0 B12R1.252 CC(=O)CSCC1=CC=CC=C1 SC-65406 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.252 CC(C)CNCC1=CC=CC=C1 SC-51577 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.252 C[C@H](N)COCC1=CC=CC=C1 SC-09293 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.252 N=C(N)CCCC1=CC=CC=C1 SC-39290 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.252 N=C(N)CCCC1=CC=CC=N1 SC-12263 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.252 N=C(N)CCCC1=CC=NC=C1 SC-12261 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.252 N=C(N)CCCC1=CN=CC=C1 SC-12262 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.252 N=C(N)CCOC1=CC=CC=C1 SC-41366 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.252 N=C(N)COCC1=CC=CC=C1 SC-52537 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.252 N=C(N)NCCC1=CC=CC=C1 SC-60341 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.252 O=C(O)CCCC1=CC=NC=C1 SC-70148 [0,0,0,0,0,0|1,0,0]=1 11 B11R1.28 CCCCCC1=NC=CC=C1 SC-57942 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.28 CCCCOC1=CC=CC=C1 SC-69204 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.28 ClCCNCC1=CC=CC=C1 SC-73457 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.28 N#CCCCC1=CC=NC=C1 SC-65473 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.28 N#CCCNC1=CC=CC=C1 SC-00279 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.28 NCCCOC1=CC=CC=C1 SC-40255 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.28 NNCCCC1=CC=CN=C1 SC-41332 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.28 NNCCCC1=CC=NC=C1 SC-42046 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.28 NNCCCC1=NC=CC=C1 SC-41331 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.28 NNCCOC1=CC=CC=C1 SC-59918 [1,0,0,0,0,0|3,0,0]=4 21 B13R1.45 O=C(O)CCC(=O)C1=NC=CC=C1 SC-50011 [0,1,0,0,0,0|1,0,1]=3 22 B13R1.149 O=C(O)CCCC1=CC=CC(Br)=C1 SC-25268 [0,1,0,0,0,0|0,0,0]=1 23 B13R1.158 N=C(N)NCCC1=CC=CC=C1Br SC-60343 [0,1,0,0,0,0|3,0,0]=4 24 B13R1.348 CC(CC(=O)O)CC1=CC=CC=C1 SC-87963 [0,1,0,0,0,0|0,0,0]=1 25 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 SC-12427 [0,1,0,0,0,0|0,0,0]=1 26 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 SC-43726 [0,1,0,0,0,0|0,0,0]=1 27 B13R1.351 CC(COC1=CC=CC=C1)C(=O)O SC-58598 [0,1,0,0,0,0|1,0,0]=2 28 B13R1.351 NC(CCC1=CC=NC=C1)C(=O)O SC-31254 [0,1,0,0,0,0|1,0,0]=2 29 B13R1.351 O=C(O)C(=O)OCC1=CC=CC=C1 SC-32761 [0,1,0,0,0,0|1,0,1]=3 30 B13R1.351 O=C(O)C(Br)CCC1=CC=CC=C1 SC-45737 [0,1,0,0,0,0|0,0,0]=1 31 B13R1.513 N=C(N)CCOC1=CC=C(F)C=C1 SC-41174 [0,1,0,0,0,0|3,0,0]=4 32 