0 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 SBB040798 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 SBB058063 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.107 CC(=O)\C=C(/N)C1=CC=CC=C1 SBB035905 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 SBB051565 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 SBB052737 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.107 N(C(C)C)[C@H](C)C1=CC=CC=C1 SBB059587 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 SBB035909 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 SBB057900 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 SBB001851 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.107 O=C(O)CC(Br)C1=CC=CC=C1 SBB008428 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 SBB063579 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 SBB001885 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.16 CC(CCN)C1=CC=CC=C1 SBB085501 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.16 CC(N=C=O)C1=CC=CC=C1 SBB023344 [1,0,0,0,0,0|1,0,1]=3 14 B11R1.16 CC(N=C=S)C1=CC=CC=C1 SBB029868 [1,0,0,0,0,0|1,1,1]=4 15 B11R1.16 CC(NC=O)C1=CC=CC=C1 SBB068791 [1,0,0,0,0,0|1,0,0]=2 16 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 SBB070021 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.16 CCOC(=O)C1=CC=CC=C1 SBB058595 [1,0,0,0,0,0|1,0,2]=4 18 B11R1.16 CNCC(C)C1=CC=CC=C1 SBB028094 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.91 CC(=O)C#CC1=CC=CC=C1 SBB015101 [1,0,0,0,0,0|1,0,1]=3 20 B11R1.91 CC(=O)CCC1=CC=CC=C1 SBB058827 [1,0,0,0,0,0|1,0,0]=2 21 B11R1.91 CC(=O)NNC1=CC=CC=C1 SBB058004 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.91 CC(=O)OCC1=CC=CC=C1 SBB058375 [1,0,0,0,0,0|0,0,0]=1 23 B11R1.91 CC(=O)O[I+]C1=CC=CC=C1 SBB057853 [1,0,0,0,0,0|1,0,0]=2 24 B11R1.91 CC(C)=CCC1=CC=CC=C1 SBB007979 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.91 CC(C)NCC1=CC=CC=C1 SBB048017 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.91 CC(N)CCC1=CC=CC=C1 SBB059846 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.91 NC(=O)CCC1=CC=CC=C1 SBB058119 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.91 NC(=O)COC1=CC=CC=C1 SBB028296 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.91 NC(=O)NCC1=CC=CC=C1 SBB058548 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.91 NC(=O)OCC1=CC=CC=C1 SBB058407 [1,0,0,0,0,0|1,0,0]=2 31 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 SBB004096 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.91 NC(=S)NCC1=CC=CC=C1 SBB088032 [1,0,0,0,0,0|2,1,0]=4 33 B11R1.91 NC(N)=NCC1=CC=CC=C1 SBB055108 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 SBB058859 [1,0,0,0,0,0|2,0,0]=3 35 B11R1.91 O=C(Cl)COC1=CC=CC=C1 SBB040630 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 SBB063193 [1,0,0,0,0,0|1,0,0]=2 37 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 