0 B12R1.32 CCNC(=S)NC1=CC=CC=C1 MC427354 [0,0,0,0,0,0|2,1,0]=3 1 B12R1.32 CCOC(=O)CC1=NC=CC=C1 MC41619 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.32 CCOC(=O)CC1=NC=CC=N1 CS12227 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.32 CN(CCO)CC1=CC=CC=C1 CS11755 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 MC40795 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.28 BrCCOCC1=CC=CC=C1 CS10998 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.28 CNCCCC1=CC=CC=C1 MC425598 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.28 NCCOCC1=CC=CC=C1 CS20892 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.28 OCCCCC1=CC=CC=C1 CS11170 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.28 OCCOCC1=CC=CC=C1 MC20071 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.40 CCC(=O)CC1=CC=CC=C1 MC41289 [1,0,0,0,0,0|0,0,0]=1 11 B11R1.40 COC(=O)CC1=CC=CN=N1 MC103761 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.40 COC(=O)CC1=CN=NC=C1 MC101903 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.40 COC(=O)CC1=NC=NC=C1 MC104059 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.40 NC(CO)CC1=CC=CC=C1 CS21216 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.40 NC(CO)CC1=CC=CC=C1 MC425862 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.40 NNC(=O)CC1=CC=NC=C1 CS21751 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.40 O=C(CO)CC1=CC=CC=C1 MC107738 [1,0,0,0,0,0|1,0,0]=2 18 B13R1.19 CCOC(=O)CC1=CC=C(Br)C=C1 CS13678 [0,1,0,0,0,0|0,0,0]=1 19 B13R1.19 CCOC(=O)CC1=CC=C(C)C=C1 MC40045 [0,1,0,0,0,0|0,0,0]=1 20 B13R1.19 CCOC(=O)CC1=CC=C(C)N=C1 MC107448 [0,1,0,0,0,0|1,0,0]=2 21 B13R1.19 CCOC(=O)CC1=CC=C(Cl)C=C1 CS11364 [0,1,0,0,0,0|0,0,0]=1 22 B13R1.19 CCOC(=O)CC1=CC=C(Cl)N=N1 MC104034 [0,1,0,0,0,0|2,0,0]=3 23 B13R1.19 CCOC(=O)CC1=CC=C(F)C=C1 CS12592 [0,1,0,0,0,0|0,0,0]=1 24 B13R1.19 CCOC(=O)CC1=NC=C(Br)C=N1 CS19726 [0,1,0,0,0,0|2,0,0]=3 25 B13R1.19 CCOC(=O)CC1=NC=C(F)C=C1 MC430659 [0,1,0,0,0,0|1,0,0]=2 26 B13R1.19 CCOC(=O)CC1=NC=C(F)C=N1 CS16842 [0,1,0,0,0,0|2,0,0]=3 27 B13R1.19 CCOC(=O)CC1=NC=C(N)C=C1 MC104031 [0,1,0,0,0,0|1,0,0]=2 28 B13R1.19 CCOC(=O)CC1=NC=C(O)C=C1 MC101950 [0,1,0,0,0,0|1,0,0]=2 29 B13R1.20 CCOC(=O)CC1=CC(Br)=CC=C1 CS12283 [0,1,0,0,0,0|0,0,0]=1 30 B13R1.20 CCOC(=O)CC1=CC(F)=CN=C1 MC115671 [0,1,0,0,0,0|1,0,0]=2 31 B13R1.20 CCOC(=O)CC1=CC(N)=CC=C1 CS17331 [0,1,0,0,0,0|0,0,0]=1 32 B13R1.20 CCOC(=O)CC1=NC(Cl)=CC=C1 MC106442 [0,1,0,0,0,0|1,0,0]=2 33 B13R1.20 CCOC(=O)CC1=NC=CC(Br)=C1 MC107123 [0,1,0,0,0,0|1,0,0]=2 34 B13R1.20 CCOC(=O)CC1=NC=NC(C)=C1 MC104703 [0,1,0,0,0,0|2,0,0]=3 35 B13R1.20 O=C(CCCl)NC1=CC(O)=CC=C1 MC425496 [0,1,0,0,0,0|3,0,0]=4 36 B13R1.47 CCOC(=O)C(N)C1=CC=CC=C1 MC425900 [0,1,0,0,0,0|0,0,0]=1 37 B13R1.47 CCOC(=O)C(N)C1=NC=CC=C1 MC105176 [0,1,0,0,0,0|1,0,0]=2 38 B13R1.47 CCOC(=O)C(N)c1ccccc1 MC438107 [0,1,0,0,0,0|0,0,0]=1 39 B13R1.47 CCOC(=O)C(O)C1=CC=CC=C1 MC20544 [0,1,0,0,0,0|0,0,0]=1 40 B13R1.470 