B13R1.513 N=C(N)NCCC1=CC=C(Cl)C=C1 SC-60374 [0,1,0,0,0,0|3,0,0]=4 33 B13R1.513 N=C(N)NCCC1=CC=C(F)C=C1 SC-60375 [0,1,0,0,0,0|3,0,0]=4 34 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 SC-52653 [0,1,0,0,0,0|0,0,0]=1 35 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 SC-47517 [0,1,0,0,0,0|0,0,0]=1 36 B13R1.718 C#CC(=O)COCC1=CC=CC=C1 SC-32478 [0,1,0,0,0,0|2,0,0]=3 37 B13R1.718 C=CC(O)CNCC1=CC=CC=C1 SC-86967 [0,1,0,0,0,0|2,0,1]=4 38 B13R1.718 COC(=O)CCNC1=CC=CC=C1 SC-48391 [0,1,0,0,0,0|1,0,0]=2 39 B13R1.718 NC(CO)CCOC1=CC=CC=C1 SC-33038 [0,1,0,0,0,0|2,0,1]=4 40 B13R1.718 NC(CO)CSCC1=CC=CC=C1 SC-69758 [0,1,0,0,0,0|2,0,1]=4 41 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 SC-50632 [0,1,0,0,0,0|2,0,1]=4 42 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 SC-50633 [0,1,0,0,0,0|2,0,1]=4 43 B13R1.718 O=C(CCl)COCC1=CC=CC=C1 SC-33013 [0,1,0,0,0,0|2,0,0]=3 44 B13R1.718 OCC(O)COCC1=CC=CC=C1 SC-76775 [0,1,0,0,0,0|1,0,2]=4 45 B13R1.3523 O=S(=O)(Cl)CCOC1=CC=CC=C1 SC-22014 [0,1,0,0,0,0|2,0,1]=4 46 B13R2.10 CC1COC(C2=CC=CC=C2)O1 SC-93541 [0,0,0,1,0,0|2,0,1]=4 47 B13R2.10 O=C1CC=C(C2=CC=CC=C2)O1 SC-52586 [0,0,0,1,0,0|0,0,2]=3 48 B13R2.10 O=C1NCC(C2=CC=CC=C2)N1 SC-89145 [0,0,0,1,0,0|2,0,0]=3 49 B13R2.10 O=C1NCC(C2=CC=CC=C2)O1 SC-49190 [0,0,0,1,0,0|1,0,0]=2 50 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CO1 SC-17369 [0,0,0,1,0,0|2,1,0]=4 51 B13R2.10 [C@@H]1(C2=CC=CC=C2)COC(=S)N1 SC-25816 [0,0,0,1,0,0|2,1,0]=4 52 B13R2.10 [C@H]1(C2=CC=CC=C2)CSC(=S)N1 SC-17058 [0,0,0,1,0,0|2,1,0]=4 53 B13R2.31 O=C1CC(CC2=CC=CC=C2)C1 SC-36029 [0,0,0,1,0,0|1,0,0]=2 54 B13R2.72 O=C(O)C1CNC2=C1C=CC=C2 SC-04209 [0,0,0,1,0,0|1,0,0]=2 55 B13R2.423 O=C(Cl)[C@H]1C[C@H]1C2=CC=CC=C2 SC-60997 [0,0,0,1,0,0|1,0,0]=2 56 B11R1.91 CC(=N)NCC1=CC=CC=C1 SC-62048 [0,0,0,0,1,0|3,0,0]=4 57 B11R1.91 CC(=O)NCC1=CC=NC=C1 SC-54472 [0,0,0,0,1,0|3,0,0]=4 58 B11R1.91 CC(=O)NCC1=CN=CC=C1 SC-65166 [0,0,0,0,1,0|3,0,0]=4 59 B11R1.91 CC(=O)NCC1=NC=CC=C1 SC-54471 [0,0,0,0,1,0|3,0,0]=4 60 B11R1.91 CC(=S)CSC1=CC=CC=C1 SC-42706 [0,0,0,0,1,0|2,1,0]=4 61 B11R1.91 CC(N)CCC1=CC=CC=C1 SC-62200 [0,0,0,0,1,0|2,0,1]=4 62 B11R1.91 N=C(N)CCC1=CC=CC=C1 SC-39335 [0,0,0,0,1,0|2,0,0]=3 63 B11R1.91 N=C(N)CCC1=CC=CN=C1 SC-55394 [0,0,0,0,1,0|3,0,0]=4 64 B11R1.91 N=C(N)CCC1=CC=NC=C1 SC-62572 [0,0,0,0,1,0|3,0,0]=4 65 B11R1.91 N=C(N)CCC1=NC=CC=C1 SC-58525 [0,0,0,0,1,0|3,0,0]=4 66 B11R1.91 N=C(N)COC1=CC=CC=C1 SC-27806 [0,0,0,0,1,0|3,0,0]=4 67 B11R1.91 N=C(N)CSC1=CC=CC=C1 SC-40895 [0,0,0,0,1,0|3,0,0]=4 68 B11R1.91 O=C(Cl)C#CC1=CC=CC=C1 SC-45729 [0,0,0,0,1,0|1,0,2]=4 69 B11R1.91 