0 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 B52541 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 B52417 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.27 COC(=O)CCC1=CC=CC=C1 M39604 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 B53141 [0,0,0,0,0,0|1,0,2]=3 4 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 B67328 [0,0,0,0,0,0|1,0,2]=3 5 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 B53085 [0,0,0,0,0,0|1,0,2]=3 6 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 B53140 [0,0,0,0,0,0|1,0,2]=3 7 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 B52666 [0,0,0,0,0,0|2,0,2]=4 8 B11R1.28 BrCCCCC1=CC=CC=C1 B52867 [1,0,0,0,0,0|1,0,1]=3 9 B11R1.28 BrCCCOC1=CC=CC=C1 B39545 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.28 BrCCOCC1=CC=CC=C1 B19978 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.28 C#CCOCC1=CC=CC=C1 P52414 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.28 C=CCOCC1=CC=CC=C1 A52780 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.28 CCCCCC1=CC=CN=C1 P53110 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.28 CCCCCC1=NC=CC=C1 P53109 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.28 CCCNCC1=CC=CC=C1 B22211 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.28 N#CCNCC1=CC=CC=C1 B49709 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.28 NCCOCC1=CC=CC=C1 B50339 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.28 NCCOCC1=CC=CC=C1 B52169 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.28 O=CCCOC1=CC=CC=C1 P49880 [1,0,0,0,0,0|1,0,0]=2 20 B11R1.28 O=CCOCC1=CC=CC=C1 B24494 [1,0,0,0,0,0|1,0,0]=2 21 B11R1.28 OCCCCC1=CC=CC=C1 P69087 [1,0,0,0,0,0|0,0,2]=3 22 B11R1.28 OCCCCC1=CC=NC=C1 P50342 [1,0,0,0,0,0|1,0,2]=4 23 B11R1.28 OCCCCC1=CN=CC=C1 P50341 [1,0,0,0,0,0|1,0,2]=4 24 B11R1.28 OCCCCC1=NC=CC=C1 P50340 [1,0,0,0,0,0|1,0,2]=4 25 B11R1.28 OCCOCC1=CC=CC=C1 B24595 [1,0,0,0,0,0|1,0,2]=4 26 B11R1.91 CC(=O)NNC1=CC=CC=C1 P69088 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 P68564 [1,0,0,0,0,0|0,0,3]=4 28 B11R1.91 NC(=O)CSC1=CC=CC=C1 P10024 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.91 NC(=O)OCC1=CC=CC=C1 B37832 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 H52037 [1,0,0,0,0,0|1,0,1]=3 31 B11R1.91 O=C(O)CCC1=NC=CC=C1 P49281 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.91 O=C(O)CNC1=CC=CC=C1 P68874 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 N69452 [1,0,0,0,0,0|2,0,0]=3 34 B11R1.91 OB(O)CCC1=CC=CC=C1 P4926 [1,0,0,0,0,0|2,0,1]=4 35 B13R1.351 C[C@@H](OCC1=CC=CC=C1)C(=O)O B67100 [0,1,0,0,0,0|1,0,0]=2 36 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O B52822 [0,1,0,0,0,0|1,0,0]=2 