CCOC(=O)CC1=C(Br)C=CC=C1 CS17651 [0,1,0,0,0,0|0,0,0]=1 41 B13R1.470 CCOC(=O)CC1=CC=CN=C1F MC429653 [0,1,0,0,0,0|1,0,0]=2 42 B13R1.470 CCOC(=O)CC1=NC=CC=C1O MC104308 [0,1,0,0,0,0|1,0,0]=2 43 B13R2.26 CCCC1=NC2=C(C=CC=C2)N1 CS19133 [0,0,0,1,0,0|3,0,0]=4 44 B13R2.64 C1=CC=C(CN2CCCC2)C=C1 MC33310 [0,0,0,1,0,0|3,0,0]=4 45 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 CS10012 [0,0,0,1,0,0|2,0,0]=3 46 B13R2.163 O=C1COCC2=C(C=CC=C2)N1 MC431588 [0,0,0,1,0,0|3,0,0]=4 47 B13R2.328 CN1CC(=O)NC2=CC=CC=C21 MC107481 [0,0,0,1,0,0|3,0,0]=4 48 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 MC33305 [0,0,0,1,0,0|2,0,1]=4 49 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 CS11507 [0,0,0,1,0,0|2,0,1]=4 50 B11R1.16 CCCC(=O)C1=CC=CN=C1 MC443690 [0,0,0,0,1,0|2,0,0]=3 51 B11R1.16 CCOC(=O)C1=CC=NC=C1 MC41618 [0,0,0,0,1,0|1,0,0]=2 52 B11R1.16 CCOC(=O)C1=CN=CC=C1 CS19194 [0,0,0,0,1,0|1,0,0]=2 53 B11R1.16 CCOC(=O)C1=NC=CC=C1 CS14035 [0,0,0,0,1,0|1,0,0]=2 54 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CS10995 [0,0,0,0,1,0|2,0,1]=4 55 B11R1.16 O=C(CCCl)C1=CC=CC=C1 MC41279 [0,0,0,0,1,0|2,0,0]=3 56 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 MC41078 [0,0,0,0,1,0|2,0,1]=4 57 B11R1.30 CCOC(=O)CC1=NC=CS1 CS13253 [0,0,0,0,1,0|2,0,0]=3 58 B13R1.42 C=COC(=O)OCC1=CC=CC=C1 MC111305 [0,0,0,0,0,1|0,0,2]=3 59 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 MC428315 [0,0,0,0,0,1|1,0,0]=2 60 B13R1.42 CCOC(=O)COC1=CC=CN=C1 CS19787 [0,0,0,0,0,1|1,0,0]=2 61 B13R1.42 CNCC(=O)OCc1ccccc1 MC438153 [0,0,0,0,0,1|2,0,0]=3 62 B13R1.42 NCCC(=O)OCc1ccccc1 MC436156 [0,0,0,0,0,1|2,0,0]=3 63 B10R1.17 CNCCC1=CC=CC=C1 MC446670 [2,0,0,0,0,0|1,0,1]=4 64 B10R1.17 ClC\C=C\C1=CC=CC=C1 MC41818 [2,0,0,0,0,0|1,0,1]=4 65 B10R1.18 CC(=O)CC1=CC=CN=C1 MC102696 [2,0,0,0,0,0|1,0,0]=3 66 B10R1.18 CC(=O)CC1=CC=NC=C1 CS20988 [2,0,0,0,0,0|1,0,0]=3 67 B10R1.18 CC(=O)CC1=NC=CC=C1 CS20802 [2,0,0,0,0,0|1,0,0]=3 68 B10R1.18 CC(=O)CC1=NC=CC=N1 MC429990 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.18 CC(=O)NC1=CC=CC=C1 MC34102 [2,0,0,0,0,0|1,0,0]=3 70 B10R1.18 CC(Br)CC1=CC=CC=C1 MC41813 [2,0,0,0,0,0|1,0,1]=4 71 B10R1.18 NC(=O)NC1=CC=CC=C1 CS10533 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.18 NC(=O)OC1=CC=CC=C1 MC428148 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.18 O=C(Cl)OC1=CC=CC=C1 CS18823 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.18 O=C(O)CC1=CC=CN=C1 CS20325 [2,0,0,0,0,0|1,0,0]=3 75 B10R1.18 O=C(O)CC1=CC=CN=N1 MC103920 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.18 O=C(O)CC1=CC=NC=C1 CS20327 [2,0,0,0,0,0|1,0,0]=3 77 B10R1.18 O=C(O)CC1=CC=NC=C1 MC41632 [2,0,0,0,0,0|1,0,0]=3 78 B10R1.18 O=C(O)CC1=CN=CN=C1 CS10494 [2,0,0,0,0,0|2,0,0]=4 79 B10R1.18 O=C(O)CC1=CN=NC=C1 MC103838 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.18 O=C(O)CC1=NC=CC=C1 MC41631 [2,0,0,0,0,0|1,0,0]=3 81 B10R1.18 O=C(O)CC1=NC=CC=N1 MC102381 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.18 