SBB040621 [1,0,0,0,0,0|2,0,1]=4 38 B11R1.91 O=C(O)C#CC1=CC=CC=C1 SBB044891 [1,0,0,0,0,0|2,0,1]=4 39 B11R1.91 O=C(O)CCC1=CC=CC=C1 SBB056662 [1,0,0,0,0,0|2,0,0]=3 40 B11R1.91 O=C(O)CCC1=CC=CC=N1 SBB018634 [1,0,0,0,0,0|3,0,0]=4 41 B11R1.91 O=C(O)CCC1=CC=NC=C1 SBB012865 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.91 O=C(O)CCC1=CN=CC=C1 SBB028468 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.91 O=C(O)CNC1=CC=CC=C1 SBB028637 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.91 O=C(O)COC1=CC=CC=C1 SBB040522 [1,0,0,0,0,0|3,0,0]=4 45 B11R1.91 O=C(O)CSC1=CC=CC=C1 SBB001712 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 SBB028745 [1,0,0,0,0,0|2,0,1]=4 47 B13R1.11 CC(NC(=O)CBr)C1=CC=CC=C1 SBB050427 [0,1,0,0,0,0|1,0,0]=2 48 B13R1.11 CC(NC(=O)CCl)C1=CC=CC=C1 SBB010968 [0,1,0,0,0,0|1,0,0]=2 49 B13R1.11 CNC(=O)\C=C(\O)C1=CC=CC=C1 SBB035976 [0,1,0,0,0,0|2,0,1]=4 50 B13R1.132 CC(=O)CC(=O)C1=CC=C(Cl)C=C1 SBB055091 [0,1,0,0,0,0|2,0,1]=4 51 B13R1.132 NC(=O)CC(N)C1=CC=C(F)C=C1 SBB303223 [0,1,0,0,0,0|3,0,0]=4 52 B13R1.132 NC(CC(=O)O)C1=CC=C(Br)C=C1 SBB000836 [0,1,0,0,0,0|3,0,0]=4 53 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 SBB001785 [0,1,0,0,0,0|3,0,0]=4 54 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 SBB003727 [0,1,0,0,0,0|3,0,0]=4 55 B13R1.132 NC(CC(=O)O)C1=CC=C(O)C=C1 SBB017166 [0,1,0,0,0,0|3,0,0]=4 56 B13R1.147 CC(=O)NC(C)C1=CC=CC(N)=C1 SBB050328 [0,1,0,0,0,0|1,0,0]=2 57 B13R1.147 NC(CC(=O)O)C1=CC(Cl)=CC=C1 SBB002511 [0,1,0,0,0,0|3,0,0]=4 58 B13R1.147 NC(CC(=O)O)C1=CC(O)=CC=C1 SBB013152 [0,1,0,0,0,0|3,0,0]=4 59 B13R1.147 NC(CC(=O)O)C1=CC=CC(Br)=C1 SBB099794 [0,1,0,0,0,0|3,0,0]=4 60 B13R1.147 NC(CC(=O)O)C1=CC=CC(F)=C1 SBB048872 [0,1,0,0,0,0|3,0,0]=4 61 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 SBB000225 [0,1,0,0,0,0|3,0,0]=4 62 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 SBB057623 [0,1,0,0,0,0|3,0,0]=4 63 B13R1.152 O=C(O)C(Br)C(Br)C1=CC=CC=C1 SBB007805 [0,1,0,0,0,0|3,0,0]=4 64 B13R1.201 CC(=O)CC(=O)C1=C(O)C=CC=C1 SBB007835 [0,1,0,0,0,0|2,0,1]=4 65 B13R1.201 CC1=C(C(N)CC(=O)O)C=CC=C1 SBB048873 [0,1,0,0,0,0|3,0,0]=4 66 B13R1.201 CC1=CC=CC=C1\C(C)=C\C(=O)O SBB084497 [0,1,0,0,0,0|2,0,1]=4 67 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Br SBB099793 [0,1,0,0,0,0|3,0,0]=4 68 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Cl SBB042795 [0,1,0,0,0,0|3,0,0]=4 69 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1F SBB090035 [0,1,0,0,0,0|3,0,0]=4 70 B13R1.347 CC(=O)CS(=O)(=O)C1=CC=CC=C1 SBB043994 [0,1,0,0,0,0|3,0,0]=4 71 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 SBB001567 [0,1,0,0,0,0|2,0,0]=3 72 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 SBB063537 [0,1,0,0,0,0|2,0,0]=3 73 B13R2.10 CC1COC(C2=CC=CC=C2)O1 SBB060969 [0,0,0,1,0,0|2,0,1]=4 74 B13R2.10 NC1=NN(C2=CC=CC=C2)CC1 SBB009983 [0,0,0,1,0,0|3,0,0]=4 75 B13R2.10 O=C1C=C(C2=CC=CC=C2)CC1 