0 B12R1.27 CC(CO)NCC1=CC=CC=C1 CS11754 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.27 CC(CO)OCC1=CC=CC=C1 MC106974 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.27 COC(=O)CCC1=CC=CC=C1 MC433965 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.27 NCC(=O)OCC1=CC=CC=C1 MC428105 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.27 NCC(=O)OCc1ccccc1 MC437714 [0,0,0,0,0,0|1,0,0]=1 5 B12R1.27 NCC(=O)OCc1ccccc1 MC437715 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CS20449 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.27 NNC(=O)OCc1ccccc1 MC438484 [0,0,0,0,0,0|2,0,0]=2 8 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 CS19947 [0,0,0,0,0,0|1,0,0]=1 9 B11R1.28 BrCCOCC1=CC=CC=C1 CS10998 [1,0,0,0,0,0|1,0,1]=3 10 B11R1.28 C=CCOCC1=CC=CC=C1 MC425090 [1,0,0,0,0,0|0,0,3]=4 11 B11R1.28 CNCCCC1=CC=CC=C1 MC425598 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.28 NCCOCC1=CC=CC=C1 CS20892 [1,0,0,0,0,0|1,0,1]=3 13 B11R1.28 O=CCOCC1=CC=CC=C1 MC429084 [1,0,0,0,0,0|1,0,2]=4 14 B11R1.28 OCCCCC1=CC=CC=C1 CS11170 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.28 OCCOCC1=CC=CC=C1 MC20071 [1,0,0,0,0,0|1,0,1]=3 16 B11R1.91 CC(=O)COC1=CC=CC=C1 MC433248 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.91 CC(=O)NCC1=CN=CN=C1 MC105786 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.91 CC(=O)OCC1=CC=CN=C1 MC33425 [1,0,0,0,0,0|1,0,0]=2 19 B11R1.91 CN(C)CCC1=CC=CC=C1 MC446671 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.91 NC(=O)OCC1=CC=CC=C1 MC428066 [1,0,0,0,0,0|1,0,0]=2 21 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 CS21725 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 MC42251 [1,0,0,0,0,0|1,0,0]=2 23 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CS10957 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.91 O=C(O)CNc1ccccc1 MC439073 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 MC40211 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CS20444 [1,0,0,0,0,0|3,0,0]=4 27 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 MC42230 [0,1,0,0,0,0|2,0,0]=3 28 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 MC42231 [0,1,0,0,0,0|2,0,0]=3 29 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 CS12844 [0,1,0,0,0,0|2,0,0]=3 30 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 CS11125 [0,1,0,0,0,0|2,0,0]=3 31 B13R1.14 COC(=O)\C=C\C1=CC=C(Cl)C=C1 MC433909 [0,1,0,0,0,0|2,0,1]=4 