0 B13R1.718 C#CC(=O)COCC1=CC=CC=C1 SC-32478 [0,0,0,0,0,0|2,0,1]=3 1 B13R1.718 COC(=O)CCNC1=CC=CC=C1 SC-48391 [0,0,0,0,0,0|1,0,0]=1 2 B13R1.718 O=C(CCl)COCC1=CC=CC=C1 SC-33013 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.8 CNCCOCC1=CC=CC=C1 SC-52436 [1,0,0,0,0,0|2,0,1]=4 4 B12R1.8 O=CCCCCC1=CC=CC=C1 SC-68672 [1,0,0,0,0,0|2,0,1]=4 5 B12R1.252 CC(=O)CSCC1=CC=CC=C1 SC-65406 [1,0,0,0,0,0|1,0,0]=2 6 B12R1.252 CC(C)CNCC1=CC=CC=C1 SC-51577 [1,0,0,0,0,0|2,0,1]=4 7 B12R1.252 C[C@H](N)COCC1=CC=CC=C1 SC-09293 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.252 N=C(N)CCCC1=CC=CC=C1 SC-39290 [1,0,0,0,0,0|2,0,0]=3 9 B12R1.252 N=C(N)CCCC1=CC=CC=N1 SC-12263 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.252 N=C(N)CCCC1=CC=NC=C1 SC-12261 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.252 N=C(N)CCCC1=CN=CC=C1 SC-12262 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.252 N=C(N)CCOC1=CC=CC=C1 SC-41366 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.252 N=C(N)COCC1=CC=CC=C1 SC-52537 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.252 N=C(N)NCCC1=CC=CC=C1 SC-60341 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.252 O=C(O)CCCC1=CC=NC=C1 SC-70148 [1,0,0,0,0,0|1,0,0]=2 16 B14R1.13 COC(=O)CCCC1=CC=C(Br)C=C1 SC-50343 [0,1,0,0,0,0|0,0,0]=1 17 B14R1.163 COC(=O)CCC(=O)C1=CC=CC=C1 SC-93600 [0,1,0,0,0,0|0,0,1]=2 18 B14R1.520 CCOC(=N)CCCC1=CC=CC=N1 SC-65492 [0,1,0,0,0,0|2,0,0]=3 19 B14R1.520 CCOC(=N)CCCC1=CC=NC=C1 SC-65490 [0,1,0,0,0,0|2,0,0]=3 20 B14R1.520 CCOC(=N)CCCC1=CN=CC=C1 SC-65491 [0,1,0,0,0,0|2,0,0]=3 21 B14R1.520 CCOC(=O)\C=C\CC1=CC=CC=C1 SC-61904 [0,1,0,0,0,0|0,0,2]=3 22 B14R1.520 CCOC(=O)\C=C\CC1=CC=CC=C1 SC-61905 [0,1,0,0,0,0|0,0,2]=3 23 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 SC-25251 [0,0,0,1,0,0|2,0,0]=3 24 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 SC-19534 [0,0,0,1,0,0|1,0,0]=2 25 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CO1 SC-65525 [0,0,0,1,0,0|1,1,0]=3 26 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CO1 SC-14154 [0,0,0,1,0,0|1,1,0]=3 27 B14R2.68 O=C1CCC(C2=CC=CC=C2)CO1 SC-35883 [0,0,0,1,0,0|0,0,0]=1 28 B14R2.68 O=C1CCC(C2=NC=CC=C2)CC1 SC-49378 [0,0,0,1,0,0|2,0,0]=3 29 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 SC-20823 [0,0,0,1,0,0|2,0,0]=3 