37 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O B65085 [0,1,0,0,0,0|1,0,0]=2 38 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O A38614 [0,1,0,0,0,0|1,0,0]=2 39 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O A61136 [0,1,0,0,0,0|2,0,0]=3 40 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 X52456 [0,1,0,0,0,0|1,0,1]=3 41 B13R1.351 O=C(O)[C@@H](Br)CCC1=CC=CC=C1 B65537 [0,1,0,0,0,0|1,0,0]=2 42 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 H52834 [0,1,0,0,0,0|1,0,0]=2 43 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 H61047 [0,1,0,0,0,0|1,0,0]=2 44 B13R1.417 BrCC(CBr)OCC1=CC=CC=C1 D67115 [0,1,0,0,0,0|2,0,1]=4 45 B13R2.10 C[C@H]1CCC(C2=CC=CC=C2)N1 M30077 [0,0,0,1,0,0|2,0,1]=4 46 B13R2.32 CN1C=CC2=C(C=CC=C2)C1=O M53906 [0,0,0,1,0,0|1,0,2]=4 47 B13R2.32 C[C@H]1CCC2=C(C=CC=C2)C1=O M54547 [0,0,0,1,0,0|0,0,0]=1 48 B13R2.32 NC1CCC2=C(C=CC=C2)C1O A37316 [0,0,0,1,0,0|1,0,2]=4 49 B13R2.32 O=C1C2=C(C=CC=C2)CC[C@@H]1Br B54045 [0,0,0,1,0,0|1,0,0]=2 50 B13R2.57 CN[C@H]1CNC2=C(C=CC=C2)C1 M65198 [0,0,0,1,0,0|3,0,0]=4 51 B13R2.57 CN[C@H]1CNC2=C(C=CC=C2)C1 M67244 [0,0,0,1,0,0|3,0,0]=4 52 B13R2.57 NC[C@H]1CCC2=C(C=CC=C2)O1 C54146 [0,0,0,1,0,0|2,0,1]=4 53 B13R2.57 NC[C@H]1CCC2=C(C=CC=C2)O1 C54148 [0,0,0,1,0,0|2,0,1]=4 54 B13R2.57 O=C[C@@H]1COC2=C(C=CC=C2)O1 D36985 [0,0,0,1,0,0|2,0,0]=3 55 B13R2.57 OC[C@@H]1CC2=C(C=CC=C2)CN1 T52935 [0,0,0,1,0,0|1,0,2]=4 56 B13R2.57 OC[C@H]1CC2=C(C=CC=C2)CN1 T24630 [0,0,0,1,0,0|1,0,2]=4 57 B13R2.57 OC[C@H]1CC2=C(C=CC=C2)CN1 T52934 [0,0,0,1,0,0|1,0,2]=4 58 B13R2.57 OC[C@H]1CCC2=C(C=CC=C2)N1 T36847 [0,0,0,1,0,0|1,0,2]=4 59 B13R2.2383 C1=CC=C(CNC2COC2)C=C1 B56557 [0,0,0,1,0,0|1,0,2]=4 60 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 B67749 [0,0,0,1,0,0|2,0,1]=4 61 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 P52407 [0,0,0,0,1,0|2,0,1]=4 62 B11R1.40 C[C@@H](C#N)NC1=CC=CC=C1 P38171 [0,0,0,0,1,0|2,0,1]=4 63 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 P69082 [0,0,0,0,1,0|1,0,2]=4 64 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 A38136 [0,0,0,0,1,0|1,0,2]=4 65 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P64903 [0,0,0,0,1,0|1,0,2]=4 66 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 B50151 [0,0,0,0,1,0|1,0,2]=4 67 B11R1.40 OC[C@@H](Cl)CC1=CC=CC=C1 C50161 [0,0,0,0,1,0|1,0,2]=4 68 B13R1.718 C[C@H](CBr)COCC1=CC=CC=C1 B54911 [0,0,0,0,0,1|1,0,1]=3 69 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 A54199 [0,0,0,0,0,1|1,0,2]=4 70 B13R1.718 OC[C@H](O)COCC1=CC=CC=C1 B53094 [0,0,0,0,0,1|1,0,2]=4 71 B13R1.718 O[C@@H](CCl)CNCC1=CC=CC=C1 B67106 [0,0,0,0,0,1|2,0,1]=4 72 B13R1.718 O[C@H](CCl)CNCC1=CC=CC=C1 B67107 [0,0,0,0,0,1|2,0,1]=4 73 B13R1.718 O[C@H](CCl)COCC1=CC=CC=C1 C60793 [0,0,0,0,0,1|2,0,1]=4 74 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [2,0,0,0,0,0|1,0,0]=3 75 B10R1.17 BrCCOC1=CC=CC=C1 B68804 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.17 C#CCCC1=CC=CC=C1 P62501 [2,0,0,0,0,0|0,0,2]=4 77 B10R1.17 C=CCOC1=CC=CC=C1 A68573 [2,0,0,0,0,0|1,0,1]=4 78 B10R1.17 C=COCC1=CC=CC=C1 B26636 [2,0,0,0,0,0|1,0,1]=4 79 B10R1.17 CCCCC1=CC=NC=C1 B50306 [2,0,0,0,0,0|1,0,0]=3 80 B10R1.17 CCCC[N+]1=CC=CC=C1 B52268 [2,0,0,0,0,0|1,0,0]=3 81 B10R1.17 CCCOC1=CC=CC=C1 P50263 [2,0,0,0,0,0|1,0,0]=3 82 B10R1.17 CCNCC1=CC=CC=C1 B39547 [2,0,0,0,0,0|1,0,0]=3 83 B10R1.17 CCNCC1=NC=CC=C1 P46970 [2,0,0,0,0,0|2,0,0]=4 84 B10R1.17 CCOCC1=CC=CC=C1 E50267 [2,0,0,0,0,0|1,0,0]=3 85 B10R1.17 CNCCC1=CC=CN=C1 M46974 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.17 ClCCOC1=CC=CC=C1 C39521 [2,0,0,0,0,0|2,0,0]=4 87 B10R1.17 ClCCSC1=CC=CC=C1 C49161 [2,0,0,0,0,0|2,0,0]=4 88 B10R1.17 NCCCC1=CC=NC=C1 P46966 [2,0,0,0,0,0|2,0,0]=4 89 B10R1.17 NCCNC1=CC=CC=C1 P61733 [2,0,0,0,0,0|2,0,0]=4 90 B10R1.17 NCCOC1=CC=CC=C1 P46889 [2,0,0,0,0,0|2,0,0]=4 91 B10R1.17 O=CC#CC1=CC=CC=C1 P68152 [2,0,0,0,0,0|0,0,2]=4 92 B10R1.17 OCCCC1=CC=NC=C1 P46905 [2,0,0,0,0,0|1,0,1]=4 93 B10R1.17 OCCCC1=NC=CC=C1 P62447 [2,0,0,0,0,0|1,0,1]=4 94 B10R1.17 OCCCC1=NC=CC=C1 P7829 [2,0,0,0,0,0|1,0,1]=4 95 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [2,0,0,0,0,0|1,0,0]=3 96 B12R1.1 CCCCCC1=CC=C(Br)C=C1 B4837 [1,1,0,0,0,0|1,0,1]=4 97 B12R1.1 CCCCCC1=CC=C([Mg+])C=C1 P31797 [1,1,0,0,0,0|1,0,1]=4 98 B12R1.1 FC1=CC=C(CCCCCl)C=C1 C52680 [1,1,0,0,0,0|1,0,1]=4 99 B12R1.1 NCCCCC1=CC=C(Cl)C=C1 C53068 [1,1,0,0,0,0|1,0,1]=4 100 B12R1.8 BrCCCCOC1=CC=CC=C1 B53012 [1,1,0,0,0,0|1,0,1]=4 101 B12R1.8 BrCCCOCC1=CC=CC=C1 B53016 [1,1,0,0,0,0|1,0,1]=4 102 B12R1.8 NCCCNCC1=CC=CC=C1 B53178 [1,1,0,0,0,0|1,0,1]=4 103 B12R1.8 NCCCOCC1=CC=CC=C1 B53135 [1,1,0,0,0,0|1,0,1]=4 104 B12R1.8 O=CCCOCC1=CC=CC=C1 B1995 [1,1,0,0,0,0|0,0,0]=2 105 B12R1.8 OCCCNCC1=CC=CC=C1 B53134 [1,1,0,0,0,0|0,0,2]=4 106 B12R1.8 OCCCOCC1=CC=CC=C1 B53086 [1,1,0,0,0,0|0,0,2]=4 107 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 A54196 [1,1,0,0,0,0|0,0,2]=4 108 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 A60951 [1,1,0,0,0,0|0,0,2]=4 109 B12R1.30 O=CNCC(=O)C1=CC=CC=C1 X51780 [1,1,0,0,0,0|1,0,1]=4 110 B12R1.252 CC(=O)COCC1=CC=CC=C1 B22478 [1,1,0,0,0,0|1,0,0]=3 111 B12R1.252 O=C(O)CCCC1=NC=CC=C1 P50052 [1,1,0,0,0,0|1,0,0]=3 112 B12R1.252 O=C(O)CCNC1=CC=CC=C1 P50051 [1,1,0,0,0,0|1,0,0]=3 113 B12R1.252 O=C(O)COCC1=CC=CC=C1 B67512 [1,1,0,0,0,0|1,0,0]=3 114 B12R1.267 C=CCCOC1=C(Br)C=CC=C1 B65350 [1,1,0,0,0,0|2,0,0]=4 