32 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 CS11646 [0,1,0,0,0,0|2,0,1]=4 33 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 MC40106 [0,1,0,0,0,0|2,0,1]=4 34 B13R1.15 COC(=O)C#CC1=CC(F)=CC=C1 MC431831 [0,1,0,0,0,0|2,0,1]=4 35 B13R1.15 COC(=O)CCC1=CC(Br)=CC=C1 MC433967 [0,1,0,0,0,0|2,0,0]=3 36 B13R1.15 COC(=O)\C=C\c1cccc(Br)c1 MC433906 [0,1,0,0,0,0|2,0,1]=4 37 B13R1.42 C=COC(=O)OCC1=CC=CC=C1 MC111305 [0,1,0,0,0,0|0,0,2]=3 38 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 MC428315 [0,1,0,0,0,0|1,0,0]=2 39 B13R1.42 CCOC(=O)COC1=CC=CN=C1 CS19787 [0,1,0,0,0,0|3,0,0]=4 40 B13R1.42 CNCC(=O)OCc1ccccc1 MC438153 [0,1,0,0,0,0|0,0,0]=1 41 B13R1.42 N#CCS(=O)CCC1=CC=CC=C1 MC107688 [0,1,0,0,0,0|2,0,1]=4 42 B13R1.42 NCCC(=O)OCc1ccccc1 MC436156 [0,1,0,0,0,0|0,0,0]=1 43 B13R1.135 COC(=O)C(Br)CC1=CC=CC=C1 MC112426 [0,1,0,0,0,0|2,0,0]=3 44 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 CS11158 [0,1,0,0,0,0|2,0,0]=3 45 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 MC428077 [0,1,0,0,0,0|2,0,0]=3 46 B13R1.135 COC(=O)C(N)Cc1ccccc1 MC438088 [0,1,0,0,0,0|2,0,0]=3 47 B13R1.135 COC(=O)C(N)Cc1cccnc1 MC438145 [0,1,0,0,0,0|3,0,0]=4 48 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 CS11127 [0,1,0,0,0,0|2,0,0]=3 49 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 CS14552 [0,1,0,0,0,0|2,0,0]=3 50 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 CS21578 [0,1,0,0,0,0|2,0,0]=3 51 B13R1.135 NC(Cc1ccccc1)C(=O)CCl MC438073 [0,1,0,0,0,0|2,0,0]=3 52 B13R1.135 NNC(=O)C(N)Cc1ccccc1 MC439014 [0,1,0,0,0,0|3,0,0]=4 53 B13R1.351 CC(N)C(=O)OCC1=CC=CC=C1 CS14334 [0,1,0,0,0,0|0,0,0]=1 54 B13R1.351 CC(N)C(=O)OCc1ccccc1 MC436155 [0,1,0,0,0,0|0,0,0]=1 55 B13R1.351 CC(N)C(=O)OCc1ccccc1 MC436157 [0,1,0,0,0,0|0,0,0]=1 56 B13R1.351 CC(N)C(=O)OCc1ccccc1 MC436158 [0,1,0,0,0,0|0,0,0]=1 57 B13R1.351 CC(O)C(=O)OCC1=CC=CC=C1 MC437818 [0,1,0,0,0,0|0,0,0]=1 58 B13R1.351 CN(N)C(=O)OCC1=CC=CC=C1 CS15331 [0,1,0,0,0,0|1,0,0]=2 59 B13R1.528 COC(=O)CCC1=C(Br)C=CC=C1 MC433966 [0,1,0,0,0,0|2,0,0]=3 60 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 CS13543 [0,0,0,1,0,0|2,0,0]=3 61 B13R2.10 O=C1CCC(C2=CC=NC=C2)C1 MC106176 [0,0,0,1,0,0|2,0,0]=3 62 B13R2.10 O=C1CCC(C2=NC=CC=C2)C1 MC106175 [0,0,0,1,0,0|2,0,0]=3 63 B13R2.10 O=C1NC(C2=CC=CC=C2)CO1 CS11041 [0,0,0,1,0,0|2,0,0]=3 64 B13R2.10 O=C1NC(C2=CC=CC=C2)CO1 CS11043 [0,0,0,1,0,0|2,0,0]=3 65 