O=C(O)CC1=NC=NC=C1 MC113226 [2,0,0,0,0,0|2,0,0]=4 83 B10R1.18 O=C([O-])CC1=CC=CC=C1 MC34448 [2,0,0,0,0,0|0,0,1]=3 84 B12R1.8 BrCCCOCC1=CC=CC=C1 CS10023 [1,1,0,0,0,0|2,0,0]=4 85 B12R1.8 CNCCNCC1=CC=CC=C1 MC107809 [1,1,0,0,0,0|2,0,0]=4 86 B12R1.8 NCCCNCC1=CC=CC=C1 CS11742 [1,1,0,0,0,0|2,0,0]=4 87 B12R1.8 OCCCCCC1=CC=CC=C1 MC443206 [1,1,0,0,0,0|1,0,1]=4 88 B12R1.252 CC(=O)OCCC1=CC=CC=C1 MC40009 [1,1,0,0,0,0|0,0,2]=4 89 B12R1.252 CC(O)COCC1=CC=CC=C1 CS20248 [1,1,0,0,0,0|2,0,0]=4 90 B12R1.34 CN(C(=O)CN)C1=CC=CC=C1 MC111794 [1,1,0,0,0,0|2,0,0]=4 91 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 MC20896 [1,1,0,0,0,0|0,0,1]=3 92 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 CS13901 [1,1,0,0,0,0|0,0,0]=2 93 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 CS21181 [1,1,0,0,0,0|0,0,0]=2 94 B12R1.34 COC(=O)C(N)C1=NC=CC=C1 CS17643 [1,1,0,0,0,0|1,0,0]=3 95 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 CS18861 [1,1,0,0,0,0|0,0,0]=2 96 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 CS21098 [1,1,0,0,0,0|0,0,0]=2 97 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 MC33263 [1,1,0,0,0,0|0,0,0]=2 98 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 MC40116 [1,1,0,0,0,0|0,0,0]=2 99 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 MC40088 [1,1,0,0,0,0|0,0,0]=2 100 B12R1.49 COC(=O)CC1=CC=C(F)N=C1 MC429489 [1,1,0,0,0,0|1,0,0]=3 101 B12R1.49 COC(=O)CC1=CC=C(N)N=C1 MC431366 [1,1,0,0,0,0|1,0,0]=3 102 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 CS21113 [1,1,0,0,0,0|0,0,0]=2 103 B12R1.50 CCC(=O)NC1=CC(Br)=CN=C1 MC103001 [1,1,0,0,0,0|2,0,0]=4 104 B12R1.50 CCC(=O)NC1=CC(N)=CC=C1 CS21194 [1,1,0,0,0,0|1,0,0]=3 105 B12R1.50 COC(=O)CC1=CC(Br)=CC=C1 CS20169 [1,1,0,0,0,0|0,0,0]=2 106 B12R1.50 COC(=O)CC1=CC(F)=CC=C1 MC433952 [1,1,0,0,0,0|0,0,0]=2 107 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 CS15979 [1,1,0,0,0,0|0,0,0]=2 108 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 MC40063 [1,1,0,0,0,0|0,0,0]=2 109 B12R1.50 COC(=O)CC1=CC(O)=CC=C1 CS22324 [1,1,0,0,0,0|0,0,0]=2 110 B12R1.50 NNC(=O)CC1=CC(Br)=CC=C1 MC111969 [1,1,0,0,0,0|2,0,0]=4 111 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 CS11591 [1,1,0,0,0,0|0,0,0]=2 112 B12R1.371 COC(=O)CC1=C(Cl)C=CC=C1 CS21677 [1,1,0,0,0,0|0,0,0]=2 113 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 CS11582 [1,1,0,0,0,0|0,0,0]=2 114 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 CS20138 [1,1,0,0,0,0|0,0,0]=2 115 B12R1.16 CCOC(=O)C1=CC=C(Br)C=C1 CS11362 [0,1,0,0,1,0|0,0,0]=2 116 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 CS11363 [0,1,0,0,1,0|0,0,0]=2 117 B12R1.16 CCOC(=O)C1=CC=C(Cl)N=N1 CS12305 [0,1,0,0,1,0|2,0,0]=4 118 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 CS21694 [0,1,0,0,1,0|0,0,0]=2 119 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 CS19762 [0,1,0,0,1,0|0,0,0]=2 120 B12R1.16 CCOC(=O)C1=CC=C(N)N=N1 MC425265 [0,1,0,0,1,0|2,0,0]=4 121 