O=C(O)CCC1=CC=CC=C1 SC-04862 [0,0,0,0,1,0|0,0,0]=1 70 B11R1.91 O=C(O)CCC1=CC=NC=C1 SC-50418 [0,0,0,0,1,0|1,0,0]=2 71 B11R1.91 O=C(O)COC1=NC=CC=C1 SC-50472 [0,0,0,0,1,0|2,0,0]=3 72 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 SC-24646 [0,0,0,0,1,0|0,0,2]=3 73 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 SC-05126 [0,0,0,0,1,0|1,0,2]=4 74 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 SC-54179 [0,0,0,0,1,0|0,0,3]=4 75 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 SC-68717 [0,0,0,0,1,0|1,0,1]=3 76 B11R1.91 OB(O)CCC1=CC=CC=C1 SC-86482 [0,0,0,0,1,0|1,0,1]=3 77 B13R1.337 N=C(N)NCCCC1=CC=CC=C1 SC-60373 [0,0,0,0,0,1|2,0,0]=3 78 B13R1.337 O=C(Cl)OCCOC1=CC=CC=C1 SC-86178 [0,0,0,0,0,1|2,0,0]=3 79 B10R1.17 BrCCOC1=CC=CC=C1 SC-05561 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.17 BrCCSC1=CC=CC=C1 SC-51881 [2,0,0,0,0,0|2,0,0]=4 81 B10R1.17 C=CCNC1=CC=CC=C1 SC-52014 [2,0,0,0,0,0|1,0,1]=4 82 B10R1.17 CCCCC1=NC=CC=C1 SC-52456 [2,0,0,0,0,0|1,0,1]=4 83 B10R1.17 ClCCCC1=CC=NC=C1 SC-54620 [2,0,0,0,0,0|2,0,0]=4 84 B10R1.17 ClCCCC1=CN=CC=C1 SC-54619 [2,0,0,0,0,0|2,0,0]=4 85 B10R1.17 NCCCC1=CC=CC=N1 SC-49860 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.17 NCCCC1=CC=CN=C1 SC-49861 [2,0,0,0,0,0|2,0,0]=4 87 B10R1.17 NCCSC1=CC=CC=C1 SC-40816 [2,0,0,0,0,0|2,0,0]=4 88 B10R1.17 O=CC#CC1=CC=CC=C1 SC-89627 [2,0,0,0,0,0|0,0,2]=4 89 B10R1.17 O=CCCC1=CC=NC=C1 SC-31224 [2,0,0,0,0,0|1,0,0]=3 90 B10R1.17 O=CCCC1=NC=CC=C1 SC-31288 [2,0,0,0,0,0|1,0,0]=3 91 B10R1.17 OCC#CC1=CC=CC=C1 SC-46226 [2,0,0,0,0,0|0,0,2]=4 92 B10R1.17 OCCCC1=NC=CC=C1 SC-27298 [2,0,0,0,0,0|1,0,0]=3 93 B10R1.17 OCCCC1=NC=CC=N1 SC-87505 [2,0,0,0,0,0|2,0,0]=4 94 B10R1.17 SCCOC1=CC=CC=C1 SC-66414 [2,0,0,0,0,0|1,1,0]=4 95 B12R1.1 CC1=CC=C(CCCC=O)C=C1 SC-57736 [1,1,0,0,0,0|0,0,0]=2 96 B12R1.1 CCCCCC1=CC=C(O)C=C1 SC-54569 [1,1,0,0,0,0|1,0,1]=4 97 B12R1.1 NNCCCC1=CC=C(Cl)C=C1 SC-42096 [1,1,0,0,0,0|2,0,0]=4 98 B12R1.1 O=CCCCC1=CC=C(Cl)C=C1 SC-57729 [1,1,0,0,0,0|0,0,0]=2 99 B12R1.8 BrCCCCOC1=CC=CC=C1 SC-19422 [1,1,0,0,0,0|1,0,1]=4 100 B12R1.8 C=CCCNCC1=CC=CC=C1 SC-34024 [1,1,0,0,0,0|1,0,0]=3 101 B12R1.8 CNCCOCC1=CC=CC=C1 SC-52436 [1,1,0,0,0,0|2,0,0]=4 102 B12R1.8 NNCCCOC1=CC=CC=C1 SC-59953 [1,1,0,0,0,0|2,0,0]=4 103 B12R1.8 O=CCCCCC1=CC=CC=C1 SC-68672 [1,1,0,0,0,0|0,0,0]=2 104 B12R1.8 O=COC\C=C\C1=CC=CC=C1 SC-68028 [1,1,0,0,0,0|0,0,2]=4 105 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 SC-45126 [1,1,0,0,0,0|1,0,1]=4 106 B12R1.27 N=C(CCC1=CC=CC=C1)NO SC-56238 [1,1,0,0,0,0|1,0,1]=4 107 B12R1.27 NC(CO)CCC1=CC=CC=C1 SC-41147 [1,1,0,0,0,0|0,0,1]=3 108 B12R1.27 N[C@@H](CO)CCC1=CC=CC=C1 SC-13097 [1,1,0,0,0,0|0,0,1]=3 109 B12R1.28 CC1=CC(CCCCO)=CC=C1 SC-57733 [1,1,0,0,0,0|0,0,1]=3 110 B12R1.30 CCCCC(C)C1=CC=CC=C1 SC-36177 [1,1,0,0,0,0|1,0,1]=4 111 B12R1.32 CN(CCO)CC1=CC=CC=C1 SC-22800 [1,1,0,0,0,0|1,0,1]=4 112 B12R1.267 CC1=CC=CC=C1CCCC=O SC-57735 [1,1,0,0,0,0|0,0,0]=2 113 B12R1.267 CC1=CC=CC=C1CCCCO SC-57734 [1,1,0,0,0,0|0,0,1]=3 114 B12R1.21 CC(=O)CCC1=CC=C(Br)C=C1 SC-34731 [0,1,0,0,1,0|1,0,0]=3 115 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 SC-18497 [0,1,0,0,1,0|1,0,0]=3 116 B12R1.21 CC1=CC=C(OCC(=O)Cl)C=C1 SC-91235 [0,1,0,0,1,0|2,0,0]=4 117 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 SC-50222 [0,1,0,0,1,0|1,0,0]=3 118 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 SC-01993 [0,1,0,0,1,0|0,0,2]=4 119 B12R1.21 N=C(N)CCC1=CC=C(Br)C=C1 SC-38868 [0,1,0,0,1,0|2,0,0]=4 120 B12R1.21 N=C(N)CCC1=CC=C(O)C=C1 SC-41086 [0,1,0,0,1,0|2,0,0]=4 121 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 SC-25794 [0,1,0,0,1,0|0,0,0]=2 122 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 SC-48863 [0,1,0,0,1,0|1,0,0]=3 123 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 SC-46688 [0,1,0,0,1,0|1,0,0]=3 124 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 SC-25724 [0,1,0,0,1,0|1,0,0]=3 125 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 SC-39491 [0,1,0,0,1,0|0,0,2]=4 126 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 SC-50375 [0,1,0,0,1,0|0,0,2]=4 127 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 SC-65982 [0,1,0,0,1,0|0,0,2]=4 128 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O SC-21936 [0,1,0,0,1,0|0,0,1]=3 129 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O SC-22789 [0,1,0,0,1,0|0,0,1]=3 130 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 SC-24697 [0,1,0,0,1,0|1,0,0]=3 131 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O SC-11174 [0,1,0,0,1,0|1,0,0]=3 132 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O SC-11181 [0,1,0,0,1,0|1,0,0]=3 133 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O SC-11171 [0,1,0,0,1,0|1,0,0]=3 134 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O SC-10967 [0,1,0,0,1,0|0,0,0]=2 135 B12R1.43 O=C(O)\C(F)=C\C1=CC=CC=C1 SC-21162 [0,1,0,0,1,0|0,0,2]=4 136 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 SC-77590 [0,1,0,0,1,0|0,0,2]=4 137 B12R1.107 NC(=O)CC(N)C1=NC=CC=C1 SC-59231 [0,1,0,0,1,0|2,0,0]=4 138 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 SC-27547 [0,1,0,0,1,0|0,0,0]=2 139 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 