0 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 SC-09787 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O SC-01259 [0,0,0,0,0,0|0,0,0]=0 2 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O SC-09766 [0,0,0,0,0,0|0,0,0]=0 3 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O SC-09765 [0,0,0,0,0,0|0,0,0]=0 4 B12R1.43 N[C@H](CC1=NC=CC=C1)C(=O)O SC-03978 [0,0,0,0,0,0|1,0,0]=1 5 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 SC-45736 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 SC-96045 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 SC-02277 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 SC-06556 [0,0,0,0,0,0|1,0,0]=1 9 B12R1.43 [C@H](N)(CC1=CC=NC=C1)C(=O)O SC-19508 [0,0,0,0,0,0|1,0,0]=1 10 B11R1.40 N#CC(O)CC1=CC=CC=C1 SC-91036 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.40 NC(CO)CC1=CC=CC=C1 SC-22471 [1,0,0,0,0,0|0,0,1]=2 12 B11R1.40 NCC(O)CC1=CC=CC=C1 SC-33921 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 SC-05056 [1,0,0,0,0,0|0,0,1]=2 14 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 SC-03394 [1,0,0,0,0,0|0,0,1]=2 15 B11R1.40 N\C(CC1=CC=CC=C1)=N/O SC-98439 [1,0,0,0,0,0|1,0,1]=3 16 B11R1.91 CC(=O)C#CC1=CC=CC=C1 SC-83281 [1,0,0,0,0,0|1,0,2]=4 17 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 SC-80359 [1,0,0,0,0,0|1,0,2]=4 18 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 SC-A2296 [1,0,0,0,0,0|1,0,1]=3 19 B11R1.91 N=C(N)NCC1=CC=CC=C1 SC-A4867 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.91 NC(=O)OCC1=CC=CC=C1 SC-47828 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.91 N\C(S)=N/CC1=CC=CC=C1 SC-81144 [1,0,0,0,0,0|2,1,0]=4 22 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 SC-06047 [1,0,0,0,0,0|1,0,0]=2 23 B11R1.91 O=C(O)C#CC1=CC=CC=C1 SC-13741 [1,0,0,0,0,0|0,0,2]=3 24 B11R1.91 O=C(O)CCC1=NC=CC=C1 SC-50767 [1,0,0,0,0,0|1,0,0]=2 25 B11R1.91 O=C(O)CCC1=NC=CC=N1 SC-22039 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.91 O=C(O)CNC1=CC=CC=C1 SC-75650 [1,0,0,0,0,0|1,0,0]=2 27 B11R1.91 O=C(O)CNC1=CC=CN=C1 SC-A2839 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.91 O=C(O)COC1=CC=CN=C1 SC-47923 [1,0,0,0,0,0|2,0,0]=3 29 B11R1.91 O=C(O)CSC1=NC=CC=N1 SC-77923 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 SC-39613 [1,0,0,0,0,0|1,0,2]=4 31 B11R1.91 O=C(O)\C=C\C1=CN=CC=C1 SC-57973 [1,0,0,0,0,0|1,0,2]=4 32 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 SC-62388 [1,0,0,0,0,0|1,0,2]=4 33 B13R1.133 CC(OC1=CC=C(Br)C=C1)C(=O)O SC-A3075 [0,1,0,0,0,0|2,0,0]=3 34 B13R1.133 CC(OC1=CC=C(O)C=C1)C(=O)O SC-17749 [0,1,0,0,0,0|2,0,0]=3 35 B13R1.133 CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 SC-10869 [0,1,0,0,0,0|0,0,0]=1 36 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 SC-10868 [0,1,0,0,0,0|0,0,0]=1 37 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(=O)O SC-10559 [0,1,0,0,0,0|0,0,0]=1 38 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O SC-10816 [0,1,0,0,0,0|0,0,0]=1 39 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O SC-09926 [0,1,0,0,0,0|0,0,0]=1 40 