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 CS18640 [0,1,0,0,1,0|0,0,0]=2 122 B12R1.16 CCOC(=O)C1=CN=C(Br)C=C1 CS12492 [0,1,0,0,1,0|1,0,0]=3 123 B12R1.16 CCOC(=O)C1=CN=C(C)N=C1 CS11397 [0,1,0,0,1,0|2,0,0]=4 124 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=C1 CS20898 [0,1,0,0,1,0|1,0,0]=3 125 B12R1.16 CCOC(=O)C1=CN=C(Cl)N=C1 CS12296 [0,1,0,0,1,0|2,0,0]=4 126 B12R1.16 CCOC(=O)C1=CN=C(N)N=C1 CS21311 [0,1,0,0,1,0|2,0,0]=4 127 B12R1.16 CCOC(=O)C1=CN=C(O)C=C1 CS18817 [0,1,0,0,1,0|1,0,0]=3 128 B12R1.16 CCOC(=O)C1=NC=C(Br)C=C1 CS19325 [0,1,0,0,1,0|1,0,0]=3 129 B12R1.16 CCOC(=O)C1=NC=C(Br)C=N1 CS12561 [0,1,0,0,1,0|2,0,0]=4 130 B12R1.16 CCOC(=O)C1=NC=C(Br)N=C1 CS12107 [0,1,0,0,1,0|2,0,0]=4 131 B12R1.16 CCOC(=O)C1=NC=C(C)C=C1 CS14696 [0,1,0,0,1,0|1,0,0]=3 132 B12R1.16 CCOC(=O)C1=NC=C(Cl)N=C1 CS16733 [0,1,0,0,1,0|2,0,0]=4 133 B12R1.16 CCOC(=O)C1=NC=C(N)C=C1 MC430639 [0,1,0,0,1,0|1,0,0]=3 134 B12R1.16 CCOC(=O)C1=NC=C(N)N=C1 MC425285 [0,1,0,0,1,0|2,0,0]=4 135 B12R1.16 O=C(CCCl)C1=CC=C(Br)C=C1 MC41277 [0,1,0,0,1,0|2,0,0]=4 136 B12R1.16 O=C(CCCl)C1=CC=C(Cl)C=C1 MC433259 [0,1,0,0,1,0|2,0,0]=4 137 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 CS14887 [0,1,0,0,1,0|2,0,0]=4 138 B12R1.17 CCOC(=O)C1=CC(=O)NC=N1 MC106697 [0,1,0,0,1,0|2,0,0]=4 139 B12R1.17 CCOC(=O)C1=CC(Br)=CC=C1 MC40031 [0,1,0,0,1,0|0,0,0]=2 140 B12R1.17 CCOC(=O)C1=CC(Br)=NC=C1 MC20736 [0,1,0,0,1,0|1,0,0]=3 141 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=C1 CS14959 [0,1,0,0,1,0|1,0,0]=3 142 B12R1.17 CCOC(=O)C1=CC(I)=CC=C1 CS11354 [0,1,0,0,1,0|0,0,0]=2 143 B12R1.17 CCOC(=O)C1=CC(N)=CC=C1 MC40025 [0,1,0,0,1,0|0,0,0]=2 144 B12R1.17 CCOC(=O)C1=CC(N)=NC=C1 CS17963 [0,1,0,0,1,0|1,0,0]=3 145 B12R1.17 CCOC(=O)C1=CC(O)=CC=C1 CS11352 [0,1,0,0,1,0|0,0,0]=2 146 B12R1.17 CCOC(=O)C1=CN=CC(Br)=C1 CS22041 [0,1,0,0,1,0|1,0,0]=3 147 B12R1.17 CCOC(=O)C1=CN=CC(F)=C1 MC430707 [0,1,0,0,1,0|1,0,0]=3 148 B12R1.17 CCOC(=O)C1=NC(=O)NC=C1 MC441257 [0,1,0,0,1,0|2,0,0]=4 149 B12R1.17 CCOC(=O)C1=NC(Br)=CC=C1 CS13935 [0,1,0,0,1,0|1,0,0]=3 150 B12R1.17 CCOC(=O)C1=NC(Br)=NC=C1 MC442162 [0,1,0,0,1,0|2,0,0]=4 151 B12R1.17 CCOC(=O)C1=NC(Cl)=CC=C1 CS15548 [0,1,0,0,1,0|1,0,0]=3 152 B12R1.17 CCOC(=O)C1=NC(Cl)=NC=C1 MC441258 [0,1,0,0,1,0|2,0,0]=4 153 B12R1.17 CCOC(=O)C1=NC(N)=CC=C1 CS10611 [0,1,0,0,1,0|1,0,0]=3 154 B12R1.17 CCOC(=O)C1=NC(N)=NC=C1 MC441256 [0,1,0,0,1,0|2,0,0]=4 155 B12R1.17 CCOC(=O)C1=NC=CC(N)=N1 CS12503 [0,1,0,0,1,0|2,0,0]=4 156 B12R1.17 CCOC(=O)C1=NC=NC(Cl)=C1 MC442159 [0,1,0,0,1,0|2,0,0]=4 157 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS20784 [0,1,0,0,1,0|1,0,1]=4 158 B12R1.308 CCCC(=O)C1=C(N)C=CC=C1 MC430441 [0,1,0,0,1,0|1,0,0]=3 159 B12R1.308 CCOC(=O)C1=C(Br)C=CC=C1 MC20191 [0,1,0,0,1,0|0,0,0]=2 160 B12R1.308 CCOC(=O)C1=C(Br)C=NC=C1 MC20829 [0,1,0,0,1,0|1,0,0]=3 161 B12R1.308 CCOC(=O)C1=C(Br)N=CC=C1 CS21405 [0,1,0,0,1,0|1,0,0]=3 162 B12R1.308 CCOC(=O)C1=C(C)C=CC=C1 MC40044 [0,1,0,0,1,0|0,0,0]=2 163 B12R1.308 