0 B12R1.252 O=C(O)CCCC1=CC=CC=C1 30722 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.252 O=C(O)CCCC1=CCC=CC1 24375 [0,0,0,0,0,0|0,0,2]=2 2 B12R1.252 O=C(O)CNCC1=CC=CC=C1 05637 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.252 O=C(O)CNCC1=CC=CC=C1 17126 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.252 O=C(O)COCC1=CC=CC=C1 28313 [0,0,0,0,0,0|1,0,0]=1 5 B12R1.252 O=C(O)C\C=C\C1=CC=CC=C1 22384 [0,0,0,0,0,0|0,0,2]=2 6 B11R1.28 BrCCOCC1=CC=CC=C1 14427 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.28 CNCCCC1=CC=CC=C1 23460 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.28 OCCOCC1=CC=CC=C1 21183 [1,0,0,0,0,0|1,0,1]=3 9 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 01175 [0,1,0,0,0,0|1,0,1]=3 10 B13R1.45 O=C([O-])CNC(=O)C1=CC=CC=C1 01176 [0,1,0,0,0,0|1,0,2]=4 11 B13R1.149 O=C(O)CCOC1=CC=CC(Cl)=C1 20059 [0,1,0,0,0,0|1,0,0]=2 12 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 15212 [0,1,0,0,0,0|0,0,0]=1 13 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CN=C1 15278 [0,1,0,0,0,0|1,0,0]=2 14 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=NC=C1 15281 [0,1,0,0,0,0|1,0,0]=2 15 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 12743 [0,1,0,0,0,0|0,0,0]=1 16 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O 07063 [0,1,0,0,0,0|0,0,0]=1 17 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O 02577 [0,1,0,0,0,0|0,0,0]=1 18 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O 15002 [0,1,0,0,0,0|0,0,0]=1 19 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O 02578 [0,1,0,0,0,0|0,0,0]=1 20 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O 24757 [0,1,0,0,0,0|0,0,0]=1 21 B13R1.513 CC1=CC=C(CCCC(=O)O)C=C1 25011 [0,1,0,0,0,0|0,0,0]=1 22 B13R1.513 O=C(O)CCOC1=CC=C(F)C=C1 24666 [0,1,0,0,0,0|1,0,0]=2 23 B13R1.718 COC(=O)CNCC1=CC=CC=C1 11912 [0,1,0,0,0,0|1,0,0]=2 24 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 03219 [0,1,0,0,0,0|2,0,1]=4 25 B13R1.718 N[C@H](CO)CSCC1=CC=CC=C1 03181 [0,1,0,0,0,0|2,0,1]=4 26 B13R1.718 OC[C@@H](O)COCC1=CC=CC=C1 10606 [0,1,0,0,0,0|1,0,2]=4 27 B13R1.718 OC[C@H](O)COCC1=CC=CC=C1 10551 [0,1,0,0,0,0|1,0,2]=4 28 B13R1.3523 O=S(=O)([O-])CCC[N+]1=CC=CC=C1 27768 [0,1,0,0,0,0|2,0,1]=4 29 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 16615 [0,0,0,1,0,0|2,0,0]=3 30 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 16578 [0,0,0,1,0,0|2,0,0]=3 31 B13R2.72 CC(=O)N1CCC2=C1C=CC=C2 21555 [0,0,0,1,0,0|2,0,0]=3 32 B13R2.72 O=C(O)C1=CNC2=C1C=CC=C2 21865 [0,0,0,1,0,0|1,0,2]=4 33 B13R2.72 O=C(O)C1=NNC2=CC=CC=C21 28202 [0,0,0,1,0,0|2,0,1]=4 34 B13R2.72 O=C(O)C1NCC2=C1C=CC=C2 07177 [0,0,0,1,0,0|1,0,0]=2 35 B13R2.163 O=C1CCCC2=CC=CC=C2N1 17373 [0,0,0,1,0,0|1,0,0]=2 36 B11R1.91 CC(=O)NCC1=CC=CC=C1 24146 [0,0,0,0,1,0|2,0,0]=3 37 B11R1.91 