0 B10R1.17 C=C\C=C\C1=CC=CC=C1 54349 [0,0,0,0,0,0|1,0,3]=4 1 B10R1.17 CCCCC1=CC=NC=C1 BL000376 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.17 CCCOC1=CC=CC=C1 C75927 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.17 CCNCC1=CC=CC=C1 D77748 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.17 CNCCC1=CC=CN=C1 AR1271 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.17 CNNCC1=CC=CC=C1 30192 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.17 CNNCC1=CC=CN=C1 30189 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.17 N#CCCC1=CC=NC=C1 P16939 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.17 NCC#CC1=CC=CC=C1 AB10164 [0,0,0,0,0,0|2,0,2]=4 10 B10R1.17 NCCCC1=CC=CN=C1 31799 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.17 NCCCC1=CC=NC=C1 S12068 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.17 NCCOC1=CC=NC=C1 F31099 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.17 NCCOC1=CC=NC=C1 Y10522 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.17 OCCOC1=CN=CC=C1 D86242 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.17 SCCCC1=CC=NC=C1 F18251 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 50056 [0,0,0,0,0,0|0,0,2]=2 17 B9R1.8 BrC#CC1=CC=CC=C1 A51120 [1,0,0,0,0,0|1,0,2]=4 18 B9R1.8 BrCCC1=CC=NC=C1 C71689 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.8 CCNC1=CC=CN=C1 C15578 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.8 CNCC1=CC=NC=C1 AR1712 [1,0,0,0,0,0|1,0,0]=2 21 B9R1.8 CNCC1=CN=NC=C1 P16258 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.8 CNCC1=NC=CC=N1 W11490 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.8 ClCCC1=CC=NC=C1 O11064 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.8 NCCC1=NC=CC=N1 P15951 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.8 NCCC1=NC=CN=C1 AR1061 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.8 NCCC1=NC=NC=C1 P18517 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.8 NNCC1=CC=CN=C1 78930 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.8 NNCC1=CC=NC=C1 37009 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.8 NNCC1=CC=NC=C1 BL009189 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.8 NNCC1=CN=CN=C1 37093 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.8 NNCC1=NC=CC=C1 78929 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.8 NNCC1=NC=CN=C1 37235 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.8 NOCC1=CN=CC=C1 AC6038 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.8 N\N=C\C1=CC=CC=C1 D81797 [1,0,0,0,0,0|1,0,1]=3 35 B9R1.8 OCCC1=CN=CN=C1 27368 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.8 OCCC1=NC=CC=N1 C14218 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.8 O\N=C/C1=CC=CC=C1 N10040 [1,0,0,0,0,0|1,0,2]=4 38 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 C11398 [1,0,0,0,0,0|0,0,2]=3 39 B11R1.1 C#CCOC1=CC=C(Cl)C=C1 W16039 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.1 C=CCCC1=CC=C(Br)C=C1 VT1222 [0,1,0,0,0,0|1,0,1]=3 41 B11R1.1 C=CCCC1=CC=C(O)C=C1 AC1840 [0,1,0,0,0,0|1,0,1]=3 42 B11R1.1 CC1=NC=C(CCCN)C=C1 73040 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.1 CCNCC1=CC=C(C)C=C1 78307 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.1 CCNCC1=CC=C(N)C=C1 AC1810 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.1 CCNCC1=CC=C(O)C=C1 31967 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.1 CCNCC1=CN=C(Cl)C=C1 F11983 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.1 CCOCC1=CC=C(Br)C=C1 W19177 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.1 CCOCC1=CC=C(O)C=C1 27758 [0,1,0,0,0,0|2,0,0]=3 49 B11R1.1 CCOCC1=CN=C(Cl)C=C1 D73333 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.1 CNCCC1=CC=C(N)C=C1 76010 [0,1,0,0,0,0|0,0,0]=1 51 B11R1.1 ClCCOC1=CC=C(Cl)C=C1 C72197 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.1 FC1=CC=C(CCCBr)C=C1 AB8466 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.1 FC1=CC=C(CCCI)C=C1 AC3098 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.1 N#CCCC1=CC=C(Br)C=C1 O10869 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.1 NCCCC1=CC=C(F)C=C1 C72058 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.1 O=CCCC1=CC=C(Br)C=C1 29444 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.1 O=CCCC1=CC=C(Cl)C=C1 AB6893 