30 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 SC-77596 [0,0,0,1,0,0|1,0,0]=2 31 B14R2.95 COC(=O)C1=CNC2=C1C=CC=C2 SC-63798 [0,0,0,1,0,0|1,0,2]=4 32 B14R2.95 COC(=O)C1=CNC2=CC=CC=C21 SC-46735 [0,0,0,1,0,0|1,0,2]=4 33 B14R2.95 COC(=O)C1=COC2=CC=CC=C21 SC-57430 [0,0,0,1,0,0|1,0,2]=4 34 B14R2.95 COC(=O)C1=NOC2=CC=CC=C21 SC-87403 [0,0,0,1,0,0|2,0,1]=4 35 B14R2.95 O=C(CBr)N1CCC2=C1C=CC=C2 SC-48703 [0,0,0,1,0,0|3,0,0]=4 36 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 SC-43987 [0,0,0,0,1,0|2,0,1]=4 37 B12R1.27 CCC(=N)NCC1=CC=CC=C1 SC-62049 [0,0,0,0,1,0|3,0,0]=4 38 B12R1.27 COC(=O)CNC1=CCC=CC1 SC-57985 [0,0,0,0,1,0|1,0,2]=4 39 B12R1.27 N=C(CCC1=CC=CC=C1)NO SC-56238 [0,0,0,0,1,0|3,0,0]=4 40 B12R1.27 NCC(=O)OCC1=CC=CC=C1 SC-09568 [0,0,0,0,1,0|3,0,0]=4 41 B12R1.27 NNC(=O)CCC1=CC=CN=C1 SC-59723 [0,0,0,0,1,0|3,0,0]=4 42 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 SC-14428 [0,0,0,0,1,0|2,0,0]=3 43 B12R1.27 O=C(CS)OCC1=CC=CC=C1 SC-96330 [0,0,0,0,1,0|3,0,0]=4 44 B14R1.716 COC(=O)CCCCC1=CC=CC=C1 SC-68710 [0,0,0,0,0,1|0,0,0]=1 45 B14R1.716 COC(=O)CCSCC1=CC=CC=C1 SC-34564 [0,0,0,0,0,1|0,0,0]=1 46 B11R1.28 CCCCCC1=NC=CC=C1 SC-57942 [2,0,0,0,0,0|1,0,1]=4 47 B11R1.28 CCCCOC1=CC=CC=C1 SC-69204 [2,0,0,0,0,0|1,0,1]=4 48 B13R1.9 CCCCCCC1=CC=C(O)C=C1 SC-52097 [1,1,0,0,0,0|1,0,1]=4 49 B13R1.28 OC\C=C\COCC1=CC=CC=C1 SC-31429 [1,1,0,0,0,0|2,0,0]=4 50 B13R1.28 OC\C=C\COCC1=CC=CC=C1 SC-78905 [1,1,0,0,0,0|2,0,0]=4 51 B13R1.45 O=C(O)CCC(=O)C1=NC=CC=C1 SC-50011 [1,1,0,0,0,0|1,0,1]=4 52 B13R1.149 O=C(O)CCCC1=CC=CC(Br)=C1 SC-25268 [1,1,0,0,0,0|0,0,0]=2 53 B13R1.348 CC(CC(=O)O)CC1=CC=CC=C1 SC-87963 [1,1,0,0,0,0|0,0,0]=2 54 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 SC-12427 [1,1,0,0,0,0|0,0,0]=2 55 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 SC-43726 [1,1,0,0,0,0|0,0,0]=2 56 B13R1.351 CC(COC1=CC=CC=C1)C(=O)O SC-58598 [1,1,0,0,0,0|1,0,0]=3 57 B13R1.351 NC(CCC1=CC=NC=C1)C(=O)O SC-31254 [1,1,0,0,0,0|1,0,0]=3 58 B13R1.351 O=C(O)C(=O)OCC1=CC=CC=C1 SC-32761 [1,1,0,0,0,0|1,0,1]=4 59 B13R1.351 O=C(O)C(Br)CCC1=CC=CC=C1 SC-45737 [1,1,0,0,0,0|0,0,0]=2 60 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 SC-52653 [1,1,0,0,0,0|0,0,0]=2 61 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 SC-47517 [1,1,0,0,0,0|0,0,0]=2 62 