0 B10R1.18 CC(=O)[15NH]C1=CC=CC=C1 F21470 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.18 CC(C)CC1=CC=NC=C1 AC2809 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 C[C@H](N)CC1=CC=NC=C1 F11581 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.18 C[C@H](N)CC1=NC=CC=C1 F13183 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71821 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71861 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.18 C[S@](=O)CC1=CN=CC=C1 E72354 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.18 N=C(N)CC1=CC=CC=C1 C15976 [0,0,0,0,0,0|1,0,1]=2 8 B10R1.18 NC(=O)CC1=CN=CN=C1 FD7229 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.18 OB(O)CC1=CC=CC=C1 32975 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.18 [2H]C([2H])=CC1=CC=CC=C1 D99670 [0,0,0,0,0,0|2,0,2]=4 11 B9R1.8 BrCCC1=CN=CC=C1 C77647 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.8 C#C[I+]C1=CC=CC=C1 T71678 [1,0,0,0,0,0|1,0,2]=4 13 B9R1.8 CCCC1=CC=CN=C1 O11051 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.8 CCC[N+]1=CC=CC=C1 T72121 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.8 CCNC1=NC=CN=C1 C76036 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.8 CNCC1=CN=CN=C1 38577 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.8 CNCC1=NC=CC=N1 27199 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.8 CNCC1=NC=CC=N1 72796 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.8 CNCC1=NC=NC=C1 C14477 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.8 CNNC1=CC=CC=C1 C77159 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.8 FCCC1=CC=CC=C1 75534 [1,0,0,0,0,0|1,0,0]=2 22 B9R1.8 IC#CC1=CC=CC=C1 N11813 [1,0,0,0,0,0|1,0,2]=4 23 B9R1.8 NCCC1=CC=CC=C1 T71816 [1,0,0,0,0,0|0,0,0]=1 24 B9R1.8 NCCC1=CC=CC=C1 T72591 [1,0,0,0,0,0|0,0,0]=1 25 B9R1.8 NCCC1=NC=CC=N1 83201 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.8 NCCC1=NC=CC=N1 P10852 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.8 NCCC1=NC=CN=C1 AT22557 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.8 NCCC1=NC=NC=C1 P10950 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.8 NNCC1=NC=CC=C1 P10521 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.8 NNCC1=NC=CN=C1 D78817 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.8 NNCC1=NC=CN=C1 P19174 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.8 OCCC1=CC=NC=C1 T72404 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.8 OCCC1=NN=CC=C1 D77083 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.8 SCCC1=NC=CC=C1 F18309 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 AC8779 [1,0,0,0,0,0|2,0,1]=4 36 B9R1.8 [C-]#[N+]CC1=CN=CC=C1 F16136 [1,0,0,0,0,0|2,0,1]=4 37 B11R1.20 CC1=CC=C(CB(O)O)C=C1 F20813 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.20 CC1=CC=C(C[C@H](C)N)C=C1 N14354 [0,1,0,0,0,0|0,0,0]=1 39 B11R1.20 CN(C)CC1=CN=C(Cl)C=C1 D76265 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.20 CN(C)CC1=CN=C(N)C=C1 N12638 [0,1,0,0,0,0|3,0,0]=4 41 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 Y11268 [0,1,0,0,0,0|0,0,0]=1 42 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N10873 [0,1,0,0,0,0|0,0,0]=1 43 B11R1.20 C[C@H](N)CC1=CC=C(O)C=C1 85180 [0,1,0,0,0,0|0,0,0]=1 44 B11R1.20 FC(F)SC1=CC=C(Br)C=C1 AT20957 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.20 FC1=CC=C(OC(F)F)C=C1 F17627 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.20 N=C(N)NC1=CC=C(Cl)C=C1 28377 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.20 N=C(N)NC1=CC=C(F)C=C1 C16184 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.20 NC(=O)NC1=CC=C(N)C=C1 51818 [0,1,0,0,0,0|2,0,1]=4 49 B11R1.20 NC1=CC=C(SC(F)F)C=C1 AT20968 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.20 NC1=CC=C(SC(F)F)C=C1 AT20978 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.36 C=C(C1=CC=CC=C1)C(C)C W11468 [0,1,0,0,0,0|1,0,1]=3 52 B11R1.36 CC(=O)N(Cl)C1=CC=CC=C1 T71089 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N15518 [0,1,0,0,0,0|1,0,1]=3 54 B11R1.36 CC(C)C(=O)C1=CC=NC=C1 N12821 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.36 CC(C)[C@H](N)C1=CC=CN=C1 74043 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 Y10672 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.36 CC(C)[C@H](O)C1=CN=CC=C1 AC2743 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.36 CC(O)C(N)C1=CC=CC=C1 N11175 [0,1,0,0,0,0|1,0,0]=2 59 B11R1.36 CC(O)C(N)C1=CC=CC=C1 Y13368 [0,1,0,0,0,0|1,0,0]=2 60 B11R1.36 CC(O)[C@H](N)C1=CC=CC=C1 N15517 [0,1,0,0,0,0|1,0,0]=2 61 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N15522 [0,1,0,0,0,0|1,0,0]=2 62 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 F13376 [0,1,0,0,0,0|0,0,1]=2 63 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 N15519 [0,1,0,0,0,0|1,0,0]=2 64 B11R1.36 N[C@H](C1=CC=CC=C1)C(F)F 94363 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.36 O[C@H](C1=CC=CC=C1)C(F)F AT21493 [0,1,0,0,0,0|2,0,0]=3 66 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 74053 [0,1,0,0,0,0|0,0,0]=1 67 B11R1.40 CNC(=S)NC1=CC=CC=C1 T72207 [0,1,0,0,0,0|2,0,1]=4 68 B11R1.40 C[C@H](C=O)CC1=CC=CC=C1 F16111 [0,1,0,0,0,0|1,0,0]=2 69 B11R1.40 N#CC(=O)CC1=CC=CC=C1 AC5929 [0,1,0,0,0,0|1,0,2]=4 70 B11R1.40 N#C[C@@H](F)SC1=CC=CC=C1 D90673 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14383 [0,1,0,0,0,0|0,0,0]=1 72 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14384 [0,1,0,0,0,0|0,0,0]=1 73 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14385 [0,1,0,0,0,0|0,0,0]=1 74 B11R1.40 NNC(=O)CC1=NC=CC=C1 AT10923 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 C78372 [0,1,0,0,0,0|0,0,0]=1 76 B11R1.40 O\N=C(/Cl)CC1=CC=CC=C1 AC6652 [0,1,0,0,0,0|1,0,2]=4 77 B11R1.86 CC(=O)OC1=C(Br)C=CC=C1 F13222 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.86 CC(=S)NC1=C(Br)C=CC=C1 81280 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.86 CC(C)CC1=NC=CN=C1O 43967 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.86 CC(C)NC1=C(Br)C=CC=C1 C77931 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.86 CC(C)NC1=C(Cl)C=CC=C1 C78464 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.86 CC(C)NC1=C(F)C=CC=C1 C77765 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.86 CC(C)NC1=C(S)C=CC=C1 AC8476 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.86 CC(C)OC1=C(I)C=CC=N1 76901 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.86 CC(C)OC1=C(N)C=CN=C1 AT18128 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.86 CC1=C(C[C@H](C)N)C=CC=C1 N10867 [0,1,0,0,0,0|0,0,0]=1 87 B11R1.86 C[C@H](N)CC1=C(Br)C=CC=C1 N11144 [0,1,0,0,0,0|0,0,0]=1 88 B11R1.86 C[C@H](N)CC1=C(Cl)C=CC=C1 N11063 [0,1,0,0,0,0|0,0,0]=1 89 B11R1.86 