R1.134 COC(=O)C(N)Cc1ccc(Br)cc1 MC439351 [0,2,0,0,0,0|0,0,0]=2 193 B14R1.134 COC(=O)C(N)Cc1ccc(Cl)cc1 MC436858 [0,2,0,0,0,0|0,0,0]=2 194 B14R1.134 COC(=O)C(N)Cc1ccc(Cl)cc1 MC436859 [0,2,0,0,0,0|0,0,0]=2 195 B14R1.134 COC(=O)C(N)Cc1ccc(F)cc1 MC437014 [0,2,0,0,0,0|0,0,0]=2 196 B14R1.134 COC(=O)C(N)Cc1ccc(F)cc1 MC437015 [0,2,0,0,0,0|0,0,0]=2 197 B14R1.134 COC(=O)C(N)Cc1ccc(O)cc1 CS14225 [0,2,0,0,0,0|0,0,0]=2 198 B14R1.134 COC(=O)C(N)Cc1ccc(O)cc1 MC438273 [0,2,0,0,0,0|0,0,0]=2 199 B14R1.134 COC(=O)C(N)Cc1ccc(O)cc1 MC438274 [0,2,0,0,0,0|0,0,0]=2 200 B14R1.293 CNS(=O)(=O)CCC1=CC=C(N)C=C1 MC113227 [0,2,0,0,0,0|2,0,0]=4 201 B14R1.502 CCOC(=O)C#Cc1ccc(Cl)cc1 MC434037 [0,2,0,0,0,0|0,0,2]=4 202 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 CS12527 [0,2,0,0,0,0|0,0,0]=2 203 B14R1.502 CCOC(=O)CCC1=CC=C(F)C=C1 MC40041 [0,2,0,0,0,0|0,0,0]=2 204 B14R1.502 CCOC(=O)CCC1=CC=C(N)C=C1 MC442444 [0,2,0,0,0,0|0,0,0]=2 205 B14R1.502 CCOC(=O)CCC1=CC=C(N)N=C1 MC429710 [0,2,0,0,0,0|1,0,0]=3 206 B14R1.502 CCOC(=O)CSC1=CC=C(O)C=C1 MC120175 [0,2,0,0,0,0|1,0,0]=3 207 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Cl)C=C1 MC433908 [0,2,0,0,0,0|0,0,2]=4 208 B14R1.502 CCOC(=O)\C=C\C1=CC=C(O)C=C1 MC431718 [0,2,0,0,0,0|0,0,2]=4 209 B14R1.727 COC(=O)\C=C\C1=C(Br)C=C(F)C=C1 MC103308 [0,2,0,0,0,0|0,0,2]=4 210 B14R1.135 COC(=O)C(N)Cc1cccc(F)c1 MC437013 [0,2,0,0,0,0|0,0,0]=2 211 B14R1.60 CCOC(=O)C(N)Cc1ccccc1 MC438087 [0,2,0,0,0,0|0,0,0]=2 212 B14R1.156 NCCCC(=O)OCc1ccccc1 MC436009 [0,2,0,0,0,0|2,0,0]=4 213 B14R1.156 NCCNC(=O)NCC1=CC=CC=C1 MC112506 [0,2,0,0,0,0|2,0,0]=4 214 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 CS11001 [0,2,0,0,0,0|2,0,0]=4 215 B14R1.156 NCCNC(=O)OCc1ccccc1 MC438390 [0,2,0,0,0,0|2,0,0]=4 216 B14R1.156 O=C(NCCBr)OCC1=CC=CC=C1 CS13478 [0,2,0,0,0,0|2,0,0]=4 217 B14R1.156 O=C(NCCO)OCC1=CC=CC=C1 CS11002 [0,2,0,0,0,0|2,0,0]=4 218 B14R1.598 CCOC(=O)COC1=C(O)C=CC=C1 MC443167 [0,2,0,0,0,0|1,0,0]=3 219 B14R1.598 CCOC(=O)COC1=CC=CN=C1Br MC33500 [0,2,0,0,0,0|2,0,0]=4 220 B14R1.598 CCOC(=O)COC1=NC=CC=C1O MC443819 [0,2,0,0,0,0|2,0,0]=4 221 B14R1.1031 CNC(Cc1ccccc1)C(=O)OC MC437933 [0,2,0,0,0,0|0,0,0]=2 222 B14R1.1031 CNC(Cc1ccccc1)C(=O)OC MC437934 [0,2,0,0,0,0|0,0,0]=2 223 B14R1.1107 COC(=O)C(C)(N)Cc1ccccc1 MC437935 [0,2,0,0,0,0|0,0,0]=2 224 B14R1.3099 CC(C)(N)C(=O)OCC1=CC=CC=C1 MC436137 [0,2,0,0,0,0|2,0,0]=4 225 B14R1.863 COC(=O)CCC1=C(OC)C=CC=C1 MC106255 [0,2,0,0,0,0|0,0,0]=2 226 B12R2.1 CNC1CCC2=CC=CC=C21 MC431440 [1,0,0,1,0,0|1,0,1]=4 227 B12R2.1 COC1=NNC2=CC=CC=C21 MC428325 [1,0,0,1,0,0|2,0,0]=4 228 B12R2.2 C1=CC=C(C2CCNC2)C=C1 MC106676 [1,0,0,1,0,0|1,0,1]=4 229 B12R2.41 C1=CC2=C(C=C1)CCNCC2 MC434053 [1,0,0,1,0,0|2,0,0]=4 230 B12R2.41 C1=CC2=C(C=C1)CNCCC2 CS12567 [1,0,0,1,0,0|1,0,1]=4 231 B12R2.1081 CC1NCCC2=CC=CC=C21 CS12178 [1,0,0,1,0,0|2,0,0]=4 232 B12R2.1081 CC1NCCC2=CC=CC=C21 CS15270 [1,0,0,1,0,0|2,0,0]=4 233 B12R2.22 NC1CC(C2=CC=CC=C2)C1 MC103854 [1,0,0,1,0,0|1,0,1]=4 234 B12R2.22 NC1CC(C2=CC=CC=C2)C1 MC103855 [1,0,0,1,0,0|1,0,1]=4 235 B12R2.22 NC1CC(C2=CC=CC=C2)C1 MC105059 [1,0,0,1,0,0|1,0,1]=4 236 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 MC105058 [1,0,0,1,0,0|0,0,0]=2 237 B12R2.24 CN1CCC2=CC=CC=C2C1 CS16157 [1,0,0,1,0,0|2,0,0]=4 238 B12R2.24 NC1CCC2=CC=CC=C2C1 CS18799 [1,0,0,1,0,0|1,0,1]=4 239 B12R2.24 NC1CCC2=CC=CC=C2C1 MC106682 [1,0,0,1,0,0|1,0,1]=4 240 B12R2.24 NC1CCC2=CC=CC=C2C1 MC106683 [1,0,0,1,0,0|1,0,1]=4 241 B12R2.24 NN1CCC2=CC=CC=C2C1 MC442441 [1,0,0,1,0,0|2,0,0]=4 242 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 MC440135 [1,0,0,1,0,0|0,0,0]=2 243 B12R2.24 O=C1CCC2=CC=CC=C2N1 CS11038 [1,0,0,1,0,0|1,0,0]=3 244 B12R2.24 O=C1CCC2=CC=CN=C2N1 MC113033 [1,0,0,1,0,0|2,0,0]=4 245 B12R2.24 O=C1CCC2=CN=CC=C2N1 MC105357 [1,0,0,1,0,0|2,0,0]=4 246 B12R2.24 O=C1CCc2ccccc2O1 MC41795 [1,0,0,1,0,0|0,0,0]=2 247 B12R2.24 O=C1COC2=C(C=CC=C2)N1 CS21568 [1,0,0,1,0,0|2,0,0]=4 248 B12R2.24 O=C1CSC2=CC=CC=C2C1 MC107174 [1,0,0,1,0,0|1,0,0]=3 249 B12R2.18 CN1C(=O)OC2=C1C=CC=C2 MC10211 [0,0,0,1,1,0|2,0,0]=4 250 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 CS22300 [0,0,0,1,0,1|1,0,0]=3 251 B14R2.19 O=C1NC(CC2=CC=CC=C2)CO1 CS10013 [0,0,0,1,0,1|0,0,0]=2 252 B14R2.19 O=C1NC(CC2=CC=CC=C2)CO1 CS10014 [0,0,0,1,0,1|0,0,0]=2 253 B14R2.19 