B13R1.11 COC(=O)C[C@H](O)C1=CC=CC=C1 SC-68781 [0,1,0,0,1,0|0,0,0]=2 63 B13R1.14 COC(=O)CCC1=CC=C(F)C=C1 SC-53419 [0,1,0,0,1,0|0,0,0]=2 64 B13R1.14 COC(=O)COC1=CC=C(Cl)C=C1 SC-73516 [0,1,0,0,1,0|1,0,0]=3 65 B13R1.14 O=C(CBr)CCC1=CC=C(Br)C=C1 SC-34471 [0,1,0,0,1,0|2,0,0]=4 66 B13R1.135 COC(=O)C(=O)CC1=CC=CC=C1 SC-21745 [0,1,0,0,1,0|0,0,1]=3 67 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 SC-52634 [0,1,0,0,1,0|0,0,0]=2 68 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 SC-00933 [0,1,0,0,1,0|0,0,0]=2 69 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 SC-09796 [0,1,0,0,1,0|0,0,0]=2 70 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 SC-70627 [0,1,0,0,1,0|0,0,0]=2 71 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 SC-24749 [0,1,0,0,1,0|0,0,0]=2 72 B13R1.528 CC1=CC=CC=C1CCC(=O)NN SC-59724 [0,1,0,0,1,0|2,0,0]=4 73 B13R1.528 COC(=O)CNC1=CC=CC=C1Cl SC-01026 [0,1,0,0,1,0|1,0,0]=3 74 B15R1.26 COC(=O)NCCCC1=CC=C(Br)C=C1 SC-34284 [0,1,0,0,0,1|0,0,0]=2 75 B15R1.778 CCOC(=O)CCCCC1=CC=CC=C1 SC-68711 [0,1,0,0,0,1|0,0,0]=2 76 B15R1.1091 COC(=O)NCCCC1=CC=CC=C1Br SC-34552 [0,1,0,0,0,1|0,0,0]=2 77 B15R1.1321 COC(=O)C(=O)CCCC1=CC=CC=C1 SC-61431 [0,1,0,0,0,1|0,0,0]=2 78 B15R1.1321 COC(=O)[C@@H](O)COCC1=CC=CC=C1 SC-48586 [0,1,0,0,0,1|0,0,0]=2 79 B15R1.11 CCOC(=O)CCCC1=CC=C(Br)C=C1 SC-45830 [0,2,0,0,0,0|0,0,0]=2 80 B15R1.11 CCOC(=O)CCCC1=CC=C(C)C=C1 SC-57732 [0,2,0,0,0,0|0,0,0]=2 81 B15R1.11 CCOC(=O)CCCC1=CC=C(Cl)C=C1 SC-57728 [0,2,0,0,0,0|0,0,0]=2 82 B15R1.11 CCOC(=O)CCCC1=CC=C(F)C=C1 SC-57725 [0,2,0,0,0,0|0,0,0]=2 83 B15R1.11 CCOC(=O)C\C=C\C1=CC=C(Cl)C=C1 SC-61913 [0,2,0,0,0,0|0,0,2]=4 84 B15R1.11 CCOC(=O)C\C=C\C1=CC=C(F)C=C1 SC-61907 [0,2,0,0,0,0|0,0,2]=4 85 B15R1.11 CCOC(=O)\C=C\CC1=CC=C(Br)C=C1 SC-61911 [0,2,0,0,0,0|0,0,2]=4 86 B15R1.11 CCOC(=O)\C=C\CC1=CC=C(Cl)C=C1 SC-52148 [0,2,0,0,0,0|0,0,2]=4 87 B15R1.11 CCOC(=O)\C=C\CC1=CC=C(F)C=C1 SC-61906 [0,2,0,0,0,0|0,0,2]=4 88 B15R1.132 COC(=O)CCC(=O)C1=CC=C(C)C=C1 SC-27566 [0,2,0,0,0,0|0,0,1]=3 89 B15R1.132 COC(=O)CCC(=O)C1=CC=C(F)C=C1 SC-27351 [0,2,0,0,0,0|0,0,1]=3 90 B15R1.89 CCOC(=O)CCC(=O)C1=NC=CC=C1 SC-47933 [0,2,0,0,0,0|1,0,1]=4 91 B15R1.633 CCOC(=O)CCCC1=CC=CC(Br)=C1 SC-57727 [0,2,0,0,0,0|0,0,0]=2 92 B15R1.633 CCOC(=O)CCCC1=CC=CC(C)=C1 SC-21702 [0,2,0,0,0,0|0,0,0]=2 93 B15R1.633 