0 B12R1.27 COC(=O)CCC1=CC=CC=C1 HY-W007828 [0,0,0,0,0,0|0,0,2]=2 1 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 HY-W017212 [0,0,0,0,0,0|0,0,0]=0 2 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 HY-W067056 [0,0,0,0,0,0|0,0,0]=0 3 B12R1.27 NCC(=O)OCC1=CC=CC=C1 HY-W005117 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.91 CC(=O)CCC1=CC=CC=C1 HY-W015616 [1,0,0,0,0,0|0,0,2]=3 5 B11R1.91 CC(=O)COC1=CC=CC=C1 HY-116792 [1,0,0,0,0,0|1,0,1]=3 6 B11R1.91 CC(=O)NCC1=CC=CC=C1 HY-W052051 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.91 CC(=O)NNC1=CC=CC=C1 HY-W017425 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 HY-W012595A [1,0,0,0,0,0|0,0,0]=1 9 B11R1.91 N=C(O)NCC1=CC=CC=C1 HY-W010253 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.91 NC(=O)NNC1=CC=CC=C1 HY-W280349 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 HY-W017495 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 HY-W067479 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.91 O=C(O)C#CC1=CC=CC=C1 HY-W007319 [1,0,0,0,0,0|0,0,2]=3 14 B11R1.91 O=C(O)CCC1=CC=CC=C1 HY-Y1088 [1,0,0,0,0,0|0,0,2]=3 15 B11R1.91 O=C(O)COC1=CC=CC=C1 HY-Y0267 [1,0,0,0,0,0|1,0,1]=3 16 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 HY-N0610 [1,0,0,0,0,0|0,0,0]=1 17 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 HY-N0610A [1,0,0,0,0,0|0,0,0]=1 18 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 HY-N0610R [1,0,0,0,0,0|0,0,0]=1 19 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 HY-W017463 [1,0,0,0,0,0|1,0,0]=2 20 B13R1.11 CCC(=O)OC(C)C1=CC=CC=C1 HY-W016598 [0,1,0,0,0,0|2,0,1]=4 21 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 HY-N1434 [0,1,0,0,0,0|0,0,0]=1 22 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 HY-N2492 [0,1,0,0,0,0|0,0,0]=1 23 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 HY-N2492R [0,1,0,0,0,0|0,0,0]=1 24 B13R1.14 O=C(COC1=CC=C(Cl)C=C1)O[Na] HY-19698A [0,1,0,0,0,0|2,0,1]=4 25 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 HY-W236273 [0,1,0,0,0,0|0,0,0]=1 26 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 HY-Y0121 [0,1,0,0,0,0|0,0,0]=1 27 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 HY-B1185 [0,1,0,0,0,0|2,0,1]=4 28 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 HY-W042002 [0,1,0,0,0,0|0,0,2]=3 29 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 HY-Y1394 [0,1,0,0,0,0|0,0,2]=3 30 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 HY-I0924A [0,1,0,0,0,0|0,0,2]=3 31 B13R1.351 CC(O)C(=O)OCC1=CC=CC=C1 HY-W016484 [0,1,0,0,0,0|2,0,1]=4 32 B13R2.10 NC1=NNC(C2=CC=CC=C2)=C1 HY-W041232 [0,0,0,1,0,0|3,0,0]=4 33 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 HY-W010144 [0,0,0,1,0,0|3,0,0]=4 34 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 HY-W019727 [0,0,0,1,0,0|1,0,1]=3 35 B13R2.32 OC1=CC=C2C=CC=CC2=C1O HY-128105 [0,0,0,1,0,0|2,0,1]=4 36 B13R2.57 C=CC1=CC2=CC=CC=C2C=C1 HY-W015553 [0,0,0,1,0,0|2,0,1]=4 37 B13R2.57 COC1=CC2=C(C=CC=C2)C=C1 HY-W010179 [0,0,0,1,0,0|1,0,0]=2 38 B13R2.57 COC1=CC=C2N=CC=CC2=C1 HY-W017232 [0,0,0,1,0,0|2,0,0]=3 39 B13R2.57 O=CC1=CC2=C(C=CC=C2)C=C1 HY-Y0075 [0,0,0,1,0,0|3,0,0]=4 40 B13R2.57 O=CC1=NC2=CC=CC=C2C=C1 HY-W008168 [0,0,0,1,0,0|3,0,0]=4 41 B13R2.57 OCC1=CC2=C(C=CC=C2)C=C1 HY-W001953 [0,0,0,1,0,0|3,0,0]=4 42 B11R1.40 C=CC(=O)NC1=CC=CC=C1 HY-W018582 [0,0,0,0,1,0|2,0,1]=4 43 B11R1.40 O=C(CBr)OC1=CC=CC=C1 HY-41413 [0,0,0,0,1,0|3,0,0]=4 44 B13R1.718 O=C(CCCC1=CC=CC=C1)O[Na] HY-15654 [0,0,0,0,0,1|1,0,2]=4 45 B10R1.17 O=C\C=C\C1=CC=CC=C1 HY-W019711 [2,0,0,0,0,0|0,0,0]=2 46 B10R1.17 OC\C=C\C1=CC=CC=C1 HY-N1867 [2,0,0,0,0,0|0,0,1]=3 47 B10R1.17 OC\C=C\C1=CC=CC=C1 HY-Y0078 [2,0,0,0,0,0|0,0,1]=3 48 B12R1.21 C(C(=O)O)=CC1=CC=C(C)C=C1 HY-W015399 [1,1,0,0,0,0|0,0,0]=2 49 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 HY-N1426R [1,1,0,0,0,0|0,0,2]=4 50 B12R1.21 CC(=O)O[Hg]C1=CC=C(N)C=C1 HY-148905 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 HY-W028185 [1,1,0,0,0,0|0,0,2]=4 52 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 HY-W015346 [1,1,0,0,0,0|0,0,2]=4 53 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 HY-W141885 [1,1,0,0,0,0|1,0,1]=4 54 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 HY-19698 [1,1,0,0,0,0|1,0,1]=4 55 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 HY-W052234 [1,1,0,0,0,0|1,0,1]=4 56 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 HY-Y0729 [1,1,0,0,0,0|0,0,0]=2 57 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 HY-N0351 [1,1,0,0,0,0|0,0,0]=2 58 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 HY-N0351R [1,1,0,0,0,0|0,0,0]=2 59 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 HY-N2391 [1,1,0,0,0,0|0,0,0]=2 60 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O HY-B1732 [1,1,0,0,0,0|0,0,2]=4 61 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O HY-B1732R [1,1,0,0,0,0|0,0,2]=4 62 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O HY-N0215 [1,1,0,0,0,0|0,0,2]=4 63 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O HY-N0215R [1,1,0,0,0,0|0,0,2]=4 64 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O HY-Y0079 [1,1,0,0,0,0|0,0,2]=4 65 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 HY-W012530 [1,1,0,0,0,0|0,0,1]=3 66 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 HY-W012530R [1,1,0,0,0,0|0,0,1]=3 67 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 HY-W017162 [1,1,0,0,0,0|0,0,2]=4 68 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 HY-W017162R [1,1,0,0,0,0|0,0,2]=4 69 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 HY-30219 [1,1,0,0,0,0|0,0,2]=4 70 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(=O)O HY-N0215S5 [1,1,0,0,0,0|0,0,2]=4 71 