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O SC-10841 [0,1,0,0,0,0|0,0,0]=1 41 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O SC-47410 [0,1,0,0,0,0|0,0,0]=1 42 B13R1.133 NC1=CC=C(C[C@@H](N)C(=O)O)C=C1 SC-10500 [0,1,0,0,0,0|0,0,0]=1 43 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O SC-10521 [0,1,0,0,0,0|0,0,0]=1 44 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O SC-10557 [0,1,0,0,0,0|0,0,0]=1 45 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O SC-10780 [0,1,0,0,0,0|0,0,0]=1 46 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O SC-10782 [0,1,0,0,0,0|0,0,0]=1 47 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O SC-10522 [0,1,0,0,0,0|0,0,0]=1 48 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O SC-10558 [0,1,0,0,0,0|0,0,0]=1 49 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O SC-10781 [0,1,0,0,0,0|0,0,0]=1 50 B13R1.133 [C@@H](N)(CC1=CC=C(I)C=C1)C(=O)O SC-10815 [0,1,0,0,0,0|0,0,0]=1 51 B13R1.133 [C@@H](N)(CC1=CC=C(O)C=C1)C(=O)O SC-09925 [0,1,0,0,0,0|0,0,0]=1 52 B13R1.135 C=C(CC1=CC=CC=C1)C(=O)OC SC-27010 [0,1,0,0,0,0|1,0,1]=3 53 B13R1.135 [C@@H](N)(CC1=CC=CC=C1)C(=O)OC SC-09795 [0,1,0,0,0,0|0,0,0]=1 54 B13R1.148 CC1=CC(CC(N)C(=O)O)=CC=C1 SC-10861 [0,1,0,0,0,0|0,0,0]=1 55 B13R1.148 CC1=CC(C[C@@H](N)C(=O)O)=CC=C1 SC-10860 [0,1,0,0,0,0|0,0,0]=1 56 B13R1.148 CC1=CC(C[C@H](N)C(=O)O)=CC=C1 SC-10859 [0,1,0,0,0,0|0,0,0]=1 57 B13R1.148 NC(CC1=CC=CC(Br)=C1)C(=O)O SC-10514 [0,1,0,0,0,0|0,0,0]=1 58 B13R1.148 NC(CC1=CC=CC(I)=C1)C(=O)O SC-A4339 [0,1,0,0,0,0|0,0,0]=1 59 B13R1.148 N[C@@H](CC1=CC(O)=CC=C1)C(=O)O SC-10790 [0,1,0,0,0,0|0,0,0]=1 60 B13R1.148 N[C@@H](CC1=CC=CC(Br)=C1)C(=O)O SC-10512 [0,1,0,0,0,0|0,0,0]=1 61 B13R1.148 N[C@@H](CC1=CC=CC(Cl)=C1)C(=O)O SC-10548 [0,1,0,0,0,0|0,0,0]=1 62 B13R1.148 N[C@@H](CC1=CC=CC(F)=C1)C(=O)O SC-10771 [0,1,0,0,0,0|0,0,0]=1 63 B13R1.148 N[C@H](CC1=CC(F)=CC=C1)C(=O)O SC-10772 [0,1,0,0,0,0|0,0,0]=1 64 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O SC-20962 [0,1,0,0,0,0|1,0,0]=2 65 B13R1.202 CC1=CC=CC=C1CC(N)C(=O)O SC-10852 [0,1,0,0,0,0|0,0,0]=1 66 B13R1.202 CC1=CC=CC=C1C[C@H](N)C(=O)O SC-44239 [0,1,0,0,0,0|0,0,0]=1 67 B13R1.202 NC(CC1=CC=CC=C1Br)C(=O)O SC-10504 [0,1,0,0,0,0|0,0,0]=1 68 B13R1.202 NC(CC1=CC=CC=C1F)C(=O)O SC-10766 [0,1,0,0,0,0|0,0,0]=1 69 B13R1.202 N[C@@H](CC1=C(Br)C=CC=C1)C(=O)O SC-10503 [0,1,0,0,0,0|0,0,0]=1 70 B13R1.202 N[C@@H](CC1=C(F)C=CC=C1)C(=O)O SC-10764 [0,1,0,0,0,0|0,0,0]=1 71 B13R1.202 N[C@@H](CC1=CC=CC=C1Cl)C(=O)O SC-10539 [0,1,0,0,0,0|0,0,0]=1 72 B13R1.202 N[C@@H](CC1=CC=CC=C1O)C(=O)O SC-10787 [0,1,0,0,0,0|0,0,0]=1 73 B13R1.202 N[C@@H](CC1=CC=CC=C1O)C(=O)O SC-94203 [0,1,0,0,0,0|0,0,0]=1 74 B13R1.202 N[C@H](CC1=CC=CC=C1F)C(=O)O SC-10765 [0,1,0,0,0,0|0,0,0]=1 75 B13R1.418 C=C[C@@H](CC1=CC=CC=C1)C(=O)O SC-30807 [0,1,0,0,0,0|1,0,0]=2 76 B13R1.418 C=C[C@H](CC1=CC=CC=C1)C(=O)O SC-30746 [0,1,0,0,0,0|1,0,0]=2 77 B13R1.418 NCC(CC1=CC=CC=C1)C(=O)O SC-27561 [0,1,0,0,0,0|0,0,0]=1 78 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)O SC-38070 [0,1,0,0,0,0|1,0,0]=2 79 B13R1.1073 CC(N)(CC1=CC=CC=C1)C(=O)O SC-25000 [0,1,0,0,0,0|0,0,0]=1 