CC(=O)OCC1=CC=CC=C1 27188 [0,0,0,0,1,0|2,0,0]=3 38 B11R1.91 NC(=O)OCC1=CC=CC=C1 27153 [0,0,0,0,1,0|2,0,0]=3 39 B11R1.91 O=C(O)C#CC1=CC=CC=C1 22061 [0,0,0,0,1,0|0,0,2]=3 40 B11R1.91 O=C(O)CCC1=CC=CC=C1 25774 [0,0,0,0,1,0|0,0,0]=1 41 B11R1.91 O=C(O)CNC1=CC=CC=C1 03076 [0,0,0,0,1,0|1,0,0]=2 42 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 01532 [0,0,0,0,1,0|0,0,2]=3 43 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 27055 [0,0,0,0,1,0|1,0,2]=4 44 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 28730 [0,0,0,0,1,0|1,0,2]=4 45 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 28144 [0,0,0,0,1,0|1,0,2]=4 46 B11R1.91 O=C([O-])COC1=CC=CC=C1 01413 [0,0,0,0,1,0|1,0,1]=3 47 B13R1.337 O=C(Cl)OCCOC1=CC=CC=C1 26125 [0,0,0,0,0,1|2,0,0]=3 48 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 25877 [0,0,0,0,0,1|0,0,0]=1 49 B10R1.17 CCCCC1=CC=CC=C1 27221 [2,0,0,0,0,0|0,0,1]=3 50 B10R1.17 CCCC[N+]1=CC=CC=C1 31412 [2,0,0,0,0,0|1,0,1]=4 51 B10R1.17 CCCC[N+]1=CC=CC=C1 31413 [2,0,0,0,0,0|1,0,1]=4 52 B10R1.17 CNCCC1=CC=CC=C1 23237 [2,0,0,0,0,0|1,0,1]=4 53 B10R1.17 ClCOCC1=CC=CC=C1 00728 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.17 O=C\C=C\C1=CC=CC=C1 24523 [2,0,0,0,0,0|0,0,2]=4 55 B10R1.17 OCC#CC1=CC=CC=C1 27592 [2,0,0,0,0,0|0,0,2]=4 56 B12R1.8 CNCCCCC1=CC=CC=C1 23811 [1,1,0,0,0,0|1,0,1]=4 57 B12R1.8 ClCCCCCC1=CC=CC=C1 22329 [1,1,0,0,0,0|1,0,1]=4 58 B12R1.8 ClCCCCOC1=CC=CC=C1 22399 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 25777 [0,1,0,0,1,0|0,0,0]=2 60 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 29066 [0,1,0,0,1,0|1,0,0]=3 61 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 25775 [0,1,0,0,1,0|0,0,0]=2 62 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 25776 [0,1,0,0,1,0|0,0,0]=2 63 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 05284 [0,1,0,0,1,0|0,0,0]=2 64 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 01471 [0,1,0,0,1,0|1,0,0]=3 65 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 24940 [0,1,0,0,1,0|0,0,2]=4 66 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O 23228 [0,1,0,0,1,0|1,0,0]=3 67 B12R1.43 CC(OC1=CC=CC=C1)C(N)=O 23313 [0,1,0,0,1,0|2,0,0]=4 68 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 08461 [0,1,0,0,1,0|1,0,0]=3 69 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 03113 [0,1,0,0,1,0|1,0,0]=3 70 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 06180 [0,1,0,0,1,0|1,0,0]=3 71 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 03114 [0,1,0,0,1,0|1,0,0]=3 72 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 05994 [0,1,0,0,1,0|1,0,0]=3 73 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 00710 [0,1,0,0,1,0|0,0,0]=2 74 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O 07082 [0,1,0,0,1,0|1,0,0]=3 75 