115 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 A50056 [1,1,0,0,0,0|1,0,1]=4 116 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 C51922 [1,1,0,0,0,0|1,0,1]=4 117 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 F51936 [1,1,0,0,0,0|1,0,1]=4 118 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 K51958 [1,1,0,0,0,0|1,0,1]=4 119 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 M54757 [1,1,0,0,0,0|0,0,1]=3 120 B12R1.43 C[C@H](N)C(=O)CC1=CC=CC=C1 A54150 [1,1,0,0,0,0|1,0,1]=4 121 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 A67883 [1,1,0,0,0,0|1,0,1]=4 122 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A52116 [1,1,0,0,0,0|1,0,1]=4 123 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O P69134 [1,1,0,0,0,0|1,0,1]=4 124 B12R1.43 O=C(Cl)[C@@H](Br)CC1=CC=CC=C1 B6285 [1,1,0,0,0,0|1,0,1]=4 125 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 B8639 [1,1,0,0,0,0|1,0,1]=4 126 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 H49929 [1,1,0,0,0,0|1,0,1]=4 127 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H49928 [1,1,0,0,0,0|1,0,1]=4 128 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 P68692 [1,1,0,0,0,0|0,0,2]=4 129 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 P65406 [1,1,0,0,0,0|1,0,1]=4 130 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 P38479 [1,1,0,0,0,0|1,0,1]=4 131 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 M63385 [1,1,0,0,0,0|0,0,1]=3 132 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 A53182 [1,1,0,0,0,0|1,0,1]=4 133 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 P69050 [1,1,0,0,0,0|1,0,1]=4 134 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A38671 [1,1,0,0,0,0|1,0,1]=4 135 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A52121 [1,1,0,0,0,0|1,0,1]=4 136 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A67450 [1,1,0,0,0,0|1,0,1]=4 137 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A50069 [1,1,0,0,0,0|1,0,1]=4 138 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A52115 [1,1,0,0,0,0|1,0,1]=4 139 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 H69518 [1,1,0,0,0,0|1,0,1]=4 140 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 H50049 [1,1,0,0,0,0|1,0,1]=4 141 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 M52804 [1,1,0,0,0,0|1,0,1]=4 142 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 B51888 [1,1,0,0,0,0|1,0,1]=4 143 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 C51920 [1,1,0,0,0,0|1,0,1]=4 144 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 F51934 [1,1,0,0,0,0|1,0,1]=4 145 B12R1.125 O=C(O)CCC1=C(I)C=CC=C1 K51957 [1,1,0,0,0,0|1,0,1]=4 146 