SBB051629 [0,0,0,1,0,0|1,0,1]=3 76 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 SBB000141 [0,0,0,1,0,0|2,0,0]=3 77 B13R2.10 O=C1CN=C(C2=CC=CC=C2)O1 SBB068903 [0,0,0,1,0,0|1,0,1]=3 78 B13R2.10 O=C1CSC(C2=CC=CC=C2)N1 SBB076217 [0,0,0,1,0,0|2,0,0]=3 79 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 SBB062701 [0,0,0,1,0,0|2,0,1]=4 80 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)O1 SBB000135 [0,0,0,1,0,0|2,0,1]=4 81 B13R2.328 N1C(=O)OC(=O)C2=C1C=CC=C2 SBB003928 [0,0,0,1,0,0|2,0,1]=4 82 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)O1 SBB069509 [0,0,0,1,0,0|1,0,1]=3 83 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 SBB079065 [0,0,0,1,0,0|2,0,1]=4 84 B13R2.423 O=C(Cl)[C@@H]1CC1C2=CC=CC=C2 SBB000222 [0,0,0,1,0,0|2,0,0]=3 85 B13R2.423 OC(=O)C1CC1C2=CC=CC=C2 SBB003944 [0,0,0,1,0,0|2,0,0]=3 86 B13R2.12159 O=S1(=O)OC(Cl)C2=C1C=CC=C2 SBB057542 [0,0,0,1,0,0|3,0,0]=4 87 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 SBB063201 [0,0,0,0,1,0|1,0,2]=4 88 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 SBB064017 [0,0,0,0,1,0|1,0,1]=3 89 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 SBB055478 [0,0,0,0,1,0|1,0,0]=2 90 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 SBB086654 [0,0,0,0,1,0|1,0,0]=2 91 B11R1.36 CC(=O)N(O)C1=CC=CC=C1 SBB058639 [0,0,0,0,1,0|2,0,0]=3 92 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 SBB007855 [0,0,0,0,1,0|1,0,0]=2 93 B11R1.36 CN(C(N)=S)C1=CC=CC=C1 SBB055419 [0,0,0,0,1,0|2,1,0]=4 94 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 SBB017231 [0,0,0,0,1,0|2,0,0]=3 95 B11R1.36 NC(=O)C(O)C1=CC=CC=C1 SBB028298 [0,0,0,0,1,0|2,0,0]=3 96 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 SBB056598 [0,0,0,0,1,0|2,0,0]=3 97 B11R1.36 O=C(Cl)C(Cl)C1=CC=CC=C1 SBB007783 [0,0,0,0,1,0|2,0,0]=3 98 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 SBB057084 [0,0,0,0,1,0|2,0,1]=4 99 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 SBB007654 [0,0,0,0,1,0|2,0,0]=3 100 B11R1.36 O=C(O)C(F)C1=CC=CC=C1 SBB086979 [0,0,0,0,1,0|2,0,0]=3 101 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 SBB007730 [0,0,0,0,1,0|2,0,0]=3 102 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 SBB017395 [0,0,0,0,1,0|2,0,0]=3 103 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 SBB071424 [0,0,0,0,0,1|2,0,1]=4 104 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 SBB063952 [0,0,0,0,0,1|1,0,1]=3 105 B13R1.45 C\C(=N\NC(N)=O)C1=CC=CC=C1 SBB023883 [0,0,0,0,0,1|2,0,1]=4 106 B13R1.45 O=C(O)CCC(O)C1=CC=CC=C1 SBB010649 [0,0,0,0,0,1|3,0,0]=4 107 B13R1.348 CC(=O)C\C(C)=N/C1=CC=CC=C1 SBB089069 [0,0,0,0,0,1|1,0,1]=3 108 B13R1.348 N(C(=O)CC(C)=O)C1=CC=CC=C1 SBB003774 [0,0,0,0,0,1|2,0,1]=4 109 B10R1.15 C(=O)C(C)C1=CC=CC=C1 SBB007693 [2,0,0,0,0,0|0,0,0]=2 110 B10R1.15 CC(CN)C1=CC=CC=C1 SBB028247 [2,0,0,0,0,0|1,0,1]=4 111 B10R1.15 CC(CO)C1=CC=CC=C1 