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O 06213 [0,1,0,0,1,0|1,0,0]=3 76 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 00243 [0,1,0,0,1,0|0,0,0]=2 77 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O 02853 [0,1,0,0,1,0|1,0,0]=3 78 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O 06924 [0,1,0,0,1,0|1,0,0]=3 79 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O 06211 [0,1,0,0,1,0|1,0,0]=3 80 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O 00244 [0,1,0,0,1,0|0,0,0]=2 81 B12R1.43 N[C@H](CC1=CC=CC=N1)C(=O)O 06212 [0,1,0,0,1,0|1,0,0]=3 82 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O 06217 [0,1,0,0,1,0|1,0,0]=3 83 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O 06925 [0,1,0,0,1,0|1,0,0]=3 84 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 08027 [0,1,0,0,1,0|0,0,0]=2 85 B12R1.43 O=C(O)C(O)CC1=CN=CC=C1 11562 [0,1,0,0,1,0|1,0,0]=3 86 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 09427 [0,1,0,0,1,0|0,0,0]=2 87 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 08031 [0,1,0,0,1,0|0,0,0]=2 88 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 21660 [0,1,0,0,1,0|0,0,2]=4 89 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 02274 [0,1,0,0,1,0|1,0,1]=4 90 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 29996 [0,1,0,0,1,0|0,0,0]=2 91 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 11563 [0,1,0,0,1,0|1,0,0]=3 92 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 15326 [0,1,0,0,1,0|0,0,0]=2 93 B12R1.107 N[C@@H](CC(=O)O)C1=CN=CC=C1 15205 [0,1,0,0,1,0|1,0,0]=3 94 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 15327 [0,1,0,0,1,0|0,0,0]=2 95 B12R1.107 N[C@H](CC(=O)O)C1=CN=CC=C1 15220 [0,1,0,0,1,0|1,0,0]=3 96 B12R1.125 O=C(O)CCC1=C(O)C=CC=C1 27370 [0,1,0,0,1,0|0,0,0]=2 97 B12R1.226 O=C(O)COC1=CC(Cl)=CC=C1 17094 [0,1,0,0,1,0|1,0,0]=3 98 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 25745 [0,1,0,0,1,0|1,0,1]=4 99 B12R1.260 N[C@@H](CC(=O)O)CC1=CC=CS1 15393 [0,1,0,0,1,0|1,0,0]=3 100 B12R1.260 N[C@@H](CC(=O)O)CC1=CSC=C1 15328 [0,1,0,0,1,0|1,0,0]=3 101 B12R1.260 N[C@H](CC(=O)O)CC1=CC=CO1 15402 [0,1,0,0,1,0|1,0,0]=3 102 B12R1.260 N[C@H](CC(=O)O)CC1=CC=CS1 15323 [0,1,0,0,1,0|1,0,0]=3 103 B12R1.260 N[C@H](CC(=O)O)CC1=CSC=C1 15396 [0,1,0,0,1,0|1,0,0]=3 104 B14R1.148 O=C(O)CCCOC1=CC=CC(Cl)=C1 20181 [0,1,0,0,0,1|0,0,0]=2 105 B14R1.423 O=C(O)CNC(=O)CC1=CC=CC=C1 09702 [0,1,0,0,0,1|0,0,1]=3 106 B14R1.677 CC(=O)NCCSC1=CC=C(O)C=C1 21118 [0,1,0,0,0,1|2,0,0]=4 107 B14R1.677 CC1=CC=C(CCCCC(=O)O)C=C1 21373 [0,1,0,0,0,1|0,0,0]=2 108 B14R1.677 CC1=CC=C(CSCCC(=O)O)C=C1 02724 [0,1,0,0,0,1|0,0,0]=2 109 B14R1.677 O=C(O)CCCOC1=CC=C(Br)C=C1 25879 [0,1,0,0,0,1|0,0,0]=2 110 B14R1.677 O=C(O)CCCOC1=CC=C(Cl)C=C1 25878 [0,1,0,0,0,1|0,0,0]=2 111 B14R1.818 