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 MC442202 [0,0,0,1,0,0|1,0,0]=2 66 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 MC107180 [0,0,0,1,0,0|2,0,1]=4 67 B11R1.40 CCC(=O)CC1=CC=CC=C1 MC41289 [0,0,0,0,1,0|0,0,0]=1 68 B11R1.40 COC(=O)CC1=CC=CN=N1 MC103761 [0,0,0,0,1,0|3,0,0]=4 69 B11R1.40 COC(=O)CC1=CN=NC=C1 MC101903 [0,0,0,0,1,0|3,0,0]=4 70 B11R1.40 COC(=O)CC1=NC=NC=C1 MC104059 [0,0,0,0,1,0|3,0,0]=4 71 B11R1.40 NC(CO)CC1=CC=CC=C1 CS21216 [0,0,0,0,1,0|2,0,1]=4 72 B11R1.40 NC(CO)CC1=CC=CC=C1 MC425862 [0,0,0,0,1,0|2,0,1]=4 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|1,0,0]=2 75 B13R1.718 CC(CN)COCC1=CC=CC=C1 MC103315 [0,0,0,0,0,1|2,0,1]=4 76 B13R1.718 COC(=O)CCNC1=CC=CC=C1 CS22398 [0,0,0,0,0,1|2,0,0]=3 77 B13R1.718 COC(=O)\C=C\NC1=CC=CC=C1 MC111024 [0,0,0,0,0,1|2,0,1]=4 78 B13R1.718 NC(CO)COCC1=CC=CC=C1 CS13312 [0,0,0,0,0,1|2,0,1]=4 79 B13R1.718 OCC(O)COCC1=CC=CC=C1 CS20085 [0,0,0,0,0,1|1,0,2]=4 80 B13R1.718 OCC(O)COCC1=CC=CC=C1 MC436292 [0,0,0,0,0,1|1,0,2]=4 81 B13R1.718 OCC(O)COCC1=CC=CC=C1 MC436293 [0,0,0,0,0,1|1,0,2]=4 82 B10R1.17 BrCCOC1=CC=CC=C1 MC20150 [2,0,0,0,0,0|1,0,1]=4 83 B10R1.17 CNCCC1=CC=CC=C1 MC446670 [2,0,0,0,0,0|1,0,1]=4 84 B10R1.17 ClCCOC1=CC=CC=C1 MC33174 [2,0,0,0,0,0|1,0,1]=4 85 B10R1.17 ClC\C=C\C1=CC=CC=C1 MC41818 [2,0,0,0,0,0|1,0,1]=4 86 B10R1.17 NCCOC1=CC=CC=C1 CS20484 [2,0,0,0,0,0|1,0,1]=4 87 B10R1.17 O=CC#CC1=CC=CC=C1 CS18196 [2,0,0,0,0,0|1,0,1]=4 88 B10R1.17 OCCOC1=CC=CC=C1 MC41398 [2,0,0,0,0,0|1,0,1]=4 89 B12R1.8 BrCCCOCC1=CC=CC=C1 CS10023 [1,1,0,0,0,0|0,0,1]=3 90 B12R1.8 CNCCNCC1=CC=CC=C1 MC107809 [1,1,0,0,0,0|1,0,1]=4 91 B12R1.8 NCCCNCC1=CC=CC=C1 CS11742 [1,1,0,0,0,0|1,0,1]=4 92 B12R1.8 OCCCCCC1=CC=CC=C1 MC443206 [1,1,0,0,0,0|1,0,1]=4 93 B12R1.30 CCCOC(=O)C1=CC=CC=C1 CS11887 [1,1,0,0,0,0|0,0,2]=4 94 B12R1.252 CC(O)COCC1=CC=CC=C1 CS20248 [1,1,0,0,0,0|0,0,1]=3 95 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 CS14964 [1,1,0,0,0,0|1,0,0]=3 96 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 MC431712 [1,1,0,0,0,0|1,0,1]=4 97 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 MC41308 [1,1,0,0,0,0|1,0,1]=4 98 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 CS21832 [1,1,0,0,0,0|2,0,0]=4 99 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 CS21674 [1,1,0,0,0,0|2,0,0]=4 100 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 CS19854 [1,1,0,0,0,0|2,0,0]=4 101 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 