C[C@H](O)CC1=C(Br)C=NC=C1 AT12941 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.86 FC(F)OC1=C(Cl)C=CC=C1 F19093 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.86 FC1=C(OC(F)F)C=CC=C1 F18842 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.86 NC(=O)CC1=NC=CC=C1O D87092 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.157 CC(=O)CC1=CC(C)=CC=C1 N12785 [0,1,0,0,0,0|1,0,1]=3 94 B11R1.157 CC(C)CC1=CC=CC(N)=C1 O11024 [0,1,0,0,0,0|1,0,0]=2 95 B11R1.157 CC(C)NC1=CC=CC(Br)=C1 C77831 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.157 CC(C)NC1=CC=CC(Cl)=C1 C78133 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.157 CC(C)NC1=NC=CC(N)=C1 F19784 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.157 CC(C)OC1=CC(Br)=CN=C1 F19749 [0,1,0,0,0,0|3,0,0]=4 99 B11R1.157 CC(C)OC1=NC=CC(N)=C1 AT18134 [0,1,0,0,0,0|3,0,0]=4 100 B11R1.157 CC1=CC=CC(C[C@H](C)N)=C1 N11054 [0,1,0,0,0,0|0,0,0]=1 101 B11R1.157 C[C@H](N)CC1=CC=CC(Br)=C1 E72139 [0,1,0,0,0,0|0,0,0]=1 102 B11R1.157 C[C@H](N)CC1=CC=CC(Cl)=C1 83690 [0,1,0,0,0,0|0,0,0]=1 103 B11R1.157 C[C@H](N)CC1=CC=CC(Cl)=C1 N11066 [0,1,0,0,0,0|0,0,0]=1 104 B11R1.157 C[C@H](N)CC1=CC=CC(F)=C1 N10878 [0,1,0,0,0,0|0,0,0]=1 105 B11R1.157 C[S@](=O)CC1=CC(N)=CC=C1 AT15220 [0,1,0,0,0,0|2,0,0]=3 106 B11R1.157 FC(F)OC1=CC=CC(Cl)=C1 F19087 [0,1,0,0,0,0|3,0,0]=4 107 B11R1.157 N=C(N)NC1=CC=CC(Cl)=C1 C12447 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.157 N=C(N)NC1=CC=CC(F)=C1 C16183 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.157 N=C(N)NC1=CC=CC(O)=C1 S11159 [0,1,0,0,0,0|2,0,1]=4 110 B11R1.157 NC(=O)NC1=CC(N)=CC=C1 F19865 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.157 OB(O)CC1=CC=CC(F)=C1 D79888 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.509 CC(C)(Cl)CC1=CC=CC=C1 AC4724 [0,1,0,0,0,0|1,0,0]=2 113 B11R1.509 C[Si](C)(C)SC1=CC=CC=C1 D76934 [0,1,0,0,0,0|2,1,0]=4 114 B11R1.509 [2H]C([2H])([2H])CC1=CC=CC=C1 D99355 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.509 [2H]C([2H])([2H])OC1=CC=CC=C1 D99695 [0,1,0,0,0,0|3,0,0]=4 116 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C14923 [0,0,0,1,0,0|0,0,0]=1 117 B11R2.10 CC1=NC2=CC=CN=C2N1 F19908 [0,0,0,1,0,0|2,0,1]=4 118 B11R2.10 N=C1CC2=C(C=CC=C2)N1 30671 [0,0,0,1,0,0|1,0,1]=3 119 B11R2.10 NC1=CC2=C(C=CC=C2)N1 79767 [0,0,0,1,0,0|1,0,2]=4 120 B11R2.10 NC1=CC2=C(C=CC=C2)N1 F13373 [0,0,0,1,0,0|1,0,2]=4 121 B11R2.10 O=C1CC2=C(C=CC=C2)S1 A51238 [0,0,0,1,0,0|2,0,1]=4 122 B11R2.10 O=C1CC2=C(C=NC=C2)N1 61718 [0,0,0,1,0,0|2,0,1]=4 123 B9R1.6 C[C@H](Br)C1=NC=CN=C1 C77147 [0,0,0,0,1,0|3,0,0]=4 124 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13293 [0,0,0,0,1,0|2,0,0]=3 125 B9R1.6 C[C@H](N)C1=CC=CN=C1 S11132 [0,0,0,0,1,0|1,0,0]=2 126 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31048 [0,0,0,0,1,0|1,0,0]=2 127 B9R1.6 C[C@H](N)C1=CN=CN=C1 P14618 [0,0,0,0,1,0|2,0,0]=3 128 B9R1.6 C[C@H](N)C1=NC=CC=C1 90514 [0,0,0,0,1,0|1,0,0]=2 129 B9R1.6 C[C@H](N)C1=NC=CC=N1 72045 [0,0,0,0,1,0|2,0,0]=3 130 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93141 [0,0,0,0,1,0|2,0,0]=3 131 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93144 [0,0,0,0,1,0|2,0,0]=3 132 B9R1.6 C[C@H](N)C1=NC=NC=C1 N10689 [0,0,0,0,1,0|2,0,0]=3 133 B9R1.6 C[C@H](N)C1=NC=NC=C1 P10880 [0,0,0,0,1,0|2,0,0]=3 134 B9R1.6 C[C@H](O)C1=NC=NC=C1 AT18318 [0,0,0,0,1,0|3,0,0]=4 135 B9R1.6 N=C(N)C1=CC=NC=C1 71449 [0,0,0,0,1,0|2,0,1]=4 136 B9R1.6 O=[13C](O)C1=CC=CC=C1 F13987 [0,0,0,0,1,0|2,0,1]=4 137 B9R1.6 [2H]C(=C)C1=CC=CC=C1 D97969 [0,0,0,0,1,0|1,0,2]=4 138 B9R1.6 [2H]N([2H])C1=CC=CC=C1 D98688 [0,0,0,0,1,0|3,0,0]=4 139 B9R1.13 CC(=O)CC1=CSC=C1 66590 [0,0,0,0,1,0|2,0,1]=4 140 B9R1.13 C[C@H](N)CC1=COC=C1 89732 [0,0,0,0,1,0|1,0,0]=2 141 B9R1.13 C[C@H](N)CC1=COC=C1 89733 [0,0,0,0,1,0|1,0,0]=2 142 B9R1.13 C[C@H](N)CC1=COC=C1 89734 [0,0,0,0,1,0|1,0,0]=2 143 B9R1.13 C[C@H](N)CC1=CSC=C1 89730 [0,0,0,0,1,0|1,0,0]=2 144 B9R1.13 C[C@H](N)CC1=NNC=C1 I11135 [0,0,0,0,1,0|2,0,0]=3 145 B9R1.13 C[C@H](N)CN1C=NC=N1 AT12353 [0,0,0,0,1,0|3,0,0]=4 146 B9R1.13 C[C@H](O)CC1=CC=CO1 W11911 [0,0,0,0,1,0|2,0,0]=3 147 B9R1.13 C[C@H](O)CC1=CSC=C1 58210 [0,0,0,0,1,0|2,0,0]=3 148 B9R1.13 C[C@H](O)CC1=CSC=C1 58214 [0,0,0,0,1,0|2,0,0]=3 149 B9R1.13 C[C@H](O)CC1=CSC=C1 58218 [0,0,0,0,1,0|2,0,0]=3 150 B9R1.13 N=C(N)CN1C=CC=C1 F50603 [0,0,0,0,1,0|2,0,1]=4 151 B9R1.13 NC(=O)CC1=CC=CN1 72456 [0,0,0,0,1,0|2,0,1]=4 152 B11R1.91 CC(=O)CCC1=CC=NC=C1 AT24518 [0,0,0,0,0,1|2,0,1]=4 153 B11R1.91 CC(=O)COC1=NC=CC=C1 AC9007 [0,0,0,0,0,1|2,0,1]=4 154 B11R1.91 CC(C)NCC1=CC=CN=C1 AC5151 [0,0,0,0,0,1|2,0,0]=3 155 B11R1.91 CC(C)NCC1=CC=NC=C1 AC6648 [0,0,0,0,0,1|2,0,0]=3 156 B11R1.91 C[C@H](N)COC1=CC=CC=C1 N12753 [0,0,0,0,0,1|0,0,0]=1 157 B11R1.91 C[C@H](N)COC1=CC=CC=C1 N12763 [0,0,0,0,0,1|0,0,0]=1 158 B11R1.91 C[C@H](N)CSC1=CC=CC=C1 AT26670 [0,0,0,0,0,1|0,0,0]=1 159 B11R1.91 N=C(N)CCC1=NC=CC=C1 C14497 [0,0,0,0,0,1|2,0,1]=4 160 B11R1.91 N=C(N)NCC1=CC=CC=C1 S12114 [0,0,0,0,0,1|1,0,1]=3 161 B11R1.91 NC(=O)CCC1=NC=CC=C1 AC6900 [0,0,0,0,0,1|2,0,1]=4 162 B11R1.91 NC(N)=NCC1=CC=CC=C1 H10078 [0,0,0,0,0,1|1,0,1]=3 163 B8R1.2 NCC1=CC=CC=C1 T70846 [2,0,0,0,0,0|0,0,0]=2 164 B8R1.2 [2H]OC1=CC=CC=C1 D99313 [2,0,0,0,0,0|2,0,0]=4 165 B10R1.1 CC1=CC=C(CNN)C=C1 O10110 [1,1,0,0,0,0|1,0,0]=3 166 B10R1.1 CC1=CN=C(CCN)N=C1 AT18271 [1,1,0,0,0,0|2,0,0]=4 167 B10R1.1 CC1=NC=C(CNN)C=C1 F15210 [1,1,0,0,0,0|2,0,0]=4 168 B10R1.1 CCOC1=NC=C(O)C=C1 D75011 [1,1,0,0,0,0|2,0,0]=4 169 B10R1.1 CNCC1=NC=C(Cl)C=C1 AT26664 [1,1,0,0,0,0|2,0,0]=4 170 B10R1.1 COCC1=CC=C(S)C=C1 AT20980 [1,1,0,0,0,0|1,0,0]=3 171 B10R1.1 CSCC1=CC=C(Cl)C=C1 W18700 [1,1,0,0,0,0|1,0,0]=3 172 B10R1.1 NC1=CC=C(OCF)C=C1 68782 [1,1,0,0,0,0|2,0,0]=4 173 B10R1.1 NCCC1=CC=C(I)C=C1 C78427 [1,1,0,0,0,0|0,0,0]=2 174 B10R1.1 NCCC1=NC=C(Br)C=C1 P10593 [1,1,0,0,0,0|1,0,0]=3 175 B10R1.1 NNCC1=CC=C(Br)C=C1 AC3503 [1,1,0,0,0,0|1,0,0]=3 176 B10R1.1 NNCC1=CC=C(Cl)C=C1 37006 [1,1,0,0,0,0|1,0,0]=3 177 B10R1.1 N\N=C\C1=CC=C(O)C=C1 F15571 [1,1,0,0,0,0|1,0,1]=4 178 B10R1.1 OCCC1=CN=C(Br)C=C1 AC9473 [1,1,0,0,0,0|2,0,0]=4 179 B10R1.1 OCCC1=CN=C(F)C=C1 AC9525 [1,1,0,0,0,0|2,0,0]=4 180 B10R1.4 CC1=C(CC=O)C=CC=C1 W16821 [1,1,0,0,0,0|1,0,1]=4 181 B10R1.4 CC1=C(CON)C=CC=C1 D77271 [1,1,0,0,0,0|1,0,0]=3 182 B10R1.4 CCCC1=C(C)C=CC=C1 T71577 [1,1,0,0,0,0|0,0,0]=2 183 B10R1.4 CCCC1=CN=CN=C1Cl F11792 [1,1,0,0,0,0|2,0,0]=4 184 B10R1.4 CCNC1=C(F)C=CC=C1 D87863 [1,1,0,0,0,0|1,0,0]=3 185 B10R1.4 CCNC1=CC=CN=C1O F30124 [1,1,0,0,0,0|2,0,0]=4 186 B10R1.4 CCNC1=NC=CC=C1N AC7989 [1,1,0,0,0,0|2,0,0]=4 187 B10R1.4 CCOC1=C(C)C=CN=C1 AC4346 [1,1,0,0,0,0|2,0,0]=4 188 B10R1.4 CCOC1=C(F)C=CC=N1 F53248 [1,1,0,0,0,0|2,0,0]=4 189 B10R1.4 CCOC1=CC=CN=C1Cl W17868 [1,1,0,0,0,0|2,0,0]=4 190 B10R1.4 CCSC1=C(Br)C=CC=C1 