S=C1NC(CC2=CC=CC=C2)CO1 MC114954 [0,0,0,1,0,1|0,1,0]=3 254 B14R2.31 O=C1CCC1OCC2=CC=CC=C2 MC104292 [0,0,0,1,0,1|1,0,0]=3 255 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 MC442722 [0,0,0,1,0,1|1,0,0]=3 256 B14R2.68 O=C1CCN(C2=CC=NC=C2)CC1 CS13579 [0,0,0,1,0,1|2,0,0]=4 257 B14R2.68 O=C1CNC(C2=CC=CC=C2)CO1 MC428330 [0,0,0,1,0,1|0,0,0]=2 258 B14R2.68 O=C1COC(C2=CC=CC=C2)CN1 CS13118 [0,0,0,1,0,1|1,0,0]=3 259 B14R2.95 COC(=O)C1=CNC2=CC=CC=C21 CS16342 [0,0,0,1,0,1|0,0,2]=4 260 B14R2.95 COC(=O)C1=NNC2=CC=CC=C21 CS18305 [0,0,0,1,0,1|1,0,1]=4 261 B14R2.95 O=C(CBr)C1NCC2=CC=CC=C21 MC106281 [0,0,0,1,0,1|2,0,0]=4 262 B14R2.95 O=C(CCl)C1NCC2=CC=CC=C21 MC106280 [0,0,0,1,0,1|2,0,0]=4 263 B14R2.21 O=C1CC(C2=CC=CC=C2)CCN1 CS15109 [0,1,0,1,0,0|1,0,0]=3 264 B14R2.21 O=C1CCCC(C2=CC=CC=C2)N1 MC116196 [0,1,0,1,0,0|2,0,0]=4 265 B14R2.21 O=C1CCCC(C2=CC=NC=C2)C1 MC106126 [0,1,0,1,0,0|2,0,0]=4 266 B14R2.21 O=C1CCNC(C2=CC=CC=C2)C1 MC106734 [0,1,0,1,0,0|1,0,0]=3 267 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 CS21738 [0,1,0,1,0,0|1,0,0]=3 268 B14R2.20 O=C1CC(C2=CC=C(F)C=C2)CN1 MC431580 [0,1,0,1,0,0|1,0,0]=3 269 B14R2.22 Nc1cccc(C2CNC(=O)C2)c1 MC100202 [0,1,0,1,0,0|1,0,0]=3 270 B14R2.22 O=C1CC(C2=CC(Br)=CC=C2)CN1 MC100201 [0,1,0,1,0,0|1,0,0]=3 271 B14R2.29369 CN1C(=O)CNC2=CC(Cl)=CC=C21 MC443710 [0,1,0,1,0,0|2,0,0]=4 272 B14R2.598 O=C1CC(C2=CC=CC=C2)C(=O)O1 MC440514 [0,1,0,1,0,0|0,0,1]=3 273 B14R2.2899 O=C(OCC1=CC=CC=C1)N2CC2 MC430585 [0,1,0,1,0,0|2,0,0]=4 274 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)S1 MC429622 [0,1,0,1,0,0|0,0,2]=4 275 B14R2.972 COC(=O)C1=CC2=CC=CC=C2N1 CS11361 [0,1,0,1,0,0|0,0,2]=4 276 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)N1 MC107164 [0,1,0,1,0,0|1,0,1]=4 277 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)O1 MC106657 [0,1,0,1,0,0|1,0,1]=4 278 B10R1.18 CC(=O)CC1=CC=CN=C1 MC102696 [1,0,0,0,1,0|1,0,0]=3 279 B10R1.18 CC(=O)CC1=CC=NC=C1 CS20988 [1,0,0,0,1,0|1,0,0]=3 280 B10R1.18 CC(=O)CC1=NC=CC=C1 CS20802 [1,0,0,0,1,0|1,0,0]=3 281 B10R1.18 CC(=O)CC1=NC=CC=N1 MC429990 [1,0,0,0,1,0|2,0,0]=4 282 B10R1.18 CC(=O)NC1=CC=CC=C1 MC34102 [1,0,0,0,1,0|1,0,0]=3 283 