CS21107 [1,1,0,0,0,0|2,0,0]=4 102 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O MC445160 [1,1,0,0,0,0|2,0,0]=4 103 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438079 [1,1,0,0,0,0|2,0,0]=4 104 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438080 [1,1,0,0,0,0|2,0,0]=4 105 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438081 [1,1,0,0,0,0|2,0,0]=4 106 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438082 [1,1,0,0,0,0|2,0,0]=4 107 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS15443 [1,1,0,0,0,0|2,0,0]=4 108 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS18748 [1,1,0,0,0,0|2,0,0]=4 109 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS21178 [1,1,0,0,0,0|2,0,0]=4 110 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS15800 [1,1,0,0,0,0|2,0,0]=4 111 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS21095 [1,1,0,0,0,0|2,0,0]=4 112 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 MC438099 [1,1,0,0,0,0|2,0,0]=4 113 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS20784 [1,1,0,0,0,0|1,0,1]=4 114 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC42229 [1,1,0,0,0,0|2,0,0]=4 115 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC428246 [1,1,0,0,0,0|2,0,0]=4 116 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 CS22312 [1,1,0,0,0,0|2,0,0]=4 117 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 CS21656 [1,1,0,0,0,0|2,0,0]=4 118 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 CS21658 [1,1,0,0,0,0|2,0,0]=4 119 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 CS13948 [1,1,0,0,0,0|2,0,0]=4 120 B12R1.226 O=C(O)CCc1cccc(F)c1 MC40203 [1,1,0,0,0,0|2,0,0]=4 121 B12R1.34 CN(C(=O)CN)C1=CC=CC=C1 MC111794 [0,1,0,0,1,0|2,0,0]=4 122 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 MC20896 [0,1,0,0,1,0|1,0,1]=4 123 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 CS13901 [0,1,0,0,1,0|1,0,0]=3 124 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 CS21181 [0,1,0,0,1,0|1,0,0]=3 125 B12R1.34 COC(=O)C(N)C1=NC=CC=C1 CS17643 [0,1,0,0,1,0|2,0,0]=4 126 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 CS18861 [0,1,0,0,1,0|1,0,0]=3 127 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 CS21098 [0,1,0,0,1,0|1,0,0]=3 128 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 MC33263 [0,1,0,0,1,0|1,0,0]=3 129 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 