N[C@@H](CCC1=CC=CC=C1)CC(=O)O 15236 [0,1,0,0,0,1|0,0,0]=2 112 B14R1.818 N[C@H](CCC1=CC=CC=C1)CC(=O)O 15213 [0,1,0,0,0,1|0,0,0]=2 113 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O 12385 [0,1,0,0,0,1|0,0,0]=2 114 B14R1.6449 N[C@@H](CCCC1=CC=CC=C1)C(=O)O 15734 [0,1,0,0,0,1|0,0,0]=2 115 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O 03137 [0,1,0,0,0,1|0,0,0]=2 116 B14R1.6449 N[C@@H](CSCC1=CC=CC=C1)C(=O)O 03047 [0,1,0,0,0,1|0,0,0]=2 117 B14R1.6449 N[C@@H](C\C=C\C1=CC=CC=C1)C(=O)O 07444 [0,1,0,0,0,1|0,0,1]=3 118 B14R1.6449 N[C@H](CCCC1=CC=CC=C1)C(=O)O 15735 [0,1,0,0,0,1|0,0,0]=2 119 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O 03313 [0,1,0,0,0,1|0,0,0]=2 120 B14R1.6449 N[C@H](CSCC1=CC=CC=C1)C(=O)O 03048 [0,1,0,0,0,1|0,0,0]=2 121 B14R1.6449 N[C@H](C\C=C\C1=CC=CC=C1)C(=O)O 07445 [0,1,0,0,0,1|0,0,1]=3 122 B14R1.149 CC1=CC(C(=O)NCC(=O)O)=CC=C1 21228 [0,2,0,0,0,0|1,0,1]=4 123 B14R1.160 CC1=CC=CC=C1C(=O)NCC(=O)O 21218 [0,2,0,0,0,0|1,0,1]=4 124 B14R1.160 NC1=C(C(=O)NCC(=O)O)C=CC=C1 10652 [0,2,0,0,0,0|1,0,1]=4 125 B14R1.415 C[C@@H](NC(=O)C1=CC=CC=C1)C(=O)O 03018 [0,2,0,0,0,0|1,0,1]=4 126 B14R1.415 C[C@H](NC(=O)C1=CC=CC=C1)C(=O)O 03017 [0,2,0,0,0,0|1,0,1]=4 127 B14R1.678 CC1=CC=C(C(=O)NCC(=O)O)C=C1 21219 [0,2,0,0,0,0|1,0,1]=4 128 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Br)C=C1 24654 [0,2,0,0,0,0|0,0,1]=3 129 B14R1.678 O=C(O)CCC(=O)C1=CC=C(F)C=C1 24857 [0,2,0,0,0,0|0,0,1]=3 130 B14R1.678 O=C(O)CNC(=O)C1=CC=C(O)C=C1 09717 [0,2,0,0,0,0|1,0,1]=4 131 B14R1.5978 CC1=CC(C[C@@H](N)CC(=O)O)=CC=C1 15293 [0,2,0,0,0,0|0,0,0]=2 132 B14R1.5978 CC1=CC(C[C@H](N)CC(=O)O)=CC=C1 15341 [0,2,0,0,0,0|0,0,0]=2 133 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(Cl)=C1 15500 [0,2,0,0,0,0|0,0,0]=2 134 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(F)=C1 15507 [0,2,0,0,0,0|0,0,0]=2 135 B14R1.5978 N[C@H](CC(=O)O)CC1=CC=CC(Cl)=C1 15412 [0,2,0,0,0,0|0,0,0]=2 136 B14R1.5978 N[C@H](CC(=O)O)CC1=CC=CC(F)=C1 15424 [0,2,0,0,0,0|0,0,0]=2 137 B14R1.337 CC1=CC=CC=C1C[C@@H](N)CC(=O)O 15290 [0,2,0,0,0,0|0,0,0]=2 138 B14R1.337 CC1=CC=CC=C1C[C@H](N)CC(=O)O 15338 [0,2,0,0,0,0|0,0,0]=2 139 B14R1.337 N[C@@H](CC(=O)O)CC1=C(Br)C=CC=C1 15513 [0,2,0,0,0,0|0,0,0]=2 140 B14R1.337 N[C@@H](CC(=O)O)CC1=C(Cl)C=CC=C1 15266 [0,2,0,0,0,0|0,0,0]=2 141 B14R1.337 N[C@@H](CC(=O)O)CC1=CC=CC=C1F 15505 [0,2,0,0,0,0|0,0,0]=2 142 B14R1.337 N[C@H](CC(=O)O)CC1=C(Br)C=CC=C1 15512 [0,2,0,0,0,0|0,0,0]=2 143 B14R1.337 N[C@H](CC(=O)O)CC1=CC=CC=C1F 15259 [0,2,0,0,0,0|0,0,0]=2 144 B14R1.425 C[C@@H](C(=O)O)N(C)CC1=CC=CC=C1 06729 [0,2,0,0,0,0|1,0,0]=3 145 B14R1.425 N[C@@H](CC1=CC=CC=C1)[C@H](O)C(=O)O 07163 [0,2,0,0,0,0|0,0,0]=2 146 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@@H](O)C(=O)O 16851 [0,2,0,0,0,0|0,0,0]=2 147 B14R1.698 CC1=CC=C(C[C@@H](N)CC(=O)O)C=C1 