AT20838 [1,1,0,0,0,0|1,0,0]=3 191 B10R1.4 CCSC1=C(O)C=CC=C1 AT20889 [1,1,0,0,0,0|1,0,0]=3 192 B10R1.4 CNCC1=C(F)C=CC=N1 P10655 [1,1,0,0,0,0|2,0,0]=4 193 B10R1.4 CNCC1=C(F)C=CC=N1 P20450 [1,1,0,0,0,0|2,0,0]=4 194 B10R1.4 CNCC1=C(N)C=CC=C1 F13330 [1,1,0,0,0,0|1,0,0]=3 195 B10R1.4 NC1=C(CCF)C=NC=C1 P14647 [1,1,0,0,0,0|2,0,0]=4 196 B10R1.4 NCCN1C=CC=CC1=O F15207 [1,1,0,0,0,0|1,0,0]=3 197 B10R1.4 NCCN1C=CC=NC1=O AT13871 [1,1,0,0,0,0|2,0,0]=4 198 B10R1.4 NCCN1C=NC=CC1=O AT13878 [1,1,0,0,0,0|2,0,0]=4 199 B10R1.4 NNCC1=C(Cl)C=CC=C1 W12211 [1,1,0,0,0,0|1,0,0]=3 200 B10R1.4 O=C1C=CC=CN1CCBr AT19229 [1,1,0,0,0,0|2,0,0]=4 201 B10R1.4 O=CCC1=C(Cl)C=CC=C1 W16822 [1,1,0,0,0,0|1,0,1]=4 202 B10R1.10 CC1=CC=CC(CC=O)=C1 74805 [1,1,0,0,0,0|1,0,1]=4 203 B10R1.10 CC1=CC=CC(CCBr)=N1 AC6969 [1,1,0,0,0,0|2,0,0]=4 204 B10R1.10 CC1=CC=CC(CCN)=N1 P19093 [1,1,0,0,0,0|1,0,0]=3 205 B10R1.10 CC1=NC=CC(CNN)=C1 F52070 [1,1,0,0,0,0|2,0,0]=4 206 B10R1.10 CC1=NC=CC(CNN)=C1 F52466 [1,1,0,0,0,0|2,0,0]=4 207 B10R1.10 CCCC1=CC=CC(F)=C1 36946 [1,1,0,0,0,0|0,0,0]=2 208 B10R1.10 CCNC1=CC=CC(Cl)=C1 L10102 [1,1,0,0,0,0|1,0,0]=3 209 B10R1.10 CCNC1=CC=CC(O)=C1 F16135 [1,1,0,0,0,0|1,0,0]=3 210 B10R1.10 CCOC1=CC=CC(S)=C1 T73015 [1,1,0,0,0,0|1,0,0]=3 211 B10R1.10 CCSC1=CC(N)=CC=C1 AT20857 [1,1,0,0,0,0|1,0,0]=3 212 B10R1.10 CNCC1=CC(Cl)=NC=C1 AT26616 [1,1,0,0,0,0|2,0,0]=4 213 B10R1.10 CNCC1=NC(C)=CC=C1 D87644 [1,1,0,0,0,0|2,0,0]=4 214 B10R1.10 CNCC1=NC=CC(Cl)=C1 CS1254 [1,1,0,0,0,0|2,0,0]=4 215 B10R1.10 COCC1=CC(N)=CC=C1 30379 [1,1,0,0,0,0|1,0,0]=3 216 B10R1.10 CSCC1=CC(N)=CC=C1 AT15211 [1,1,0,0,0,0|1,0,0]=3 217 B10R1.10 NCCC1=CC=CC(I)=C1 C78608 [1,1,0,0,0,0|0,0,0]=2 218 B10R1.10 NNCC1=CC(Br)=CN=C1 P11105 [1,1,0,0,0,0|2,0,0]=4 219 B10R1.10 NNCC1=CC=CC(Cl)=C1 P15270 [1,1,0,0,0,0|1,0,0]=3 220 B10R1.10 NNCC1=CC=CC(O)=C1 D87672 [1,1,0,0,0,0|1,0,0]=3 221 B10R1.10 N\N=C\C1=CC=CC(O)=C1 F15561 [1,1,0,0,0,0|1,0,1]=4 222 B10R1.10 O=CCC1=CC=CC(Cl)=C1 W16823 [1,1,0,0,0,0|1,0,1]=4 223 B10R1.15 C=C(CO)C1=CC=CC=C1 A11577 [1,1,0,0,0,0|1,0,1]=4 224 B10R1.15 CCC(=O)C1=CC=NC=C1 N12310 [1,1,0,0,0,0|1,0,1]=4 225 B10R1.15 CCN(C)C1=NC=CC=C1 T72928 [1,1,0,0,0,0|2,0,0]=4 226 B10R1.15 CC[C@H](N)C1=CC=CC=C1 N12648 [1,1,0,0,0,0|0,0,0]=2 227 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10611 [1,1,0,0,0,0|1,0,0]=3 228 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P11367 [1,1,0,0,0,0|2,0,0]=4 229 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P15053 [1,1,0,0,0,0|2,0,0]=4 230 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 L10186 [1,1,0,0,0,0|1,0,0]=3 231 B10R1.15 COC(=N)C1=CC=CC=C1 W12775 [1,1,0,0,0,0|1,0,1]=4 232 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1146 [1,1,0,0,0,0|1,0,1]=4 233 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1167 [1,1,0,0,0,0|1,0,1]=4 234 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10550 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10551 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14528 [1,1,0,0,0,0|1,0,0]=3 237 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14530 [1,1,0,0,0,0|1,0,0]=3 238 B10R1.15 NCC(=O)C1=CN=CC=C1 D87739 [1,1,0,0,0,0|1,0,1]=4 239 B10R1.15 NCC(=O)C1=CN=CC=C1 F13353 [1,1,0,0,0,0|1,0,1]=4 240 B10R1.15 NC[C@H](O)C1=CC=NC=C1 C78562 [1,1,0,0,0,0|1,0,0]=3 241 B10R1.15 NC[C@H](O)C1=CN=CC=C1 33361 [1,1,0,0,0,0|1,0,0]=3 242 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y11546 [1,1,0,0,0,0|2,0,0]=4 243 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y12429 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12120 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12118 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12119 [1,1,0,0,0,0|2,0,0]=4 247 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12430 [1,1,0,0,0,0|2,0,0]=4 248 B10R1.15 O[C@@H](CCl)C1=CN=CC=C1 Y10944 [1,1,0,0,0,0|2,0,0]=4 249 B10R1.17 BrCCSC1=CC=NC=C1 AT18153 [1,1,0,0,0,0|2,0,0]=4 250 B10R1.17 CCCCC1=CC=CN=N1 O10974 [1,1,0,0,0,0|2,0,0]=4 251 B10R1.17 CNCCC1=CC=CN=C1 C73747 [1,1,0,0,0,0|1,0,0]=3 252 B10R1.17 CNCCC1=CC=NC=C1 AR1715 [1,1,0,0,0,0|1,0,0]=3 253 B10R1.17 CNNCC1=NC=CC=C1 30190 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.17 FCCNC1=CC=CC=C1 D77931 [1,1,0,0,0,0|1,0,0]=3 255 B10R1.17 NCCNC1=NC=CC=C1 O12009 [1,1,0,0,0,0|1,0,0]=3 256 B10R1.17 NCCNC1=NC=CC=N1 AT18241 [1,1,0,0,0,0|2,0,0]=4 257 B10R1.17 NCCOC1=NC=CC=N1 AT18221 [1,1,0,0,0,0|2,0,0]=4 258 B10R1.17 NC\C=C\C1=CC=CC=C1 A12523 [1,1,0,0,0,0|0,0,1]=3 259 B10R1.17 NNCCC1=CC=CC=C1 AC4670 [1,1,0,0,0,0|0,0,0]=2 260 B10R1.17 NOCCC1=CC=CC=C1 C10179 [1,1,0,0,0,0|0,0,0]=2 261 B10R1.17 O=CCCC1=NC=CC=C1 P20552 [1,1,0,0,0,0|1,0,1]=4 262 B10R1.17 O=CCOC1=CC=CC=C1 C15303 [1,1,0,0,0,0|1,0,1]=4 263 B10R1.17 OCCCC1=CCC=CC1 72320 [1,1,0,0,0,0|0,0,2]=4 264 B10R1.17 OCCCC1=CN=CC=C1 AC5531 [1,1,0,0,0,0|1,0,0]=3 265 B10R1.17 OCCOC1=NC=CC=C1 C90307 [1,1,0,0,0,0|2,0,0]=4 266 B10R1.17 SCCCC1=CN=CC=C1 F18019 [1,1,0,0,0,0|1,0,0]=3 267 B10R1.17 SCCCC1=NC=CC=C1 F18728 [1,1,0,0,0,0|1,0,0]=3 268 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 Y10705 [0,1,0,0,1,0|1,0,0]=3 269 B10R1.13 CC1=CN=C([C@H](C)N)C=N1 56573 [0,1,0,0,1,0|2,0,0]=4 270 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 56564 [0,1,0,0,1,0|1,0,0]=3 271 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 56569 [0,1,0,0,1,0|1,0,0]=3 272 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 AT10886 [0,1,0,0,1,0|2,0,0]=4 273 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 AT10887 [0,1,0,0,1,0|2,0,0]=4 274 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 C90363 [0,1,0,0,1,0|2,0,0]=4 275 B10R1.13 CN(C)C1=CC=C(S)C=C1 T70960 [0,1,0,0,1,0|2,0,0]=4 276 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 F16941 [0,1,0,0,1,0|0,0,0]=2 277 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 N12656 [0,1,0,0,1,0|0,0,0]=2 278 B10R1.13 C[C@H](N)C1=CN=C(Br)C=C1 N11221 [0,1,0,0,1,0|1,0,0]=3 279 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 D81683 [0,1,0,0,1,0|1,0,0]=3 280 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 Y10703 [0,1,0,0,1,0|1,0,0]=3 281 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 90531 [0,1,0,0,1,0|1,0,0]=3 282 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 N16973 [0,1,0,0,1,0|1,0,0]=3 283 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 90529 [0,1,0,0,1,0|1,0,0]=3 284 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 91194 [0,1,0,0,1,0|2,0,0]=4 285 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 P12221 [0,1,0,0,1,0|2,0,0]=4 286 B10R1.13 C[C@H](O)C1=CN=C(F)C=C1 AT10687 [0,1,0,0,1,0|2,0,0]=4 287 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10690 [0,1,0,0,1,0|2,0,0]=4 288 B10R1.13 NC1=CC=C(C(F)F)C=C1 84195 [0,1,0,0,1,0|2,0,0]=4 