80 B13R1.1073 C[C@@](N)(CC1=CC=CC=C1)C(=O)O SC-46109 [0,1,0,0,0,0|0,0,0]=1 81 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 SC-71542 [0,0,0,1,0,0|1,0,0]=2 82 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 SC-52795 [0,0,0,1,0,0|1,0,0]=2 83 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 SC-50143 [0,0,0,1,0,0|1,0,2]=4 84 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 SC-04821 [0,0,0,1,0,0|1,0,2]=4 85 B13R2.435 O=C(O)C1=CC2=CC=CC=C2S1 SC-13722 [0,0,0,1,0,0|1,0,2]=4 86 B13R2.435 O=C(O)C1=CC2=NC=CC=C2N1 SC-89324 [0,0,0,1,0,0|1,0,2]=4 87 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 SC-03119 [0,0,0,1,0,0|1,0,1]=3 88 B13R2.435 O=C(O)C1=NC2=CC=CC=C2S1 SC-47323 [0,0,0,1,0,0|1,0,2]=4 89 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)C1 SC-50301 [0,0,0,1,0,0|1,0,0]=2 90 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)N1 SC-06816 [0,0,0,1,0,0|0,0,0]=1 91 B11R1.35 C[C@H](NC1=CC=CO1)C(=O)O SC-91625 [0,0,0,0,1,0|3,0,0]=4 92 B11R1.35 C[C@H](NC1=CC=CO1)C(=O)O SC-91972 [0,0,0,0,1,0|3,0,0]=4 93 B11R1.35 C[C@H](NC1=CSC=C1)C(=O)O SC-91971 [0,0,0,0,1,0|3,0,0]=4 94 B11R1.35 NC(CC1=CNC=N1)C(=O)O SC-09574 [0,0,0,0,1,0|2,0,0]=3 95 B11R1.35 NC(CC1=CNC=N1)C(=O)O SC-09575 [0,0,0,0,1,0|2,0,0]=3 96 B11R1.35 NC(CC1=CSC=C1)C(=O)O SC-20710 [0,0,0,0,1,0|1,0,0]=2 97 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O SC-11219 [0,0,0,0,1,0|1,0,0]=2 98 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O SC-22421 [0,0,0,0,1,0|2,0,0]=3 99 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O SC-48587 [0,0,0,0,1,0|2,0,0]=3 100 B11R1.35 N[C@@H](CC1=CSC=N1)C(=O)O SC-71446 [0,0,0,0,1,0|2,0,0]=3 101 B11R1.35 O=C(O)[C@@H](O)CC1=CNC=N1 SC-66349 [0,0,0,0,1,0|3,0,0]=4 102 B11R1.35 [C@@H](N)(CC1=CNC=N1)C(=O)O SC-09573 [0,0,0,0,1,0|2,0,0]=3 103 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 SC-19433 [0,0,0,0,1,0|1,0,1]=3 104 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 SC-81678 [0,0,0,0,1,0|2,0,1]=4 105 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 SC-15490 [0,0,0,0,1,0|1,0,0]=2 106 B11R1.36 CC(C)C(N)C1=CC=CC=C1 SC-45929 [0,0,0,0,1,0|2,0,1]=4 107 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 SC-06768 [0,0,0,0,1,0|1,0,0]=2 108 B11R1.36 C[C@@H](C(N)=O)C1=CC=CC=C1 SC-29036 [0,0,0,0,1,0|2,0,0]=3 109 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 SC-73565 [0,0,0,0,1,0|1,0,0]=2 110 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 SC-11836 [0,0,0,0,1,0|1,0,0]=2 111 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 SC-46253 [0,0,0,0,1,0|0,0,0]=1 112 B11R1.36 NC(C(=O)O)C1=CC=NC=C1 SC-59447 [0,0,0,0,1,0|1,0,0]=2 113 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 SC-12537 [0,0,0,0,1,0|1,0,1]=3 114 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 SC-01673 [0,0,0,0,1,0|1,0,0]=2 115 B11R1.36 [C@@H](C)(C(=O)O)C1=CC=CC=C1 SC-06767 [0,0,0,0,1,0|1,0,0]=2 116 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 SC-46101 [0,0,0,0,0,1|0,0,0]=1 117 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 SC-48872 [0,0,0,0,0,1|0,0,0]=1 118 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 