SBB007853 [2,0,0,0,0,0|0,0,2]=4 112 B10R1.15 CCC(Br)C1=CC=CC=C1 SBB060201 [2,0,0,0,0,0|1,0,1]=4 113 B10R1.15 CCC(C)C1=CC=CC=C1 SBB060615 [2,0,0,0,0,0|0,0,1]=3 114 B10R1.15 CCC(N)C1=CC=CC=C1 SBB029878 [2,0,0,0,0,0|1,0,1]=4 115 B10R1.15 CCC(N)C1=CC=CC=C1 SBB080382 [2,0,0,0,0,0|1,0,1]=4 116 B10R1.15 CCC(O)C1=CC=CC=C1 SBB058750 [2,0,0,0,0,0|1,0,1]=4 117 B10R1.15 CN(C=O)C1=CC=CC=C1 SBB056830 [2,0,0,0,0,0|1,0,0]=3 118 B10R1.15 COC(=N)C1=CC=CC=C1 SBB055305 [2,0,0,0,0,0|1,0,1]=4 119 B10R1.15 COC(=O)C1=CC=CC=C1 SBB058212 [2,0,0,0,0,0|1,0,1]=4 120 B10R1.15 C[C@H](CN)C1=CC=CC=C1 SBB052360 [2,0,0,0,0,0|1,0,1]=4 121 B10R1.15 O=CC(=O)C1=CC=CC=C1 SBB068905 [2,0,0,0,0,0|1,0,1]=4 122 B10R1.17 C(=O)CCC1=CC=CC=C1 SBB006730 [2,0,0,0,0,0|1,0,0]=3 123 B10R1.17 C(=O)NNC1=CC=CC=C1 SBB008261 [2,0,0,0,0,0|2,0,0]=4 124 B10R1.17 C=CCCC1=CC=CC=C1 SBB008476 [2,0,0,0,0,0|1,0,1]=4 125 B10R1.17 CCNCC1=CC=CC=C1 SBB058765 [2,0,0,0,0,0|1,0,1]=4 126 B10R1.17 CCOCC1=CC=CC=C1 SBB061196 [2,0,0,0,0,0|0,0,1]=3 127 B10R1.17 CCSCC1=CC=CC=C1 SBB061362 [2,0,0,0,0,0|0,1,1]=4 128 B10R1.17 ClCOCC1=CC=CC=C1 SBB064207 [2,0,0,0,0,0|1,0,1]=4 129 B10R1.17 O=C=NCC1=CC=CC=C1 SBB048859 [2,0,0,0,0,0|1,0,1]=4 130 B10R1.17 O=COCC1=CC=CC=C1 SBB061238 [2,0,0,0,0,0|0,0,0]=2 131 B10R1.17 O=C\C=C\C1=CC=CC=C1 SBB028652 [2,0,0,0,0,0|1,0,1]=4 132 B12R1.3 CCCC(CC)C1=CC=CC=C1 SBB061240 [1,1,0,0,0,0|1,0,1]=4 133 B12R1.3 CCCC(CN)C1=CC=CC=C1 SBB073169 [1,1,0,0,0,0|1,0,1]=4 134 B12R1.30 CCCNC(C)C1=CC=CC=C1 SBB005747 [1,1,0,0,0,0|1,0,1]=4 135 B12R1.30 OCCN[C@H](C)C1=CC=CC=C1 SBB010055 [1,1,0,0,0,0|1,0,1]=4 136 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 SBB056768 [1,1,0,0,0,0|1,0,0]=3 137 B12R1.21 CC(=O)COC1=CC=C(Cl)C=C1 SBB072870 [1,1,0,0,0,0|2,0,0]=4 138 B12R1.21 CC(=O)CSC1=CC=C(C)C=C1 SBB089710 [1,1,0,0,0,0|2,0,0]=4 139 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 SBB057983 [1,1,0,0,0,0|2,0,0]=4 140 B12R1.21 CC(=O)CSC1=CC=C(F)C=C1 SBB090182 [1,1,0,0,0,0|2,0,0]=4 141 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 SBB055227 [1,1,0,0,0,0|1,0,0]=3 142 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 SBB116862 [1,1,0,0,0,0|0,0,0]=2 143 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 SBB017373 [1,1,0,0,0,0|1,0,1]=4 144 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 SBB089732 [1,1,0,0,0,0|1,0,1]=4 145 B12R1.21 CC(=O)\C=C\C1=CC=C(F)C=C1 SBB087791 [1,1,0,0,0,0|1,0,1]=4 146 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 SBB016295 [1,1,0,0,0,0|2,0,0]=4 147 B12R1.21 NC(=O)NCC1=CC=C(F)C=C1 SBB088171 [1,1,0,0,0,0|2,0,0]=4 148 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 SBB010089 [1,1,0,0,0,0|2,0,0]=4 149 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 SBB017617 [1,1,0,0,0,0|2,0,0]=4 150 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 SBB010179 [1,1,0,0,0,0|2,0,0]=4 151 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 SBB017621 [1,1,0,0,0,0|2,0,0]=4 152 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 SBB052832 [1,1,0,0,0,0|2,0,0]=4 153 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 SBB064098 [1,1,0,0,0,0|2,0,0]=4 154 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 SBB068279 [1,1,0,0,0,0|0,0,1]=3 155 B12R1.27 CCC(=O)NNC1=CC=CC=C1 SBB007827 [1,1,0,0,0,0|2,0,0]=4 156 B12R1.27 CCC(=O)OCC1=CC=CC=C1 SBB061239 [1,1,0,0,0,0|0,0,0]=2 157 B12R1.27 CNC(=S)NCC1=CC=CC=C1 SBB017711 [1,1,0,0,0,0|1,1,0]=4 158 B12R1.27 COC(=O)CCC1=CN=CC=C1 SBB071440 [1,1,0,0,0,0|2,0,0]=4 159 B12R1.27 COC(=O)CSC1=CC=CC=C1 SBB089934 [1,1,0,0,0,0|2,0,0]=4 160 B12R1.27 COC(=O)NCC1=CC=CC=C1 SBB080563 [1,1,0,0,0,0|1,0,0]=3 161 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 SBB058222 [1,1,0,0,0,0|1,0,1]=4 162 B12R1.27 N#CC(=O)OCC1=CC=CC=C1 SBB057332 [1,1,0,0,0,0|0,0,1]=3 163 B12R1.27 NCC(=O)OCC1=CC=CC=C1 SBB063677 [1,1,0,0,0,0|0,0,0]=2 164 B12R1.27 NNC(=O)CCC1=CC=CC=C1 SBB000151 [1,1,0,0,0,0|2,0,0]=4 165 B12R1.27 NNC(=O)OCC1=CC=CC=C1 SBB063031 [1,1,0,0,0,0|1,0,0]=3 166 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 SBB080035 [1,1,0,0,0,0|1,0,0]=3 167 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 SBB006752 [1,1,0,0,0,0|0,0,0]=2 168 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 SBB038576 [1,1,0,0,0,0|1,0,0]=3 169 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 SBB064876 [1,1,0,0,0,0|0,0,0]=2 170 B12R1.27 O=C(CS)OCC1=CC=CC=C1 SBB057444 [1,1,0,0,0,0|0,0,0]=2 171 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 SBB014560 [1,1,0,0,0,0|1,0,0]=3 172 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 SBB027287 [1,1,0,0,0,0|2,0,0]=4 173 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O SBB058700 [1,1,0,0,0,0|2,0,0]=4 174 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 SBB012361 [1,1,0,0,0,0|2,0,0]=4 175 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 SBB012365 [1,1,0,0,0,0|2,0,0]=4 176 B12R1.125 CC(=O)NCC1=C(Br)C=CC=C1 SBB079113 [1,1,0,0,0,0|1,0,0]=3 177 B12R1.125 CC(=O)\C=C\C1=C(O)C=CC=C1 SBB087612 [1,1,0,0,0,0|1,0,1]=4 178 B12R1.125 CC1=CC=CC=C1CCC(=O)O SBB067749 [1,1,0,0,0,0|2,0,0]=4 179 B12R1.125 O=C(O)CCC1=CC=CC=C1Br SBB064066 [1,1,0,0,0,0|2,0,0]=4 180 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl SBB069087 [1,1,0,0,0,0|2,0,0]=4 181 B12R1.125 O=C(O)CCC1=CC=CC=C1F SBB010203 [1,1,0,0,0,0|2,0,0]=4 182 B12R1.125 O=C(O)CCC1=CC=CC=C1O SBB063739 [1,1,0,0,0,0|2,0,0]=4 183 B12R1.226 CC(=O)CCC1=CC(Br)=CC=C1 SBB055142 [1,1,0,0,0,0|1,0,0]=3 184 B12R1.226 CC(=O)\C=C\C1=CC=CC(Cl)=C1 SBB057836 [1,1,0,0,0,0|1,0,1]=4 185 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 SBB067747 [1,1,0,0,0,0|2,0,0]=4 186 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 SBB028355 [1,1,0,0,0,0|2,0,0]=4 187 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 SBB010231 [1,1,0,0,0,0|2,0,0]=4 188 