289 B10R1.28 CC(C)(C)C1=NC=CC=C1 C75774 [0,1,0,0,1,0|2,0,0]=4 290 B10R1.28 CC(C)(N)C1=NC=CC=N1 AT12626 [0,1,0,0,1,0|2,0,0]=4 291 B10R1.28 CC(C)(N)C1=NC=CC=N1 D75134 [0,1,0,0,1,0|2,0,0]=4 292 B10R1.28 FC(F)(Cl)C1=CC=CC=C1 36909 [0,1,0,0,1,0|2,0,0]=4 293 B10R1.28 [2H]C(C)(C)C1=CC=CC=C1 D98007 [0,1,0,0,1,0|1,0,0]=3 294 B10R1.28 [2H]C([2H])(Br)C1=CC=CC=C1 D99472 [0,1,0,0,1,0|2,0,0]=4 295 B10R1.28 [2H]C([2H])(C)C1=CC=CC=C1 D99069 [0,1,0,0,1,0|1,0,0]=3 296 B10R1.28 [2H]C([2H])(O)C1=CC=CC=C1 AT24168 [0,1,0,0,1,0|2,0,0]=4 297 B10R1.28 [2H][C@@](C)(O)C1=CC=CC=C1 D98825 [0,1,0,0,1,0|1,0,0]=3 298 B10R1.61 C=C(C)C1=C(I)C=CC=C1 E72643 [0,1,0,0,1,0|1,0,1]=4 299 B10R1.61 CC(=O)C1=C(S)C=CC=C1 93483 [0,1,0,0,1,0|1,0,1]=4 300 B10R1.61 CC1=C(C(C)C)C=CC=C1 T71005 [0,1,0,0,1,0|1,0,0]=3 301 B10R1.61 C[C@H](Br)C1=C(Cl)C=CC=C1 C77623 [0,1,0,0,1,0|1,0,0]=3 302 B10R1.61 C[C@H](Cl)C1=C(Cl)C=CC=C1 A11172 [0,1,0,0,1,0|1,0,0]=3 303 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 70081 [0,1,0,0,1,0|1,0,0]=3 304 B10R1.61 C[C@H](N)C1=C(Cl)C=NC=C1 N14402 [0,1,0,0,1,0|1,0,0]=3 305 B10R1.61 C[C@H](N)C1=C(O)C=CC=N1 N14916 [0,1,0,0,1,0|1,0,0]=3 306 B10R1.61 C[C@H](N)C1=CC=CN=C1N P19332 [0,1,0,0,1,0|1,0,0]=3 307 B10R1.61 C[C@H](O)C1=C(N)N=CC=C1 C10363 [0,1,0,0,1,0|2,0,0]=4 308 B10R1.61 N=C(N)C1=C(F)C=CC=C1 W10322 [0,1,0,0,1,0|1,0,1]=4 309 B10R1.113 C=C(C)C1=CC=CC(Br)=C1 AC1303 [0,1,0,0,1,0|1,0,1]=4 310 B10R1.113 CC(C)C1=CC(Cl)=NC=C1 D71924 [0,1,0,0,1,0|2,0,0]=4 311 B10R1.113 CC1=CC=CC(C(C)C)=C1 T71023 [0,1,0,0,1,0|1,0,0]=3 312 B10R1.113 CC1=CC=CC([C@H](C)N)=N1 N13137 [0,1,0,0,1,0|1,0,0]=3 313 B10R1.113 CC1=NC=CC([C@H](C)O)=C1 F13150 [0,1,0,0,1,0|2,0,0]=4 314 B10R1.113 CN(N)C1=CC=CC(Br)=N1 95484 [0,1,0,0,1,0|2,0,0]=4 315 B10R1.113 C[C@H](Br)C1=CC(Cl)=CC=C1 55213 [0,1,0,0,1,0|1,0,0]=3 316 B10R1.113 C[C@H](Br)C1=CC=CC(Br)=C1 55217 [0,1,0,0,1,0|1,0,0]=3 317 B10R1.113 C[C@H](Br)C1=CC=CC(Br)=N1 55243 [0,1,0,0,1,0|2,0,0]=4 318 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 90822 [0,1,0,0,1,0|1,0,0]=3 319 B10R1.113 C[C@H](N)C1=CC(Br)=NC=C1 AC3205 [0,1,0,0,1,0|1,0,0]=3 320 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 90825 [0,1,0,0,1,0|1,0,0]=3 321 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 N10537 [0,1,0,0,1,0|1,0,0]=3 322 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 N13087 [0,1,0,0,1,0|1,0,0]=3 323 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 90539 [0,1,0,0,1,0|1,0,0]=3 324 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 90540 [0,1,0,0,1,0|1,0,0]=3 325 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 70883 [0,1,0,0,1,0|0,0,0]=2 326 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y11581 [0,1,0,0,1,0|0,0,0]=2 327 B10R1.113 C[C@H](N)C1=CC=CC(N)=N1 D81409 [0,1,0,0,1,0|1,0,0]=3 328 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 F16880 [0,1,0,0,1,0|0,0,0]=2 329 B10R1.113 C[C@H](N)C1=NC=CC(Br)=C1 90526 [0,1,0,0,1,0|1,0,0]=3 330 B10R1.113 C[C@H](N)C1=NC=CC(Cl)=C1 N14934 [0,1,0,0,1,0|1,0,0]=3 331 B10R1.113 C[C@H](N)C1=NC=CC(Cl)=C1 N14935 [0,1,0,0,1,0|1,0,0]=3 332 B10R1.113 C[C@H](O)C1=CC(F)=CN=C1 AT10686 [0,1,0,0,1,0|2,0,0]=4 333 B10R1.113 C[C@H](O)C1=CC(N)=NC=C1 CS1317 [0,1,0,0,1,0|2,0,0]=4 334 B10R1.113 C[C@H](O)C1=CC=CC(F)=C1 SC1245 [0,1,0,0,1,0|1,0,0]=3 335 B10R1.113 C[C@H](O)C1=CC=CC(F)=N1 AT10689 [0,1,0,0,1,0|2,0,0]=4 336 B10R1.113 C[C@H](O)C1=CC=CC(O)=C1 59959 [0,1,0,0,1,0|1,0,0]=3 337 B10R1.113 C[C@H](O)C1=NC=CC(F)=C1 AT10691 [0,1,0,0,1,0|2,0,0]=4 338 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 F50248 [0,1,0,0,1,0|2,0,0]=4 339 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 F50315 [0,1,0,0,1,0|2,0,0]=4 340 B10R1.113 FC(F)C1=CC=CC(S)=C1 97706 [0,1,0,0,1,0|2,0,0]=4 341 B10R1.113 NC(=S)C1=CC=CC(I)=C1 A10482 [0,1,0,0,1,0|1,0,1]=4 342 B10R1.23 CC(C)[C@H](N)C1=CC=CO1 N16714 [0,1,0,0,1,0|2,0,0]=4 343 B10R1.23 CC(C)[C@H](N)C1=COC=C1 N16723 [0,1,0,0,1,0|2,0,0]=4 344 B10R1.23 CC(C)[C@H](N)C1=COC=C1 N16724 [0,1,0,0,1,0|2,0,0]=4 345 B10R1.23 CC(O)C(N)C1=CC=CO1 N16789 [0,1,0,0,1,0|2,0,0]=4 346 B10R1.23 CC(O)C(N)C1=COC=C1 N16790 [0,1,0,0,1,0|2,0,0]=4 347 B10R1.23 C[C@@H](O)[C@H](N)C1=CC=CO1 N16786 [0,1,0,0,1,0|2,0,0]=4 348 B10R1.23 C[C@@H](O)[C@H](N)C1=CC=CO1 N16788 [0,1,0,0,1,0|2,0,0]=4 349 B10R1.23 C[C@@H](O)[C@H](N)C1=COC=C1 N16791 [0,1,0,0,1,0|2,0,0]=4 350 B10R1.23 C[C@@H](O)[C@H](N)C1=COC=C1 N16793 [0,1,0,0,1,0|2,0,0]=4 351 B10R1.23 C[C@H](O)[C@H](N)C1=CC=CO1 N16785 [0,1,0,0,1,0|2,0,0]=4 352 B10R1.23 C[C@H](O)[C@H](N)C1=CC=CO1 N16787 [0,1,0,0,1,0|2,0,0]=4 353 B10R1.23 C[C@H](O)[C@H](N)C1=COC=C1 N16792 [0,1,0,0,1,0|2,0,0]=4 354 B10R1.281 CC(C)(O)CC1=CSC=C1 F13451 [0,1,0,0,1,0|2,0,0]=4 355 B12R1.21 CC(=O)CSC1=CC=C(Br)C=C1 21292 [0,1,0,0,0,1|1,0,1]=4 356 B12R1.21 CC(C)NCC1=CC=C(Br)C=C1 C78335 [0,1,0,0,0,1|1,0,0]=3 357 B12R1.21 CC(C)NCC1=CC=C(Cl)C=C1 C78202 [0,1,0,0,0,1|1,0,0]=3 358 B12R1.21 CC(C)NCC1=CC=C(F)C=C1 C77883 [0,1,0,0,0,1|1,0,0]=3 359 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 C78416 [0,1,0,0,0,1|1,0,0]=3 360 B12R1.21 CC1=CC=C(OC[C@H](C)N)C=C1 C78123 [0,1,0,0,0,1|0,0,0]=2 361 B12R1.21 C[C@H](N)CCC1=CC=C(Br)C=C1 84991 [0,1,0,0,0,1|0,0,0]=2 362 B12R1.21 C[C@H](N)CCC1=CC=C(O)C=C1 N14377 [0,1,0,0,0,1|0,0,0]=2 363 B12R1.21 C[C@H](N)COC1=CC=C(Br)C=C1 C78409 [0,1,0,0,0,1|0,0,0]=2 364 B12R1.21 C[C@H](N)COC1=CC=C(F)C=C1 C77796 [0,1,0,0,0,1|0,0,0]=2 365 B12R1.21 NC(=O)COC1=CC=C(Br)C=C1 88302 [0,1,0,0,0,1|1,0,1]=4 366 B12R1.27 C[C@@H](C=O)OCC1=CC=CC=C1 C10570 [0,1,0,0,0,1|1,0,0]=3 367 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 AT22580 [0,1,0,0,0,1|1,0,0]=3 368 B12R1.43 C[C@H](N)C(=O)NC1=CC=CC=C1 F15365 [0,1,0,0,0,1|0,0,1]=3 369 B12R1.43 C[C@H](N)C(=O)OC1=CC=CC=C1 F52322 [0,1,0,0,0,1|0,0,1]=3 370 B12R1.43 C[C@H](O)C(=O)NC1=CC=CC=C1 F15116 [0,1,0,0,0,1|1,0,1]=4 371 B12R1.107 CC(C)CC(=O)C1=CN=CC=C1 F30170 [0,1,0,0,0,1|2,0,0]=4 372 B12R1.107 CC(C)CC(=O)C1=NC=CC=C1 F30232 [0,1,0,0,0,1|2,0,0]=4 373 B12R1.107 CC(C)C[C@H](N)C1=CC=NC=C1 AC7589 [0,1,0,0,0,1|2,0,0]=4 374 B12R1.107 CC(C)C[C@H](O)C1=CN=CC=C1 F50992 [0,1,0,0,0,1|2,0,0]=4 375 B12R1.107 CC(C)N[C@@H](C)C1=CC=CC=C1 A11925 [0,1,0,0,0,1|1,0,0]=3 376 B12R1.107 CN(C)C[C@H](O)C1=CC=CC=C1 C78399 [0,1,0,0,0,1|2,0,0]=4 377 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 C11665 [0,1,0,0,0,1|1,0,1]=4 378 B12R1.125 CC(=O)SCC1=C(Cl)C=CC=C1 W11173 [0,1,0,0,0,1|1,0,1]=4 379 B12R1.125 CC(C)NCC1=C(Br)C=CC=C1 C78572 [0,1,0,0,0,1|1,0,0]=3 380 B12R1.125 CC(C)NCC1=C(Cl)C=CC=C1 C78237 [0,1,0,0,0,1|1,0,0]=3 381 B12R1.125 CC(C)NCC1=C(F)C=CC=C1 C78588 [0,1,0,0,0,1|1,0,0]=3 382 B12R1.125 CC(C)OCC1=C(Br)C=CC=C1 N10193 [0,1,0,0,0,1|1,0,0]=3 383 B12R1.226 CC(C)NCC1=CC=CC(Br)=C1 C77759 [0,1,0,0,0,1|1,0,0]=3 384 B12R1.226 CC(C)NCC1=CC=CC(Cl)=C1 C78565 [0,1,0,0,0,1|1,0,0]=3 385 B12R1.226 CC(C)NCC1=CC=CC(F)=C1 C78564 [0,1,0,0,0,1|1,0,0]=3 386 B12R1.226 CC(C)OCC1=CC(N)=CC=C1 F20261 [0,1,0,0,0,1|1,0,0]=3 387 B12R1.226 CC1=CC=CC(CNC(C)C)=C1 C78583 [0,1,0,0,0,1|1,0,0]=3 388 B12R1.226 CC1=CC=CC(OC[C@H](C)N)=C1 F50497 [0,1,0,0,0,1|0,0,0]=2 389 B12R1.226 NC(=O)CCC1=CC=CC(Br)=C1 F20007 [0,1,0,0,0,1|1,0,1]=4 390 B12R1.226 NC(=O)CCC1=CC=CC(Cl)=C1 D87293 [0,1,0,0,0,1|1,0,1]=4 391 B12R1.891 NS(=O)(=O)NCC1=CC=CC=C1 C11055 [0,1,0,0,0,1|2,0,0]=4 392 B12R1.891 [2H]C([2H])(O)COC1=CC=CC=C1 D99604 [0,1,0,0,0,1|2,0,0]=4 393 B12R1.891 [2H]C([2H])([2H])NCC1=CC=CC=C1 D98771 [0,1,0,0,0,1|2,0,0]=4 394 B12R1.4 CC(C)SC1=CC=C(CCl)C=C1 AT20997 [0,2,0,0,0,0|2,0,0]=4 395 B12R1.4 CC(C)SC1=CC=C(CO)C=C1 AT20984 [0,2,0,0,0,0|2,0,0]=4 396 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 S12245 [0,2,0,0,0,0|1,0,1]=4 397 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13082 [0,2,0,0,0,0|0,0,0]=2 398 B12R1.4 COC1=CC=C(NC(C)C)C=C1 C77952 [0,2,0,0,0,0|2,0,0]=4 399 B12R1.4 NNC1=CC=C(CC(N)=O)C=C1 F30826 [0,2,0,0,0,0|1,0,1]=4 400 B12R1.19 CC(C)CC1=CC(Br)=C(N)N=C1 N10717 [0,2,0,0,0,0|2,0,0]=4 401 B12R1.19 C[C@H](N)CC1=CC(Cl)=C(Cl)C=C1 N10880 [0,2,0,0,0,0|0,0,0]=2 402 B12R1.19 C[C@H](N)CC1=CC(F)=C(F)C=C1 N11068 [0,2,0,0,0,0|0,0,0]=2 403 B12R1.19 C[C@H](N)CC1=CC(F)=C(F)C=C1 N14355 [0,2,0,0,0,0|0,0,0]=2 404 B12R1.19 N=C(N)CC1=CC(F)=C(F)C=C1 S11009 [0,2,0,0,0,0|1,0,1]=4 405 B12R1.20 CC(=O)[C@H](N)C1=CC=C(Br)C=C1 N15666 [0,2,0,0,0,0|1,0,1]=4 406 B12R1.20 CC(=O)[C@H](N)C1=CC=C(C)C=C1 N15700 [0,2,0,0,0,0|1,0,1]=4 407 B12R1.20 CC(=O)[C@H](N)C1=CC=C(Cl)C=C1 N15653 [0,2,0,0,0,0|1,0,1]=4 408 B12R1.20 CC(=O)[C@H](N)C1=CC=C(F)C=C1 N15652 [0,2,0,0,0,0|1,0,1]=4 409 B12R1.20 CC(=O)[C@H](N)C1=CC=C(N)C=C1 N16145 [0,2,0,0,0,0|1,0,1]=4 410 B12R1.20 CC(C)[C@H](N)C1=CC=C(Br)C=C1 N12796 [0,2,0,0,0,0|1,0,0]=3 411 B12R1.20 CC(C)[C@H](N)C1=CC=C(Br)C=C1 N12886 [0,2,0,0,0,0|1,0,0]=3 412 B12R1.20 CC(C)[C@H](N)C1=CC=C(Cl)C=C1 C78465 [0,2,0,0,0,0|1,0,0]=3 413 B12R1.20 CC(C)[C@H](N)C1=CC=C(Cl)C=C1 F31298 [0,2,0,0,0,0|1,0,0]=3 414 B12R1.20 CC(C)[C@H](N)C1=CC=C(F)C=C1 N12546 [0,2,0,0,0,0|1,0,0]=3 415 B12R1.20 CC(C)[C@H](N)C1=CC=C(F)C=C1 N12875 [0,2,0,0,0,0|1,0,0]=3 416 B12R1.20 CC(N)C(O)C1=CC=C(Cl)C=C1 26032 [0,2,0,0,0,0|0,0,0]=2 417 B12R1.20 CC(O)C(N)C1=CC=C(Br)C=C1 N15665 [0,2,0,0,0,0|1,0,0]=3 418 B12R1.20 CC(O)C(N)C1=CC=C(Cl)C=C1 N15654 [0,2,0,0,0,0|1,0,0]=3 419 B12R1.20 CC(O)C(N)C1=CC=C(F)C=C1 N15651 [0,2,0,0,0,0|1,0,0]=3 420 B12R1.20 CC(O)C(N)C1=CC=C(N)C=C1 N16144 [0,2,0,0,0,0|1,0,0]=3 421 B12R1.20 CC(O)C(N)C1=CC=C(O)C=C1 N15674 [0,2,0,0,0,0|1,0,0]=3 422 B12R1.20 CC(O)[C@H](N)C1=CC=C(Br)C=C1 N15664 [0,2,0,0,0,0|1,0,0]=3 423 B12R1.20 CC(O)[C@H](N)C1=CC=C(Cl)C=C1 N15655 [0,2,0,0,0,0|1,0,0]=3 424 B12R1.20 CC(O)[C@H](N)C1=CC=C(F)C=C1 N15650 [0,2,0,0,0,0|1,0,0]=3 425 B12R1.20 CC(O)[C@H](N)C1=CC=C(O)C=C1 N15675 [0,2,0,0,0,0|1,0,0]=3 426 B12R1.20 CC1=CC=C(C(N)C(C)O)C=C1 N15701 [0,2,0,0,0,0|1,0,0]=3 427 B12R1.20 CC1=CC=C([C@@H](N)C(C)O)C=C1 N15702 [0,2,0,0,0,0|1,0,0]=3 428 B12R1.20 CC1=CC=C([C@@H](N)[C@@H](C)O)C=C1 N15703 [0,2,0,0,0,0|1,0,0]=3 429 B12R1.20 CC1=CC=C([C@@H](N)[C@@H](C)O)C=C1 N15705 [0,2,0,0,0,0|1,0,0]=3 430 B12R1.20 CC1=CC=C([C@@H](N)[C@H](C)O)C=C1 N15704 [0,2,0,0,0,0|1,0,0]=3 431 B12R1.20 C[C@@H](C(N)=O)C1=CC=C(Br)C=C1 AC1413 [0,2,0,0,0,0|1,0,1]=4 432 B12R1.20 C[C@@H](C1=CC=C(Br)C=C1)N(C)C N11474 [0,2,0,0,0,0|2,0,0]=4 433 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(Br)C=C1 N15660 [0,2,0,0,0,0|1,0,0]=3 434 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(Br)C=C1 N15662 [0,2,0,0,0,0|1,0,0]=3 435 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(Cl)C=C1 N15657 [0,2,0,0,0,0|1,0,0]=3 436 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(Cl)C=C1 N15659 [0,2,0,0,0,0|1,0,0]=3 437 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(F)C=C1 N15647 [0,2,0,0,0,0|1,0,0]=3 438 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(F)C=C1 N15649 [0,2,0,0,0,0|1,0,0]=3 439 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(N)C=C1 N16141 [0,2,0,0,0,0|1,0,0]=3 440 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(N)C=C1 N16143 [0,2,0,0,0,0|1,0,0]=3 441 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(O)C=C1 N15676 [0,2,0,0,0,0|1,0,0]=3 442 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(O)C=C1 N15678 [0,2,0,0,0,0|1,0,0]=3 443 B12R1.20 C[C@H](Cl)C(=O)C1=CC=C(F)C=C1 C16405 [0,2,0,0,0,0|1,0,1]=4 444 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(Br)C=C1 N15661 [0,2,0,0,0,0|1,0,0]=3 445 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(Cl)C=C1 N15656 [0,2,0,0,0,0|1,0,0]=3 446 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(F)C=C1 N15648 [0,2,0,0,0,0|1,0,0]=3 447 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(N)C=C1 N16142 [0,2,0,0,0,0|1,0,0]=3 448 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(O)C=C1 N15677 [0,2,0,0,0,0|1,0,0]=3 449 B12R1.20 NC(=O)[C@H](N)C1=CC=C(F)C=C1 C77553 [0,2,0,0,0,0|1,0,1]=4 450 B12R1.20 N[C@H](C1=CC=C(Br)C=C1)C(F)F 94364 [0,2,0,0,0,0|2,0,0]=4 451 B12R1.20 N[C@H](C1=CC=C(Cl)C=C1)C(F)F 94366 [0,2,0,0,0,0|2,0,0]=4 452 B12R1.20 N[C@H](C1=CC=C(F)C=C1)C(F)F 94365 [0,2,0,0,0,0|2,0,0]=4 453 B12R1.49 CC1=CC=C(C[C@H](N)CO)C=C1 C78159 [0,2,0,0,0,0|0,0,0]=2 454 B12R1.49 CC1=CC=C(C[C@H](N)CO)C=C1 C78527 [0,2,0,0,0,0|0,0,0]=2 455 B12R1.49 CCC(=O)CC1=CC=C(Cl)C=C1 N12627 [0,2,0,0,0,0|1,0,1]=4 456 B12R1.49 CCC(=O)CC1=CC=C(I)C=C1 85181 [0,2,0,0,0,0|1,0,1]=4 457 B12R1.49 CC[C@H](N)CC1=CC=C(C)C=C1 N12825 [0,2,0,0,0,0|0,0,0]=2 458 B12R1.49 CC[C@H](N)CC1=CC=C(Cl)C=C1 N14547 [0,2,0,0,0,0|0,0,0]=2 459 B12R1.49 CC[C@H](N)CC1=CC=C(F)C=C1 N14543 [0,2,0,0,0,0|0,0,0]=2 460 B12R1.49 CC[C@H](N)CC1=CC=C(I)C=C1 85182 [0,2,0,0,0,0|0,0,0]=2 461 B12R1.49 CN[C@@H](C)CC1=CC=C(F)C=C1 N12809 [0,2,0,0,0,0|0,0,0]=2 462 B12R1.49 C[C@@H](CN)OC1=CC=C(Cl)C=C1 C77969 [0,2,0,0,0,0|1,0,0]=3 463 B12R1.49 C[C@H](C=O)CC1=CC=C(Cl)C=C1 C76805 [0,2,0,0,0,0|1,0,0]=3 464 B12R1.49 NC1=CC=C(C[C@H](N)CO)C=C1 Y11240 [0,2,0,0,0,0|0,0,0]=2 465 B12R1.49 NCC(=O)CC1=CC=C(F)C=C1 D87535 [0,2,0,0,0,0|1,0,1]=4 466 B12R1.49 N[C@H](CO)CC1=CC=C(Br)C=C1 C78517 [0,2,0,0,0,0|0,0,0]=2 467 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 AT10694 [0,2,0,0,0,0|0,0,0]=2 468 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 C78160 [0,2,0,0,0,0|0,0,0]=2 469 B12R1.49 N[C@H](CO)CC1=CC=C(I)C=C1 85183 [0,2,0,0,0,0|0,0,0]=2 470 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 C78266 [0,2,0,0,0,0|0,0,0]=2 471 B12R1.106 CC(C)(C)SC1=CC=C(N)C=C1 AT20975 [0,2,0,0,0,0|2,0,0]=4 472 B12R1.106 CC(C)(N)CC1=CC=C(O)C=C1 F30911 [0,2,0,0,0,0|0,0,0]=2 473 B12R1.106 CC(C)(O)CC1=CC=C(Br)C=C1 AT24485 [0,2,0,0,0,0|1,0,0]=3 474 B12R1.106 