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 HY-W013607 [1,1,0,0,0,0|0,0,1]=3 72 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 HY-W017189 [1,1,0,0,0,0|0,0,2]=4 73 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 HY-W002039 [1,1,0,0,0,0|0,0,2]=4 74 B12R1.125 O=C(O)CCC1=CC=CC=C1O HY-W017158 [1,1,0,0,0,0|0,0,2]=4 75 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl HY-W016366 [1,1,0,0,0,0|0,0,0]=2 76 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O HY-W012531 [1,1,0,0,0,0|0,0,0]=2 77 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O HY-W012531R [1,1,0,0,0,0|0,0,0]=2 78 B12R1.226 C(C(=O)O)=CC1=CC(O)=CC=C1 HY-N7127 [1,1,0,0,0,0|0,0,0]=2 79 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 HY-W005255 [1,1,0,0,0,0|0,0,2]=4 80 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 HY-113357 [1,1,0,0,0,0|0,0,0]=2 81 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 HY-113357R [1,1,0,0,0,0|0,0,0]=2 82 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 HY-W019714 [0,1,0,0,1,0|0,0,1]=3 83 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 HY-W014824 [0,1,0,0,1,0|0,0,1]=3 84 B12R1.34 O=C(O[Na])C(=O)C1=CC=CC=C1 HY-W010255A [0,1,0,0,1,0|1,0,0]=3 85 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 HY-135326 [0,1,0,0,1,0|2,0,0]=4 86 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 HY-W001084 [0,1,0,0,1,0|0,0,1]=3 87 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 HY-W001084R [0,1,0,0,1,0|0,0,1]=3 88 B14R1.163 O=C(CNC(=O)C1=CC=CC=C1)O[Na] HY-W014841 [0,1,0,0,0,1|1,0,1]=4 89 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 HY-76448 [0,1,0,0,0,1|0,0,2]=4 90 B14R1.134 COC(=O)C(N)CC1=CC=C(Cl)C=C1 HY-101456 [0,2,0,0,0,0|0,0,2]=4 91 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 HY-W007671 [0,2,0,0,0,0|0,0,2]=4 92 B14R1.134 [C@@H](N)(CC1=CC=C(Cl)C=C1)C(=O)OC HY-W011931 [0,2,0,0,0,0|0,0,2]=4 93 B14R1.134 [C@H](N)(CC1=CC=C(O)C=C1)C(=O)OC HY-W012228 [0,2,0,0,0,0|0,0,2]=4 94 B14R1.727 COC(=O)COC1=CC=C(Cl)C=C1Cl HY-B0868 [0,2,0,0,0,0|1,0,1]=4 95 B14R1.833 COC(=O)\C=C\C1=CC=C(O)C(O)=C1 HY-N6005 [0,2,0,0,0,0|0,0,0]=2 96 B14R1.32 CCNC(=O)\C=C\C1=CC=CC(Br)=C1 HY-B1274 [0,2,0,0,0,0|1,0,0]=3 97 B14R1.135 COC(=O)[C@@H](N)CC1=CC=CC(O)=C1 HY-W040441 [0,2,0,0,0,0|0,0,2]=4 98 B14R1.820 COC(=O)\C=C\C1=CC(O)=CC=C1O HY-101006 [0,2,0,0,0,0|0,0,0]=2 99 B14R1.60 CCOC(=O)C(=O)NC1=NC=CC=C1 HY-Z4758 [0,2,0,0,0,0|2,0,0]=4 100 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 HY-W012255 [0,2,0,0,0,0|0,0,2]=4 101 B12R1.77 CNC1=CC=CC=C1C(=O)OC HY-76705 [0,0,1,1,0,0|1,0,1]=4 102 B12R1.71 COC1=CC=C(\C=C\C=O)C=C1 HY-W013605A [0,0,1,1,0,0|2,0,0]=4 103 B12R1.354 COC(=O)C1=C(C)C=CC(Br)=C1 HY-W007619 [0,0,1,1,0,0|1,0,1]=4 104 B12R1.354 COC(=O)C1=C(N)C=CC(Br)=C1 HY-W007390 [0,0,1,1,0,0|2,0,0]=4 105 B12R1.354 COC(=O)C1=C(N)C=CC(Cl)=C1 HY-W008008 [0,0,1,1,0,0|2,0,0]=4 106 B12R1.354 