CCOC(=O)\C=C\CC1=CC=CC(Br)=C1 SC-61909 [0,2,0,0,0,0|0,0,2]=4 94 B15R1.809 CCOC(=O)CC(=O)CC1=CC=NC=C1 SC-25142 [0,2,0,0,0,0|1,0,1]=4 95 B15R1.826 CCOC(=O)[C@@H](N)CCC1=CC=CC=C1 SC-07278 [0,2,0,0,0,0|0,0,0]=2 96 B15R1.826 CCOC(=O)[C@@H](N)CCC1=CC=CC=C1 SC-42234 [0,2,0,0,0,0|0,0,0]=2 97 B15R1.826 CCOC(=O)[C@H](N)CCC1=CC=CC=C1 SC-54538 [0,2,0,0,0,0|0,0,0]=2 98 B15R1.1252 CCOC(=N)CCCC1=C(Cl)C=CC=C1 SC-65482 [0,2,0,0,0,0|1,0,0]=3 99 B15R1.1252 CCOC(=O)CCCC1=CC=CC=C1Br SC-57726 [0,2,0,0,0,0|0,0,0]=2 100 B15R1.1252 CCOC(=O)CCCC1=CC=CC=C1C SC-21703 [0,2,0,0,0,0|0,0,0]=2 101 B15R1.1252 CCOC(=O)C\C=C\C1=CC=CC=C1C SC-61914 [0,2,0,0,0,0|0,0,2]=4 102 B15R1.1252 CCOC(=O)\C=C\CC1=CC=CC=C1Br SC-61908 [0,2,0,0,0,0|0,0,2]=4 103 B15R1.1370 COC(=O)C(CO)NCC1=CC=CC=C1 SC-25079 [0,2,0,0,0,0|1,0,0]=3 104 B13R2.3 C1=CC=C(C2CCCCC2)C=C1 SC-77517 [1,0,0,1,0,0|1,0,1]=4 105 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 SC-23713 [1,0,0,1,0,0|1,0,1]=4 106 B13R2.64 C1=CC=C(CC2CCNC2)C=C1 SC-50777 [1,0,0,1,0,0|1,0,1]=4 107 B13R2.10 O=C1CC=C(C2=CC=CC=C2)O1 SC-52586 [1,0,0,1,0,0|0,0,2]=4 108 B13R2.10 O=C1NCC(C2=CC=CC=C2)N1 SC-89145 [1,0,0,1,0,0|2,0,0]=4 109 B13R2.10 O=C1NCC(C2=CC=CC=C2)O1 SC-49190 [1,0,0,1,0,0|1,0,0]=3 110 B13R2.31 O=C1CC(CC2=CC=CC=C2)C1 SC-36029 [1,0,0,1,0,0|0,0,0]=2 111 B13R2.72 O=C(O)C1CNC2=C1C=CC=C2 SC-04209 [1,0,0,1,0,0|1,0,0]=3 112 B13R2.423 O=C(Cl)[C@H]1C[C@H]1C2=CC=CC=C2 SC-60997 [1,0,0,1,0,0|1,0,0]=3 113 B15R2.4 COC(=O)CC1=CNC2=C1C=CC=C2 SC-32036 [0,0,0,1,0,1|0,0,2]=4 114 B15R2.4 COC(=O)CC1NCC2=C1C=CC=C2 SC-49341 [0,0,0,1,0,1|0,0,0]=2 115 B15R2.29 O=C1CCN(CC2=CC=CN=C2)CC1 SC-50309 [0,0,0,1,0,1|2,0,0]=4 116 B15R2.29 O=C1CCN(CC2=CC=NC=C2)CC1 SC-23907 [0,0,0,1,0,1|2,0,0]=4 117 B15R2.29 O=C1CCN(CC2=CC=NC=C2)CC1 SC-50310 [0,0,0,1,0,1|2,0,0]=4 118 B15R2.3 O=C1CCC(C2=CC=C(Cl)C=C2)CC1 SC-53152 [0,1,0,1,0,0|1,0,0]=3 119 B15R2.79417 CCC(=O)N1CCC2=C1C=C(N)C=C2 SC-57320 [0,1,0,1,0,0|2,0,0]=4 120 B15R2.79417 COC(=O)N1CCC2=C1C=C(N)C=C2 SC-57323 [0,1,0,1,0,0|1,0,0]=3 121 B15R2.79417 COC(=O)N1CCC2=C1C=C(O)C=C2 SC-57317 [0,1,0,1,0,0|1,0,0]=3 122 B15R2.31 O=C1C=CCN(CC2=CC=CC=C2)C1 SC-36158 [0,1,0,1,0,0|2,0,0]=4 123 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 SC-40507 [0,1,0,1,0,0|2,0,0]=4 124 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 