SC-46779 [0,1,0,0,1,0|0,0,0]=2 140 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 SC-46780 [0,1,0,0,1,0|0,0,0]=2 141 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 SC-80858 [0,1,0,0,1,0|0,0,0]=2 142 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 SC-46433 [0,1,0,0,1,0|0,0,2]=4 143 B12R1.125 CC1=CC=CC=C1OCC(=O)O SC-73996 [0,1,0,0,1,0|1,0,0]=3 144 B12R1.125 N=C(N)CCC1=CC=CC=C1Cl SC-65323 [0,1,0,0,1,0|2,0,0]=4 145 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl SC-49196 [0,1,0,0,1,0|0,0,0]=2 146 B12R1.125 O=C(O)CCC1=CC=CC=C1F SC-76672 [0,1,0,0,1,0|0,0,0]=2 147 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F SC-45975 [0,1,0,0,1,0|0,0,2]=4 148 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1I SC-41296 [0,1,0,0,1,0|0,0,2]=4 149 B12R1.226 CC1=CC(OCC(=O)O)=CC=C1 SC-73698 [0,1,0,0,1,0|1,0,0]=3 150 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 SC-27466 [0,1,0,0,1,0|0,0,2]=4 151 B12R1.226 N=C(N)CCC1=CC(Cl)=CC=C1 SC-54616 [0,1,0,0,1,0|2,0,0]=4 152 B12R1.226 NC1=CC(CCC(=O)O)=CC=C1 SC-73734 [0,1,0,0,1,0|0,0,0]=2 153 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 SC-13620 [0,1,0,0,1,0|0,0,0]=2 154 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 SC-28105 [0,1,0,0,1,0|0,0,0]=2 155 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 SC-54326 [0,1,0,0,1,0|0,0,0]=2 156 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 SC-50193 [0,1,0,0,1,0|1,0,0]=3 157 B12R1.226 O=C(O)\C=C\C1=CC=CC(I)=C1 SC-41212 [0,1,0,0,1,0|0,0,2]=4 158 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 SC-80962 [0,1,0,0,1,0|0,0,2]=4 159 B12R1.260 C[C@@H](CC(=O)O)SC1=CC=CS1 SC-19807 [0,1,0,0,1,0|2,0,0]=4 160 B12R1.264 N[C@H](CCC1=CN=CN1)C(=O)O SC-49292 [0,1,0,0,1,0|2,0,0]=4 161 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 SC-46406 [0,1,0,0,0,1|0,0,0]=2 162 B14R1.423 N[C@@H](CCC(=O)O)CC1=CC=CC=C1 SC-69776 [0,1,0,0,0,1|0,0,0]=2 163 B14R1.716 COC(=O)CCCCC1=CC=CC=C1 SC-68710 [0,1,0,0,0,1|0,0,0]=2 164 B14R1.716 COC(=O)CCSCC1=CC=CC=C1 SC-34564 [0,1,0,0,0,1|0,0,0]=2 165 B14R1.818 CC(CC(=O)O)NCC1=CC=CC=C1 SC-41290 [0,1,0,0,0,1|0,0,0]=2 166 B14R1.818 NC(CCC1=CC=CC=C1)CC(=O)O SC-59365 [0,1,0,0,0,1|0,0,0]=2 167 B14R1.6449 CC(CNCC1=CC=CC=C1)C(=O)O SC-40707 [0,1,0,0,0,1|0,0,0]=2 168 B14R1.6449 NC(CCCC1=CC=CC=C1)C(=O)O SC-53096 [0,1,0,0,0,1|0,0,0]=2 169 B14R1.6449 NC(CCOC1=CC=CC=C1)C(=O)O SC-33082 [0,1,0,0,0,1|0,0,0]=2 170 B14R1.6449 NC(CSCC1=CC=CC=C1)C(=O)O SC-09465 [0,1,0,0,0,1|0,0,0]=2 171 B14R1.6449 [C@@H](N)(COCC1=CC=CC=C1)C(=O)O SC-09856 [0,1,0,0,0,1|0,0,0]=2 172 B14R1.149 