15226 [0,2,0,0,0,0|0,0,0]=2 148 B14R1.698 CC1=CC=C(C[C@H](N)CC(=O)O)C=C1 15344 [0,2,0,0,0,0|0,0,0]=2 149 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Br)C=C1 15518 [0,2,0,0,0,0|0,0,0]=2 150 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Cl)C=C1 15503 [0,2,0,0,0,0|0,0,0]=2 151 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(F)C=C1 15510 [0,2,0,0,0,0|0,0,0]=2 152 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(I)C=C1 15284 [0,2,0,0,0,0|0,0,0]=2 153 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Br)C=C1 15333 [0,2,0,0,0,0|0,0,0]=2 154 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Cl)C=C1 15415 [0,2,0,0,0,0|0,0,0]=2 155 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(F)C=C1 15427 [0,2,0,0,0,0|0,0,0]=2 156 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(I)C=C1 15372 [0,2,0,0,0,0|0,0,0]=2 157 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(O)C=C1 15498 [0,2,0,0,0,0|0,0,0]=2 158 B14R1.679 N[C@@H](CCC1=CC=C(O)C=C1)C(=O)O 05125 [0,2,0,0,0,0|0,0,0]=2 159 B14R1.679 N[C@H](CCC1=CC=C(O)C=C1)C(=O)O 05126 [0,2,0,0,0,0|0,0,0]=2 160 B14R1.756 COC(=O)C(N)CCC1=CC=CC=C1 14287 [0,2,0,0,0,0|0,0,0]=2 161 B14R1.756 COC(=O)[C@@H](C)NCC1=CC=CC=C1 11908 [0,2,0,0,0,0|1,0,0]=3 162 B14R1.756 COC(=O)[C@H](C)NCC1=CC=CC=C1 11906 [0,2,0,0,0,0|1,0,0]=3 163 B14R1.4194 O=C(O)[C@H](CO)NCC1=CC=CC=C1 05644 [0,2,0,0,0,0|1,0,0]=3 164 B14R1.4 O=C(O)CCOC1=CC=C(CO)C=C1 05342 [0,2,0,0,0,0|1,0,0]=3 165 B14R1.13 O=C(CI)NCCC1=CC=C(O)C=C1 23038 [0,2,0,0,0,0|2,0,0]=4 166 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 23245 [0,2,0,0,0,0|0,0,0]=2 167 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 24545 [0,2,0,0,0,0|1,0,0]=3 168 B14R1.520 CCOC(=O)\C=C/CC1=CC=CC=C1 24380 [0,2,0,0,0,0|0,0,2]=4 169 B14R1.520 CCOC(=O)\C=C\CC1=CC=CC=C1 24287 [0,2,0,0,0,0|0,0,2]=4 170 B12R2.1 NCC1CCC2=C1C=CC=C2 19369 [1,0,0,1,0,0|1,0,1]=4 171 B12R2.2 C1=CC=C(C2CCCN2)C=C1 23494 [1,0,0,1,0,0|1,0,1]=4 172 B12R2.2 C1=CC=C(C2CCNC2)C=C1 23419 [1,0,0,1,0,0|2,0,0]=4 173 B12R2.1081 O=C1CCCC2=C1C=CC=N2 18148 [1,0,0,1,0,0|1,0,0]=3 174 B12R2.1081 O=C1CCNC2=C1C=CC=C2 17242 [1,0,0,1,0,0|1,0,0]=3 175 B12R2.1081 O=C1CCOC2=C1C=CC=C2 24650 [1,0,0,1,0,0|1,0,0]=3 176 B12R2.1081 O=C1NCCC2=C1C=CC=C2 20083 [1,0,0,1,0,0|1,0,0]=3 177 B12R2.1081 OC1CCCC2=CC=CC=C21 26786 [1,0,0,1,0,0|0,0,1]=3 178 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 18446 [0,0,0,1,1,0|2,0,0]=4 179 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 14365 [0,0,0,1,1,0|1,0,0]=3 180 B12R2.24 O=C1CCC2=C(N=CC=C2)N1 20082 [0,0,0,1,1,0|2,0,0]=4 181 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 17342 [0,0,0,1,1,0|2,0,0]=4 182 B12R2.24 O=C1COC2=C(C=CC=C2)N1 24676 [0,0,0,1,1,0|2,0,0]=4 183 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 25858 [0,0,0,1,1,0|2,0,0]=4 184 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 00188 [0,0,0,1,0,1|0,0,2]=4 185 B14R2.2 O=C(O)CN1N=CC2=CC=CC=C21 18195 [0,0,0,1,0,1|1,0,1]=4 186 B14R2.2 O=C(O)CN1N=NC2=CC=CC=C21 17088 [0,0,0,1,0,1|2,0,0]=4 187 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 31373 [0,0,0,1,0,1|1,0,0]=3 188 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 16606 [0,0,0,1,0,1|1,0,0]=3 189 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 16513 [0,0,0,1,0,1|1,0,0]=3 190 B14R2.21 O=C1CCCC(C2=CC=CC=C2)C1 18038 [0,0,0,1,0,1|1,0,0]=3 191 B14R2.31359 O=C(O)C1CCCC2=C1C=CC=C2 17416 [0,0,0,1,0,1|0,0,0]=2 192 B14R2.31359 O=C(O)C1NCCC2=C1C=CC=C2 17415 [0,0,0,1,0,1|0,0,0]=2 193 B14R2.31359 O=C(O)C1OCCC2=C1C=CC=C2 23283 [0,0,0,1,0,1|0,0,0]=2 194 B14R2.31359 O=C(O)[C@@H]1CCCC2=C1C=CC=C2 23181 [0,0,0,1,0,1|0,0,0]=2 195 B14R2.31359 O=C(O)[C@H]1CCCC2=C1C=CC=C2 23180 [0,0,0,1,0,1|0,0,0]=2 196 B14R2.31359 O=C(O)[C@H]1NCCC2=C1C=CC=C2 17853 [0,0,0,1,0,1|0,0,0]=2 197 B14R2.68 O=C1CCC(C2=CC=CC=C2)=NN1 26065 [0,1,0,1,0,0|1,0,1]=4 198 B14R2.300 CC(=O)N1CCC2=C1C=CC(Br)=C2 21719 [0,1,0,1,0,0|2,0,0]=4 199 B14R2.768 O=C(O)CC1=NC2=CC=CC=C2N1 17130 [0,1,0,1,0,0|1,0,1]=4 200 B14R2.768 O=C(O)CC1CC2=C(C=CC=C2)C1 17793 [0,1,0,1,0,0|0,0,0]=2 201 B14R2.768 O=C(O)CN1C=C2C=CC=CC2=N1 18196 [0,1,0,1,0,0|1,0,1]=4 202 B14R2.781 NC(=O)C1CC2=C(C=CC=C2)CN1 18438 [0,1,0,1,0,0|2,0,0]=4 203 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)OC1 17110 [0,1,0,1,0,0|1,0,1]=4 204 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CN1 12373 [0,1,0,1,0,0|1,0,0]=3 205 B14R2.781 O=C(O)C1CCC2=C(C=CC=C2)N1 18442 [0,1,0,1,0,0|0,0,0]=2 206 B14R2.781 O=C(O)C1CNC2=CC=CC=C2C1 18444 [0,1,0,1,0,0|1,0,0]=3 207 B14R2.781 O=C(O)C1COC2=CC=CC=C2C1 17781 [0,1,0,1,0,0|1,0,0]=3 208 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 02597 [0,1,0,1,0,0|1,0,0]=3 209 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 24269 [0,1,0,1,0,0|1,0,0]=3 210 B14R2.781 O=C(O)[C@H]1CC2=C(C=CC=C2)CN1 02598 [0,1,0,1,0,0|1,0,0]=3 211 B14R2.781 O=C(O)[C@H]1CCC2=C(C=CC=C2)N1 18324 [0,1,0,1,0,0|0,0,0]=2 212 B14R2.741 NC1CCC2=C(C=CC=C2)NC1=O 17459 [0,1,0,1,0,0|1,0,0]=3 213 B14R2.741 O=C1NC2=CC=CC=C2CCC1Br 17036 [0,1,0,1,0,0|1,0,0]=3 214 B14R2.5816 CC(=O)N1CCC2=C1C=C(N)C=C2 26093 [0,1,0,1,0,0|2,0,0]=4 215 B14R2.95 COC(=O)C1CNC2=C1C=CC=C2 19932 [0,1,0,1,0,0|1,0,0]=3 216 B10R1.18 CC(=O)CC1=CN=CC=C1 19862 [0,0,0,0,2,0|2,0,0]=4 217 B10R1.18 CC(=O)CC1=NC=CC=C1 17928 [0,0,0,0,2,0|2,0,0]=4 218 B10R1.18 CC(=O)NC1=CC=CC=C1 06813 [0,0,0,0,2,0|2,0,0]=4 219 B10R1.18 O=C(O)CC1=CC=CN=C1 27783 [0,0,0,0,2,0|1,0,0]=3 220 B10R1.18 O=C(O)CC1=CC=NC=C1 28780 [0,0,0,0,2,0|1,0,0]=3 221 B10R1.66 O=C(O)CCC1=CNC=N1 11073 [0,0,0,0,2,0|2,0,0]=4 222 B10R1.66 O=C(O)CCN1C=CN=C1 17197 [0,0,0,0,2,0|2,0,0]=4