SC-90816 [0,1,0,1,0,0|2,0,0]=4 125 B15R2.31 O=C1CCNC(CC2=CC=CC=C2)C1 SC-35531 [0,1,0,1,0,0|1,0,0]=3 126 B15R2.31 O=C1CN(CC2=CC=CC=C2)CCN1 SC-96015 [0,1,0,1,0,0|2,0,0]=4 127 B15R2.1342 CCOC(=O)C1CC1C2=CC=CC=C2 SC-50265 [0,1,0,1,0,0|0,0,0]=2 128 B15R2.1342 CCOC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2 SC-42129 [0,1,0,1,0,0|0,0,0]=2 129 B15R2.1569 COC(=O)CC1CC2=C(C=CC=C2)C1 SC-61228 [0,1,0,1,0,0|0,0,0]=2 130 B15R2.1601 COC(=O)C1=CC2=C(C=CC=C2)NC1 SC-69257 [0,1,0,1,0,0|1,0,1]=4 131 B15R2.2170 COC(=O)N1CCC2=C1C=CC=C2C SC-57332 [0,1,0,1,0,0|1,0,0]=3 132 B15R2.19094 CCC(=O)N1CCC2=C1C=CC(N)=C2 SC-57321 [0,1,0,1,0,0|2,0,0]=4 133 B15R2.19094 COC(=O)N1CCC2=C1C=CC(Br)=C2 SC-57331 [0,1,0,1,0,0|1,0,0]=3 134 B15R2.19094 COC(=O)N1CCC2=C1C=CC(C)=C2 SC-57333 [0,1,0,1,0,0|1,0,0]=3 135 B15R2.19094 COC(=O)N1CCC2=C1C=CC(Cl)=C2 SC-61812 [0,1,0,1,0,0|1,0,0]=3 136 B15R2.19094 COC(=O)N1CCC2=C1C=CC(N)=C2 SC-57322 [0,1,0,1,0,0|1,0,0]=3 137 B15R2.19094 COC(=O)N1CCC2=C1C=CC(O)=C2 SC-57318 [0,1,0,1,0,0|1,0,0]=3 138 B11R1.91 CC(=N)NCC1=CC=CC=C1 SC-62048 [1,0,0,0,1,0|2,0,0]=4 139 B11R1.91 CC(=O)NCC1=CC=NC=C1 SC-54472 [1,0,0,0,1,0|2,0,0]=4 140 B11R1.91 CC(=O)NCC1=CN=CC=C1 SC-65166 [1,0,0,0,1,0|2,0,0]=4 141 B11R1.91 CC(=O)NCC1=NC=CC=C1 SC-54471 [1,0,0,0,1,0|2,0,0]=4 142 B11R1.91 CC(=S)CSC1=CC=CC=C1 SC-42706 [1,0,0,0,1,0|1,1,0]=4 143 B11R1.91 CC(N)CCC1=CC=CC=C1 SC-62200 [1,0,0,0,1,0|1,0,1]=4 144 B11R1.91 N=C(N)CCC1=CC=CC=C1 SC-39335 [1,0,0,0,1,0|2,0,0]=4 145 B11R1.91 O=C(O)CCC1=CC=CC=C1 SC-04862 [1,0,0,0,1,0|0,0,0]=2 146 B11R1.91 O=C(O)CCC1=CC=NC=C1 SC-50418 [1,0,0,0,1,0|1,0,0]=3 147 B11R1.91 O=C(O)COC1=NC=CC=C1 SC-50472 [1,0,0,0,1,0|2,0,0]=4 148 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 SC-24646 [1,0,0,0,1,0|0,0,2]=4 149 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 SC-68717 [1,0,0,0,1,0|1,0,1]=4 150 B11R1.91 OB(O)CCC1=CC=CC=C1 SC-86482 [1,0,0,0,1,0|1,0,1]=4 151 B11R1.25 COC(=O)CCC1=CC=CN1 SC-90967 [0,0,0,0,2,0|1,0,0]=3 152 B11R1.25 COC(=O)CCC1=CC=CS1 SC-44693 [0,0,0,0,2,0|1,0,0]=3 153 B11R1.25 COC(=O)CCC1=CNC=N1 SC-65950 [0,0,0,0,2,0|2,0,0]=4 154 B11R1.40 COC(=O)CC1=CC=CC=C1 SC-26761 [0,0,0,0,2,0|0,0,0]=2 155 B11R1.40 COC(=O)CC1=CC=NC=C1 SC-27164 [0,0,0,0,2,0|1,0,0]=3 156 B11R1.40 COC(=O)CC1=NC=CC=N1 SC-27420 [0,0,0,0,2,0|2,0,0]=4