B10R1.18 CC(Br)CC1=CC=CC=C1 MC41813 [1,0,0,0,1,0|1,0,1]=4 284 B10R1.18 NC(=O)NC1=CC=CC=C1 CS10533 [1,0,0,0,1,0|2,0,0]=4 285 B10R1.18 NC(=O)OC1=CC=CC=C1 MC428148 [1,0,0,0,1,0|2,0,0]=4 286 B10R1.18 O=C(Cl)OC1=CC=CC=C1 CS18823 [1,0,0,0,1,0|2,0,0]=4 287 B10R1.18 O=C(O)CC1=CC=CN=C1 CS20325 [1,0,0,0,1,0|1,0,0]=3 288 B10R1.18 O=C(O)CC1=CC=CN=N1 MC103920 [1,0,0,0,1,0|2,0,0]=4 289 B10R1.18 O=C(O)CC1=CC=NC=C1 CS20327 [1,0,0,0,1,0|1,0,0]=3 290 B10R1.18 O=C(O)CC1=CC=NC=C1 MC41632 [1,0,0,0,1,0|1,0,0]=3 291 B10R1.18 O=C(O)CC1=CN=CN=C1 CS10494 [1,0,0,0,1,0|2,0,0]=4 292 B10R1.18 O=C(O)CC1=CN=NC=C1 MC103838 [1,0,0,0,1,0|2,0,0]=4 293 B10R1.18 O=C(O)CC1=NC=CC=C1 MC41631 [1,0,0,0,1,0|1,0,0]=3 294 B10R1.18 O=C(O)CC1=NC=CC=N1 MC102381 [1,0,0,0,1,0|2,0,0]=4 295 B10R1.18 O=C(O)CC1=NC=NC=C1 MC113226 [1,0,0,0,1,0|2,0,0]=4 296 B10R1.18 O=C([O-])CC1=CC=CC=C1 MC34448 [1,0,0,0,1,0|0,0,1]=3 297 B10R1.66 O=C(O)CCC1=CC=CN1 CS21786 [1,0,0,0,1,0|1,0,0]=3 298 B10R1.66 O=C(O)CCC1=CC=CO1 MC41688 [1,0,0,0,1,0|1,0,0]=3 299 B10R1.66 O=C(O)CCC1=CNC=C1 MC430255 [1,0,0,0,1,0|1,0,0]=3 300 B10R1.66 O=C(O)CCC1=CNC=N1 MC436928 [1,0,0,0,1,0|2,0,0]=4 301 B10R1.27 COC(=O)CC1=CNC=N1 MC431278 [0,0,0,0,2,0|2,0,0]=4 302 B10R1.15 COC(=N)C1=NC=CC=C1 MC106728 [0,0,0,0,2,0|2,0,0]=4 303 B10R1.15 COC(=O)C1=CC=CC=C1 MC40065 [0,0,0,0,2,0|0,0,0]=2 304 B10R1.15 COC(=O)C1=CC=CN=N1 MC444561 [0,0,0,0,2,0|2,0,0]=4 305 B10R1.15 COC(=O)C1=CC=NC=C1 CS18945 [0,0,0,0,2,0|1,0,0]=3 306 B10R1.15 COC(=O)C1=CN=CC=C1 CS19425 [0,0,0,0,2,0|1,0,0]=3 307 B10R1.15 COC(=O)C1=CN=CN=C1 MC444563 [0,0,0,0,2,0|2,0,0]=4 308 B10R1.15 COC(=O)C1=CN=NC=C1 CS13474 [0,0,0,0,2,0|2,0,0]=4 309 B10R1.15 COC(=O)C1=NC=CC=C1 CS19684 [0,0,0,0,2,0|1,0,0]=3 310 B10R1.15 COC(=O)C1=NC=CC=N1 CS19792 [0,0,0,0,2,0|2,0,0]=4 311 B10R1.15 COC(=O)C1=NC=NC=C1 MC444562 [0,0,0,0,2,0|2,0,0]=4 312 B10R1.15 NCC(=O)C1=CC=CC=C1 CS10874 [0,0,0,0,2,0|2,0,0]=4 313 B10R1.15 NNC(=O)C1=CC=CC=C1 CS10971 [0,0,0,0,2,0|2,0,0]=4 314 B10R1.15 O=C(CBr)C1=CC=CC=C1 CS19274 [0,0,0,0,2,0|2,0,0]=4 315 B10R1.15 O=C(CCl)C1=CC=CC=C1 MC20159 [0,0,0,0,2,0|2,0,0]=4 316 B10R1.15 O=C(CI)C1=CC=CC=C1 MC433244 [0,0,0,0,2,0|2,0,0]=4