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.1 O=CCCC1=CC=C(O)C=C1 F19751 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.1 OCCOC1=CC=C(Br)C=C1 AC1411 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 I11297 [0,1,0,0,0,0|1,0,1]=3 61 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y10366 [0,1,0,0,0,0|1,0,1]=3 62 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y12585 [0,1,0,0,0,0|1,0,1]=3 63 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y13293 [0,1,0,0,0,0|1,0,1]=3 64 B11R1.16 CCCC(=O)C1=CN=CC=C1 N12405 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.16 CCCC(=O)C1=NC=CC=C1 55420 [0,1,0,0,0,0|2,0,1]=4 66 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y10270 [0,1,0,0,0,0|1,0,0]=2 67 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11637 [0,1,0,0,0,0|1,0,0]=2 68 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11944 [0,1,0,0,0,0|1,0,0]=2 69 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 31766 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 Y11462 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.16 COC[C@H](N)C1=CC=CC=C1 N12553 [0,1,0,0,0,0|1,0,0]=2 72 B11R1.16 CONC(=O)C1=CC=CC=C1 W17974 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.16 C[C@@H](CCN)C1=CC=CC=C1 AC6042 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.16 C[C@H](N=C=O)C1=CC=CC=C1 D87824 [0,1,0,0,0,0|3,0,0]=4 75 B11R1.16 N#CC[C@H](O)C1=CC=CC=C1 AB1470 [0,1,0,0,0,0|2,0,0]=3 76 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 65208 [0,1,0,0,0,0|2,0,0]=3 77 B11R1.16 O=C(CCO)C1=CC=CC=C1 A11168 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.16 OCC[C@H](O)C1=CC=NC=C1 AC6619 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.16 OCC[C@H](O)C1=NC=CC=C1 C74027 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.17 C#CCOC1=C(O)C=CC=C1 W16056 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.17 C=CCCC1=C(Br)C=CC=C1 20639 [0,1,0,0,0,0|1,0,1]=3 82 B11R1.17 C=CCOC1=C(O)C=CC=C1 H11445 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.17 CC1=C(NCCO)C=CC=C1 29426 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.17 CC1=C(OCCBr)C=CC=C1 71086 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.17 CCNCC1=C(O)C=CC=C1 AC1355 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.17 COCCC1=C(O)C=CC=C1 D94967 [0,1,0,0,0,0|1,0,0]=2 87 B11R1.17 COCOC1=C(I)C=CN=C1 W18233 [0,1,0,0,0,0|3,0,0]=4 88 B11R1.17 FC1=C(CCCBr)C=CC=C1 AB10312 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.17 FC1=C(OCCBr)C=CC=C1 F50418 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.17 NC1=C(CCCO)C=CC=C1 Y12219 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.17 NCCCC1=C(Br)C=CC=C1 AC1659 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.17 NCCCN1C=CC=CC1=O F15206 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 20776 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.17 OCCCC1=C(Cl)C=CC=C1 AB3571 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.17 OCCCC1=C(F)C=CC=C1 AB3823 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.24 CC1=CC=CC(OCCBr)=C1 D86494 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.24 CC1=CC=CC(OCCN)=C1 30931 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.24 CCCCC1=CC=CC(F)=C1 36944 [0,1,0,0,0,0|1,0,0]=2 99 B11R1.24 CCCCC1=CC=CC(N)=N1 78400 [0,1,0,0,0,0|2,0,0]=3 100 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 T70177 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.24 CCNCC1=CC=CC(O)=C1 31617 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.24 FC1=CC=CC(OCCBr)=C1 71908 [0,1,0,0,0,0|3,0,0]=4 103 B11R1.24 NCCCC1=CC=CC(Cl)=C1 F20098 [0,1,0,0,0,0|2,0,0]=3 104 B11R1.24 O=CCCC1=CC=CC(Br)=C1 A10169 [0,1,0,0,0,0|2,0,0]=3 105 B11R1.24 OCCCC1=CC=CC(Cl)=C1 AB3572 [0,1,0,0,0,0|2,0,0]=3 106 B11R1.24 OCCCC1=CC=CC(F)=C1 AB3824 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.28 BrCCSCC1=CC=CC=C1 D80856 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.28 C#CCNCC1=CC=CC=C1 W16389 [0,1,0,0,0,0|1,0,1]=3 109 B11R1.28 C#CCNCC1=CC=CN=C1 W16054 [0,1,0,0,0,0|2,0,1]=4 110 B11R1.28 CC#CCOC1=CC=CC=C1 W17093 [0,1,0,0,0,0|1,0,1]=3 111 B11R1.28 CCCCCC1=CC=CN=C1 O11045 [0,1,0,0,0,0|2,0,0]=3 112 B11R1.28 CCCCCC1=CC=NC=C1 T70725 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.28 CCCCCC1=NC=CC=C1 D70816 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.28 