O=C(O)NCC(O)C1=CC=CC(Br)=C1 SC-61957 [0,2,0,0,0,0|1,0,0]=3 173 B14R1.160 O=C(O)NCC(O)C1=CC=CC=C1Br SC-61959 [0,2,0,0,0,0|1,0,0]=3 174 B14R1.160 O=C(O)NCC(O)C1=CC=CC=C1Cl SC-61951 [0,2,0,0,0,0|1,0,0]=3 175 B14R1.163 COC(=O)CCC(=O)C1=CC=CC=C1 SC-93600 [0,2,0,0,0,0|0,0,1]=3 176 B14R1.415 CC(CC(N)C(=O)O)C1=CC=CC=C1 SC-59421 [0,2,0,0,0,0|0,0,0]=2 177 B14R1.415 CN(CC(N)C1=CC=CC=C1)C(=O)O SC-72183 [0,2,0,0,0,0|1,0,0]=3 178 B14R1.417 CC(C1=CC=CC=C1)C(N)CC(=O)O SC-59361 [0,2,0,0,0,0|0,0,0]=2 179 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 SC-45842 [0,2,0,0,0,0|0,0,1]=3 180 B14R1.678 NC1=CC=C(C(=O)NCC(=O)O)C=C1 SC-81289 [0,2,0,0,0,0|1,0,1]=4 181 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Cl)C=C1 SC-52657 [0,2,0,0,0,0|0,0,1]=3 182 B14R1.678 O=C(O)NCC(O)C1=CC=C(Br)C=C1 SC-61955 [0,2,0,0,0,0|1,0,0]=3 183 B14R1.678 O=C(O)NCC(O)C1=CC=C(F)C=C1 SC-61963 [0,2,0,0,0,0|1,0,0]=3 184 B14R1.687 O=C(O)CCCC1=CC=C(O)C(O)=C1 SC-51735 [0,2,0,0,0,0|0,0,0]=2 185 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(Br)=C1 SC-A1246 [0,2,0,0,0,0|0,0,0]=2 186 B14R1.161 NC(CCC1=CC=CC=C1Cl)C(=O)O SC-31572 [0,2,0,0,0,0|0,0,0]=2 187 B14R1.161 NC(CCC1=NC=CC=C1Cl)C(=O)O SC-31047 [0,2,0,0,0,0|1,0,0]=3 188 B14R1.337 CC1=CC=CC=C1CC(N)CC(=O)O SC-21177 [0,2,0,0,0,0|0,0,0]=2 189 B14R1.337 N[C@@H](CC(=O)O)CC1=CC=CC=C1Br SC-A1242 [0,2,0,0,0,0|0,0,0]=2 190 B14R1.337 N[C@@H](CC(=O)O)CC1=CC=CC=C1Cl SC-66010 [0,2,0,0,0,0|0,0,0]=2 191 B14R1.337 N[C@H](CC(=O)O)CC1=CC=CC=C1F SC-A1227 [0,2,0,0,0,0|0,0,0]=2 192 B14R1.698 CC(CC1=CC=C(O)C=C1)NC(=O)O SC-60631 [0,2,0,0,0,0|1,0,0]=3 193 B14R1.698 NC(CC(=O)O)CC1=CC=C(Cl)C=C1 SC-20837 [0,2,0,0,0,0|0,0,0]=2 194 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Br)C=C1 SC-A1249 [0,2,0,0,0,0|0,0,0]=2 195 B14R1.13 COC(=O)CCCC1=CC=C(Br)C=C1 SC-50343 [0,2,0,0,0,0|0,0,0]=2 196 B14R1.520 CCOC(=N)CCCC1=CC=CC=N1 SC-65492 [0,2,0,0,0,0|2,0,0]=4 197 B14R1.520 CCOC(=N)CCCC1=CC=NC=C1 SC-65490 [0,2,0,0,0,0|2,0,0]=4 198 B14R1.520 CCOC(=N)CCCC1=CN=CC=C1 SC-65491 [0,2,0,0,0,0|2,0,0]=4 199 B14R1.520 CCOC(=O)\C=C\CC1=CC=CC=C1 SC-61904 [0,2,0,0,0,0|0,0,2]=4 200 B14R1.520 CCOC(=O)\C=C\CC1=CC=CC=C1 SC-61905 [0,2,0,0,0,0|0,0,2]=4 201 B12R2.1 NNC1CCC2=C1C=CC=C2 SC-59032 [1,0,0,1,0,0|2,0,0]=4 202 B12R2.1 OCC1OCC2=CC=CC=C21 SC-14005 [1,0,0,1,0,0|1,0,1]=4 203 B12R2.2 C1=CC=C(C2CCNC2)C=C1 SC-47817 [1,0,0,1,0,0|2,0,0]=4 204 B12R2.27 O=C[C@@H]1C[C@H]1C2=CC=CC=C2 SC-54076 [1,0,0,1,0,0|0,0,0]=2 205 B12R2.41 C1=CC=C2CCCCCC2=C1 SC-36155 [1,0,0,1,0,0|1,0,1]=4 206 B12R2.41 C1=CC=C2OCCCNC2=C1 SC-36095 [1,0,0,1,0,0|1,0,1]=4 207 