CCOC(=O)C1=C(C)C=CN=N1 MC104552 [0,1,0,0,1,0|2,0,0]=4 164 B12R1.308 CCOC(=O)C1=C(C)N=NC=C1 MC104788 [0,1,0,0,1,0|2,0,0]=4 165 B12R1.308 CCOC(=O)C1=C(Cl)N=CC=C1 CS20897 [0,1,0,0,1,0|1,0,0]=3 166 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 CS11340 [0,1,0,0,1,0|0,0,0]=2 167 B12R1.308 CCOC(=O)C1=C(N)N=CC=C1 CS13612 [0,1,0,0,1,0|1,0,0]=3 168 B12R1.308 CCOC(=O)C1=C(O)C=NC=C1 MC100279 [0,1,0,0,1,0|1,0,0]=3 169 B12R1.308 CCOC(=O)C1=CC=CC=C1O MC34575 [0,1,0,0,1,0|0,0,0]=2 170 B12R1.308 CCOC(=O)C1=CN=CC=C1Cl CS18275 [0,1,0,0,1,0|1,0,0]=3 171 B12R1.308 CCOC(=O)C1=CN=CN=C1Cl CS18296 [0,1,0,0,1,0|2,0,0]=4 172 B12R1.308 CCOC(=O)C1=CN=CN=C1N MC444489 [0,1,0,0,1,0|2,0,0]=4 173 B12R1.308 CCOC(=O)C1=CN=CN=C1O CS18328 [0,1,0,0,1,0|2,0,0]=4 174 B12R1.308 CCOC(=O)C1=CN=CNC1=O CS17889 [0,1,0,0,1,0|2,0,0]=4 175 B12R1.308 CCOC(=O)C1=CN=NC=C1C MC104021 [0,1,0,0,1,0|2,0,0]=4 176 B12R1.308 CCOC(=O)C1=NC=CC=C1F MC432518 [0,1,0,0,1,0|1,0,0]=3 177 B12R1.308 CCOC(=O)C1=NC=CC=C1N CS22110 [0,1,0,0,1,0|1,0,0]=3 178 B12R1.308 CCOC(=O)C1=NC=CN=C1Cl MC444493 [0,1,0,0,1,0|2,0,0]=4 179 B12R1.308 CCOC(=O)C1=NC=NC=C1Br CS13681 [0,1,0,0,1,0|2,0,0]=4 180 B12R1.308 O=C(CCCl)C1=C(Cl)C=CC=C1 MC429389 [0,1,0,0,1,0|2,0,0]=4 181 B12R1.31 CCOC(=O)CC1=CN(C)C=N1 CS17858 [0,1,0,0,1,0|2,0,0]=4 182 B12R1.31 CCOC(=O)CC1=CSC(Br)=N1 MC106902 [0,1,0,0,1,0|2,0,0]=4 183 B12R1.318 CCOC(=O)CN1C=CN=C1C MC425787 [0,1,0,0,1,0|2,0,0]=4 184 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 CS11380 [0,1,0,0,0,1|0,0,0]=2 185 B14R1.29 CCOC(=O)CC(=O)C1=CC=NC=C1 CS10017 [0,1,0,0,0,1|1,0,0]=3 186 B14R1.32 CCOC(=O)\C=C\C1=NC=CC(F)=C1 MC430430 [0,1,0,0,0,1|1,0,1]=4 187 B14R1.60 CCOC(=O)C(N)Cc1ccccc1 MC438087 [0,1,0,0,0,1|0,0,0]=2 188 B14R1.156 NCCCC(=O)OCc1ccccc1 MC436009 [0,1,0,0,0,1|1,0,0]=3 189 B14R1.156 NCCNC(=O)NCC1=CC=CC=C1 MC112506 [0,1,0,0,0,1|1,0,0]=3 190 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 CS11001 [0,1,0,0,0,1|1,0,0]=3 191 B14R1.156 NCCNC(=O)OCc1ccccc1 MC438390 [0,1,0,0,0,1|1,0,0]=3 192 B14R1.156 O=C(NCCBr)OCC1=CC=CC=C1 CS13478 [0,1,0,0,0,1|1,0,0]=3 193 B14R1.156 O=C(NCCO)OCC1=CC=CC=C1 CS11002 [0,1,0,0,0,1|1,0,0]=3 194 B14R1.156 O=C(\C=C\C1=CC=CC=C1)NCCO MC445457 [0,1,0,0,0,1|1,0,1]=4 195 B14R1.502 CCOC(=O)C#Cc1ccc(Cl)cc1 MC434037 [0,1,0,0,0,1|0,0,1]=3 196 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 CS12527 [0,1,0,0,0,1|0,0,0]=2 197 B14R1.502 CCOC(=O)CCC1=CC=C(F)C=C1 MC40041 [0,1,0,0,0,1|0,0,0]=2 198 B14R1.502 CCOC(=O)CCC1=CC=C(N)C=C1 MC442444 [0,1,0,0,0,1|0,0,0]=2 199 B14R1.502 CCOC(=O)CCC1=CC=C(N)N=C1 MC429710 [0,1,0,0,0,1|1,0,0]=3 200 B14R1.502 CCOC(=O)CSC1=CC=C(O)C=C1 MC120175 [0,1,0,0,0,1|0,0,0]=2 201 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Br)N=C1 MC103307 [0,1,0,0,0,1|1,0,1]=4 202 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Cl)C=C1 MC433908 [0,1,0,0,0,1|0,0,1]=3 203 B14R1.502 CCOC(=O)\C=C\C1=CC=C(O)C=C1 MC431718 [0,1,0,0,0,1|0,0,1]=3 204 B14R1.598 CCOC(=O)COC1=C(O)C=CC=C1 MC443167 [0,1,0,0,0,1|0,0,0]=2 205 B14R1.598 CCOC(=O)COC1=CC=CN=C1Br MC33500 [0,1,0,0,0,1|1,0,0]=3 206 B14R1.598 CCOC(=O)COC1=NC=CC=C1O MC443819 [0,1,0,0,0,1|1,0,0]=3 207 B14R1.756 C(N)(CO)C(=O)OCC1=CC=CC=C1 MC438162 [0,1,0,0,0,1|2,0,0]=4 208 B14R1.756 NC(CO)C(=O)OCc1ccccc1 CS13835 [0,1,0,0,0,1|2,0,0]=4 209 B14R1.756 NC(CO)C(=O)OCc1ccccc1 MC438161 [0,1,0,0,0,1|2,0,0]=4 210 B14R1.35 C=C(C(=O)OCC)C1=CC=C(Br)C=C1 CS16512 [0,2,0,0,0,0|0,0,1]=3 211 B14R1.35 CCOC(=O)C(=O)C1=CC=C(Br)C=C1 MC425584 [0,2,0,0,0,0|0,0,1]=3 212 B14R1.35 CCOC(=O)C(=O)C1=CC=C(Cl)C=C1 CS10064 [0,2,0,0,0,0|0,0,1]=3 213 B14R1.35 CCOC(=O)C(Br)C1=CC=C(Br)C=C1 MC40032 [0,2,0,0,0,0|0,0,0]=2 214 B14R1.35 CCOC(=O)C(Br)c1ccc(Cl)cc1 MC40029 [0,2,0,0,0,0|0,0,0]=2 215 B14R1.35 CCOC(=O)C(O)C1=CC=C(F)C=C1 MC425015 [0,2,0,0,0,0|0,0,0]=2 216 B14R1.954 CCOC(=O)CC1=CC=C(C#N)C=C1 MC40036 [0,2,0,0,0,0|0,0,0]=2 217 B14R1.954 CCOC(=O)CC1=CC=C(C=O)C=C1 MC427378 [0,2,0,0,0,0|0,0,0]=2 218 B14R1.954 CCOC(=O)Cc1ccc(CN)cc1 MC121103 [0,2,0,0,0,0|0,0,0]=2 219 B14R1.967 CCOC(=O)CC1=CC(C)=C(F)C=C1 MC432613 [0,2,0,0,0,0|0,0,0]=2 220 B14R1.967 CCOC(=O)CC1=CC(F)=C(Cl)C=C1 MC433939 [0,2,0,0,0,0|0,0,0]=2 221 B14R1.967 CCOC(=O)CC1=CC=C(Br)C(Br)=N1 MC109104 [0,2,0,0,0,0|1,0,0]=3 222 B14R1.967 CCOC(=O)CC1=CN=C(Br)C(Br)=C1 MC109103 [0,2,0,0,0,0|1,0,0]=3 223 B14R1.6823 CCOC(=O)CC1=C(Cl)C=C(N)C=C1 MC111289 [0,2,0,0,0,0|0,0,0]=2 224 B14R1.6823 CCOC(=O)CC1=C(F)C=C(Cl)C=C1 MC433938 [0,2,0,0,0,0|0,0,0]=2 225 B14R1.6823 CCOC(=O)CC1=CC=C(Br)N=C1Br MC109107 [0,2,0,0,0,0|1,0,0]=3 226 B14R1.6823 CCOC(=O)CC1=NC=C(Br)C=C1Br MC109109 [0,2,0,0,0,0|1,0,0]=3 227 B14R1.17 CCOC(=O)CC1=C(Br)C(Br)=NC=C1 MC109102 [0,2,0,0,0,0|1,0,0]=3 228 B14R1.17 CCOC(=O)CC1=C(Br)C(Cl)=NC=C1 MC108005 [0,2,0,0,0,0|1,0,0]=3 229 B14R1.17 CCOC(=O)CC1=C(C)C(Cl)=NC=C1 MC431726 [0,2,0,0,0,0|1,0,0]=3 230 B14R1.17 CCOC(=O)CN1C=CN=C(O)C1=O MC100189 [0,2,0,0,0,0|2,0,0]=4 231 B14R1.950 CCOC(=O)CC1=C(C)C=CC(=O)N1 MC111286 [0,2,0,0,0,0|1,0,0]=3 232 B14R1.950 CCOC(=O)CC1=CC(Br)=CN=C1Br MC109105 [0,2,0,0,0,0|1,0,0]=3 233 B14R1.950 CCOC(=O)CC1=CC(Br)=NC=C1Br MC109106 [0,2,0,0,0,0|1,0,0]=3 234 B14R1.950 CCOC(=O)CC1=CC(Br)=NC=C1Cl MC108004 [0,2,0,0,0,0|1,0,0]=3 235 B14R1.950 CCOC(=O)CC1=NC(Br)=CC=C1Br MC109111 [0,2,0,0,0,0|1,0,0]=3 236 B14R1.950 CCOC(=O)NC1=NC(F)=CC=C1I MC106851 [0,2,0,0,0,0|2,0,0]=4 237 B14R1.952 CCOC(=O)CC1=CC(Br)=NC(Br)=C1 MC109108 [0,2,0,0,0,0|1,0,0]=3 238 B14R1.952 CCOC(=O)CC1=NC(Cl)=CC(Cl)=N1 CS14602 [0,2,0,0,0,0|2,0,0]=4 239 B14R1.962 CCOC(=O)CC1=CC(C#N)=CC=C1 MC429966 [0,2,0,0,0,0|0,0,0]=2 240 B14R1.962 CCOC(=O)CC1=NC(NC)=CC=C1 MC33502 [0,2,0,0,0,0|1,0,0]=3 241 B14R1.423 O=C(O)CNC(=O)Cc1ccccc1 MC438092 [0,2,0,0,0,0|1,0,1]=4 242 B14R1.510 CCOC(=O)C(F)(F)C1=CC=CC=C1 MC430943 [0,2,0,0,0,0|0,0,0]=2 243 B14R1.604 CCOC(=O)C(C#N)C1=NC=CC=N1 CS14893 [0,2,0,0,0,0|2,0,0]=4 244 B14R1.433 CC(C)(C)OC(=O)NC1=CC=CN=C1 MC427427 [0,2,0,0,0,0|2,0,0]=4 245 B14R1.433 CC(C)(C)OC(=O)NC1=CC=NC=C1 CS22473 [0,2,0,0,0,0|2,0,0]=4 246 B14R1.433 CC(C)(C)OC(=O)NC1=NC=CC=C1 MC442214 [0,2,0,0,0,0|2,0,0]=4 247 B14R1.965 CCOC(=O)CC1=C(C#N)C=CC=C1 CS16542 [0,2,0,0,0,0|0,0,0]=2 248 B14R1.19171 CCOC(=O)CC1=C(Br)C=NC=C1Br MC109110 [0,2,0,0,0,0|1,0,0]=3 249 B14R1.19171 CCOC(=O)CC1=C(Cl)C=CC=C1F MC40034 [0,2,0,0,0,0|0,0,0]=2 250 B14R1.19171 CCOC(=O)CC1=C(F)C=CC=C1F CS16360 [0,2,0,0,0,0|0,0,0]=2 251 B12R2.2 C1=CC=C(C2CCCN2)C=C1 CS11140 [1,0,0,1,0,0|2,0,0]=4 252 B12R2.2 C1=CC=C(C2CCCN2)C=C1 CS17953 [1,0,0,1,0,0|2,0,0]=4 253 B12R2.2 C1=CC=C(C2CCCN2)C=C1 MC105777 [1,0,0,1,0,0|2,0,0]=4 254 B12R2.2 C1=CC=C(C2CCNC2)C=C1 MC106676 [1,0,0,1,0,0|1,0,1]=4 255 B12R2.41 C1=CC2=C(C=C1)CCNCC2 MC434053 [1,0,0,1,0,0|1,0,1]=4 256 B12R2.41 C1=CC2=C(C=C1)CNCCC2 CS12567 [1,0,0,1,0,0|2,0,0]=4 257 B12R2.1081 CC1CNCC2=CC=CC=C21 CS17240 [1,0,0,1,0,0|2,0,0]=4 258 B12R2.1081 CC1NCCC2=CC=CC=C21 CS12178 [1,0,0,1,0,0|1,0,1]=4 259 B12R2.1081 CC1NCCC2=CC=CC=C21 CS15270 [1,0,0,1,0,0|1,0,1]=4 260 B12R2.18 CN1C(=O)OC2=C1C=CC=C2 MC10211 [1,0,0,1,0,0|2,0,0]=4 261 B12R2.24 CN1CCC2=CC=CC=C2C1 CS16157 [1,0,0,1,0,0|2,0,0]=4 262 B12R2.24 NC1CCC2=CC=CC=C2C1 CS18799 [1,0,0,1,0,0|1,0,1]=4 263 B12R2.24 NC1CCC2=CC=CC=C2C1 MC106682 [1,0,0,1,0,0|1,0,1]=4 264 B12R2.24 NC1CCC2=CC=CC=C2C1 MC106683 [1,0,0,1,0,0|1,0,1]=4 265 B12R2.24 NN1CCC2=CC=CC=C2C1 MC442441 [1,0,0,1,0,0|2,0,0]=4 266 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 MC440135 [1,0,0,1,0,0|0,0,0]=2 267 B12R2.24 O=C1CCC2=CC=CC=C2N1 CS11038 [1,0,0,1,0,0|1,0,0]=3 268 B12R2.24 O=C1CCC2=CC=CN=C2N1 MC113033 [1,0,0,1,0,0|2,0,0]=4 269 B12R2.24 O=C1CCC2=CN=CC=C2N1 MC105357 [1,0,0,1,0,0|2,0,0]=4 270 B12R2.24 O=C1CCc2ccccc2O1 MC41795 [1,0,0,1,0,0|1,0,0]=3 271 B12R2.24 O=C1COC2=C(C=CC=C2)N1 CS21568 [1,0,0,1,0,0|2,0,0]=4 272 B12R2.24 O=C1CSC2=CC=CC=C2C1 MC107174 [1,0,0,1,0,0|1,0,0]=3 273 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 CS18815 [1,0,0,1,0,0|2,0,0]=4 274 B12R2.2028 O=C1CC(Br)C2=CC=CC=C12 CS22129 [0,0,0,1,1,0|2,0,0]=4 275 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 MC41809 [0,0,0,1,1,0|1,0,1]=4 276 B12R2.2028 O=C1O[IH2](O)C2=C1C=CC=C2 MC20691 [0,0,0,1,1,0|2,0,0]=4 277 B14R2.21 O=C1CC(C2=CC=CC=C2)CCN1 CS15109 [0,0,0,1,0,1|1,0,0]=3 278 B14R2.21 O=C1CCCC(C2=CC=CC=C2)N1 MC116196 [0,0,0,1,0,1|1,0,0]=3 279 B14R2.21 O=C1CCCC(C2=CC=NC=C2)C1 MC106126 [0,0,0,1,0,1|2,0,0]=4 280 B14R2.21 O=C1CCNC(C2=CC=CC=C2)C1 MC106734 [0,0,0,1,0,1|2,0,0]=4 281 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 CS21738 [0,0,0,1,0,1|2,0,0]=4 282 B14R2.598 O=C1CC(C2=CC=CC=C2)C(=O)O1 MC440514 [0,0,0,1,0,1|1,0,1]=4 283 B14R2.2899 O=C(OCC1=CC=CC=C1)N2CC2 MC430585 [0,0,0,1,0,1|1,0,0]=3 284 B14R2.926 O=C1CCCN1C2=CC=C(F)C=C2 CS20420 [0,1,0,1,0,0|2,0,0]=4 285 B14R2.949 O=C(NC1=CC=C(S)C=C1)C2CC2 MC110874 [0,1,0,1,0,0|2,0,0]=4 286 B14R2.6 C1=CC=C(CC2CNCCO2)C=C1 MC20836 [0,1,0,1,0,0|1,0,1]=4 287 B14R2.6 C1=CC=C(CC2CNCCO2)C=C1 MC20837 [0,1,0,1,0,0|1,0,1]=4 288 B14R2.6 C1=CC=C(CC2CNCCO2)C=C1 