MC40116 [0,1,0,0,1,0|1,0,0]=3 130 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 MC40088 [0,1,0,0,1,0|1,0,0]=3 131 B12R1.49 COC(=O)CC1=CC=C(F)N=C1 MC429489 [0,1,0,0,1,0|2,0,0]=4 132 B12R1.49 COC(=O)CC1=CC=C(N)N=C1 MC431366 [0,1,0,0,1,0|2,0,0]=4 133 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 CS21113 [0,1,0,0,1,0|1,0,0]=3 134 B12R1.50 CCC(=O)NC1=CC(Br)=CN=C1 MC103001 [0,1,0,0,1,0|2,0,0]=4 135 B12R1.50 CCC(=O)NC1=CC(N)=CC=C1 CS21194 [0,1,0,0,1,0|1,0,0]=3 136 B12R1.50 CCC(C)OC1=CC=CC(O)=C1 MC112599 [0,1,0,0,1,0|1,0,1]=4 137 B12R1.50 COC(=O)CC1=CC(Br)=CC=C1 CS20169 [0,1,0,0,1,0|1,0,0]=3 138 B12R1.50 COC(=O)CC1=CC(F)=CC=C1 MC433952 [0,1,0,0,1,0|1,0,0]=3 139 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 CS15979 [0,1,0,0,1,0|1,0,0]=3 140 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 MC40063 [0,1,0,0,1,0|1,0,0]=3 141 B12R1.50 COC(=O)CC1=CC(O)=CC=C1 CS22324 [0,1,0,0,1,0|1,0,0]=3 142 B12R1.50 NNC(=O)CC1=CC(Br)=CC=C1 MC111969 [0,1,0,0,1,0|2,0,0]=4 143 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 CS11591 [0,1,0,0,1,0|1,0,0]=3 144 B12R1.371 COC(=O)CC1=C(Cl)C=CC=C1 CS21677 [0,1,0,0,1,0|1,0,0]=3 145 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 CS11582 [0,1,0,0,1,0|1,0,0]=3 146 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 CS20138 [0,1,0,0,1,0|1,0,0]=3 147 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 CS11453 [0,1,0,0,0,1|2,0,0]=4 148 B14R1.520 CCOC(=O)CCNC1=NC=CC=C1 CS11737 [0,1,0,0,0,1|2,0,0]=4 149 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 CS15465 [0,1,0,0,0,1|1,0,0]=3 150 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 MC103279 [0,1,0,0,0,1|0,0,0]=2 151 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 CS16805 [0,1,0,0,0,1|1,0,0]=3 152 B14R1.520 N#CCC(=O)COCC1=CC=CC=C1 MC103280 [0,1,0,0,0,1|0,0,1]=3 153 B14R1.756 CCC(=O)C(C)OCC1=CC=CC=C1 MC418495 [0,1,0,0,0,1|0,0,0]=2 154 B14R1.756 COC(=O)C(N)CCc1ccccc1 MC439295 [0,1,0,0,0,1|2,0,0]=4 155 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 CS11380 [0,2,0,0,0,0|1,0,1]=4 156 B14R1.85 COC(=O)C(O)C(N)C1=CC=CC=C1 CS19688 [0,2,0,0,0,0|2,0,0]=4 157 B14R1.85 COC(=O)C(O)C(N)C1=CC=CC=C1 MC103826 [0,2,0,0,0,0|2,0,0]=4 158 B14R1.85 COC(=O)C(O)C(N)C1=CC=CC=C1 MC103827 [0,2,0,0,0,0|2,0,0]=4 159 B14R1.134 COC(=O)C(N)CC1=CC=C(O)C=C1 MC438272 [0,2,0,0,0,0|2,0,0]=4 160 B14R1.134 COC(=O)C(N)Cc1ccc(Br)cc1 MC439351 [0,2,0,0,0,0|2,0,0]=4 161 B14R1.134 