SC-77068 [0,0,0,0,0,1|0,0,0]=1 119 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 SC-46102 [0,0,0,0,0,1|0,0,0]=1 120 B13R1.351 CC(=O)C(=O)OCC1=CC=CC=C1 SC-A3376 [0,0,0,0,0,1|2,0,1]=4 121 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O SC-10977 [0,0,0,0,0,1|0,0,0]=1 122 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O SC-10979 [0,0,0,0,0,1|0,0,0]=1 123 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O SC-78855 [0,0,0,0,0,1|0,0,0]=1 124 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O SC-76550 [0,0,0,0,0,1|0,0,0]=1 125 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 SC-44640 [0,0,0,0,0,1|1,0,0]=2 126 B13R1.351 [C@@H](N)(CCC1=CC=CC=C1)C(=O)O SC-10978 [0,0,0,0,0,1|0,0,0]=1 127 B10R1.17 C=CCSC1=CC=CC=C1 SC-A2865 [2,0,0,0,0,0|2,0,0]=4 128 B10R1.17 ICCCC1=CC=CC=C1 SC-54412 [2,0,0,0,0,0|1,0,1]=4 129 B10R1.17 NOCCC1=CC=CC=C1 SC-99889 [2,0,0,0,0,0|2,0,0]=4 130 B10R1.17 O=C=NCC1=CC=CC=C1 SC-27328 [2,0,0,0,0,0|1,0,1]=4 131 B10R1.17 O=CCCC1=CC=CC=C1 SC-79262 [2,0,0,0,0,0|0,0,0]=2 132 B10R1.17 O=CCCC1=CN=CC=C1 SC-14308 [2,0,0,0,0,0|1,0,0]=3 133 B10R1.17 O=C\C=C\C1=CC=CC=C1 SC-19143 [2,0,0,0,0,0|0,0,2]=4 134 B10R1.17 OCCCC1=CC=CC=C1 SC-26828 [2,0,0,0,0,0|0,0,1]=3 135 B10R1.17 OCCCC1=CC=NC=C1 SC-19784 [2,0,0,0,0,0|1,0,1]=4 136 B10R1.17 OCCNC1=CC=CC=C1 SC-47141 [2,0,0,0,0,0|1,0,1]=4 137 B10R1.17 OCCSC1=CC=CC=C1 SC-46195 [2,0,0,0,0,0|1,0,1]=4 138 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 SC-51184 [2,0,0,0,0,0|2,0,0]=4 139 B10R1.18 N=C(N)CC1=CC=CC=C1 SC-12266 [2,0,0,0,0,0|1,0,1]=4 140 B10R1.18 N=C(N)CC1=CC=CC=C1 SC-17307 [2,0,0,0,0,0|1,0,1]=4 141 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 SC-78519 [2,0,0,0,0,0|1,0,1]=4 142 B10R1.18 OC(=S)CC1=CC=CC=C1 SC-46270 [2,0,0,0,0,0|1,0,1]=4 143 B12R1.50 NC(CO)CC1=CC=CC(F)=C1 SC-13103 [1,1,0,0,0,0|0,0,1]=3 144 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 SC-01266 [1,1,0,0,0,0|0,0,0]=2 145 B12R1.21 N=C(N)CCC1=CC=C(Cl)C=C1 SC-54614 [1,1,0,0,0,0|2,0,0]=4 146 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 SC-65225 [1,1,0,0,0,0|0,0,2]=4 147 B12R1.21 O=C(Cl)COC1=CC=C(F)C=C1 SC-97746 [1,1,0,0,0,0|2,0,0]=4 148 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 SC-14663 [1,1,0,0,0,0|0,0,2]=4 149 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 SC-26484 [1,1,0,0,0,0|0,0,0]=2 150 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 SC-16870 [1,1,0,0,0,0|0,0,0]=2 151 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 SC-45457 [1,1,0,0,0,0|0,0,0]=2 152 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 SC-13665 [1,1,0,0,0,0|0,0,0]=2 153 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 SC-48332 [1,1,0,0,0,0|1,0,0]=3 154 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 SC-25784 [1,1,0,0,0,0|1,0,0]=3 155 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 SC-17666 [1,1,0,0,0,0|1,0,0]=3 156 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 SC-00565 [1,1,0,0,0,0|0,0,2]=4 157 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 SC-01473 [1,1,0,0,0,0|0,0,2]=4 158 