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 M52805 [1,1,0,0,0,0|1,0,1]=4 147 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 H67695 [1,1,0,0,0,0|1,0,1]=4 148 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 B51889 [1,1,0,0,0,0|1,0,1]=4 149 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 C51921 [1,1,0,0,0,0|1,0,1]=4 150 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 F51935 [1,1,0,0,0,0|1,0,1]=4 151 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 P38151 [1,1,0,0,0,0|2,0,0]=4 152 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 M39108 [0,1,0,0,1,0|0,0,2]=4 153 B12R1.118 NC[C@@H](CO)CC1=CC=CC=C1 A53136 [0,1,0,0,1,0|0,0,2]=4 154 B12R1.118 OCC(CO)CC1=CC=CC=C1 B66122 [0,1,0,0,1,0|0,0,2]=4 155 B12R1.194 C#CC(C)(C)CC1=CC=CC=C1 D60075 [0,1,0,0,1,0|1,0,1]=4 156 B14R1.292 C#CC(C)(C)COCC1=CC=CC=C1 B10540 [0,1,0,0,0,1|1,0,1]=4 157 B14R1.292 CC(C)(CO)COCC1=CC=CC=C1 B56220 [0,1,0,0,0,1|0,0,2]=4 158 B14R1.546 COC(COCC1=CC=CC=C1)OC B54962 [0,1,0,0,0,1|2,0,0]=4 159 B14R1.546 OCC(CO)COCC1=CC=CC=C1 B16938 [0,1,0,0,0,1|0,0,2]=4 160 B14R1.6449 N[C@@H](CCCC1=CC=CC=C1)C(=O)O A54864 [0,1,0,0,0,1|1,0,0]=3 161 B14R1.6449 N[C@@H](CCCC1=CC=CC=C1)C(=O)O A54867 [0,1,0,0,0,1|1,0,0]=3 162 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O A68012 [0,1,0,0,0,1|1,0,0]=3 163 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O B52975 [0,1,0,0,0,1|1,0,0]=3 164 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O B68301 [0,1,0,0,0,1|1,0,0]=3 165 B14R1.415 N[C@@H](CC(=O)C1=CC=CC=C1)C(=O)O A54115 [0,2,0,0,0,0|1,0,1]=4 166 B14R1.425 N[C@@H](CC1=CC=CC=C1)[C@@H](O)C(=O)O A62968 [0,2,0,0,0,0|1,0,0]=3 167 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O A52987 [0,2,0,0,0,0|1,0,0]=3 168 B14R1.4194 O=C(O)[C@@H](CO)NCC1=CC=CC=C1 B52984 [0,2,0,0,0,0|1,0,0]=3 169 B12R2.1 C#C[C@H]1CCC2=C1C=CC=C2 E64384 [1,0,0,1,0,0|1,0,1]=4 170 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P15957 [1,0,0,1,0,0|1,0,1]=4 171 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P24436 [1,0,0,1,0,0|1,0,1]=4 172 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P54138 [1,0,0,1,0,0|1,0,1]=4 173 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 P1193 [1,0,0,1,0,0|0,0,2]=4 174 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 P24304 [1,0,0,1,0,0|1,0,1]=4 175 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P24713 [1,0,0,1,0,0|2,0,0]=4 176 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P25684 [1,0,0,1,0,0|2,0,0]=4 177 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P25740 [1,0,0,1,0,0|2,0,0]=4 178 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P26657 [1,0,0,1,0,0|2,0,0]=4 179 