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 SBB057915 [1,1,0,0,0,0|2,0,0]=4 189 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 SBB063235 [1,1,0,0,0,0|2,0,0]=4 190 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 SBB005906 [1,1,0,0,0,0|2,0,0]=4 191 B12R1.20 CC(=O)N(C)C1=CC=C(N)C=C1 SBB080453 [0,1,0,0,1,0|1,0,0]=3 192 B12R1.20 CC(=O)N(C)C1=CC=C(O)C=C1 SBB072886 [0,1,0,0,1,0|1,0,0]=3 193 B12R1.20 CC(C(=O)O)C1=CC=C(Cl)C=C1 SBB064110 [0,1,0,0,1,0|1,0,0]=3 194 B12R1.20 CC1=CC=C(C(C)C(=O)O)C=C1 SBB037860 [0,1,0,0,1,0|1,0,0]=3 195 B12R1.20 CC1=CC=C(C(O)C(=O)O)C=C1 SBB065020 [0,1,0,0,1,0|2,0,0]=4 196 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 SBB097533 [0,1,0,0,1,0|2,0,0]=4 197 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 SBB028364 [0,1,0,0,1,0|2,0,0]=4 198 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 SBB062828 [0,1,0,0,1,0|2,0,0]=4 199 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 SBB058359 [0,1,0,0,1,0|2,0,0]=4 200 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 SBB057734 [0,1,0,0,1,0|2,0,0]=4 201 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 SBB008325 [0,1,0,0,1,0|2,0,0]=4 202 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 SBB063787 [0,1,0,0,1,0|2,0,0]=4 203 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 SBB065018 [0,1,0,0,1,0|2,0,0]=4 204 B12R1.20 OC(=O)C(C)C1=CC=C(O)C=C1 SBB003894 [0,1,0,0,1,0|1,0,0]=3 205 B12R1.124 NC(C(=O)O)C1=CC=CC=C1Cl SBB052787 [0,1,0,0,1,0|2,0,0]=4 206 B12R1.124 O=C(O)C(Br)C1=CC=CC=C1Cl SBB063226 [0,1,0,0,1,0|2,0,0]=4 207 B12R1.124 O=C(O)C(O)C1=C(F)C=CC=C1 SBB088383 [0,1,0,0,1,0|2,0,0]=4 208 B12R1.124 O=C(O)C(O)C1=CC=CC=C1Cl SBB003705 [0,1,0,0,1,0|2,0,0]=4 209 B12R1.225 CC(=O)N(C)C1=CC=CC(N)=C1 SBB080441 [0,1,0,0,1,0|1,0,0]=3 210 B12R1.225 NC(C(=O)O)C1=CC=CC(F)=C1 SBB028363 [0,1,0,0,1,0|2,0,0]=4 211 B12R1.225 O=C(O)C(O)C1=CC=CC(Cl)=C1 SBB065014 [0,1,0,0,1,0|2,0,0]=4 212 B12R1.253 CC(=O)C(C)(O)C1=CN=CC=C1 SBB013524 [0,1,0,0,1,0|1,0,0]=3 213 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 SBB063153 [0,1,0,0,1,0|1,0,0]=3 214 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 SBB068832 [0,1,0,0,1,0|1,0,0]=3 215 B12R1.253 CC(O)(C(=O)O)C1=CC=CC=C1 SBB063248 [0,1,0,0,1,0|1,0,0]=3 216 B12R1.253 NC(=O)C(F)(F)C1=CC=CC=C1 SBB088489 [0,1,0,0,1,0|2,0,0]=4 217 B12R1.253 O=C(O)C(F)(F)C1=CC=CC=C1 SBB088578 [0,1,0,0,1,0|2,0,0]=4 218 B12R1.478 CC(=O)C(C#N)C1=CC=CC=C1 SBB001837 [0,1,0,0,1,0|0,0,1]=3 219 B12R1.478 CCC(C(=O)Cl)C1=CC=CC=C1 SBB067924 [0,1,0,0,1,0|1,0,0]=3 220 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 SBB042503 [0,1,0,0,1,0|1,0,0]=3 221 B12R1.478 CN(C)C(CN)C1=CC=CC=C1 SBB028352 [0,1,0,0,1,0|2,0,0]=4 222 B12R1.478 CO[C@H](C(=O)O)C1=CC=CC=C1 SBB058045 [0,1,0,0,1,0|1,0,0]=3 223 B14R1.417 CC(=O)CC(=O)N(C)C1=CC=CC=C1 SBB058856 [0,1,0,0,0,1|2,0,0]=4 224 B14R1.678 CC(=O)OCC(=O)C1=CC=C(Br)C=C1 SBB101819 [0,1,0,0,0,1|1,0,1]=4 