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 SC-28823 [1,1,0,0,0,0|0,0,2]=4 159 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 SC-25929 [1,1,0,0,0,0|0,0,2]=4 160 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 SC-36441 [1,1,0,0,0,0|2,0,0]=4 161 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 SC-21489 [1,1,0,0,0,0|2,0,0]=4 162 B12R1.27 COC(=O)CCC1=CC=CC=C1 SC-15551 [1,1,0,0,0,0|0,0,0]=2 163 B12R1.27 COC(=O)COC1=CC=CC=C1 SC-95721 [1,1,0,0,0,0|1,0,0]=3 164 B12R1.27 NCC(=O)OCC1=CC=CC=C1 SC-12034 [1,1,0,0,0,0|2,0,0]=4 165 B12R1.27 NCC(=O)OCC1=CC=CC=C1 SC-21071 [1,1,0,0,0,0|2,0,0]=4 166 B12R1.27 NNC(=O)CCC1=CC=NC=C1 SC-40186 [1,1,0,0,0,0|2,0,0]=4 167 B12R1.27 NNC(=O)OCC1=CC=CC=C1 SC-13650 [1,1,0,0,0,0|2,0,0]=4 168 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 SC-05223 [1,1,0,0,0,0|2,0,0]=4 169 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 SC-54022 [1,1,0,0,0,0|2,0,0]=4 170 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 SC-25618 [1,1,0,0,0,0|2,0,0]=4 171 B12R1.27 O=C(CO)OCC1=CC=CC=C1 SC-A2141 [1,1,0,0,0,0|1,0,0]=3 172 B12R1.27 O=C(NO)OCC1=CC=CC=C1 SC-31135 [1,1,0,0,0,0|1,0,0]=3 173 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 SC-A2836 [1,1,0,0,0,0|0,0,0]=2 174 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 SC-84768 [1,1,0,0,0,0|1,0,1]=4 175 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 SC-45519 [1,1,0,0,0,0|0,0,0]=2 176 B12R1.107 N[C@H](CC(=O)O)C1=CC=CN=C1 SC-82383 [1,1,0,0,0,0|1,0,0]=3 177 B12R1.107 O=C(O)CC(=O)C1=CC=CC=C1 SC-19254 [1,1,0,0,0,0|0,0,1]=3 178 B12R1.125 CC1=CC=CC=C1CCC(=O)O SC-27982 [1,1,0,0,0,0|0,0,0]=2 179 B12R1.125 O=C(O)CCC1=CC=CC=C1Br SC-17877 [1,1,0,0,0,0|0,0,0]=2 180 B12R1.125 O=C(O)CNC1=CC=CC=C1F SC-92918 [1,1,0,0,0,0|1,0,0]=3 181 B12R1.125 O=C(O)COC1=CC=CC=C1F SC-50195 [1,1,0,0,0,0|1,0,0]=3 182 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br SC-81630 [1,1,0,0,0,0|0,0,2]=4 183 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl SC-03976 [1,1,0,0,0,0|0,0,2]=4 184 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 SC-13720 [1,1,0,0,0,0|0,0,0]=2 185 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 SC-84996 [1,1,0,0,0,0|1,0,0]=3 186 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 SC-92718 [1,1,0,0,0,0|0,0,2]=4 187 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 SC-02327 [1,1,0,0,0,0|0,0,2]=4 188 B12R1.104 CN1C=NC(CC(N)C(=O)O)=C1 SC-14111 [0,1,0,0,1,0|2,0,0]=4 189 B12R1.108 COC(=O)[C@@H](N)CC1=CNC=N1 SC-09591 [0,1,0,0,1,0|2,0,0]=4 190 B12R1.20 CC(C(=O)O)C1=CC=C(Br)C=C1 SC-50903 [0,1,0,0,1,0|1,0,0]=3 191 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 SC-51589 [0,1,0,0,1,0|1,0,0]=3 192 B12R1.20 CC(C(=O)[O-])C1=CC=C(N)C=C1 SC-97977 [0,1,0,0,1,0|1,0,1]=4 193 B12R1.20 CC1=CC=C(C(=O)C(=O)O)C=C1 SC-27562 [0,1,0,0,1,0|1,0,1]=4 194 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 SC-54368 [0,1,0,0,1,0|0,0,0]=2 195 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 SC-22032 [0,1,0,0,1,0|0,0,0]=2 196 B12R1.20 [C@@H](N)(C(=O)O)C1=CC=C(F)C=C1 SC-02180 [0,1,0,0,1,0|0,0,0]=2 197 B12R1.20 [C@@H](N)(C(=O)O)C1=CC=C(O)C=C1 