B12R2.41 C1=CC=C2OCCCOC2=C1 SC-26913 [1,0,0,1,0,0|1,0,1]=4 208 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 SC-44493 [1,0,0,1,0,0|1,0,1]=4 209 B12R2.1081 OC1CCCC2=C1C=CN=C2 SC-29515 [1,0,0,1,0,0|1,0,1]=4 210 B12R2.2057 C1=CC=C(OC[C@@H]2CO2)C=C1 SC-52606 [1,0,0,1,0,0|1,0,1]=4 211 B12R2.2057 C1=CC=C(OC[C@H]2CO2)C=C1 SC-52609 [1,0,0,1,0,0|1,0,1]=4 212 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 SC-42034 [1,0,0,1,0,0|2,0,0]=4 213 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 SC-19598 [0,0,0,1,1,0|0,0,2]=4 214 B12R2.24 O=C1CCC2=C(C=CN=C2)N1 SC-29738 [0,0,0,1,1,0|2,0,0]=4 215 B12R2.24 O=C1CCC2=C(C=NC=C2)N1 SC-29951 [0,0,0,1,1,0|2,0,0]=4 216 B12R2.24 OC1CCC2=C(C=CC=C2)C1 SC-26690 [0,0,0,1,1,0|1,0,1]=4 217 B12R2.3190 O=C(Cl)C1CC2=CC=CC=C21 SC-61000 [0,0,0,1,1,0|1,0,0]=3 218 B14R2.2 O=C(O)CC1=NOC2=CC=CC=C21 SC-65108 [0,0,0,1,0,1|1,0,1]=4 219 B14R2.2 O=C(O)CC1CCC2=C1C=CC=C2 SC-30355 [0,0,0,1,0,1|0,0,0]=2 220 B14R2.2 O=C(O)CN1C=NC2=C1C=CC=C2 SC-50346 [0,0,0,1,0,1|1,0,1]=4 221 B14R2.2 O=C(O)\C=C1/CCC2=C1C=CC=C2 SC-36336 [0,0,0,1,0,1|0,0,1]=3 222 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 SC-25251 [0,0,0,1,0,1|1,0,0]=3 223 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 SC-19534 [0,0,0,1,0,1|1,0,0]=3 224 B14R2.19 OC1CCN(CC2=CC=CC=C2)C1 SC-18235 [0,0,0,1,0,1|1,0,1]=4 225 B14R2.19 O[C@@H]1CCN(CC2=CC=CC=C2)C1 SC-08968 [0,0,0,1,0,1|1,0,1]=4 226 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CO1 SC-65525 [0,0,0,1,0,1|1,1,0]=4 227 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CO1 SC-14154 [0,0,0,1,0,1|1,1,0]=4 228 B14R2.21 O=C1CCCC(C2=CC=CC=C2)O1 SC-36252 [0,0,0,1,0,1|0,0,0]=2 229 B14R2.31359 O=C(O)C1CCOC2=CC=CC=C21 SC-22348 [0,0,0,1,0,1|0,0,0]=2 230 B14R2.68 O=C1CCC(C2=CC=CC=C2)CO1 SC-35883 [0,1,0,1,0,0|0,0,0]=2 231 B14R2.68 O=C1CCC(C2=NC=CC=C2)CC1 SC-49378 [0,1,0,1,0,0|2,0,0]=4 232 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 SC-20823 [0,1,0,1,0,0|2,0,0]=4 233 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 SC-77596 [0,1,0,1,0,0|1,0,0]=3 234 B14R2.287 O=C1CCC(=O)C2=CC=CC=C2N1 SC-96785 [0,1,0,1,0,0|1,0,1]=4 235 B14R2.25733 O=C1CC(C(=O)O)C2=CC=CC=C12 SC-03206 [0,1,0,1,0,0|0,0,1]=3 236 B14R2.22 CC1=CC(C2CNC(=O)C2)=CC=C1 SC-48820 [0,1,0,1,0,0|2,0,0]=4 237 B14R2.22 O=C1CC(C2=CC(Br)=CC=C2)CN1 SC-34709 [0,1,0,1,0,0|2,0,0]=4 238 B14R2.300 CC(=O)N1CCC2=C1C=CC(C)=C2 SC-57336 [0,1,0,1,0,0|2,0,0]=4 239 B14R2.300 CC(=O)N1CCC2=C1C=CC(Cl)=C2 SC-57327 [0,1,0,1,0,0|2,0,0]=4 240 B14R2.300 CC(=O)N1CCC2=C1C=CC(O)=C2 SC-49586 [0,1,0,1,0,0|2,0,0]=4 241 B14R2.8053 CC(=O)N1CCC2=C1C(C)=CC=C2 