225 B14R1.698 CC(CC(=O)O)SC1=CC=C(F)C=C1 SBB094975 [0,1,0,0,0,1|2,0,0]=4 226 B14R1.10 CC(NC(=O)CCl)C1=CC=C(Br)C=C1 SBB072814 [0,2,0,0,0,0|1,0,0]=3 227 B14R1.10 COC(=O)CC(N)C1=CC=C(Br)C=C1 SBB053789 [0,2,0,0,0,0|2,0,0]=4 228 B14R1.29 CC(NC(=O)CC#N)C1=CC=CC=C1 SBB019859 [0,2,0,0,0,0|1,0,0]=3 229 B14R1.29 CCOC(=O)CC(O)C1=CC=CC=C1 SBB068851 [0,2,0,0,0,0|2,0,0]=4 230 B14R1.29 CCOC(=O)\C=C(/C)C1=CC=CC=C1 SBB053785 [0,2,0,0,0,0|1,0,1]=4 231 B14R1.85 COC(=O)C(Br)C(Br)C1=CC=CC=C1 SBB001327 [0,2,0,0,0,0|2,0,0]=4 232 B14R1.3297 CNC(=O)\C=C(/NC)C1=CC=CC=C1 SBB035973 [0,2,0,0,0,0|1,0,1]=4 233 B14R1.1019 NCC(CC(=O)O)C1=CC=C(Cl)C=C1 SBB017246 [0,2,0,0,0,0|2,0,0]=4 234 B14R1.6455 CC(=O)OC(C(=O)Cl)C1=CC=CC=C1 SBB003420 [0,2,0,0,0,0|0,0,1]=3 235 B12R2.2 C1=CC=C(C2CCCC2)C=C1 SBB060080 [1,0,0,1,0,0|1,0,1]=4 236 B12R2.2 C1=CC=C(C2CCCN2)C=C1 SBB056158 [1,0,0,1,0,0|1,0,1]=4 237 B12R2.2 C1=CC=C(C2CCNC2)C=C1 SBB010168 [1,0,0,1,0,0|2,0,0]=4 238 B12R2.2 C1=CC=C(C2OCCO2)C=C1 SBB058599 [1,0,0,1,0,0|1,0,1]=4 239 B12R2.2 C1=CC=C(C2OCCS2)C=C1 SBB056712 [1,0,0,1,0,0|1,0,1]=4 240 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 SBB067569 [1,0,0,1,0,0|1,0,0]=3 241 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 SBB040869 [1,0,0,1,0,0|1,0,1]=4 242 B12R2.2028 O=C1OC(Br)C2=C1C=CC=C2 SBB063763 [1,0,0,1,0,0|1,0,0]=3 243 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 SBB068599 [1,0,0,1,0,0|0,0,0]=2 244 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 SBB058834 [1,0,0,1,0,0|2,0,0]=4 245 B12R2.24 O=C1CCC2=CC=CC=C2N1 SBB056014 [1,0,0,1,0,0|2,0,0]=4 246 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 SBB053554 [1,0,0,1,0,0|2,0,0]=4 247 B12R2.18 CN1C(=O)CC2=CC=CC=C21 SBB006878 [0,0,0,1,1,0|1,0,0]=3 248 B12R2.18 CN1C(=O)OC2=C1C=CC=C2 SBB017054 [0,0,0,1,1,0|2,0,0]=4 249 B12R2.18 CN1C(=O)SC2=C1C=CC=C2 SBB071442 [0,0,0,1,1,0|2,0,0]=4 250 B12R2.18 O=C1CC2=C(C=CC=C2)C1=O SBB068426 [0,0,0,1,1,0|1,0,1]=4 251 B14R2.68 O=C1CCC(C2=CC=CC=C2)=NN1 SBB003803 [0,0,0,1,0,1|1,0,1]=4 252 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 SBB008578 [0,0,0,1,0,1|1,0,0]=3 253 B14R2.2950 CC1COC(C)(C2=CC=CC=C2)O1 SBB061023 [0,0,0,1,0,1|0,0,2]=4 254 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 SBB056163 [0,0,0,1,0,1|2,0,0]=4 255 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 SBB055826 [0,0,0,1,0,1|2,0,0]=4 256 B14R2.598 CC1NC(=O)OC1C2=CC=CC=C2 SBB067625 [0,0,0,1,0,1|2,0,0]=4 257 B14R2.738 CC1CC(=O)NC2=CC=CC=C2N1 SBB039215 [0,0,0,1,0,1|2,0,0]=4 258 B14R2.768 O=C(O)CC1CC2=C(C=CC=C2)C1 SBB116894 [0,0,0,1,0,1|2,0,0]=4 259 B14R2.21 CC1CCOC(C2=CC=CC=C2)O1 SBB061029 [0,1,0,1,0,0|1,0,1]=4 260 B14R2.260 CC1CN(C2=CC=CC=C2)NC1=O SBB001600 [0,1,0,1,0,0|2,0,0]=4 261 B14R2.958 NNC(=O)C1CC1C2=CC=CC=C2 SBB019657 [0,1,0,1,0,0|2,0,0]=4 262 B14R2.7724 CN1C(=O)OC(=O)C2=C1C=CC=C2 SBB000196 [0,1,0,1,0,0|1,0,1]=4 263 B14R2.20 O=C1CCC(C2=CC=C(F)C=C2)O1 