CC1=CC=C(C[S@@](C)(=N)=O)C=C1 E72404 [0,2,0,0,0,0|1,0,1]=4 475 B12R1.106 CS(=O)(=O)CC1=CC=C(N)C=C1 AC8675 [0,2,0,0,0,0|2,0,0]=4 476 B12R1.106 C[S@](=N)(=O)CC1=CC=C(Br)C=C1 E72408 [0,2,0,0,0,0|1,0,1]=4 477 B12R1.233 CC(=O)CC1=C(Cl)C=C(F)C=C1 F30166 [0,2,0,0,0,0|1,0,1]=4 478 B12R1.233 CC(=O)CC1=C(F)C=C(Cl)C=C1 96498 [0,2,0,0,0,0|1,0,1]=4 479 B12R1.233 CC(C)OC1=C(Br)C=C(Cl)C=C1 C91609 [0,2,0,0,0,0|2,0,0]=4 480 B12R1.233 CN(C)CC1=C(F)C=C(Br)C=C1 N11554 [0,2,0,0,0,0|2,0,0]=4 481 B12R1.233 C[C@H](N)CC1=C(Cl)C=C(Cl)C=C1 N11064 [0,2,0,0,0,0|0,0,0]=2 482 B12R1.233 C[C@H](N)CC1=C(Cl)C=C(F)C=C1 N11062 [0,2,0,0,0,0|0,0,0]=2 483 B12R1.34 CCC(=O)[C@H](C)C1=CC=CC=C1 F30714 [0,2,0,0,0,0|1,0,1]=4 484 B12R1.34 CC[C@H](C)C(=O)C1=CC=CC=C1 N13974 [0,2,0,0,0,0|1,0,1]=4 485 B12R1.34 CNC(=O)[C@H](O)C1=CC=CC=C1 E72123 [0,2,0,0,0,0|1,0,1]=4 486 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 N12667 [0,2,0,0,0,0|1,0,1]=4 487 B12R1.34 C[C@@H](C(=O)NN)C1=CC=CC=C1 AC8780 [0,2,0,0,0,0|1,0,1]=4 488 B12R1.34 N[C@H](CO)[C@H](O)C1=CC=CC=C1 23172 [0,2,0,0,0,0|0,0,0]=2 489 B12R1.34 N[C@H](CO)[C@H](O)C1=CC=CC=C1 AT23147 [0,2,0,0,0,0|0,0,0]=2 490 B12R1.124 CC(=O)[C@H](N)C1=C(Br)C=CC=C1 N15545 [0,2,0,0,0,0|1,0,1]=4 491 B12R1.124 CC(=O)[C@H](N)C1=C(C)C=CC=C1 N15524 [0,2,0,0,0,0|1,0,1]=4 492 B12R1.124 CC(=O)[C@H](N)C1=C(Cl)C=CC=C1 N15542 [0,2,0,0,0,0|1,0,1]=4 493 B12R1.124 CC(=O)[C@H](N)C1=C(F)C=CC=C1 N15536 [0,2,0,0,0,0|1,0,1]=4 494 B12R1.124 CC(C)C(=O)C1=C(Br)C=CC=C1 N13960 [0,2,0,0,0,0|1,0,1]=4 495 B12R1.124 CC(C)[C@H](N)C1=C(F)C=CC=C1 N13028 [0,2,0,0,0,0|1,0,0]=3 496 B12R1.124 CC(C)[C@H](N)C1=C(N)C=CC=C1 N13005 [0,2,0,0,0,0|1,0,0]=3 497 B12R1.124 CC(O)C(N)C1=C(Br)C=CC=C1 N15549 [0,2,0,0,0,0|1,0,0]=3 498 B12R1.124 CC(O)C(N)C1=C(Cl)C=CC=C1 N15543 [0,2,0,0,0,0|1,0,0]=3 499 B12R1.124 CC(O)C(N)C1=C(F)C=CC=C1 N15535 [0,2,0,0,0,0|1,0,0]=3 500 B12R1.124 CC(O)C(N)C1=C(O)C=CC=C1 N15626 [0,2,0,0,0,0|1,0,0]=3 501 B12R1.124 CC(O)[C@H](N)C1=C(Cl)C=CC=C1 N15541 [0,2,0,0,0,0|1,0,0]=3 502 B12R1.124 CC(O)[C@H](N)C1=C(F)C=CC=C1 N15534 [0,2,0,0,0,0|1,0,0]=3 503 B12R1.124 CC(O)[C@H](N)C1=C(O)C=CC=C1 N15627 [0,2,0,0,0,0|1,0,0]=3 504 B12R1.124 CC1=C(C(=O)C(C)C)C=CC=C1 N12569 [0,2,0,0,0,0|1,0,1]=4 505 B12R1.124 CC1=C(C(N)C(C)O)C=CC=C1 N15523 [0,2,0,0,0,0|1,0,0]=3 506 B12R1.124 CC1=C([C@@H](N)C(C)C)C=CC=C1 N12591 [0,2,0,0,0,0|1,0,0]=3 507 B12R1.124 CC1=C([C@@H](N)C(C)O)C=CC=C1 N15525 [0,2,0,0,0,0|1,0,0]=3 508 B12R1.124 CC1=C([C@@H](N)[C@@H](C)O)C=CC=C1 N15527 [0,2,0,0,0,0|1,0,0]=3 509 B12R1.124 CC1=C([C@@H](N)[C@@H](C)O)C=CC=C1 N15529 [0,2,0,0,0,0|1,0,0]=3 510 B12R1.124 CC1=C([C@@H](N)[C@H](C)O)C=CC=C1 N15526 [0,2,0,0,0,0|1,0,0]=3 511 B12R1.124 CC1=CC=CN=C1[C@@H](N)C(C)C N13862 [0,2,0,0,0,0|2,0,0]=4 512 B12R1.124 CC1=CC=CN=C1[C@@H](N)C(C)C N13863 [0,2,0,0,0,0|2,0,0]=4 513 B12R1.124 CC1=CC=CN=C1[C@@H](N)C(C)C N13867 [0,2,0,0,0,0|2,0,0]=4 514 B12R1.124 CC1=CC=CN=C1[C@@H](N)C(C)C N13868 [0,2,0,0,0,0|2,0,0]=4 515 B12R1.124 CC1=CC=CN=C1[C@@H](N)C(C)C N13869 [0,2,0,0,0,0|2,0,0]=4 516 B12R1.124 C[C@@H](O)[C@H](N)C1=C(Br)C=CC=C1 N15544 [0,2,0,0,0,0|1,0,0]=3 517 B12R1.124 C[C@@H](O)[C@H](N)C1=C(Br)C=CC=C1 N15546 [0,2,0,0,0,0|1,0,0]=3 518 B12R1.124 C[C@@H](O)[C@H](N)C1=C(Cl)C=CC=C1 N15537 [0,2,0,0,0,0|1,0,0]=3 519 B12R1.124 C[C@@H](O)[C@H](N)C1=C(Cl)C=CC=C1 N15539 [0,2,0,0,0,0|1,0,0]=3 520 B12R1.124 C[C@@H](O)[C@H](N)C1=C(F)C=CC=C1 N15530 [0,2,0,0,0,0|1,0,0]=3 521 B12R1.124 C[C@@H](O)[C@H](N)C1=C(F)C=CC=C1 N15532 [0,2,0,0,0,0|1,0,0]=3 522 B12R1.124 C[C@@H](O)[C@H](N)C1=C(N)C=CC=C1 N16152 [0,2,0,0,0,0|1,0,0]=3 523 B12R1.124 C[C@@H](O)[C@H](N)C1=C(N)C=CC=C1 N16154 [0,2,0,0,0,0|1,0,0]=3 524 B12R1.124 C[C@@H](O)[C@H](N)C1=C(O)C=CC=C1 N15629 [0,2,0,0,0,0|1,0,0]=3 525 B12R1.124 C[C@@H](O)[C@H](N)C1=C(O)C=CC=C1 N15631 [0,2,0,0,0,0|1,0,0]=3 526 B12R1.124 C[C@H](O)[C@H](N)C1=C(Br)C=CC=C1 N15548 [0,2,0,0,0,0|1,0,0]=3 527 B12R1.124 C[C@H](O)[C@H](N)C1=C(Cl)C=CC=C1 N15538 [0,2,0,0,0,0|1,0,0]=3 528 B12R1.124 C[C@H](O)[C@H](N)C1=C(F)C=CC=C1 N15531 [0,2,0,0,0,0|1,0,0]=3 529 B12R1.124 C[C@H](O)[C@H](N)C1=C(N)C=CC=C1 N16153 [0,2,0,0,0,0|1,0,0]=3 530 B12R1.124 C[C@H](O)[C@H](N)C1=C(O)C=CC=C1 N15628 [0,2,0,0,0,0|1,0,0]=3 531 B12R1.225 CC(=O)[C@H](N)C1=CC(N)=CC=C1 N16146 [0,2,0,0,0,0|1,0,1]=4 532 B12R1.225 CC(=O)[C@H](N)C1=CC=CC(Br)=C1 N15613 [0,2,0,0,0,0|1,0,1]=4 533 B12R1.225 CC(=O)[C@H](N)C1=CC=CC(Cl)=C1 N15638 [0,2,0,0,0,0|1,0,1]=4 534 B12R1.225 CC(=O)[C@H](N)C1=CC=CC(F)=C1 N15639 [0,2,0,0,0,0|1,0,1]=4 535 B12R1.225 CC(C)C(=O)C1=CC=CC(Cl)=C1 N13957 [0,2,0,0,0,0|1,0,1]=4 536 B12R1.225 CC(C)C(=O)C1=CC=CC(F)=C1 N13951 [0,2,0,0,0,0|1,0,1]=4 537 B12R1.225 CC(O)C(N)C1=CC(N)=CC=C1 N16147 [0,2,0,0,0,0|1,0,0]=3 538 B12R1.225 CC(O)C(N)C1=CC=CC(Br)=C1 N15614 [0,2,0,0,0,0|1,0,0]=3 539 B12R1.225 CC(O)C(N)C1=CC=CC(Cl)=C1 N15637 [0,2,0,0,0,0|1,0,0]=3 540 B12R1.225 CC(O)C(N)C1=CC=CC(F)=C1 N15640 [0,2,0,0,0,0|1,0,0]=3 541 B12R1.225 CC(O)C(N)C1=CC=CC(O)=C1 N15625 [0,2,0,0,0,0|1,0,0]=3 542 B12R1.225 CC(O)[C@H](N)C1=CC(N)=CC=C1 N16148 [0,2,0,0,0,0|1,0,0]=3 543 B12R1.225 CC(O)[C@H](N)C1=CC=CC(Br)=C1 N15615 [0,2,0,0,0,0|1,0,0]=3 544 B12R1.225 CC(O)[C@H](N)C1=CC=CC(Cl)=C1 N15636 [0,2,0,0,0,0|1,0,0]=3 545 B12R1.225 CC(O)[C@H](N)C1=CC=CC(F)=C1 N15641 [0,2,0,0,0,0|1,0,0]=3 546 B12R1.225 CC(O)[C@H](N)C1=CC=CC(O)=C1 N15624 [0,2,0,0,0,0|1,0,0]=3 547 B12R1.225 CC1=CC=CC([C@@H](N)C(C)C)=C1 N13039 [0,2,0,0,0,0|1,0,0]=3 548 B12R1.225 C[C@@H](O)[C@H](N)C1=CC(N)=CC=C1 N16149 [0,2,0,0,0,0|1,0,0]=3 549 B12R1.225 C[C@@H](O)[C@H](N)C1=CC(N)=CC=C1 N16151 [0,2,0,0,0,0|1,0,0]=3 550 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(Br)=C1 N15617 [0,2,0,0,0,0|1,0,0]=3 551 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(Br)=C1 N15619 [0,2,0,0,0,0|1,0,0]=3 552 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(Cl)=C1 N15632 [0,2,0,0,0,0|1,0,0]=3 553 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(Cl)=C1 N15634 [0,2,0,0,0,0|1,0,0]=3 554 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(F)=C1 N15642 [0,2,0,0,0,0|1,0,0]=3 555 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(F)=C1 N15644 [0,2,0,0,0,0|1,0,0]=3 556 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(O)=C1 N15620 [0,2,0,0,0,0|1,0,0]=3 557 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(O)=C1 N15622 [0,2,0,0,0,0|1,0,0]=3 558 B12R1.225 C[C@H](N)C(=O)C1=CC(O)=CC=C1 A11727 [0,2,0,0,0,0|0,0,1]=3 559 B12R1.225 C[C@H](N)C(=O)C1=CC=CC(Cl)=C1 AC1513 [0,2,0,0,0,0|0,0,1]=3 560 B12R1.225 C[C@H](N)[C@H](O)C1=CC=CC(O)=C1 F18205 [0,2,0,0,0,0|0,0,0]=2 561 B12R1.225 C[C@H](O)[C@H](N)C1=CC(N)=CC=C1 N16150 [0,2,0,0,0,0|1,0,0]=3 562 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(Cl)=C1 N15635 [0,2,0,0,0,0|1,0,0]=3 563 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(F)=C1 