COC(=O)C1=C(O)C=CC(O)=C1 HY-W012518 [0,0,1,1,0,0|2,0,0]=4 107 B12R2.2 C1=CC=C(C2=NNC=C2)C=C1 HY-W002461 [1,0,0,1,0,0|2,0,0]=4 108 B12R2.1081 BrC1=C2C=CC=CC2=CC=C1 HY-Y1119 [1,0,0,1,0,0|2,0,0]=4 109 B12R2.1081 FC1=C2C=CC=CC2=CC=C1 HY-32126 [1,0,0,1,0,0|2,0,0]=4 110 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 HY-Y1309 [1,0,0,1,0,0|2,0,0]=4 111 B12R2.24 ClC1=CC=C2C=CC=CC2=C1 HY-124451 [1,0,0,1,0,0|1,0,1]=4 112 B12R2.24 NC1=NC2=CC=CC=C2C=C1 HY-W007524 [1,0,0,1,0,0|2,0,0]=4 113 B12R2.24 O=C1C=CC2=CC=CC=C2O1 HY-N0709 [1,0,0,1,0,0|0,0,0]=2 114 B12R2.24 O=C1C=NC2=CC=CC=C2N1 HY-W017519 [1,0,0,1,0,0|2,0,0]=4 115 B12R2.24 O=C1CCC2=CC=CC=C2O1 HY-N1926 [1,0,0,1,0,0|0,0,2]=4 116 B12R2.24 OC1=CC=C2C=CC=CC2=C1 HY-Y0110 [1,0,0,1,0,0|1,0,0]=3 117 B12R2.44 COC1=CC=C2NC=CC2=C1 HY-W007328 [0,0,0,1,1,0|2,0,0]=4 118 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 HY-41882 [0,0,0,1,0,1|0,0,2]=4 119 B14R2.95 COC(=O)C1=CNC2=CC=CC=C21 HY-79635 [0,0,0,1,0,1|0,0,0]=2 120 B14R2.95 O=C(CCl)C1=CNC2=CC=CC=C21 HY-16666 [0,0,0,1,0,1|2,0,0]=4 121 B14R2.7724 CN1C(=O)OC(=O)C2=C1C=CC=C2 HY-18407 [0,1,0,1,0,0|2,0,0]=4 122 B14R2.134 COC1=CC=C2C=CC(=O)OC2=C1 HY-N1366 [0,1,0,1,0,0|2,0,0]=4 123 B14R2.2332 COC1=CC2=CC=C(Br)C=C2C=C1 HY-Y0038 [0,1,0,1,0,0|1,0,0]=3 124 B14R2.781 CC(=O)C1=CC=C2C=CC=CC2=C1 HY-Y1819 [0,1,0,1,0,0|2,0,0]=4 125 B14R2.781 CC(C)C1=CC2=CC=CC=C2C=C1 HY-W150166 [0,1,0,1,0,0|2,0,0]=4 126 B10R1.18 CC(=O)NC1=CC=CC=N1 HY-W101320 [1,0,0,0,1,0|2,0,0]=4 127 B10R1.18 CC(=O)OC1=CC=CC=C1 HY-128733 [1,0,0,0,1,0|1,0,0]=3 128 B10R1.18 CC(=O)OC1=CC=CC=C1 HY-128733R [1,0,0,0,1,0|1,0,0]=3 129 B10R1.18 CC(=S)NC1=CC=CC=C1 HY-129756 [1,0,0,0,1,0|1,1,0]=4 130 B10R1.18 NC(=O)CC1=CC=CC=C1 HY-W018197 [1,0,0,0,1,0|1,0,1]=4 131 B10R1.18 NC(=O)NC1=CC=CC=C1 HY-W017044 [1,0,0,0,1,0|2,0,0]=4 132 B10R1.18 O=C(O)CC1=CC=CC=N1 HY-W016825 [1,0,0,0,1,0|1,0,1]=4 133 B10R1.18 O=C(O)CC1=CC=CN=C1 HY-W004515 [1,0,0,0,1,0|1,0,1]=4 134 B10R1.18 O=C(O)CC1=CN=CC=C1 HY-W015806 [1,0,0,0,1,0|1,0,1]=4 135 B10R1.66 O=C(O)\C=C\C1=CN=CN1 HY-113008 [1,0,0,0,1,0|2,0,0]=4 136 B10R1.66 O=C(O)\C=C\C1=CN=CN1 HY-113008B [1,0,0,0,1,0|2,0,0]=4 137 B10R1.66 O=C(O)\C=C\C1=CSC=C1 HY-124251 [1,0,0,0,1,0|1,0,0]=3 138 B10R1.15 CNC(=O)C1=CC=CC=C1 HY-135848 [0,0,0,0,2,0|1,0,0]=3 139 B10R1.15 CNC(=O)C1=CC=CC=C1 HY-KE7004 [0,0,0,0,2,0|1,0,0]=3 140 B10R1.15 CNC(=O)C1=CC=CN=C1 HY-124124 [0,0,0,0,2,0|2,0,0]=4 141 B10R1.15 COC(=O)C1=CC=CC=N1 HY-W005458 [0,0,0,0,2,0|1,0,0]=3 142 B10R1.15 COC(=O)C1=NC=CC=N1 HY-78337 [0,0,0,0,2,0|2,0,0]=4 143 B10R1.15 O=C(NO)C1=CC=CC=C1 HY-Y1058 [0,0,0,0,2,0|2,0,0]=4 144 B10R1.15 O=C(O[K])C1=CC=CC=C1 HY-W103932 [0,0,0,0,2,0|1,0,0]=3 145 B10R1.15 O=C(O[Na])C1=CC=CC=C1 HY-Y1316 [0,0,0,0,2,0|1,0,0]=3 146 B10R1.15 O=S(O[Na])C1=CC=CC=C1 HY-W013598 [0,0,0,0,2,0|2,0,0]=4 147 B10R1.15 [Li]OC(=O)C1=CC=CC=C1 HY-N0216A [0,0,0,0,2,0|1,0,0]=3