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 P13262 [1,0,0,1,0,0|0,0,0]=2 180 B12R2.27 OCC1CC1C2=CC=CC=C2 P52781 [1,0,0,1,0,0|0,0,2]=4 181 B12R2.41 C1=CC2=C(C=C1)CNCCC2 T69161 [1,0,0,1,0,0|2,0,0]=4 182 B12R2.41 C1=CC2=C(C=C1)NCCCC2 T32455 [1,0,0,1,0,0|1,0,1]=4 183 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 T22529 [1,0,0,1,0,0|1,0,1]=4 184 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 T22530 [1,0,0,1,0,0|1,0,1]=4 185 B12R2.1081 O=C1CCCC2=C1C=CC=N2 D0654 [1,0,0,1,0,0|1,0,0]=3 186 B12R2.1081 O=C1CCCC2=C1C=CN=C2 D69568 [1,0,0,1,0,0|1,0,0]=3 187 B12R2.1081 O=C1CCCC2=C1C=NC=C2 D52235 [1,0,0,1,0,0|1,0,0]=3 188 B12R2.1081 O=C1CCCC2=CC=CN=C12 D51765 [1,0,0,1,0,0|1,0,0]=3 189 B12R2.1081 O=C1CCNC2=C1C=CC=C2 D39113 [1,0,0,1,0,0|1,0,0]=3 190 B12R2.1081 O=C1CCOC2=C1C=CC=C2 C67858 [1,0,0,1,0,0|1,0,0]=3 191 B12R2.1081 O=C1CCOC2=CC=CN=C12 P48464 [1,0,0,1,0,0|2,0,0]=4 192 B12R2.1081 O=C1COCC2=C1C=CC=C2 I4950 [1,0,0,1,0,0|1,0,0]=3 193 B12R2.1081 O=C1CSCC2=C1C=CC=C2 T62209 [1,0,0,1,0,0|1,0,0]=3 194 B12R2.1081 O=C1NCCC2=C1C=CC=C2 D37571 [1,0,0,1,0,0|1,0,0]=3 195 B12R2.1081 O=C1NCCC2=C1C=CC=N2 D48818 [1,0,0,1,0,0|2,0,0]=4 196 B12R2.1081 O=C1NCCC2=C1C=NC=C2 D13447 [1,0,0,1,0,0|2,0,0]=4 197 B12R2.1081 O=C1NCCC2=CC=CN=C12 D48817 [1,0,0,1,0,0|2,0,0]=4 198 B12R2.1081 O=C1OCCC2=C1C=CC=C2 C51549 [1,0,0,1,0,0|1,0,0]=3 199 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T67609 [1,0,0,1,0,0|0,0,2]=4 200 B12R2.22 NC1CC(C2=CC=CC=C2)C1 P15206 [1,0,0,1,0,0|1,0,0]=3 201 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 P11821 [1,0,0,1,0,0|1,0,0]=3 202 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 P15205 [1,0,0,1,0,0|0,0,1]=3 203 B12R2.22 OC1CN(C2=CC=CC=C2)C1 H14395 [1,0,0,1,0,0|1,0,1]=4 204 B12R2.24 C[C@@H]1CNC2=C(C=CC=C2)C1 M52877 [1,0,0,1,0,0|1,0,1]=4 205 B12R2.24 C[C@H]1CCC2=C(C=CC=C2)N1 T69232 [1,0,0,1,0,0|1,0,0]=3 206 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 T52882 [1,0,0,1,0,0|1,0,0]=3 207 B12R2.24 N[C@@H]1CNC2=C(C=CC=C2)C1 T50166 [1,0,0,1,0,0|2,0,0]=4 208 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T52883 [1,0,0,1,0,0|1,0,0]=3 209 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T54140 [1,0,0,1,0,0|1,0,0]=3 210 B12R2.24 N[C@H]1CCC2=CC=CN=C2C1 T37224 [1,0,0,1,0,0|2,0,0]=4 211 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 C39572 [1,0,0,1,0,0|1,0,1]=4 212 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 D67464 [1,0,0,1,0,0|1,0,1]=4 213 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 T60427 [1,0,0,1,0,0|1,0,1]=4 214 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 T38300 [1,0,0,1,0,0|0,0,1]=3 215 B12R2.2403 CC1(C)CNC2=C1C=CC=C2 D15351 [1,0,0,1,0,0|1,0,1]=4 216 