COC(=O)C(N)Cc1ccc(Cl)cc1 MC436858 [0,2,0,0,0,0|2,0,0]=4 162 B14R1.134 COC(=O)C(N)Cc1ccc(Cl)cc1 MC436859 [0,2,0,0,0,0|2,0,0]=4 163 B14R1.134 COC(=O)C(N)Cc1ccc(F)cc1 MC437014 [0,2,0,0,0,0|2,0,0]=4 164 B14R1.134 COC(=O)C(N)Cc1ccc(F)cc1 MC437015 [0,2,0,0,0,0|2,0,0]=4 165 B14R1.134 COC(=O)C(N)Cc1ccc(O)cc1 CS14225 [0,2,0,0,0,0|2,0,0]=4 166 B14R1.134 COC(=O)C(N)Cc1ccc(O)cc1 MC438273 [0,2,0,0,0,0|2,0,0]=4 167 B14R1.134 COC(=O)C(N)Cc1ccc(O)cc1 MC438274 [0,2,0,0,0,0|2,0,0]=4 168 B14R1.502 CCOC(=O)C#Cc1ccc(Cl)cc1 MC434037 [0,2,0,0,0,0|1,0,1]=4 169 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 CS12527 [0,2,0,0,0,0|1,0,0]=3 170 B14R1.502 CCOC(=O)CCC1=CC=C(F)C=C1 MC40041 [0,2,0,0,0,0|1,0,0]=3 171 B14R1.502 CCOC(=O)CCC1=CC=C(N)C=C1 MC442444 [0,2,0,0,0,0|1,0,0]=3 172 B14R1.502 CCOC(=O)CCC1=CC=C(N)N=C1 MC429710 [0,2,0,0,0,0|2,0,0]=4 173 B14R1.502 CCOC(=O)CSC1=CC=C(O)C=C1 MC120175 [0,2,0,0,0,0|2,0,0]=4 174 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Cl)C=C1 MC433908 [0,2,0,0,0,0|1,0,1]=4 175 B14R1.502 CCOC(=O)\C=C\C1=CC=C(O)C=C1 MC431718 [0,2,0,0,0,0|1,0,1]=4 176 B14R1.135 COC(=O)C(N)Cc1cccc(F)c1 MC437013 [0,2,0,0,0,0|2,0,0]=4 177 B14R1.60 CCOC(=O)C(N)Cc1ccccc1 MC438087 [0,2,0,0,0,0|1,0,0]=3 178 B14R1.156 NCCCC(=O)OCc1ccccc1 MC436009 [0,2,0,0,0,0|0,0,0]=2 179 B14R1.156 NCCNC(=O)NCC1=CC=CC=C1 MC112506 [0,2,0,0,0,0|1,0,0]=3 180 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 CS11001 [0,2,0,0,0,0|0,0,0]=2 181 B14R1.156 NCCNC(=O)OCc1ccccc1 MC438390 [0,2,0,0,0,0|0,0,0]=2 182 B14R1.156 O=C(NCCBr)OCC1=CC=CC=C1 CS13478 [0,2,0,0,0,0|0,0,0]=2 183 B14R1.156 O=C(NCCO)OCC1=CC=CC=C1 CS11002 [0,2,0,0,0,0|0,0,0]=2 184 B14R1.156 O=C(\C=C\C1=CC=CC=C1)NCCO MC445457 [0,2,0,0,0,0|1,0,1]=4 185 B14R1.598 CCOC(=O)COC1=C(O)C=CC=C1 MC443167 [0,2,0,0,0,0|2,0,0]=4 186 B14R1.818 O=C(O)CC(=O)OCC1=CC=NC=C1 MC110597 [0,2,0,0,0,0|1,0,1]=4 187 B14R1.1031 CNC(Cc1ccccc1)C(=O)OC MC437933 [0,2,0,0,0,0|2,0,0]=4 188 B14R1.1031 CNC(Cc1ccccc1)C(=O)OC MC437934 [0,2,0,0,0,0|2,0,0]=4 189 B14R1.1107 COC(=O)C(C)(N)Cc1ccccc1 MC437935 [0,2,0,0,0,0|2,0,0]=4 190 B14R1.3099 CC(C)(N)C(=O)OCC1=CC=CC=C1 MC436137 [0,2,0,0,0,0|0,0,0]=2 191 B14R1.3099 N=C(OCC1=CC=CC=C1)C(Cl)(Cl)Cl MC445661 [0,2,0,0,0,0|2,0,0]=4 192 B14R1.863 COC(=O)CCC1=C(OC)C=CC=C1 MC106255 [0,2,0,0,0,0|2,0,0]=4 193 B12R2.2 C1=CC=C(C2CCCN2)C=C1 CS11140 [1,0,0,1,0,0|1,0,1]=4 194 B12R2.2 C1=CC=C(C2CCCN2)C=C1 CS17953 [1,0,0,1,0,0|1,0,1]=4 