SBB067241 [0,1,0,1,0,0|0,0,0]=2 264 B14R2.4402 CC1=CC=C(C2CC2C(=O)O)C=C1 SBB022730 [0,1,0,1,0,0|2,0,0]=4 265 B14R2.4402 O=C(O)C1CC1C2=CC=C(Cl)C=C2 SBB018034 [0,1,0,1,0,0|2,0,0]=4 266 B14R2.450 CC(=O)C1=C(C)C2=C(C=CC=C2)S1 SBB091160 [0,1,0,1,0,0|1,0,1]=4 267 B14R2.450 CC(=O)C1=NC2=CC=CC=C2N1C SBB082195 [0,1,0,1,0,0|2,0,0]=4 268 B14R2.2 CC(=O)OC1=COC2=CC=CC=C21 SBB116887 [0,1,0,1,0,0|0,0,2]=4 269 B10R1.18 CC(=O)CC1=CC=NC=C1 SBB055597 [1,0,0,0,1,0|1,0,0]=3 270 B10R1.18 CC(=O)NC1=CC=CC=C1 SBB040833 [1,0,0,0,1,0|1,0,0]=3 271 B10R1.18 CC(=O)NC1=CC=CC=N1 SBB085932 [1,0,0,0,1,0|2,0,0]=4 272 B10R1.18 CC(=O)NC1=CC=NC=C1 SBB085931 [1,0,0,0,1,0|2,0,0]=4 273 B10R1.18 CC(=O)OC1=CC=CC=C1 SBB058747 [1,0,0,0,1,0|0,0,0]=2 274 B10R1.18 CC(=S)NC1=CC=CC=C1 SBB086797 [1,0,0,0,1,0|1,1,0]=4 275 B10R1.18 CN(C)CC1=CC=CC=C1 SBB060233 [1,0,0,0,1,0|2,0,0]=4 276 B10R1.18 NC(=O)CC1=CC=CC=C1 SBB017634 [1,0,0,0,1,0|1,0,0]=3 277 B10R1.18 NC(=O)NC1=CC=CC=C1 SBB058197 [1,0,0,0,1,0|2,0,0]=4 278 B10R1.18 NC(=S)CC1=CC=CC=C1 SBB016517 [1,0,0,0,1,0|1,1,0]=4 279 B10R1.18 O=C(Cl)CC1=CC=CC=C1 SBB040622 [1,0,0,0,1,0|1,0,0]=3 280 B10R1.18 O=C(Cl)OC1=CC=CC=C1 SBB060851 [1,0,0,0,1,0|1,0,0]=3 281 B10R1.18 O=C(O)CC1=CC=CN=C1 SBB003812 [1,0,0,0,1,0|2,0,0]=4 282 B10R1.18 O=C(O)CC1=NC=CC=C1 SBB003810 [1,0,0,0,1,0|2,0,0]=4 283 B10R1.18 OC(=O)CC1=CC=NC=C1 SBB005759 [1,0,0,0,1,0|2,0,0]=4 284 B10R1.18 [NH2+](C(=O)Cl)C1=CC=CC=C1 SBB060746 [1,0,0,0,1,0|2,0,0]=4 285 B10R1.66 CC(=O)OCC1=CC=CO1 SBB055767 [1,0,0,0,1,0|1,0,0]=3 286 B10R1.66 CC(=O)SCC1=CC=CO1 SBB057323 [1,0,0,0,1,0|1,1,0]=4 287 B10R1.23 CC(C(=O)O)N1C=CC=C1 SBB002490 [0,0,0,0,2,0|2,0,0]=4 288 B12R1.252 CC(=O)CCCC1=CC=CC=N1 SBB018700 [1,0,0,0,0,1|2,0,0]=4 289 B12R1.252 CC(=O)CSCC1=CC=CC=C1 SBB058580 [1,0,0,0,0,1|0,1,0]=3 290 B12R1.252 CC(=O)NCCC1=CC=CC=C1 SBB058213 [1,0,0,0,0,1|1,0,0]=3 291 B12R1.252 CC(=O)OCCC1=CC=CC=C1 SBB061194 [1,0,0,0,0,1|0,0,0]=2 292 B12R1.252 CC(=O)\C=N\NC1=CC=CC=C1 SBB056716 [1,0,0,0,0,1|2,0,0]=4 293 B12R1.252 NC(=O)CCCC1=CC=CC=C1 SBB051450 [1,0,0,0,0,1|2,0,0]=4 294 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 SBB040702 [1,0,0,0,0,1|2,0,0]=4 295 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 SBB063195 [1,0,0,0,0,1|1,0,0]=3 296 B12R1.252 O=C(O)CCCC1=CC=CC=C1 SBB008452 [1,0,0,0,0,1|2,0,0]=4 297 B12R1.252 O=C(O)CCSC1=CC=CC=C1 SBB049906 [1,0,0,0,0,1|2,0,0]=4 298 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SBB003529 [1,0,0,0,0,1|2,0,0]=4 299 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SBB063075 [1,0,0,0,0,1|2,0,0]=4 300 B12R1.252 O=C(O)COCC1=CC=CC=C1 SBB048109 [1,0,0,0,0,1|1,0,0]=3 301 B12R1.252 O=C(O)CSCC1=CC=CC=C1 SBB042552 [1,0,0,0,0,1|1,1,0]=4 302 B12R1.252 OC(=O)CCOC1=CC=CC=C1 SBB003895 [1,0,0,0,0,1|2,0,0]=4 303 B14R1.420 C\C(Cl)=C/CNC(C)C1=CC=CC=C1 SBB301294 [0,0,0,0,0,2|2,0,0]=4 304 B14R1.423 CC(=O)OCC(=O)NC1=CC=CC=C1 SBB000311 [0,0,0,0,0,2|1,0,1]=4