CNCCCC1=CC=CC=C1 AR3929 [0,1,0,0,0,0|0,0,0]=1 115 B11R1.28 ICCOCC1=CC=CC=C1 70075 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.28 N#CCNCC1=CC=CC=C1 80731 [0,1,0,0,0,0|2,0,0]=3 117 B11R1.28 NCCCOC1=CC=CC=C1 76995 [0,1,0,0,0,0|2,0,0]=3 118 B11R1.28 NCCCOC1=CC=CC=C1 AB7704 [0,1,0,0,0,0|2,0,0]=3 119 B11R1.28 O=CCCCC1=CN=CC=C1 P16929 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.28 OCCCCC1=NC=CC=C1 30660 [0,1,0,0,0,0|2,0,0]=3 121 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 C75175 [0,1,0,0,0,0|1,0,1]=3 122 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y10008 [0,1,0,0,0,0|1,0,1]=3 123 B11R1.40 CNC(=O)CC1=CN=CC=C1 C71252 [0,1,0,0,0,0|1,0,1]=3 124 B11R1.40 CNC(=O)OC1=CC=CC=C1 C10489 [0,1,0,0,0,0|1,0,1]=3 125 B11R1.40 COC(=O)CC1=CN=CC=C1 31754 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.40 C[C@@H](C#N)NC1=CC=CC=C1 81451 [0,1,0,0,0,0|3,0,0]=4 127 B11R1.40 C[C@@H](CN)OC1=CC=CC=C1 AR3791 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.40 NCC(=O)CC1=CC=CC=C1 A10565 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.40 NNC(=O)CC1=CC=NC=C1 25064 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.40 NNC(=O)OC1=CC=CC=C1 Y11606 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.40 N[C@H](CO)CC1=NC=CC=C1 Y13025 [0,1,0,0,0,0|3,0,0]=4 132 B11R1.40 N\C(CC1=CC=CC=C1)=N/O W18702 [0,1,0,0,0,0|1,0,2]=4 133 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Y10931 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 D80460 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.91 CC(=O)C#CC1=CC=CC=C1 F21355 [0,1,0,0,0,0|1,0,2]=4 136 B11R1.91 CC(C)CCC1=NC=CN=C1 A12502 [0,1,0,0,0,0|3,0,0]=4 137 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Y11691 [0,1,0,0,0,0|1,0,0]=2 138 B11R1.91 NC(=O)CCC1=CC=NC=C1 AC6902 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.91 NC(=O)CCC1=CN=CC=C1 AC6901 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.91 NC(=O)COC1=CC=CC=C1 N16863 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.91 O=C([O-])CCC1=CC=CC=C1 A11567 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 35117 [0,1,0,0,0,0|1,0,1]=3 143 B11R2.1 C=C1CCC2=C1C=CC=C2 AC3155 [0,0,0,1,0,0|1,0,1]=3 144 B11R2.1 CC1=CCC2=C1C=CC=C2 C76459 [0,0,0,1,0,0|1,0,1]=3 145 B11R2.1 CN1C=CC2=C1C=NC=C2 P18393 [0,0,0,1,0,0|1,0,2]=4 146 B11R2.1 CN1C=CC2=CC=CN=C21 24845 [0,0,0,1,0,0|1,0,2]=4 147 B11R2.1 CN1C=NC2=C1C=CN=C2 D95006 [0,0,0,1,0,0|2,0,1]=4 148 B11R2.1 CN1C=NC2=NC=CC=C21 27557 [0,0,0,1,0,0|2,0,1]=4 149 B11R2.1 CN1CCC2=C1C=CC=C2 D83554 [0,0,0,1,0,0|0,0,0]=1 150 B11R2.1 CN1N=CC2=C1C=CC=C2 P10138 [0,0,0,1,0,0|1,0,1]=3 151 B11R2.1 CN1N=CC2=CC=CN=C21 Y13575 [0,0,0,1,0,0|2,0,1]=4 152 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E72710 [0,0,0,1,0,0|2,0,0]=3 153 B11R2.1 C[C@H]1CNC2=C1C=CC=C2 I11746 [0,0,0,1,0,0|2,0,0]=3 154 B11R2.1 NC1=NCC2=C1C=CC=C2 32182 [0,0,0,1,0,0|3,0,0]=4 155 B11R2.1 NN1CCC2=C1C=CC=C2 C90200 [0,0,0,1,0,0|1,0,0]=2 156 B11R2.1 NN1N=CC2=C1C=CC=C2 S11721 [0,0,0,1,0,0|2,0,1]=4 157 B11R2.1 N[C@H]1CCC2=CC=CN=C21 H10539 [0,0,0,1,0,0|3,0,0]=4 158 B11R2.1 N[C@H]1CCC2=NC=CC=C21 87179 [0,0,0,1,0,0|3,0,0]=4 159 B11R2.1 N[C@H]1CCC2=NC=CC=C21 D79495 [0,0,0,1,0,0|3,0,0]=4 160 B11R2.1 O=C1CCC2=C1C=CN=C2 67473 [0,0,0,1,0,0|3,0,0]=4 161 B11R2.1 O=C1CCC2=C1C=NC=C2 P10633 [0,0,0,1,0,0|3,0,0]=4 162 B11R2.1 O=C1CSC2=C1C=CC=C2 26760 [0,0,0,1,0,0|3,0,0]=4 163 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D70931 [0,0,0,1,0,0|2,0,0]=3 164 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 87180 [0,0,0,1,0,0|3,0,0]=4 165 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 D79493 [0,0,0,1,0,0|3,0,0]=4 166 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 D79494 [0,0,0,1,0,0|3,0,0]=4 167 B11R2.1 O[C@H]1CCC2=CC=CN=C21 D86160 [0,0,0,1,0,0|3,0,0]=4 168 B11R2.1 O[C@H]1CCC2=CC=CN=C21 E72697 [0,0,0,1,0,0|3,0,0]=4 169 B11R2.4 NC1CC1C2=CC=CC=C2 P17182 [0,0,0,1,0,0|2,0,0]=3 170 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C15693 [0,0,0,1,0,0|2,0,0]=3 171 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C15694 [0,0,0,1,0,0|2,0,0]=3 172 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 D94291 [0,0,0,1,0,0|2,0,0]=3 173 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P16183 [0,0,0,1,0,0|2,0,0]=3 174 B11R2.4 OC1CC1C2=CC=CC=C2 F50832 [0,0,0,1,0,0|2,0,0]=3 