MC431313 [0,1,0,1,0,0|1,0,1]=4 289 B14R2.6 C1=CC=C(CC2CNCCO2)C=C1 MC431427 [0,1,0,1,0,0|1,0,1]=4 290 B14R2.24 O=C1NCCNC1C2=CC=CC=C2 MC104289 [0,1,0,1,0,0|1,0,0]=3 291 B14R2.24 O=C1NCCNC1C2=CC=CC=C2 MC105374 [0,1,0,1,0,0|1,0,0]=3 292 B14R2.24 O=C1NCCNC1C2=CC=CC=C2 MC442763 [0,1,0,1,0,0|1,0,0]=3 293 B14R2.741 O=C1NC2=C(C=CC=C2)CCC1Br CS10004 [0,1,0,1,0,0|2,0,0]=4 294 B14R2.4621 O=C(Cc1ccccc1F)C2CC2 CS18750 [0,1,0,1,0,0|1,0,0]=3 295 B10R1.15 C=C(CBr)C1=CC=CC=C1 CS20091 [1,0,0,0,1,0|2,0,0]=4 296 B10R1.15 CCC(C)C1=CC=CC=C1 CS11947 [1,0,0,0,1,0|1,0,1]=4 297 B10R1.15 CCC(C)C1=CC=CC=C1 MC433489 [1,0,0,0,1,0|1,0,1]=4 298 B10R1.15 CCC(N)C1=CC=CC=C1 MC20337 [1,0,0,0,1,0|1,0,1]=4 299 B10R1.15 COC(=N)C1=NC=CC=C1 MC106728 [1,0,0,0,1,0|2,0,0]=4 300 B10R1.15 COC(=O)C1=CC=CC=C1 MC40065 [1,0,0,0,1,0|0,0,0]=2 301 B10R1.15 COC(=O)C1=CC=CN=N1 MC444561 [1,0,0,0,1,0|2,0,0]=4 302 B10R1.15 COC(=O)C1=CC=NC=C1 CS18945 [1,0,0,0,1,0|1,0,0]=3 303 B10R1.15 COC(=O)C1=CN=CC=C1 CS19425 [1,0,0,0,1,0|1,0,0]=3 304 B10R1.15 COC(=O)C1=CN=CN=C1 MC444563 [1,0,0,0,1,0|2,0,0]=4 305 B10R1.15 COC(=O)C1=CN=NC=C1 CS13474 [1,0,0,0,1,0|2,0,0]=4 306 B10R1.15 COC(=O)C1=NC=CC=C1 CS19684 [1,0,0,0,1,0|1,0,0]=3 307 B10R1.15 COC(=O)C1=NC=CC=N1 CS19792 [1,0,0,0,1,0|2,0,0]=4 308 B10R1.15 COC(=O)C1=NC=NC=C1 MC444562 [1,0,0,0,1,0|2,0,0]=4 309 B10R1.15 NCC(=O)C1=CC=CC=C1 CS10874 [1,0,0,0,1,0|1,0,0]=3 310 B10R1.15 NCC(=O)C1=NC=CC=C1 MC33498 [1,0,0,0,1,0|2,0,0]=4 311 B10R1.15 NNC(=O)C1=CC=CC=C1 CS10971 [1,0,0,0,1,0|2,0,0]=4 312 B10R1.15 O=C(CBr)C1=CC=CC=C1 CS19274 [1,0,0,0,1,0|1,0,0]=3 313 B10R1.15 O=C(CBr)C1=CC=CN=C1 MC42216 [1,0,0,0,1,0|2,0,0]=4 314 B10R1.15 O=C(CBr)C1=CC=NC=C1 CS20175 [1,0,0,0,1,0|2,0,0]=4 315 B10R1.15 O=C(CCl)C1=CC=CC=C1 MC20159 [1,0,0,0,1,0|1,0,0]=3 316 B10R1.15 O=C(CI)C1=CC=CC=C1 MC433244 [1,0,0,0,1,0|1,0,0]=3 317 B10R1.27 COC(=O)CC1=CNC=N1 MC431278 [1,0,0,0,1,0|2,0,0]=4 318 B10R1.11 CCOC(=O)C1=CC=CN1 CS10538 [0,0,0,0,2,0|1,0,0]=3 319 B10R1.11 CCOC(=O)C1=CC=CO1 MC10319 [0,0,0,0,2,0|1,0,0]=3 320 B10R1.11 CCOC(=O)C1=CC=CS1 CS14077 [0,0,0,0,2,0|1,0,0]=3 321 B10R1.11 CCOC(=O)C1=CN=CO1 CS17742 [0,0,0,0,2,0|2,0,0]=4 322 B10R1.11 CCOC(=O)C1=CN=CS1 CS11320 [0,0,0,0,2,0|2,0,0]=4 323 B10R1.11 CCOC(=O)C1=CNC=C1 MC115913 [0,0,0,0,2,0|1,0,0]=3 324 B10R1.11 CCOC(=O)C1=CNC=N1 CS18895 [0,0,0,0,2,0|2,0,0]=4 325 B10R1.11 CCOC(=O)C1=CNN=C1 CS10111 [0,0,0,0,2,0|2,0,0]=4 326 B10R1.11 CCOC(=O)C1=COC=N1 CS18179 [0,0,0,0,2,0|2,0,0]=4 327 B10R1.11 CCOC(=O)C1=CSC=C1 CS10526 [0,0,0,0,2,0|1,0,0]=3 328 B10R1.11 CCOC(=O)C1=NC=CN1 CS18245 [0,0,0,0,2,0|2,0,0]=4 329 B10R1.11 CCOC(=O)C1=NNC=C1 CS20723 [0,0,0,0,2,0|2,0,0]=4 330 B14R1.520 CCOC(=O)CCNC1=NC=CC=C1 CS11737 [0,0,0,0,0,2|1,0,0]=3 331 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 CS15465 [0,0,0,0,0,2|0,0,0]=2 332 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 MC103279 [0,0,0,0,0,2|0,0,0]=2 333 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 CS16805 [0,0,0,0,0,2|0,0,0]=2