N15643 [0,2,0,0,0,0|1,0,0]=3 564 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(O)=C1 N15621 [0,2,0,0,0,0|1,0,0]=3 565 B12R1.225 N[C@H](C1=CC=CC(Br)=C1)C(F)F 94367 [0,2,0,0,0,0|2,0,0]=4 566 B12R1.225 N[C@H](C1=CC=CC(Cl)=C1)C(F)F 94368 [0,2,0,0,0,0|2,0,0]=4 567 B12R1.225 N[C@H](C1=CC=CC(F)=C1)C(F)F 94369 [0,2,0,0,0,0|2,0,0]=4 568 B12R1.253 CC(=O)C(C)(C)C1=CC=CC=C1 AT22669 [0,2,0,0,0,0|1,0,1]=4 569 B12R1.564 CC(C)(C)[C@H](N)C1=CC=CN=C1 F30932 [0,2,0,0,0,0|2,0,0]=4 570 B12R1.564 CC(C)(C)[C@H](N)C1=CC=NC=C1 F30933 [0,2,0,0,0,0|2,0,0]=4 571 B12R1.564 CC(C)(C)[C@H](N)C1=NC=CC=C1 F30931 [0,2,0,0,0,0|2,0,0]=4 572 B12R1.564 CC(C)(N)C(=O)C1=CC=CC=C1 72852 [0,2,0,0,0,0|0,0,1]=3 573 B12R1.564 CC(C)(O)[C@H](N)C1=CC=CC=C1 AT21614 [0,2,0,0,0,0|1,0,0]=3 574 B12R1.564 CC(C)(O)[C@H](N)C1=CC=CC=C1 C14174 [0,2,0,0,0,0|1,0,0]=3 575 B12R1.564 O[C@H](C1=CC=CC=C1)C(F)(F)F T71562 [0,2,0,0,0,0|2,0,0]=4 576 B12R1.564 [2H]C([2H])(C)C(=O)C1=CC=CC=C1 D99368 [0,2,0,0,0,0|1,0,1]=4 577 B12R1.564 [2H]C([2H])([2H])[C@H](O)C1=CC=CC=C1 D99432 [0,2,0,0,0,0|2,0,0]=4 578 B12R1.32 C#CCN(C)CC1=CC=CC=C1 T72610 [0,2,0,0,0,0|2,0,0]=4 579 B12R1.32 CON[C@@H](C)CC1=CC=CC=C1 D79919 [0,2,0,0,0,0|0,0,0]=2 580 B12R1.50 CC1=CC=CC(C[C@H](N)CO)=C1 C78461 [0,2,0,0,0,0|0,0,0]=2 581 B12R1.50 CCC(=O)CC1=CC=CC(Br)=C1 N14158 [0,2,0,0,0,0|1,0,1]=4 582 B12R1.50 CCC(=O)CC1=CC=CC(F)=C1 N14137 [0,2,0,0,0,0|1,0,1]=4 583 B12R1.50 CC[C@H](N)CC1=CC(C)=CC=C1 N14536 [0,2,0,0,0,0|0,0,0]=2 584 B12R1.50 CC[C@H](N)CC1=CC=CC(Br)=C1 N14532 [0,2,0,0,0,0|0,0,0]=2 585 B12R1.50 CC[C@H](N)CC1=CC=CC(Cl)=C1 N14527 [0,2,0,0,0,0|0,0,0]=2 586 B12R1.50 CC[C@H](N)CC1=CC=CC(F)=C1 N14524 [0,2,0,0,0,0|0,0,0]=2 587 B12R1.50 CNC(=O)CC1=CC(N)=CC=C1 N10567 [0,2,0,0,0,0|1,0,1]=4 588 B12R1.50 CN[C@@H](C)CC1=CC=CC(F)=C1 N12793 [0,2,0,0,0,0|0,0,0]=2 589 B12R1.50 N[C@H](CO)CC1=CC=CC(Br)=C1 C78100 [0,2,0,0,0,0|0,0,0]=2 590 B12R1.50 N[C@H](CO)CC1=CC=CC(Br)=C1 C78242 [0,2,0,0,0,0|0,0,0]=2 591 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 Y11238 [0,2,0,0,0,0|0,0,0]=2 592 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 N11307 [0,2,0,0,0,0|0,0,0]=2 593 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 N12975 [0,2,0,0,0,0|0,0,0]=2 594 B12R1.118 NC[C@@H](CO)CC1=CC=CC=C1 C76076 [0,2,0,0,0,0|0,0,0]=2 595 B12R1.118 NC[C@@H](CO)CC1=CC=NC=C1 C90589 [0,2,0,0,0,0|1,0,0]=3 596 B12R1.371 CC1=C(C[C@H](N)CO)C=CC=C1 C78603 [0,2,0,0,0,0|0,0,0]=2 597 B12R1.371 CC1=C(C[C@H](N)CO)C=CC=C1 N11149 [0,2,0,0,0,0|0,0,0]=2 598 B12R1.371 CC1=C(O[C@@H](C)CN)C=CC=C1 F50684 [0,2,0,0,0,0|1,0,0]=3 599 B12R1.371 CCC(=O)CC1=C(Br)C=CC=C1 N12602 [0,2,0,0,0,0|1,0,1]=4 600 B12R1.371 CCC(=O)CC1=C(C)C=CC=C1 N14163 [0,2,0,0,0,0|1,0,1]=4 601 B12R1.371 CCC(=O)CC1=C(Cl)C=CC=C1 N14147 [0,2,0,0,0,0|1,0,1]=4 602 B12R1.371 CC[C@H](N)CC1=C(Br)C=CC=C1 N14510 [0,2,0,0,0,0|0,0,0]=2 603 B12R1.371 CC[C@H](N)CC1=C(C)C=CC=C1 N14512 [0,2,0,0,0,0|0,0,0]=2 604 B12R1.371 CC[C@H](N)CC1=C(Cl)C=CC=C1 N14502 [0,2,0,0,0,0|0,0,0]=2 605 B12R1.371 CC[C@H](N)CC1=C(F)C=CC=C1 N14507 [0,2,0,0,0,0|0,0,0]=2 606 B12R1.371 NC[C@@H](N)CC1=C(F)C=CC=C1 N14640 [0,2,0,0,0,0|0,0,0]=2 607 B12R1.371 N[C@H](CO)CC1=C(Br)C=CC=C1 C77829 [0,2,0,0,0,0|0,0,0]=2 608 B12R1.371 N[C@H](CO)CC1=C(Cl)C=CC=C1 N11299 [0,2,0,0,0,0|0,0,0]=2 609 B12R1.371 N[C@H](CO)CC1=C(Cl)C=CC=C1 N11304 [0,2,0,0,0,0|0,0,0]=2 610 B12R1.371 N[C@H](CO)CC1=C(F)C=CC=C1 N11418 [0,2,0,0,0,0|0,0,0]=2 611 B12R1.75 CC(C)OC1=C(CN)C=CC=C1 S10925 [0,2,0,0,0,0|2,0,0]=4 612 B12R1.75 CN(C)CC1=C(CN)C=CC=C1 C90142 [0,2,0,0,0,0|2,0,0]=4 613 B12R1.75 COC1=C(C[C@H](C)N)C=CC=C1 N11278 [0,2,0,0,0,0|0,0,0]=2 614 B12R1.75 COC1=C(C[C@H](C)N)C=CC=C1 N11279 [0,2,0,0,0,0|0,0,0]=2 615 B12R1.127 CC(C)NC1=C(N)C=CC(Br)=C1 AC2781 [0,2,0,0,0,0|2,0,0]=4 616 B12R1.127 CC(C)OC1=C(N)C=CC(Br)=C1 53627 [0,2,0,0,0,0|2,0,0]=4 617 B12R1.127 CC(C)OC1=C(N)C=CC(Cl)=C1 95905 [0,2,0,0,0,0|2,0,0]=4 618 B12R1.127 CN(C)CC1=C(Cl)C=CC(Br)=C1 N11590 [0,2,0,0,0,0|2,0,0]=4 619 B12R1.127 CN(C)CC1=C(Cl)C=CC(N)=C1 AT11207 [0,2,0,0,0,0|2,0,0]=4 620 B12R1.127 CN(C)CC1=C(F)C=CC(Br)=C1 N10241 [0,2,0,0,0,0|2,0,0]=4 621 B12R1.127 C[C@H](N)CC1=C(F)C=CC(F)=C1 N11067 [0,2,0,0,0,0|0,0,0]=2 622 B12R1.127 NC(=O)CC1=C(Br)C=CC(Cl)=C1 AT11065 [0,2,0,0,0,0|1,0,1]=4 623 B12R1.127 NC(=O)CC1=C(F)C=CC(Br)=C1 92705 [0,2,0,0,0,0|1,0,1]=4 624 B12R1.151 CC(C)(O)CC1=C(Br)C=NC=C1 AT12939 [0,2,0,0,0,0|2,0,0]=4 625 B12R1.151 C[S@](=N)(=O)CC1=C(F)C=CC=C1 E71970 [0,2,0,0,0,0|1,0,1]=4 626 B12R1.151 NS(=O)(=O)CC1=C(F)C=CC=C1 C90226 [0,2,0,0,0,0|2,0,0]=4 627 B12R1.224 CC(C)OC1=C(F)C(O)=CC=C1 AT21292 [0,2,0,0,0,0|2,0,0]=4 628 B12R1.224 CC1=C(Br)C=CC=C1NC(C)C 96869 [0,2,0,0,0,0|2,0,0]=4 629 B12R1.224 C[C@H](N)CC1=CC=CC(Cl)=C1Cl N11069 [0,2,0,0,0,0|0,0,0]=2 630 B12R1.224 NC(=O)CC1=CC=CC(Br)=C1F 92646 [0,2,0,0,0,0|1,0,1]=4 631 B12R1.1009 CC(=O)CC1=C(Cl)C=CC=C1Cl T71476 [0,2,0,0,0,0|1,0,1]=4 632 B12R1.1009 C[C@H](N)CC1=C(Cl)C=CC=C1Cl N11065 [0,2,0,0,0,0|0,0,0]=2 633 B12R1.101 CC(=O)CC1=CC(F)=CC(F)=C1 N14189 [0,2,0,0,0,0|1,0,1]=4 634 B12R1.101 CC1=CC(Br)=CC(CN(C)C)=C1 N11538 [0,2,0,0,0,0|2,0,0]=4 635 B12R1.119 CC(C)(O)CC1=CC=CC(Br)=C1 AT24484 [0,2,0,0,0,0|1,0,0]=3 636 B12R1.119 C[S@](=N)(=O)CC1=CC(F)=CC=C1 E71969 [0,2,0,0,0,0|1,0,1]=4 637 B12R1.119 C[S@](=N)(=O)CC1=CC=CC(Br)=C1 E72409 [0,2,0,0,0,0|1,0,1]=4 638 B12R1.438 COC1=CC(CC(=N)N)=CC=C1 F13308 [0,2,0,0,0,0|1,0,1]=4 639 B12R1.438 COC1=CC(C[C@H](C)N)=CC=C1 N10869 [0,2,0,0,0,0|0,0,0]=2 640 B10R2.6 C1=CC(C2CC2)=CC=N1 59829 [1,0,0,1,0,0|1,0,0]=3 641 B10R2.6 C1=CN=C(C2CC2)N=C1 P12514 [1,0,0,1,0,0|2,0,0]=4 642 B10R2.7 C1=CC2=C(C=C1)SCO2 76474 [1,0,0,1,0,0|2,0,0]=4 643 B10R2.7 C1=CC2=C(C=C1)SCS2 D71935 [1,0,0,1,0,0|2,0,0]=4 644 B10R2.7 C1=CN=C2NCCC2=C1 C13729 [1,0,0,1,0,0|1,0,0]=3 645 B10R2.7 C1=CN=C2NCCC2=N1 P20982 [1,0,0,1,0,0|2,0,0]=4 646 B10R2.7 C1=NC=C2CCNC2=N1 93647 [1,0,0,1,0,0|2,0,0]=4 647 B10R2.7 C1=NC=C2CCNC2=N1 C90715 [1,0,0,1,0,0|2,0,0]=4 648 B10R2.320 N[C@H]1CC2=C1C=CC=C2 AT20398 [1,0,0,1,0,0|0,0,0]=2 649 B10R2.5 N[C@H]1C[C@@H]1C2=CSC=C2 AT16875 [0,0,0,1,1,0|1,0,0]=3 650 B12R2.22 BrC1CC(C2=CC=CC=C2)C1 AT17150 [0,0,0,1,0,1|1,0,0]=3 651 B12R2.22 NC1CC(C2=CC=CN=C2)C1 F53675 [0,0,0,1,0,1|1,0,0]=3 652 B12R2.22 NC1CN(C2=CC=CC=C2)C1 P20296 [0,0,0,1,0,1|0,0,0]=2 653 B12R2.22 NC1CN(C2=CN=CN=C2)C1 P17711 [0,0,0,1,0,1|2,0,0]=4 654 B12R2.22 NC1CN(C2=CN=CN=C2)C1 P20462 [0,0,0,1,0,1|2,0,0]=4 655 B12R2.22 NC1CN(C2=NC=NC=C2)C1 P18626 [0,0,0,1,0,1|2,0,0]=4 656 B12R2.22 O=C1C[C@@H](C2=CC=CC=C2)N1 76187 [0,0,0,1,0,1|1,0,1]=4 657 B12R2.22 OC1CC(C2=CC=CC=C2)C1 91859 [0,0,0,1,0,1|1,0,0]=3 658 B12R2.24 Br[C@H]1CCC2=C(C=CC=C2)C1 F13406 [0,0,0,1,0,1|1,0,0]=3 659 B12R2.24 CC1=CC2=C(C=CC=C2)CN1 F12577 [0,0,0,1,0,1|1,0,1]=4 660 B12R2.24 C[C@@H]1CNC2=C(C=CC=C2)C1 F50994 [0,0,0,1,0,1|1,0,0]=3 