175 B11R2.20 C1=CC2=C(C=C1)CCN=C2 F12436 [0,0,0,1,0,0|0,0,2]=3 176 B11R2.20 C1=CC2=C(C=C1)OCC=C2 N13096 [0,0,0,1,0,0|2,0,1]=4 177 B11R2.20 C1=CC2=C(C=N1)CCNC2 27429 [0,0,0,1,0,0|1,0,0]=2 178 B11R2.20 C1=CC2=C(C=N1)CCNC2 F52150 [0,0,0,1,0,0|1,0,0]=2 179 B11R2.20 C1=CC2=C(C=N1)CNCC2 67415 [0,0,0,1,0,0|1,0,0]=2 180 B11R2.20 C1=CN=C2CCCNC2=C1 30555 [0,0,0,1,0,0|3,0,0]=4 181 B11R2.20 C1=CN=C2CNCCC2=C1 67455 [0,0,0,1,0,0|1,0,0]=2 182 B11R2.20 C1=CN=C2OCCCC2=C1 AT22008 [0,0,0,1,0,0|3,0,0]=4 183 B11R2.20 C1=NC=C2CCCCC2=N1 F16382 [0,0,0,1,0,0|3,0,0]=4 184 B11R2.20 C1=NC=C2CCNCC2=N1 P13445 [0,0,0,1,0,0|2,0,0]=3 185 B11R2.20 C1=NC=C2CNCCC2=N1 24629 [0,0,0,1,0,0|2,0,0]=3 186 B11R2.20 C1=NC=C2CNCCC2=N1 35879 [0,0,0,1,0,0|2,0,0]=3 187 B11R2.20 C1=NC=C2CNCCC2=N1 SC2801 [0,0,0,1,0,0|2,0,0]=3 188 B11R2.239 C1=CC(C2CNC2)=CC=N1 84193 [0,0,0,1,0,0|1,0,0]=2 189 B11R2.239 C1=CC(C2CNC2)=NC=N1 59757 [0,0,0,1,0,0|2,0,0]=3 190 B11R2.239 C1=CC=C(C2CNC2)C=C1 84171 [0,0,0,1,0,0|0,0,0]=1 191 B11R2.239 C1=CC=C(C2COC2)C=C1 F51875 [0,0,0,1,0,0|1,0,0]=2 192 B11R2.239 C1=CC=C([C@@H]2CCN2)C=C1 C90175 [0,0,0,1,0,0|2,0,0]=3 193 B11R2.239 C1=CN=C(C2CNC2)C=C1 85626 [0,0,0,1,0,0|1,0,0]=2 194 B11R2.239 C1=CN=C(C2CNC2)N=C1 89301 [0,0,0,1,0,0|2,0,0]=3 195 B11R2.239 C1=CN=CC(C2CNC2)=C1 84095 [0,0,0,1,0,0|1,0,0]=2 196 B11R2.239 C1=NC=C(C2CNC2)C=N1 85627 [0,0,0,1,0,0|2,0,0]=3 197 B9R1.12 CCNCC1=CC=CO1 C77903 [0,0,0,0,1,0|3,0,0]=4 198 B9R1.12 COCCN1C=CC=C1 W16108 [0,0,0,0,1,0|2,0,0]=3 199 B9R1.12 OCCCC1=CSC=C1 32572 [0,0,0,0,1,0|3,0,0]=4 200 B8R1.2 CCC1=NC=NC=C1 F17281 [2,0,0,0,0,0|2,0,0]=4 201 B8R1.2 CNC1=CN=CN=C1 Y10181 [2,0,0,0,0,0|2,0,0]=4 202 B8R1.2 CNC1=CN=NC=C1 A10648 [2,0,0,0,0,0|2,0,0]=4 203 B8R1.2 CNC1=NC=NC=C1 W10133 [2,0,0,0,0,0|2,0,0]=4 204 B8R1.2 NCC1=CC=CC=C1 RB3068 [2,0,0,0,0,0|0,0,0]=2 205 B8R1.2 NCC1=CC=CN=N1 36976 [2,0,0,0,0,0|2,0,0]=4 206 B8R1.2 NCC1=CC=CN=N1 AT13034 [2,0,0,0,0,0|2,0,0]=4 207 B8R1.2 NCC1=CC=CN=N1 P15536 [2,0,0,0,0,0|2,0,0]=4 208 B8R1.2 NCC1=CC=NC=C1 35876 [2,0,0,0,0,0|1,0,0]=3 209 B8R1.2 NCC1=CN=CN=C1 26963 [2,0,0,0,0,0|2,0,0]=4 210 B8R1.2 NCC1=CN=NC=C1 27223 [2,0,0,0,0,0|2,0,0]=4 211 B8R1.2 NCC1=CN=NC=C1 36975 [2,0,0,0,0,0|2,0,0]=4 212 B8R1.2 NCC1=NC=CN=C1 67569 [2,0,0,0,0,0|2,0,0]=4 213 B8R1.2 NNC1=CC=CN=C1 S12141 [2,0,0,0,0,0|2,0,0]=4 214 B8R1.2 SCC1=CC=NC=C1 F18336 [2,0,0,0,0,0|2,0,0]=4 215 B8R1.2 SCC1=CN=CC=C1 F18343 [2,0,0,0,0,0|2,0,0]=4 216 B8R1.2 SCC1=NC=CC=C1 Y10072 [2,0,0,0,0,0|2,0,0]=4 217 B8R1.2 [C-]#[N+]C1=CC=CC=C1 AB1473 [2,0,0,0,0,0|0,0,2]=4 218 B10R1.1 C=CCC1=CC=C(O)C=C1 AC1877 [1,1,0,0,0,0|0,0,2]=4 219 B10R1.1 CC1=CC=C(CNN)C=C1 O10109 [1,1,0,0,0,0|1,0,0]=3 220 B10R1.1 CC1=CN=C(CCN)N=C1 73044 [1,1,0,0,0,0|2,0,0]=4 221 B10R1.1 CC1=NC=C(CCO)C=C1 54746 [1,1,0,0,0,0|2,0,0]=4 222 B10R1.1 CCNC1=CC=C(F)C=C1 AB11321 [1,1,0,0,0,0|1,0,0]=3 223 B10R1.1 CCOC1=NC=C(Cl)C=C1 F52729 [1,1,0,0,0,0|2,0,0]=4 224 B10R1.1 CCSC1=CC=C(C)C=C1 H10147 [1,1,0,0,0,0|1,0,0]=3 225 B10R1.1 CNCC1=CC=C(O)C=C1 31972 [1,1,0,0,0,0|0,0,0]=2 226 B10R1.1 COCC1=CC=C(O)C=C1 63646 [1,1,0,0,0,0|1,0,0]=3 227 B10R1.1 CSCC1=CC=C(Br)C=C1 W19176 [1,1,0,0,0,0|1,0,0]=3 228 B10R1.1 CSCC1=CC=C(C)C=C1 W19462 [1,1,0,0,0,0|1,0,0]=3 229 B10R1.1 CSCC1=CC=C(F)C=C1 W18716 [1,1,0,0,0,0|1,0,0]=3 230 B10R1.1 NCCC1=CN=C(Cl)C=C1 85004 [1,1,0,0,0,0|1,0,0]=3 231 B10R1.1 NNCC1=CC=C(F)C=C1 36999 [1,1,0,0,0,0|1,0,0]=3 232 B10R1.1 NNCC1=CN=C(Cl)C=C1 W16788 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.1 NOCC1=CC=C(Cl)C=C1 78769 [1,1,0,0,0,0|1,0,0]=3 234 B10R1.1 O=CCC1=CC=C(Cl)C=C1 74968 [1,1,0,0,0,0|1,0,1]=4 235 B10R1.1 OCCC1=NC=C(Br)C=C1 37598 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.1 OCCC1=NC=C(F)C=C1 P18353 [1,1,0,0,0,0|2,0,0]=4 237 B10R1.4 CC1=C(CCN)C=CC=C1 C78305 [1,1,0,0,0,0|0,0,0]=2 238 B10R1.4 CC1=CC=CN=C1CCN C80033 [1,1,0,0,0,0|1,0,0]=3 239 B10R1.4 CCNC1=C(N)C=NC=C1 W19029 [1,1,0,0,0,0|2,0,0]=4 240 B10R1.4 CCNC1=C(O)C=CC=C1 I11473 [1,1,0,0,0,0|1,0,0]=3 241 B10R1.4 CCNC1=CC=CN=C1N P19791 [1,1,0,0,0,0|2,0,0]=4 242 B10R1.4 CCOC1=C(N)C=CN=C1 79299 [1,1,0,0,0,0|2,0,0]=4 243 B10R1.4 CCOC1=CC=CN=C1F AC1769 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.4 CCOC1=CC=CNC1=O N13107 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.4 CCOC1=NC=CC=C1O 79061 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.4 CNCC1=CC=CN=C1C AC2519 [1,1,0,0,0,0|1,0,0]=3 247 B10R1.4 COCC1=C(O)C=CC=C1 AC1453 [1,1,0,0,0,0|1,0,0]=3 248 B10R1.4 N#CCC1=C(O)C=CC=C1 32266 [1,1,0,0,0,0|0,0,2]=4 249 B10R1.4 NC1=C(CCO)C=CC=N1 70885 [1,1,0,0,0,0|2,0,0]=4 250 B10R1.4 NCCC1=C(Br)C=CC=N1 P10594 [1,1,0,0,0,0|1,0,0]=3 251 B10R1.4 NCCC1=C(O)C=CC=C1 83456 [1,1,0,0,0,0|0,0,0]=2 252 B10R1.4 NNCC1=C(Br)C=CC=C1 37005 [1,1,0,0,0,0|1,0,0]=3 253 B10R1.4 O=CCC1=C(Br)C=CC=C1 W16824 [1,1,0,0,0,0|1,0,1]=4 254 B10R1.4 O=CCC1=C(F)C=CC=C1 W16825 [1,1,0,0,0,0|1,0,1]=4 255 B10R1.4 OCCC1=C(F)C=CC=N1 P15943 [1,1,0,0,0,0|2,0,0]=4 256 B10R1.4 [BH3-]C1=C(CNC)C=CC=C1 AC8598 [1,1,0,0,0,0|0,0,0]=2 257 B10R1.10 C=CCC1=CC=CC(O)=C1 AC1729 [1,1,0,0,0,0|0,0,2]=4 258 B10R1.10 CC#CC1=CC=CC(Br)=C1 Y10633 [1,1,0,0,0,0|0,0,2]=4 259 B10R1.10 CC1=CC=CC(CCCl)=C1 C74996 [1,1,0,0,0,0|1,0,0]=3 260 B10R1.10 CCCC1=CC=CC(Br)=C1 W17019 [1,1,0,0,0,0|0,0,0]=2 261 B10R1.10 CCCC1=CC=CC(N)=C1 S11405 [1,1,0,0,0,0|0,0,0]=2 262 B10R1.10 CCNC1=CC=CC(F)=C1 AB11320 [1,1,0,0,0,0|1,0,0]=3 263 B10R1.10 CCNC1=CC=CC(O)=C1 T71675 [1,1,0,0,0,0|1,0,0]=3 264 B10R1.10 CCOC1=CC(Br)=NC=C1 C73290 [1,1,0,0,0,0|2,0,0]=4 265 B10R1.10 CCOC1=CC(Cl)=NC=C1 AC1568 [1,1,0,0,0,0|2,0,0]=4 266 B10R1.10 CCOC1=NC(N)=CC=C1 78558 [1,1,0,0,0,0|2,0,0]=4 267 B10R1.10 CCOC1=NC=CC(Cl)=C1 26911 [1,1,0,0,0,0|2,0,0]=4 268 B10R1.10 CNCC1=CC(C)=CC=C1 C78188 [1,1,0,0,0,0|0,0,0]=2 269 B10R1.10 CNCC1=CC=CC(Br)=N1 C76128 [1,1,0,0,0,0|1,0,0]=3 270 B10R1.10 COCC1=CC(Br)=CN=C1 W19232 [1,1,0,0,0,0|2,0,0]=4 271 B10R1.10 COCC1=CC(Cl)=NC=C1 CS1797 [1,1,0,0,0,0|2,0,0]=4 272 B10R1.10 CSCC1=CC(F)=CC=C1 A12575 [1,1,0,0,0,0|1,0,0]=3 273 B10R1.10 CSCC1=CC(N)=NC=C1 79313 [1,1,0,0,0,0|2,0,0]=4 274 B10R1.10 CSCC1=CC=CC(Br)=C1 W10420 [1,1,0,0,0,0|1,0,0]=3 275 B10R1.10 CSCC1=CC=CC(Cl)=C1 W19463 [1,1,0,0,0,0|1,0,0]=3 276 B10R1.10 NCCC1=CC=CC(N)=C1 51444 [1,1,0,0,0,0|0,0,0]=2 277 B10R1.10 NNCC1=CC=CC(Br)=C1 AC3898 [1,1,0,0,0,0|1,0,0]=3 278 B10R1.10 NNCC1=CC=CC(F)=C1 75837 [1,1,0,0,0,0|1,0,0]=3 279 B10R1.10 O=CCC1=CC=CC(Br)=C1 AB10311 [1,1,0,0,0,0|1,0,1]=4 280 B10R1.10 O=CCC1=CC=CC(F)=C1 W16826 [1,1,0,0,0,0|1,0,1]=4 281 B10R1.10 OCCC1=CC(Cl)=NC=C1 70307 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.10 OCCC1=CC=CC(Br)=N1 AC1439 [1,1,0,0,0,0|2,0,0]=4 283 B10R1.10 OCCC1=NC=CC(Br)=C1 73397 [1,1,0,0,0,0|2,0,0]=4 284 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 31291 [1,1,0,0,0,0|0,0,2]=4 285 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 32646 [1,1,0,0,0,0|0,0,2]=4 286 B10R1.15 C=C(CBr)C1=CC=CC=C1 35089 [1,1,0,0,0,0|1,0,1]=4 287 B10R1.15 C=C(CC)C1=CC=CC=C1 C73845 [1,1,0,0,0,0|0,0,1]=3 288 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11941 [1,1,0,0,0,0|0,0,2]=4 289 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11942 [1,1,0,0,0,0|0,0,2]=4 290 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y12425 [1,1,0,0,0,0|0,0,2]=4 291 B10R1.15 CCN(C)C1=CC=CC=C1 S10715 [1,1,0,0,0,0|1,0,0]=3 292 B10R1.15 CC[C@H](Br)C1=CC=CC=C1 A11640 [1,1,0,0,0,0|0,0,0]=2 293 B10R1.15 CC[C@H](N)C1=CC=CN=C1 31586 [1,1,0,0,0,0|1,0,0]=3 294 B10R1.15 CC[C@H](N)C1=CC=CN=C1 74009 [1,1,0,0,0,0|1,0,0]=3 295 B10R1.15 CC[C@H](N)C1=CC=NC=C1 31287 [1,1,0,0,0,0|1,0,0]=3 296 B10R1.15 CC[C@H](N)C1=CC=NC=C1 74015 [1,1,0,0,0,0|1,0,0]=3 297 B10R1.15 CC[C@H](N)C1=CC=NC=C1 74017 [1,1,0,0,0,0|1,0,0]=3 298 B10R1.15 CC[C@H](N)C1=CC=NC=C1 D81379 [1,1,0,0,0,0|1,0,0]=3 299 B10R1.15 CC[C@H](N)C1=NC=CC=C1 F16910 [1,1,0,0,0,0|1,0,0]=3 300 B10R1.15 CC[C@H](N)C1=NC=CC=C1 I11245 [1,1,0,0,0,0|1,0,0]=3 301 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10610 [1,1,0,0,0,0|1,0,0]=3 302 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11176 [1,1,0,0,0,0|1,0,0]=3 303 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11466 [1,1,0,0,0,0|1,0,0]=3 304 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y12115 [1,1,0,0,0,0|1,0,0]=3 305 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [1,1,0,0,0,0|0,0,0]=2 306 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [1,1,0,0,0,0|0,0,0]=2 307 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 32835 [1,1,0,0,0,0|1,0,0]=3 308 B10R1.15 N=C(NN)C1=CC=CC=C1 D97377 [1,1,0,0,0,0|1,0,1]=4 309 B10R1.15 NC[C@H](N)C1=CC=CC=C1 N12631 [1,1,0,0,0,0|0,0,0]=2 310 B10R1.15 NC[C@H](O)C1=NC=CC=C1 C77057 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.15 NNC(=S)C1=CC=CC=C1 