B12R2.2403 CC1(C)NCC2=C1C=CC=C2 D10522 [1,0,0,1,0,0|1,0,1]=4 217 B12R2.18 C[C@H]1CC2=C(C=CC=C2)C1=O M4716 [0,0,0,1,1,0|0,0,0]=2 218 B12R2.32 C#CC1CC2=C(C=CC=C2)C1 E64385 [0,0,0,1,1,0|1,0,1]=4 219 B12R2.32 CNC1CC2=C(C=CC=C2)C1 M62130 [0,0,0,1,1,0|2,0,0]=4 220 B14R2.68 C[C@H]1CN[C@@H](C2=CC=CC=C2)CO1 M55498 [0,0,0,1,0,1|1,0,1]=4 221 B14R2.3019 C1=CC=C(COCC2COC2)C=C1 B54769 [0,0,0,1,0,1|0,0,2]=4 222 B14R2.29369 CN1CCC2=C(C=CC(Br)=C2)C1=O B52397 [0,1,0,1,0,0|1,0,0]=3 223 B14R2.436 O=C1CC(OCC2=CC=CC=C2)C1 B8236 [0,1,0,1,0,0|1,0,0]=3 224 B14R2.741 CN1CCC2=C(C=CC=C2)CC1=O M64138 [0,1,0,1,0,0|1,0,0]=3 225 B14R2.741 N[C@H]1CCC2=C(C=CC=C2)NC1=O A52692 [0,1,0,1,0,0|1,0,0]=3 226 B14R2.741 O=C1NC2=C(C=CC=C2)CC[C@@H]1Br B52396 [0,1,0,1,0,0|1,0,0]=3 227 B14R2.6175 CC1(C)CCC2=C(C=CC=C2)C1=O D55915 [0,1,0,1,0,0|0,0,0]=2 228 B14R2.779 O=C(O)C1CC(C2=CC=CC=C2)C1 P24775 [0,1,0,1,0,0|0,0,0]=2 229 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 P64908 [0,1,0,1,0,0|1,0,0]=3 230 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 T54113 [0,1,0,1,0,0|1,0,0]=3 231 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 T67672 [0,1,0,1,0,0|1,0,0]=3 232 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)N1 T54110 [0,1,0,1,0,0|1,0,0]=3 233 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)O1 C37839 [0,1,0,1,0,0|1,0,0]=3 234 B14R2.781 O=C(O)[C@@H]1CNC2=C(C=CC=C2)C1 T64049 [0,1,0,1,0,0|1,0,0]=3 235 B14R2.781 O=C(O)[C@@H]1COC2=C(C=CC=C2)O1 D9562 [0,1,0,1,0,0|2,0,0]=4 236 B14R2.781 O=C(O)[C@H]1CC2=C(C=CC=C2)CN1 T52580 [0,1,0,1,0,0|1,0,0]=3 237 B14R2.781 O=C(O)[C@H]1CCC2=C(C=CC=C2)C1 T54558 [0,1,0,1,0,0|0,0,0]=2 238 B14R2.781 O=C(O)[C@H]1CCC2=C(C=CC=N2)C1 T52577 [0,1,0,1,0,0|1,0,0]=3 239 B10R1.18 CC(=O)CC1=CC=NC=C1 P49256 [1,0,0,0,1,0|1,0,1]=4 240 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [1,0,0,0,1,0|1,0,1]=4 241 B10R1.18 CC(=O)NC1=CC=CC=C1 A60649 [1,0,0,0,1,0|1,0,1]=4 242 B10R1.18 CC(C)NC1=CC=CC=C1 P69278 [1,0,0,0,1,0|1,0,1]=4 243 B10R1.18 NC(=O)CC1=CC=CC=C1 P69172 [1,0,0,0,1,0|1,0,1]=4 244 B10R1.15 C#C[C@@H](C)C1=CC=CC=C1 B64382 [0,0,0,0,2,0|1,0,1]=4 245 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M50312 [0,0,0,0,2,0|2,0,0]=4 246 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M52164 [0,0,0,0,2,0|2,0,0]=4 247 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P37912 [0,0,0,0,2,0|1,0,1]=4 248 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P39584 [0,0,0,0,2,0|1,0,1]=4 249 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P60945 [0,0,0,0,2,0|1,0,1]=4 250 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 P10845 [0,0,0,0,2,0|1,0,1]=4 251 B10R1.15 O=CC(=O)C1=CC=CC=C1 P48113 [0,0,0,0,2,0|1,0,1]=4