661 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 12711 [0,0,0,1,0,1|1,0,0]=3 662 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 C74526 [0,0,0,1,0,1|1,0,0]=3 663 B12R2.24 C[C@H]1CNC2=C(C=CN=C2)O1 AT21909 [0,0,0,1,0,1|2,0,0]=4 664 B12R2.24 C[C@H]1CSC2=C(C=CC=C2)N1 W10084 [0,0,0,1,0,1|0,0,0]=2 665 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 F20762 [0,0,0,1,0,1|0,0,0]=2 666 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 F13193 [0,0,0,1,0,1|0,0,0]=2 667 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 F18883 [0,0,0,1,0,1|0,0,0]=2 668 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 F18889 [0,0,0,1,0,1|0,0,0]=2 669 B12R2.24 O=C1COC2=C(C=CC=C2)C1 F53084 [0,0,0,1,0,1|1,0,1]=4 670 B12R2.24 O=C1NC2=C(C=CC=C2)CO1 AC3815 [0,0,0,1,0,1|1,0,1]=4 671 B12R2.24 O[C@H]1CCC2=C(C=CC=N2)C1 D78688 [0,0,0,1,0,1|2,0,0]=4 672 B12R2.2057 C1=CC(CNC2CC2)=CC=N1 AC5083 [0,0,0,1,0,1|2,0,0]=4 673 B12R2.2403 CC1(C)CNC2=CC=CN=C21 85485 [0,0,0,1,0,1|2,0,0]=4 674 B12R2.79 NC1CC1C2=CC=C(F)C=C2 96610 [0,1,0,1,0,0|0,0,0]=2 675 B12R2.79 NC1CC1C2=CC=C(O)C=C2 AT19453 [0,1,0,1,0,0|0,0,0]=2 676 B12R2.79 NC1CC1C2=CC=C(O)C=C2 D88027 [0,1,0,1,0,0|0,0,0]=2 677 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 96593 [0,1,0,1,0,0|0,0,0]=2 678 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 E72639 [0,1,0,1,0,0|0,0,0]=2 679 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 FD10509 [0,1,0,1,0,0|0,0,0]=2 680 B12R2.294 BrC1=CC=C(NC2CC2)C=C1 AT13548 [0,1,0,1,0,0|2,0,0]=4 681 B12R2.294 BrC1=CC=C(SC2CC2)C=C1 AT24051 [0,1,0,1,0,0|2,0,0]=4 682 B12R2.294 FC1=CC=C(OC2CC2)C=C1 AT21306 [0,1,0,1,0,0|2,0,0]=4 683 B12R2.294 NC1=CC=C(OC2CC2)C=C1 AT11984 [0,1,0,1,0,0|2,0,0]=4 684 B12R2.606 NC1=CC2=C(C=C1)C[C@H](O)C2 94670 [0,1,0,1,0,0|1,0,0]=3 685 B12R2.606 N[C@H]1CC2=C(C=C(Cl)C=C2)C1 C16302 [0,1,0,1,0,0|0,0,0]=2 686 B12R2.606 N[C@H]1CC2=C(C=C(F)C=C2)C1 Y10225 [0,1,0,1,0,0|0,0,0]=2 687 B12R2.606 N[C@H]1CC2=C(C=C(I)C=C2)C1 25202 [0,1,0,1,0,0|0,0,0]=2 688 B12R2.606 N[C@H]1CC2=C(C=C(I)C=C2)C1 36607 [0,1,0,1,0,0|0,0,0]=2 689 B12R2.606 OC1=CC2=C(C=C1)C[C@H](O)C2 F53501 [0,1,0,1,0,0|1,0,0]=3 690 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 64263 [0,1,0,1,0,0|0,0,2]=4 691 B12R2.18 N[C@H]1CC2=C(C=CC=C2)C1=O 66097 [0,1,0,1,0,0|0,0,1]=3 692 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 F13978 [0,1,0,1,0,0|1,0,0]=3 693 B12R2.2075 N[C@H](C1=CC=NC=C1)C2CC2 S11230 [0,1,0,1,0,0|2,0,0]=4 694 B12R2.2075 N[C@H](C1=NC=CC=C1)C2CC2 E70146 [0,1,0,1,0,0|2,0,0]=4 695 B12R2.2075 O[C@H](C1=CC=NC=C1)C2CC2 AC5878 [0,1,0,1,0,0|2,0,0]=4 696 B12R2.27 BrC[C@@H]1C[C@@H]1C2=CC=CC=C2 55233 [0,1,0,1,0,0|1,0,0]=3 697 B12R2.27 BrC[C@H]1C[C@@H]1C2=CC=CC=C2 55239 [0,1,0,1,0,0|1,0,0]=3 698 B12R2.27 O=CC1CC1C2=CC=CC=C2 F52095 [0,1,0,1,0,0|1,0,0]=3 699 B12R2.27 OCC1CC1C2=NC=CC=C2 91729 [0,1,0,1,0,0|2,0,0]=4 700 B12R2.27 OC[C@H]1C[C@@H]1C2=NC=CC=C2 91718 [0,1,0,1,0,0|2,0,0]=4 701 B12R2.32 CNC1CC2=C(C=CC=C2)C1 D86972 [0,1,0,1,0,0|0,0,0]=2 702 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 AC1020 [0,1,0,1,0,0|1,0,1]=4 703 B12R2.94 NC1(CC2=CC=CC=C2)CC1 D74695 [0,1,0,1,0,0|0,0,0]=2 704 B12R2.2058 C1=CC(OC2CNC2)=CC=N1 88528 [0,1,0,1,0,0|2,0,0]=4 705 B12R2.2058 C1=CN=C(OC2CNC2)C=C1 88530 [0,1,0,1,0,0|2,0,0]=4 706 B12R2.202 CC1=CC2=C(C=CC=C2C)N1 C14038 [0,1,0,1,0,0|0,0,2]=4 707 B12R2.202 CC1=CC2=C(Cl)C=CC=C2N1 24210 [0,1,0,1,0,0|0,0,2]=4 708 B12R2.202 CC1=CC2=CC=CC(Br)=C2N1 AT16060 [0,1,0,1,0,0|0,0,2]=4 709 B12R2.202 CC1=CC2=CC=CC(N)=C2N1 P20352 [0,1,0,1,0,0|0,0,2]=4 710 B12R2.202 NC1=CC=CC2=C1CC(=O)C2 53595 [0,1,0,1,0,0|1,0,1]=4 711 B12R2.202 O=C1CC2=CC=CC(I)=C2N1 D76870 [0,1,0,1,0,0|1,0,1]=4 712 B12R2.225 BrC1=C(NC2CC2)C=CC=C1 AT17125 [0,1,0,1,0,0|2,0,0]=4 713 B12R2.225 BrC1=C(SC2CC2)C=CC=C1 AT20841 [0,1,0,1,0,0|2,0,0]=4 714 B12R2.225 FC1=C(OC2CC2)C=CC=C1 AT21296 [0,1,0,1,0,0|2,0,0]=4 715 B12R2.225 IC1=C(OC2CC2)C=CC=C1 F53780 [0,1,0,1,0,0|2,0,0]=4 716 B12R2.80 NC1CC1C2=CC=CC(Cl)=C2 D86978 [0,1,0,1,0,0|0,0,0]=2 717 B12R2.80 N[C@H]1C[C@@H]1C2=CC=CC(Cl)=C2 AC1027 [0,1,0,1,0,0|0,0,0]=2 718 B12R2.80 N[C@H]1C[C@@H]1C2=CC=CC(F)=C2 E72638 [0,1,0,1,0,0|0,0,0]=2 719 B12R3.12 C1=CC2=C(C=C1)C3OC3C2 F51253 [0,0,0,2,0,0|1,0,0]=3 720 B8R1.8 BrCCC1=CC=CS1 F20027 [1,0,0,0,1,0|2,0,0]=4 721 B8R1.8 CNCC1=CSC=C1 AT16803 [1,0,0,0,1,0|2,0,0]=4 722 B8R1.8 NCCC1=CN=CN1 S10979 [1,0,0,0,1,0|2,0,0]=4 723 B8R1.8 NCCC1=CNN=C1 AC1363 [1,0,0,0,1,0|2,0,0]=4 724 B8R1.8 NCCC1=CNN=C1 D85886 [1,0,0,0,1,0|2,0,0]=4 725 B8R1.8 NCCC1=COC=N1 AT18667 [1,0,0,0,1,0|2,0,0]=4 726 B8R1.8 NCCC1=NC=CS1 F51904 [1,0,0,0,1,0|2,0,0]=4 727 B8R1.8 NCCC1=NNC=C1 AC2815 [1,0,0,0,1,0|2,0,0]=4 728 B8R1.8 NCCN1C=CC=N1 AT10968 [1,0,0,0,1,0|2,0,0]=4 729 B8R1.8 NNCC1=CC=CS1 P10519 [1,0,0,0,1,0|2,0,0]=4 730 B8R1.8 NNCC1=CSC=C1 P10771 [1,0,0,0,1,0|2,0,0]=4 731 B8R1.7 C[C@H](N)C1=CC=CO1 74860 [0,0,0,0,2,0|1,0,0]=3 732 B8R1.7 C[C@H](N)C1=CC=CO1 F16901 [0,0,0,0,2,0|1,0,0]=3 733 B8R1.7 C[C@H](N)C1=CC=CO1 N12744 [0,0,0,0,2,0|1,0,0]=3 734 B8R1.7 C[C@H](N)C1=CN=CN1 D71963 [0,0,0,0,2,0|2,0,0]=4 735 B8R1.7 C[C@H](N)C1=CN=CS1 AT14771 [0,0,0,0,2,0|2,0,0]=4 736 B8R1.7 C[C@H](N)C1=CN=CS1 AT14772 [0,0,0,0,2,0|2,0,0]=4 737 B8R1.7 C[C@H](N)C1=COC=C1 AT17538 [0,0,0,0,2,0|1,0,0]=3 738 B8R1.7 C[C@H](N)C1=COC=C1 N16718 [0,0,0,0,2,0|1,0,0]=3 739 B8R1.7 C[C@H](N)C1=CSC=C1 27875 [0,0,0,0,2,0|1,0,0]=3 740 B8R1.7 C[C@H](N)C1=CSC=N1 AT12534 [0,0,0,0,2,0|2,0,0]=4 741 B8R1.7 C[C@H](N)C1=CSC=N1 N14692 [0,0,0,0,2,0|2,0,0]=4 742 B8R1.7 C[C@H](N)C1=CSC=N1 N14693 [0,0,0,0,2,0|2,0,0]=4 743 B8R1.7 C[C@H](N)C1=NC=CN1 AT15627 [0,0,0,0,2,0|2,0,0]=4 744 B8R1.7 C[C@H](N)C1=NC=CN1 AT15630 [0,0,0,0,2,0|2,0,0]=4 745 B8R1.7 C[C@H](N)C1=NC=CN1 W10071 [0,0,0,0,2,0|2,0,0]=4 746 B8R1.7 C[C@H](N)C1=NC=CS1 AT14699 [0,0,0,0,2,0|2,0,0]=4 747 B8R1.7 C[C@H](N)C1=NNC=C1 32104 [0,0,0,0,2,0|2,0,0]=4 748 B8R1.7 C[C@H](O)C1=CC=CS1 71923 [0,0,0,0,2,0|2,0,0]=4 749 B8R1.7 C[C@H](O)C1=CC=CS1 AT16382 [0,0,0,0,2,0|2,0,0]=4 750 B8R1.7 C[C@H](O)C1=CC=CS1 AT16384 [0,0,0,0,2,0|2,0,0]=4 751 B8R1.7 C[C@H](O)C1=COC=C1 AT17475 [0,0,0,0,2,0|2,0,0]=4 752 B8R1.7 C[C@H](O)C1=COC=C1 AT17477 [0,0,0,0,2,0|2,0,0]=4 753 B12R1.252 CN(C)\C=N\CC1=CC=CC=C1 F53333 [0,0,0,0,0,2|2,0,0]=4 754 B12R1.252 C[C@H](Br)COCC1=CC=CC=C1 C92726 [0,0,0,0,0,2|1,0,0]=3 755 B12R1.252 C[C@H](Br)COCC1=CC=CC=C1 C92727 [0,0,0,0,0,2|1,0,0]=3 756 B12R1.252 C[C@H](O)CCCC1=CN=CC=C1 F53169 [0,0,0,0,0,2|2,0,0]=4 757 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 AC4615 [0,0,0,0,0,2|1,0,0]=3 758 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 AT23036 [0,0,0,0,0,2|1,0,0]=3 759 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 D71911 [0,0,0,0,0,2|1,0,0]=3 760 B12R1.252 NC(=O)CNCC1=CC=CC=C1 F52328 [0,0,0,0,0,2|1,0,1]=4