W10972 [1,1,0,0,0,0|1,0,1]=4 312 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 32217 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y11463 [1,1,0,0,0,0|2,0,0]=4 314 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y12121 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y13389 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 F13354 [1,1,0,0,0,0|2,0,0]=4 317 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12482 [1,1,0,0,0,0|2,0,0]=4 318 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 D85222 [1,1,0,0,0,0|2,0,0]=4 319 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y13398 [1,1,0,0,0,0|2,0,0]=4 320 B10R1.15 O=C[C@H](Br)C1=CC=CC=C1 F13390 [1,1,0,0,0,0|1,0,1]=4 321 B10R1.15 O[C@@H](CF)C1=CC=CC=C1 C91661 [1,1,0,0,0,0|1,0,0]=3 322 B10R1.18 CC(=O)CC1=CN=CC=C1 28512 [1,1,0,0,0,0|1,0,1]=4 323 B10R1.18 CC(=O)NC1=CC=CC=C1 D72485 [1,1,0,0,0,0|1,0,1]=4 324 B10R1.18 C[C@H](N)CC1=NC=CC=C1 C80024 [1,1,0,0,0,0|1,0,0]=3 325 B10R1.18 FC(F)SC1=CC=CC=C1 I11988 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.18 N=C(N)CC1=CC=CC=C1 F19863 [1,1,0,0,0,0|0,0,1]=3 327 B10R1.18 NC(=S)CC1=CC=CC=C1 71029 [1,1,0,0,0,0|0,0,1]=3 328 B10R1.16 CCCCC1=CC=C(Br)S1 W19333 [0,1,0,0,1,0|2,0,0]=4 329 B10R1.21 CCNCCN1C=CN=C1 31914 [0,1,0,0,1,0|2,0,0]=4 330 B12R1.1 CCCCCC1=CC=C(F)C=C1 A11207 [0,2,0,0,0,0|1,0,0]=3 331 B12R1.1 CCCCOC1=CN=C(Br)C=C1 A12893 [0,2,0,0,0,0|2,0,0]=4 332 B12R1.1 COCCOC1=CC=C(O)C=C1 27038 [0,2,0,0,0,0|1,0,0]=3 333 B12R1.1 FC1=CC=C(CCCCCl)C=C1 C13856 [0,2,0,0,0,0|1,0,0]=3 334 B12R1.1 FC1=CC=C(OCCCCl)C=C1 D77782 [0,2,0,0,0,0|2,0,0]=4 335 B12R1.1 N#CCCOC1=CC=C(Cl)C=C1 AC8492 [0,2,0,0,0,0|2,0,0]=4 336 B12R1.1 NCCCCC1=CC=C(Cl)C=C1 VT1079 [0,2,0,0,0,0|1,0,0]=3 337 B12R1.1 NCCCCC1=CC=C(O)C=C1 P16850 [0,2,0,0,0,0|1,0,0]=3 338 B12R1.1 OCCCOC1=CC=C(Br)C=C1 88164 [0,2,0,0,0,0|2,0,0]=4 339 B12R1.1 OCCNCC1=CC=C(F)C=C1 C80019 [0,2,0,0,0,0|2,0,0]=4 340 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 74243 [0,2,0,0,0,0|1,0,1]=4 341 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 74244 [0,2,0,0,0,0|1,0,1]=4 342 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 74245 [0,2,0,0,0,0|1,0,1]=4 343 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 I11603 [0,2,0,0,0,0|1,0,1]=4 344 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 I11639 [0,2,0,0,0,0|1,0,1]=4 345 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 N10600 [0,2,0,0,0,0|1,0,1]=4 346 B12R1.16 CC1=CC=C([C@@H](N)CCO)C=C1 66824 [0,2,0,0,0,0|2,0,0]=4 347 B12R1.16 CCCC(=O)C1=CC=C(C)C=C1 N13972 [0,2,0,0,0,0|1,0,1]=4 348 B12R1.16 CCC[C@H](N)C1=CC=C(C)C=C1 Y11987 [0,2,0,0,0,0|1,0,0]=3 349 B12R1.16 CCC[C@H](N)C1=CC=C(C)C=C1 Y14024 [0,2,0,0,0,0|1,0,0]=3 350 B12R1.16 CCC[C@H](N)C1=CC=C(F)C=C1 Y10286 [0,2,0,0,0,0|1,0,0]=3 351 B12R1.16 CNC[C@H](O)C1=CC=C(O)C=C1 42875 [0,2,0,0,0,0|0,0,0]=2 352 B12R1.16 COC[C@H](N)C1=CC=C(Cl)C=C1 D81217 [0,2,0,0,0,0|1,0,0]=3 353 B12R1.16 N#CC[C@H](N)C1=CC=C(Br)C=C1 Y14253 [0,2,0,0,0,0|2,0,0]=4 354 B12R1.16 N#CC[C@H](N)C1=CC=C(Cl)C=C1 Y14262 [0,2,0,0,0,0|2,0,0]=4 355 B12R1.16 N#CC[C@H](N)C1=CC=C(F)C=C1 Y14259 [0,2,0,0,0,0|2,0,0]=4 356 B12R1.16 NC1=CC=C([C@@H](N)CCO)C=C1 11356 [0,2,0,0,0,0|2,0,0]=4 357 B12R1.16 N[C@@H](CCO)C1=CC=C(Br)C=C1 55910 [0,2,0,0,0,0|2,0,0]=4 358 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 58176 [0,2,0,0,0,0|2,0,0]=4 359 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 58178 [0,2,0,0,0,0|2,0,0]=4 360 B12R1.16 N[C@@H](CCO)C1=CC=C(F)C=C1 61118 [0,2,0,0,0,0|2,0,0]=4 361 B12R1.16 O[C@@H](CCCl)C1=CC=C(F)C=C1 Y10754 [0,2,0,0,0,0|2,0,0]=4 362 B12R1.21 CC(=O)CCC1=CC=C(F)C=C1 D71139 [0,2,0,0,0,0|1,0,0]=3 363 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 20599 [0,2,0,0,0,0|2,0,0]=4 364 B12R1.21 CC(C)OCC1=CC=C(Br)C=C1 N10192 [0,2,0,0,0,0|2,0,0]=4 365 B12R1.21 CC1=CC=C(OC[C@H](C)N)C=C1 F50498 [0,2,0,0,0,0|2,0,0]=4 366 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 T72748 [0,2,0,0,0,0|2,0,0]=4 367 B12R1.49 CC1=CC=C(CC(=O)NN)C=C1 W18215 [0,2,0,0,0,0|1,0,1]=4 368 B12R1.49 CCC(=O)CC1=CC=C(Br)C=C1 79685 [0,2,0,0,0,0|1,0,1]=4 369 B12R1.49 CCC(=O)CC1=CC=C(C)C=C1 N12572 [0,2,0,0,0,0|1,0,1]=4 370 B12R1.49 CCC(=O)CC1=CC=C(F)C=C1 N14142 [0,2,0,0,0,0|1,0,1]=4 371 B12R1.49 CNC(=S)NC1=CC=C(Br)C=C1 F19872 [0,2,0,0,0,0|1,0,1]=4 372 B12R1.49 NC1=CC=C(C[C@H](N)CO)C=C1 