SC-20695 [0,1,0,0,1,0|0,0,0]=2 198 B12R1.124 CC(C(=O)O)C1=CC=CC=C1F SC-49262 [0,1,0,0,1,0|1,0,0]=3 199 B12R1.124 CC1=CC=CC=C1C(N)C(=O)O SC-21686 [0,1,0,0,1,0|0,0,0]=2 200 B12R1.124 CC1=CC=CC=C1[C@H](N)C(=O)O SC-21704 [0,1,0,0,1,0|0,0,0]=2 201 B12R1.124 NC(C(=O)O)C1=CC=CC=C1O SC-26297 [0,1,0,0,1,0|0,0,0]=2 202 B12R1.124 O=C(O)C(Br)C1=CC=CC=C1Cl SC-12235 [0,1,0,0,1,0|1,0,0]=3 203 B12R1.124 O=C(O)C(O)C1=CC=CC=C1Br SC-75785 [0,1,0,0,1,0|1,0,0]=3 204 B12R1.124 O=C(O)C(O)C1=CC=CC=C1Cl SC-12147 [0,1,0,0,1,0|1,0,0]=3 205 B12R1.124 [C@@H](O)(C(=O)O)C1=CC=CC=C1Cl SC-05082 [0,1,0,0,1,0|1,0,0]=3 206 B12R1.225 CC1=CC(C(N)C(=O)O)=CC=C1 SC-90727 [0,1,0,0,1,0|0,0,0]=2 207 B12R1.225 NC(C(=O)O)C1=CC(Cl)=CC=C1 SC-12626 [0,1,0,0,1,0|0,0,0]=2 208 B12R1.225 NC(C(=O)O)C1=CC=CC(Br)=C1 SC-12440 [0,1,0,0,1,0|0,0,0]=2 209 B12R1.225 NC(C(=O)O)C1=CC=CC(Br)=C1 SC-90026 [0,1,0,0,1,0|0,0,0]=2 210 B12R1.225 N[C@H](C(=O)O)C1=CC=CC(Cl)=C1 SC-53160 [0,1,0,0,1,0|0,0,0]=2 211 B12R1.225 O=C(O)C(O)C1=CC=CC(F)=C1 SC-12529 [0,1,0,0,1,0|1,0,0]=3 212 B12R1.253 C[C@@](N)(C(=O)O)C1=CC=CC=C1 SC-84682 [0,1,0,0,1,0|0,0,0]=2 213 B12R1.478 NC[C@H](C(=O)O)C1=CC=CC=C1 SC-91221 [0,1,0,0,1,0|0,0,0]=2 214 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 SC-18532 [0,1,0,0,1,0|1,0,0]=3 215 B12R1.478 [C@@H](OC)(C(=O)O)C1=CC=CC=C1 SC-08880 [0,1,0,0,1,0|1,0,0]=3 216 B12R1.564 CC(C)(O)[C@@H](N)C1=CC=CC=C1 SC-53245 [0,1,0,0,1,0|1,0,1]=4 217 B14R1.337 N[C@@H](CC(=O)O)CC1=CC=CC=C1F SC-A1230 [0,1,0,0,0,1|0,0,0]=2 218 B14R1.337 N[C@H](CC(=O)O)CC1=CC=CC=C1Br SC-A1239 [0,1,0,0,0,1|0,0,0]=2 219 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Br)C=C1 SC-A1251 [0,1,0,0,0,1|0,0,0]=2 220 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Cl)C=C1 SC-A1225 [0,1,0,0,0,1|0,0,0]=2 221 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(F)C=C1 SC-A1237 [0,1,0,0,0,1|0,0,0]=2 222 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Cl)C=C1 SC-A1224 [0,1,0,0,0,1|0,0,0]=2 223 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 SC-25807 [0,1,0,0,0,1|1,0,1]=4 224 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(F)=C1 SC-A1235 [0,1,0,0,0,1|0,0,0]=2 225 B14R1.679 CC(COC1=CC=C(Cl)C=C1)C(=O)O SC-25413 [0,1,0,0,0,1|1,0,0]=3 226 B14R1.3 CC(OC1=CC=C(C=O)C=C1)C(=O)O SC-95675 [0,2,0,0,0,0|2,0,0]=4 227 B14R1.3 N#CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 SC-10585 [0,2,0,0,0,0|0,0,0]=2 228 B14R1.3 N#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 SC-10584 [0,2,0,0,0,0|0,0,0]=2 229 B14R1.3 [C@@H](N)(CC1=CC=C(OC)C=C1)C(=O)O SC-09956 [0,2,0,0,0,0|0,0,0]=2 230 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 SC-09970 [0,2,0,0,0,0|0,0,0]=2 231 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 SC-15270 [0,2,0,0,0,0|0,0,0]=2 232 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(O)C=C1 SC-09959 [0,2,0,0,0,0|0,0,0]=2 233 B14R1.536 CC1=CC=C(CC(CN)C(=O)O)C=C1 SC-A2828 [0,2,0,0,0,0|0,0,0]=2 234 B14R1.686 NC(CC1=CC(I)=C(O)C=C1)C(=O)O SC-11023 [0,2,0,0,0,0|0,0,0]=2 235 B14R1.686 N[C@@H](CC1=CC(Br)=C(O)C=C1)C(=O)O SC-21989 [0,2,0,0,0,0|0,0,0]=2 236 B14R1.686 