195 B12R2.2 C1=CC=C(C2CCCN2)C=C1 MC105777 [1,0,0,1,0,0|1,0,1]=4 196 B12R2.2 C1=CC=C(C2CCNC2)C=C1 MC106676 [1,0,0,1,0,0|2,0,0]=4 197 B12R2.41 C1=CC2=C(C=C1)CCNCC2 MC434053 [1,0,0,1,0,0|2,0,0]=4 198 B12R2.41 C1=CC2=C(C=C1)CNCCC2 CS12567 [1,0,0,1,0,0|1,0,1]=4 199 B12R2.1081 CC1CNCC2=CC=CC=C21 CS17240 [1,0,0,1,0,0|1,0,1]=4 200 B12R2.1081 CC1NCCC2=CC=CC=C21 CS12178 [1,0,0,1,0,0|2,0,0]=4 201 B12R2.1081 CC1NCCC2=CC=CC=C21 CS15270 [1,0,0,1,0,0|2,0,0]=4 202 B12R2.1081 NC1COCC2=CC=CC=C21 MC100130 [1,0,0,1,0,0|1,0,1]=4 203 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 MC105058 [1,0,0,1,0,0|1,0,0]=3 204 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 MC440135 [1,0,0,1,0,0|1,0,0]=3 205 B12R2.24 O=C1CCC2=CC=CC=C2N1 CS11038 [1,0,0,1,0,0|2,0,0]=4 206 B12R2.24 O=C1CCc2ccccc2O1 MC41795 [1,0,0,1,0,0|2,0,0]=4 207 B12R2.24 O=C1CSC2=CC=CC=C2C1 MC107174 [1,0,0,1,0,0|2,0,0]=4 208 B12R2.18 CN1C(=O)OC2=C1C=CC=C2 MC10211 [0,0,0,1,1,0|1,0,0]=3 209 B12R2.32 BrCC1=NC2=C(C=CC=C2)O1 CS12836 [0,0,0,1,1,0|2,0,0]=4 210 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 CS18815 [0,0,0,1,1,0|2,0,0]=4 211 B12R2.32 CSC1=NC2=C(C=CC=C2)O1 MC31049 [0,0,0,1,1,0|2,0,0]=4 212 B12R2.32 ClCC1=NC2=C(C=CC=C2)O1 MC442523 [0,0,0,1,1,0|2,0,0]=4 213 B12R2.32 NCC1=CC2=C(C=CC=C2)O1 MC111185 [0,0,0,1,1,0|2,0,0]=4 214 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 CS22300 [0,0,0,1,0,1|1,0,0]=3 215 B14R2.19 O=C1NC(CC2=CC=CC=C2)CO1 CS10013 [0,0,0,1,0,1|2,0,0]=4 216 B14R2.19 O=C1NC(CC2=CC=CC=C2)CO1 CS10014 [0,0,0,1,0,1|2,0,0]=4 217 B14R2.31 O=C1CCC1OCC2=CC=CC=C2 MC104292 [0,0,0,1,0,1|0,0,0]=2 218 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 MC442722 [0,0,0,1,0,1|1,0,0]=3 219 B14R2.68 O=C1CCN(C2=CC=NC=C2)CC1 CS13579 [0,0,0,1,0,1|2,0,0]=4 220 B14R2.68 O=C1CNC(C2=CC=CC=C2)CO1 MC428330 [0,0,0,1,0,1|1,0,0]=3 221 B14R2.68 O=C1COC(C2=CC=CC=C2)CN1 CS13118 [0,0,0,1,0,1|1,0,0]=3 222 B14R2.95 O=C(CBr)C1NCC2=CC=CC=C21 MC106281 [0,0,0,1,0,1|2,0,0]=4 223 B14R2.95 O=C(CCl)C1NCC2=CC=CC=C21 MC106280 [0,0,0,1,0,1|2,0,0]=4 224 B14R2.21 O=C1CC(C2=CC=CC=C2)CCN1 CS15109 [0,1,0,1,0,0|1,0,0]=3 225 B14R2.21 O=C1CCCC(C2=CC=CC=C2)N1 MC116196 [0,1,0,1,0,0|1,0,0]=3 226 B14R2.21 O=C1CCCC(C2=CC=NC=C2)C1 MC106126 [0,1,0,1,0,0|2,0,0]=4 227 B14R2.21 O=C1CCNC(C2=CC=CC=C2)C1 MC106734 [0,1,0,1,0,0|1,0,0]=3 228 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 CS21738 [0,1,0,1,0,0|1,0,0]=3 229 B14R2.260 