SC-57338 [0,1,0,1,0,0|2,0,0]=4 242 B14R2.8053 CC(=O)N1CCC2=C1C(Cl)=CC=C2 SC-61811 [0,1,0,1,0,0|2,0,0]=4 243 B14R2.256 CC1=CC=CC=C1C2CNC(=O)C2 SC-48747 [0,1,0,1,0,0|2,0,0]=4 244 B14R2.256 O=C1CC(C2=CC=CC=C2F)CN1 SC-48773 [0,1,0,1,0,0|2,0,0]=4 245 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)N1 SC-28729 [0,1,0,1,0,0|0,0,2]=4 246 B14R2.768 O=C(O)CC1=NC2=CC=CC=C2S1 SC-48720 [0,1,0,1,0,0|1,0,1]=4 247 B14R2.781 CC(=O)N1CCC2=CC=CC=C2C1 SC-36655 [0,1,0,1,0,0|2,0,0]=4 248 B14R2.781 O=C(Cl)C1CCC2=C(C=CC=C2)C1 SC-61009 [0,1,0,1,0,0|1,0,0]=3 249 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)NC1 SC-69256 [0,1,0,1,0,0|1,0,1]=4 250 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)OC1 SC-52044 [0,1,0,1,0,0|1,0,1]=4 251 B14R2.781 O=C(O)C1CCC2=CC=CC=C2N1 SC-49015 [0,1,0,1,0,0|0,0,0]=2 252 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 SC-06593 [0,1,0,1,0,0|1,0,0]=3 253 B14R2.781 O=C(O)[C@H]1CCC2=CC=CC=C2C1 SC-50071 [0,1,0,1,0,0|0,0,0]=2 254 B14R2.8032 CC(=O)N1CCC2=C1C=CC=C2Br SC-61813 [0,1,0,1,0,0|2,0,0]=4 255 B14R2.8032 CC(=O)N1CCC2=C1C=CC=C2Cl SC-57326 [0,1,0,1,0,0|2,0,0]=4 256 B14R2.8032 CC(=O)N1CCC2=C1C=CC=C2N SC-57319 [0,1,0,1,0,0|2,0,0]=4 257 B14R2.8032 NC1=CC=CC2=C1N=NC2C(=O)O SC-41798 [0,1,0,1,0,0|2,0,0]=4 258 B14R2.260 CC1CN(C2=CC=CC=C2)NC1=O SC-62205 [0,1,0,1,0,0|2,0,0]=4 259 B14R2.741 O=C1NC2=CC=CC=C2CCC1Br SC-16717 [0,1,0,1,0,0|1,0,0]=3 260 B14R2.9535 NC1(C(=O)O)CCC2=C1C=CC=C2 SC-86822 [0,1,0,1,0,0|0,0,0]=2 261 B14R2.20 CC1=CC=C(C2CCC(=O)O2)C=C1 SC-36106 [0,1,0,1,0,0|0,0,0]=2 262 B14R2.20 O=C1CCC(C2=CC=C(Br)C=C2)O1 SC-36132 [0,1,0,1,0,0|0,0,0]=2 263 B14R2.20 O=C1CCC(C2=CC=C(Cl)C=C2)O1 SC-36131 [0,1,0,1,0,0|0,0,0]=2 264 B14R2.20 O=C1CCC(C2=CC=C(F)C=C2)N1 SC-37835 [0,1,0,1,0,0|1,0,0]=3 265 B14R2.5816 CC(=O)N1CCC2=C1C=C(C)C=C2 SC-57337 [0,1,0,1,0,0|2,0,0]=4 266 B14R2.5816 CC(=O)N1CCC2=C1C=C(Cl)C=C2 SC-57328 [0,1,0,1,0,0|2,0,0]=4 267 B14R2.5816 NC1=CC2=C(C=C1)N=NC2C(=O)O SC-41698 [0,1,0,1,0,0|2,0,0]=4 268 B14R2.95 O=C(CBr)N1CCC2=C1C=CC=C2 SC-48703 [0,1,0,1,0,0|2,0,0]=4 269 B14R2.279 NC1C2=CC=CC=C2CCCC1O SC-35243 [0,1,0,1,0,0|1,0,1]=4 270 B10R1.18 CC(=O)CC1=CC=NC=C1 SC-22966 [0,0,0,0,2,0|2,0,0]=4 271 B10R1.18 NC(=O)CC1=CC=CC=C1 SC-19149 [0,0,0,0,2,0|1,0,0]=3 272 B10R1.18 NC(=O)CC1=CC=CN=C1 SC-52723 [0,0,0,0,2,0|2,0,0]=4 273 B10R1.66 O=C(O)CCC1=CC=CN1 SC-21976 [0,0,0,0,2,0|1,0,0]=3 274 B10R1.66 O=C(O)CCC1=NC=CS1 SC-43633 [0,0,0,0,2,0|2,0,0]=4 275 B14R1.422 CC(=O)C#CCOCC1=CC=CC=C1 SC-31720 [0,0,0,0,0,2|1,0,1]=4 276 B14R1.422 O=C(O)\C=C\CNCC1=CC=CC=C1 SC-35146 [0,0,0,0,0,2|0,0,1]=3