N[C@@H](CC1=CC(Cl)=C(O)C=C1)C(=O)O SC-10993 [0,2,0,0,0,0|0,0,0]=2 237 B14R1.686 N[C@@H](CC1=CC(F)=C(F)C=C1)C(=O)O SC-10679 [0,2,0,0,0,0|0,0,0]=2 238 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O SC-10704 [0,2,0,0,0,0|0,0,0]=2 239 B14R1.686 N[C@@H](CC1=CC=C(O)C(F)=C1)C(=O)O SC-11017 [0,2,0,0,0,0|0,0,0]=2 240 B14R1.6049 N[C@H](CC1=CC=C(Cl)C=C1Cl)C(=O)O SC-10603 [0,2,0,0,0,0|0,0,0]=2 241 B14R1.7626 CC(C)(OC1=CC=C(F)C=C1)C(=O)O SC-A3869 [0,2,0,0,0,0|2,0,0]=4 242 B14R1.75 COC1=CC(CC(N)C(=O)O)=CC=C1 SC-10834 [0,2,0,0,0,0|0,0,0]=2 243 B14R1.75 N#CC1=CC(C[C@H](N)C(=O)O)=CC=C1 SC-10575 [0,2,0,0,0,0|0,0,0]=2 244 B14R1.542 CCC(CC1=CC=CC(O)=C1)C(=O)O SC-94838 [0,2,0,0,0,0|1,0,0]=3 245 B14R1.6306 O=C(O)C(O)C(F)(F)C1=CC=CC=C1 SC-50119 [0,2,0,0,0,0|1,0,0]=3 246 B14R1.3135 N#CC1=CC=CC=C1CC(N)C(=O)O SC-10567 [0,2,0,0,0,0|0,0,0]=2 247 B14R1.3135 N#CC1=CC=CC=C1CC(N)C(=O)O SC-A3738 [0,2,0,0,0,0|0,0,0]=2 248 B12R2.24 NC1CCC2=CC=CC=C2C1 SC-23685 [1,0,0,1,0,0|1,0,1]=4 249 B12R2.24 NC1CNC2=C(C=CC=C2)C1 SC-52231 [1,0,0,1,0,0|1,0,1]=4 250 B12R2.24 NC1COC2=CC=CC=C2C1 SC-61243 [1,0,0,1,0,0|0,0,1]=3 251 B12R2.24 N[C@H]1COC2=CC=CC=C2C1 SC-51777 [1,0,0,1,0,0|0,0,1]=3 252 B12R2.32 O=CC1=NC2=CC=CC=C2N1 SC-03537 [1,0,0,1,0,0|1,0,1]=4 253 B12R2.32 OCC1CC2=C(C=CC=C2)C1 SC-61230 [1,0,0,1,0,0|1,0,1]=4 254 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 SC-35877 [1,0,0,1,0,0|1,0,0]=3 255 B12R2.3190 O=C(O)C1=CC2=CC=CC=C21 SC-19627 [1,0,0,1,0,0|0,0,2]=4 256 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 SC-00097 [0,0,0,1,0,1|1,0,0]=3 257 B14R2.19 [C@H]1(CC2=CC=CC=C2)COC(=O)N1 SC-07268 [0,0,0,1,0,1|1,0,0]=3 258 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 SC-47562 [0,0,0,1,0,1|1,0,0]=3 259 B14R2.598 [C@@H]1(C2=CC=CC=C2)OC(=O)N[C@@H]1C SC-47563 [0,0,0,1,0,1|1,0,0]=3 260 B14R2.741 N[C@@H]1CCC2=CC=CC=C2NC1=O SC-20528 [0,0,0,1,0,1|1,0,0]=3 261 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CN1 SC-78444 [0,0,0,1,0,1|1,0,0]=3 262 B14R2.781 O=C(O)C1CC2=CC=CC=C2CN1 SC-44475 [0,0,0,1,0,1|1,0,0]=3 263 B14R2.781 O=C(O)C1CCC2=C(C=CC=C2)C1 SC-65318 [0,0,0,1,0,1|1,0,0]=3 264 B14R2.781 O=C(O)C1CCC2=C(C=CC=C2)N1 SC-A3399 [0,0,0,1,0,1|0,0,0]=2 265 B14R2.781 O=C(O)C1CNC2=C(C=CC=C2)C1 SC-52232 [0,0,0,1,0,1|1,0,0]=3 266 B14R2.781 O=C(O)C1CNC2=CC=CC=C2O1 SC-92503 [0,0,0,1,0,1|1,0,0]=3 267 B14R2.781 O=C(O)C1COC2=CC=CC=C2C1 SC-65754 [0,0,0,1,0,1|1,0,0]=3 268 B14R2.781 O=C(O)C1COC2=CC=CC=C2N1 SC-87885 [0,0,0,1,0,1|0,0,0]=2 269 B14R2.781 O=C(O)C1COC2=CC=CC=C2O1 SC-23379 [0,0,0,1,0,1|1,0,0]=3 270 B14R2.781 O=C(O)[C@@H]1COC2=CC=CC=C2O1 SC-93049 [0,0,0,1,0,1|1,0,0]=3 271 B14R2.781 O=C(O)[C@H]1CCC2=C(C=CC=C2)N1 SC-A2473 [0,0,0,1,0,1|0,0,0]=2 272 B14R2.781 O=C(O)[C@H]1COC2=CC=CC=C2O1 SC-69587 [0,0,0,1,0,1|1,0,0]=3 273 B14R2.4402 O=C(O)C1CC1C2=CC=C(Br)C=C2 SC-A3021 [0,1,0,1,0,0|1,0,0]=3 274 B14R2.4402 O=C(O)C1CC1C2=CC=C(Cl)C=C2 SC-A2417 [0,1,0,1,0,0|1,0,0]=3 275 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)N1 SC-01590 [0,1,0,1,0,0|0,0,2]=4 276 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)N1 SC-03312 [0,1,0,1,0,0|0,0,2]=4 277 