CC1CN(C2=CC=CC=C2)NC1=O CS10019 [0,1,0,1,0,0|2,0,0]=4 230 B14R2.20 O=C1CC(C2=CC=C(F)C=C2)CN1 MC431580 [0,1,0,1,0,0|2,0,0]=4 231 B14R2.22 Nc1cccc(C2CNC(=O)C2)c1 MC100202 [0,1,0,1,0,0|2,0,0]=4 232 B14R2.22 O=C1CC(C2=CC(Br)=CC=C2)CN1 MC100201 [0,1,0,1,0,0|2,0,0]=4 233 B14R2.436 NC1CC(OCC2=CC=CC=C2)C1 MC102178 [0,1,0,1,0,0|1,0,1]=4 234 B14R2.436 NC1CC(OCC2=CC=CC=C2)C1 MC104207 [0,1,0,1,0,0|1,0,1]=4 235 B14R2.2899 O=C(OCC1=CC=CC=C1)N2CC2 MC430585 [0,1,0,1,0,0|0,0,0]=2 236 B10R1.18 CC(=O)CC1=CC=CN=C1 MC102696 [1,0,0,0,1,0|1,0,0]=3 237 B10R1.18 CC(=O)CC1=CC=NC=C1 CS20988 [1,0,0,0,1,0|1,0,0]=3 238 B10R1.18 CC(=O)CC1=NC=CC=C1 CS20802 [1,0,0,0,1,0|1,0,0]=3 239 B10R1.18 CC(=O)CC1=NC=CC=N1 MC429990 [1,0,0,0,1,0|2,0,0]=4 240 B10R1.18 CC(=O)NC1=CC=CC=C1 MC34102 [1,0,0,0,1,0|1,0,0]=3 241 B10R1.18 CC(Br)CC1=CC=CC=C1 MC41813 [1,0,0,0,1,0|1,0,1]=4 242 B10R1.18 CC(C)OC1=CC=CC=C1 MC41360 [1,0,0,0,1,0|1,0,1]=4 243 B10R1.18 NC(=O)NC1=CC=CC=C1 CS10533 [1,0,0,0,1,0|2,0,0]=4 244 B10R1.18 NC(=O)OC1=CC=CC=C1 MC428148 [1,0,0,0,1,0|1,0,0]=3 245 B10R1.18 O=C(Cl)OC1=CC=CC=C1 CS18823 [1,0,0,0,1,0|1,0,0]=3 246 B10R1.18 O=C(O)CC1=CC=CN=C1 CS20325 [1,0,0,0,1,0|2,0,0]=4 247 B10R1.18 O=C(O)CC1=CC=NC=C1 CS20327 [1,0,0,0,1,0|2,0,0]=4 248 B10R1.18 O=C(O)CC1=CC=NC=C1 MC41632 [1,0,0,0,1,0|2,0,0]=4 249 B10R1.18 O=C(O)CC1=NC=CC=C1 MC41631 [1,0,0,0,1,0|2,0,0]=4 250 B10R1.18 O=C([O-])CC1=CC=CC=C1 MC34448 [1,0,0,0,1,0|1,0,0]=3 251 B10R1.15 C=C(CBr)C1=CC=CC=C1 CS20091 [0,0,0,0,2,0|2,0,0]=4 252 B10R1.15 CCC(C)C1=CC=CC=C1 CS11947 [0,0,0,0,2,0|1,0,1]=4 253 B10R1.15 CCC(C)C1=CC=CC=C1 MC433489 [0,0,0,0,2,0|1,0,1]=4 254 B10R1.15 CCC(N)C1=CC=CC=C1 MC20337 [0,0,0,0,2,0|1,0,1]=4 255 B10R1.15 COC(=O)C1=CC=CC=C1 MC40065 [0,0,0,0,2,0|1,0,0]=3 256 B10R1.15 COC(=O)C1=CC=NC=C1 CS18945 [0,0,0,0,2,0|2,0,0]=4 257 B10R1.15 COC(=O)C1=CN=CC=C1 CS19425 [0,0,0,0,2,0|2,0,0]=4 258 B10R1.15 COC(=O)C1=NC=CC=C1 CS19684 [0,0,0,0,2,0|2,0,0]=4 259 B10R1.15 NCC(=O)C1=CC=CC=C1 CS10874 [0,0,0,0,2,0|1,0,0]=3 260 B10R1.15 NCC(=O)C1=NC=CC=C1 MC33498 [0,0,0,0,2,0|2,0,0]=4 261 B10R1.15 NNC(=O)C1=CC=CC=C1 CS10971 [0,0,0,0,2,0|2,0,0]=4 262 B10R1.15 O=C(CBr)C1=CC=CC=C1 CS19274 [0,0,0,0,2,0|1,0,0]=3 263 B10R1.15 O=C(CBr)C1=CC=CN=C1 MC42216 [0,0,0,0,2,0|2,0,0]=4 264 B10R1.15 O=C(CBr)C1=CC=NC=C1 CS20175 [0,0,0,0,2,0|2,0,0]=4 265 B10R1.15 O=C(CCl)C1=CC=CC=C1 MC20159 [0,0,0,0,2,0|1,0,0]=3 266 B10R1.15 O=C(CI)C1=CC=CC=C1 MC433244 [0,0,0,0,2,0|1,0,0]=3