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)N1 SC-06533 [0,1,0,1,0,0|0,0,2]=4 278 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)N1 SC-65534 [0,1,0,1,0,0|0,0,2]=4 279 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2N1 SC-46131 [0,1,0,1,0,0|0,0,2]=4 280 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2N1 SC-01587 [0,1,0,1,0,0|0,0,2]=4 281 B14R2.4529 O=C(O)C1=NC2=CC(Cl)=CC=C2N1 SC-11757 [0,1,0,1,0,0|1,0,1]=4 282 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)N1 SC-00571 [0,1,0,1,0,0|0,0,2]=4 283 B14R2.972 COC(=O)C1=NC2=CC=CC=C2N1 SC-12508 [0,1,0,1,0,0|1,0,1]=4 284 B14R2.4476 O=C(O)C1CC1C2=CC=CC(Cl)=C2 SC-A2599 [0,1,0,1,0,0|1,0,0]=3 285 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Br)N1 SC-01586 [0,1,0,1,0,0|0,0,2]=4 286 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)N1 SC-61032 [0,1,0,1,0,0|0,0,2]=4 287 B14R2.7969 O=C(O)C1=CC2=C(N1)C(Br)=CC=C2 SC-23313 [0,1,0,1,0,0|0,0,2]=4 288 B14R2.7969 O=C(O)C1=CC2=C(N1)C(O)=CC=C2 SC-23210 [0,1,0,1,0,0|0,0,2]=4 289 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 SC-45731 [0,1,0,1,0,0|0,0,2]=4 290 B14R2.450 CC1=C(C(=O)O)NC2=C1C=CC=C2 SC-A4121 [0,1,0,1,0,0|0,0,2]=4 291 B14R2.450 CN1C2=CC=CC=C2N=C1C(=O)O SC-13965 [0,1,0,1,0,0|1,0,1]=4 292 B14R2.789 NC1(C(=O)O)CC2=CC=CC=C2C1 SC-52220 [0,1,0,1,0,0|0,0,0]=2 293 B10R1.15 C=CC(Cl)C1=CC=CC=C1 SC-20635 [1,0,0,0,1,0|2,0,0]=4 294 B10R1.15 C=CC(N)C1=CC=CC=C1 SC-94451 [1,0,0,0,1,0|1,0,0]=3 295 B10R1.15 CN(C=O)C1=CC=CC=C1 SC-15888 [1,0,0,0,1,0|2,0,0]=4 296 B10R1.15 NC(CO)C1=CC=CC=N1 SC-48164 [1,0,0,0,1,0|1,0,1]=4 297 B10R1.15 NC(CO)C1=CC=CC=N1 SC-49243 [1,0,0,0,1,0|1,0,1]=4 298 B10R1.15 NC(CO)C1=CC=CN=C1 SC-92576 [1,0,0,0,1,0|1,0,1]=4 299 B10R1.15 NC(CO)C1=CC=CN=C1 SC-93300 [1,0,0,0,1,0|1,0,1]=4 300 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 SC-05393 [1,0,0,0,1,0|0,0,1]=3 301 B10R1.15 N[C@H](CO)C1=CC=CC=C1 SC-02403 [1,0,0,0,1,0|0,0,1]=3 302 B10R1.15 N\C(=N\O)C1=CC=CC=C1 SC-17553 [1,0,0,0,1,0|1,0,1]=4 303 B10R1.15 [C@@H](N)(CC)C1=CC=CC=C1 SC-03309 [1,0,0,0,1,0|1,0,1]=4 304 B10R1.15 [C@H](N)(CC)C1=CC=CC=C1 SC-03999 [1,0,0,0,1,0|1,0,1]=4 305 B10R1.66 O=C(O)CCC1=CC=CO1 SC-51380 [1,0,0,0,1,0|1,0,0]=3 306 B10R1.66 O=C(O)CCC1=CSC=C1 SC-48358 [1,0,0,0,1,0|1,0,0]=3 307 B10R1.66 O=C(O)CCN1C=CN=C1 SC-04130 [1,0,0,0,1,0|2,0,0]=4 308 B10R1.23 NC(C(=O)O)C1=CC=CO1 SC-12436 [0,0,0,0,2,0|1,0,0]=3 309 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 SC-71520 [1,0,0,0,0,1|1,0,0]=3 310 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 SC-20864 [1,0,0,0,0,1|1,0,0]=3 311 B12R1.252 O=C(O)CCCC1=CC=CC=C1 SC-22740 [1,0,0,0,0,1|0,0,0]=2 312 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SC-24828 [1,0,0,0,0,1|0,0,0]=2 313 B12R1.252 O=C(O)COCC1=CC=CC=C1 SC-11831 [1,0,0,0,0,1|0,0,0]=2 314 B14R1.818 CC(=O)OC(C)CCC1=CC=CC=C1 SC-94020 [0,0,0,0,0,2|2,0,0]=4 315 B14R1.818 O=C(O)CC(=O)OCC1=CC=CC=C1 SC-66833 [0,0,0,0,0,2|1,0,1]=4 316 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O SC-21032 [0,0,0,0,0,2|0,0,0]=2 317 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O SC-09857 [0,0,0,0,0,2|0,0,0]=2