Y11490 [0,2,0,0,0,0|2,0,0]=4 373 B12R1.49 N[C@H](CO)CC1=CC=C(Br)C=C1 C78431 [0,2,0,0,0,0|2,0,0]=4 374 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 32524 [0,2,0,0,0,0|2,0,0]=4 375 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 N10806 [0,2,0,0,0,0|2,0,0]=4 376 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 N11400 [0,2,0,0,0,0|2,0,0]=4 377 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 N11305 [0,2,0,0,0,0|2,0,0]=4 378 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 N11306 [0,2,0,0,0,0|2,0,0]=4 379 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 Y11195 [0,2,0,0,0,0|2,0,0]=4 380 B12R1.69 CC1=CC(N)=C(CCCO)C=C1 W12077 [0,2,0,0,0,0|2,0,0]=4 381 B12R1.69 COCCN1C=CC(N)=CC1=O P17621 [0,2,0,0,0,0|2,0,0]=4 382 B12R1.69 COCOC1=C(Br)C=C(C)C=C1 C71191 [0,2,0,0,0,0|2,0,0]=4 383 B12R1.71 C=CC1=CC=C(CCCN)C=C1 W17096 [0,2,0,0,0,0|2,0,0]=4 384 B12R1.71 COC1=CC=C(CCCBr)C=C1 C78319 [0,2,0,0,0,0|2,0,0]=4 385 B12R1.385 CCCOC1=CC(N)=C(N)C=C1 79315 [0,2,0,0,0,0|2,0,0]=4 386 B12R1.385 CCNCC1=CC(O)=C(O)C=C1 32542 [0,2,0,0,0,0|2,0,0]=4 387 B12R1.17 CC1=CC=CC([C@@H](N)CCO)=C1 66831 [0,2,0,0,0,0|2,0,0]=4 388 B12R1.17 CCCC(=O)C1=CC=CC(Br)=C1 N13963 [0,2,0,0,0,0|1,0,1]=4 389 B12R1.17 N#CC[C@H](N)C1=CC=CC(Br)=C1 Y14263 [0,2,0,0,0,0|2,0,0]=4 390 B12R1.17 N#CC[C@H](N)C1=CC=CC(Cl)=C1 Y14267 [0,2,0,0,0,0|2,0,0]=4 391 B12R1.17 N#CC[C@H](N)C1=CC=CC(F)=C1 Y14254 [0,2,0,0,0,0|2,0,0]=4 392 B12R1.17 NC1=CC=CC([C@@H](N)CCO)=C1 51811 [0,2,0,0,0,0|2,0,0]=4 393 B12R1.17 N[C@@H](CCO)C1=CC=CC(Br)=C1 55916 [0,2,0,0,0,0|2,0,0]=4 394 B12R1.17 N[C@@H](CCO)C1=CC=CC(Cl)=C1 57811 [0,2,0,0,0,0|2,0,0]=4 395 B12R1.17 N[C@@H](CCO)C1=CC=CC(Cl)=C1 57812 [0,2,0,0,0,0|2,0,0]=4 396 B12R1.17 N[C@@H](CCO)C1=CC=CC(F)=C1 11345 [0,2,0,0,0,0|2,0,0]=4 397 B12R1.17 N[C@@H](CCO)C1=CC=CC(F)=C1 61121 [0,2,0,0,0,0|2,0,0]=4 398 B12R1.17 N[C@@H](CCO)C1=CC=CC(O)=C1 62495 [0,2,0,0,0,0|2,0,0]=4 399 B12R1.17 OCC[C@H](O)C1=CC=CC(Cl)=C1 AC8875 [0,2,0,0,0,0|2,0,0]=4 400 B12R1.30 N#CCCC(=O)C1=CC=CC=C1 T71019 [0,2,0,0,0,0|2,0,0]=4 401 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 N10728 [0,2,0,0,0,0|1,0,0]=3 402 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 N12911 [0,2,0,0,0,0|1,0,0]=3 403 B12R1.30 O=CNCC(=O)C1=CC=CC=C1 C76338 [0,2,0,0,0,0|0,0,2]=4 404 B12R1.34 CCC(C)C(N)C1=CC=CC=C1 FD10503 [0,2,0,0,0,0|1,0,0]=3 405 B12R1.34 CCC(C)[C@H](N)C1=CC=CC=C1 F31005 [0,2,0,0,0,0|1,0,0]=3 406 B12R1.34 CNC(=O)[C@H](N)C1=CC=CC=C1 AB10122 [0,2,0,0,0,0|0,0,1]=3 407 B12R1.34 CNC(=O)[C@H](O)C1=CC=CC=C1 D83930 [0,2,0,0,0,0|0,0,1]=3 408 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 W18371 [0,2,0,0,0,0|1,0,1]=4 409 B12R1.34 COC(=O)[C@H](F)C1=CC=CC=C1 O11875 [0,2,0,0,0,0|1,0,1]=4 410 B12R1.39 CC(C)(CC=O)C1=CC=CC=C1 C75972 [0,2,0,0,0,0|2,0,0]=4 411 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20111 [0,2,0,0,0,0|1,0,0]=3 412 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20113 [0,2,0,0,0,0|1,0,0]=3 413 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11320 [0,2,0,0,0,0|1,0,0]=3 414 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11540 [0,2,0,0,0,0|1,0,0]=3 415 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11782 [0,2,0,0,0,0|1,0,0]=3 416 B12R1.107 CN(C)C[C@H](N)C1=CC=CC=C1 C11392 [0,2,0,0,0,0|0,0,0]=2 417 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC1152 [0,2,0,0,0,0|2,0,0]=4 418 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC6792 [0,2,0,0,0,0|2,0,0]=4 419 B12R1.308 CCC[C@H](N)C1=C(C)C=CC=C1 20117 [0,2,0,0,0,0|1,0,0]=3 420 B12R1.308 CCC[C@H](N)C1=C(C)C=CC=C1 20119 [0,2,0,0,0,0|1,0,0]=3 421 B12R1.308 CCC[C@H](N)C1=C(C)C=CC=C1 N13254 [0,2,0,0,0,0|1,0,0]=3 422 B12R1.308 N#CC[C@H](N)C1=C(Br)C=CC=C1 Y14255 [0,2,0,0,0,0|2,0,0]=4 423 B12R1.308 N#CC[C@H](N)C1=C(Cl)C=CC=C1 Y14266 [0,2,0,0,0,0|2,0,0]=4 424 B12R1.308 NC1=C([C@@H](N)CCO)C=CC=C1 51813 [0,2,0,0,0,0|2,0,0]=4 425 B12R1.308 N[C@@H](CCO)C1=C(Cl)C=CC=C1 58179 [0,2,0,0,0,0|2,0,0]=4 426 B12R1.25 CCNCC1=CC=CC(F)=C1F AC2475 [0,2,0,0,0,0|2,0,0]=4 427 B12R1.25 COCCN1C=CC=C(N)C1=O C71982 [0,2,0,0,0,0|2,0,0]=4 428 B12R1.121 COC1=C(CCC=O)C=CC=C1 F19725 [0,2,0,0,0,0|2,0,0]=4 429 B12R1.121 COC1=C(CCCO)C=CC=C1 F19813 [0,2,0,0,0,0|2,0,0]=4 430 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 C76570 [0,2,0,0,0,0|2,0,0]=4 431 B12R1.125 CC1=C(CNC(C)C)C=CC=C1 C78577 [0,2,0,0,0,0|2,0,0]=4 432 B12R1.267 FC1=C(OCCCBr)C=CC=C1 F50437 [0,2,0,0,0,0|2,0,0]=4 433 B12R1.267 N#CCCCC1=C(F)C=CC=C1 20843 [0,2,0,0,0,0|1,0,1]=4 434 B12R1.267 OCCCCC1=C(Br)C=CC=C1 21173 [0,2,0,0,0,0|1,0,0]=3 435 B12R1.371 CCC(=O)CC1=C(F)C=CC=C1 N14134 [0,2,0,0,0,0|1,0,1]=4 436 B12R1.371 CNC(=O)CC1=C(Cl)C=CC=C1 W10824 [0,2,0,0,0,0|0,0,1]=3 437 B12R1.371 COC(=O)CC1=C(I)C=CC=C1 D93618 [0,2,0,0,0,0|1,0,1]=4 438 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 26282 [0,2,0,0,0,0|1,0,1]=4 439 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 35782 [0,2,0,0,0,0|1,0,1]=4 440 B12R1.371 NNC(=O)CC1=C(Br)C=CC=C1 AB10425 [0,2,0,0,0,0|1,0,1]=4 441 B12R1.371 N[C@H](CO)CC1=C(F)C=CC=C1 N10850 [0,2,0,0,0,0|2,0,0]=4 442 B12R1.371 N[C@H](CO)CC1=C(F)C=CC=C1 N11125 [0,2,0,0,0,0|2,0,0]=4 443 B12R1.374 CCNCC1=C(O)C=CC(Br)=C1 31606 [0,2,0,0,0,0|2,0,0]=4 444 B12R1.374 CCNCC1=C(O)C=CC(Cl)=C1 31829 [0,2,0,0,0,0|2,0,0]=4 445 B12R1.374 CCNCC1=C(O)C=CC(F)=C1 31723 [0,2,0,0,0,0|2,0,0]=4 446 B12R1.1631 CCNCC1=C(Cl)C=CC=C1F I11017 [0,2,0,0,0,0|2,0,0]=4 447 B12R1.28 CCCCCC1=CC=CC(F)=C1 36943 [0,2,0,0,0,0|1,0,0]=3 448 B12R1.28 CCCCOC1=NC=CC(N)=C1 C76837 [0,2,0,0,0,0|2,0,0]=4 449 B12R1.28 COCCOC1=NC=CC(Br)=C1 C72171 [0,2,0,0,0,0|2,0,0]=4 450 B12R1.28 COCCOC1=NC=CC(N)=C1 W16004 [0,2,0,0,0,0|2,0,0]=4 451 B12R1.28 NCCCOC1=CC=CC(Cl)=C1 F21043 [0,2,0,0,0,0|2,0,0]=4 452 B12R1.28 NCCCOC1=CC=CC(F)=C1 30687 [0,2,0,0,0,0|2,0,0]=4 453 B12R1.50 CC1=CC=CC(C[C@H](N)CO)=C1 C78158 [0,2,0,0,0,0|2,0,0]=4 454 B12R1.50 CCC(=O)CC1=CC(C)=CC=C1 N14166 [0,2,0,0,0,0|1,0,1]=4 455 B12R1.50 CCC(=O)CC1=CC=CC(Cl)=C1 N14150 [0,2,0,0,0,0|1,0,1]=4 456 B12R1.50 NNC(=O)CC1=CC=CC(Cl)=C1 C78389 [0,2,0,0,0,0|1,0,1]=4 457 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 N11151 [0,2,0,0,0,0|2,0,0]=4 458 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 N11309 [0,2,0,0,0,0|2,0,0]=4 459 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 N11126 [0,2,0,0,0,0|2,0,0]=4 460 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 N11310 [0,2,0,0,0,0|2,0,0]=4 461 B12R1.226 CC(=O)SCC1=CC=CC(I)=C1 21164 [0,2,0,0,0,0|2,0,0]=4 462 B12R1.226 CC(C)CNC1=CC=CC(Br)=C1 W16002 [0,2,0,0,0,0|2,0,0]=4 463 B12R1.226 CC(C)COC1=CC(O)=CC=C1 W16042 [0,2,0,0,0,0|2,0,0]=4 464 B12R1.382 CCNCC1=CC=CC(OC)=C1 78288 [0,2,0,0,0,0|2,0,0]=4 465 B12R1.382 CNCCC1=CC=CC(OC)=C1 27068 [0,2,0,0,0,0|0,0,0]=2 466 B12R1.382 COC1=CC=CC(CCCBr)=C1 C78405 [0,2,0,0,0,0|2,0,0]=4 467 B12R1.382 COCCC1=CC(CN)=CC=C1 32411 [0,2,0,0,0,0|1,0,0]=3 468 B12R1.8 C=CCCOCC1=CC=CC=C1 AC6656 [0,2,0,0,0,0|1,0,1]=4 469 B12R1.8 CCCCCCC1=CC=NC=C1 O11233 [0,2,0,0,0,0|2,0,0]=4 470 B12R1.8 CCCCCC[N+]1=CC=CC=C1 T72952 [0,2,0,0,0,0|2,0,0]=4 471 B12R1.8 CCCCCNC1=CC=CC=C1 T72196 [0,2,0,0,0,0|1,0,0]=3 472 B12R1.8 N#CCCCOC1=CC=CC=C1 20767 [0,2,0,0,0,0|1,0,1]=4 473 B12R1.8 NCCCCOC1=CC=CC=C1 AB7703 [0,2,0,0,0,0|1,0,0]=3 474 B12R1.8 NCCCOCC1=CC=CC=C1 C73224 [0,2,0,0,0,0|1,0,0]=3 475 B12R1.8 OCCCC#CC1=CC=CC=C1 T72149 [0,2,0,0,0,0|1,0,1]=4 476 B12R1.27 CCC(=O)NCC1=CC=CC=C1 Y13566 [0,2,0,0,0,0|1,0,1]=4 477 B12R1.27 COC(=O)CCC1=NC=CC=C1 AC5808 [0,2,0,0,0,0|2,0,0]=4 478 B12R1.27 COC(=O)NCC1=CC=CC=C1 C75727 [0,2,0,0,0,0|1,0,1]=4 479 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 Y10083 [0,2,0,0,0,0|2,0,0]=4 480 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 A11325 [0,2,0,0,0,0|1,0,0]=3 481 B12R1.27 O[C@H](CCl)COC1=CC=CC=C1 N13287 [0,2,0,0,0,0|2,0,0]=4 482 B12R1.32 C#CCN(C)CC1=CC=CC=C1 29243 [0,2,0,0,0,0|1,0,1]=4 483 B12R1.32 COCC(=O)OC1=CC=CC=C1 AC8183 [0,2,0,0,0,0|1,0,1]=4 484 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9579 [0,2,0,0,0,0|1,0,0]=3 485 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9580 [0,2,0,0,0,0|1,0,0]=3 486 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 F52615 [0,2,0,0,0,0|1,0,1]=4 487 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 Y10616 [0,2,0,0,0,0|1,0,0]=3 488 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 F10253 [0,2,0,0,0,0|1,0,1]=4 489 B12R1.43 C[C@H](N)C(=O)CC1=CC=CC=C1 D80885 [0,2,0,0,0,0|1,0,1]=4 490 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O C73515 [0,2,0,0,0,0|2,0,0]=4 491 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 F16780 [0,2,0,0,0,0|2,0,0]=4 492 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 N12599 [0,2,0,0,0,0|0,0,0]=2 493 B12R1.118 N#C[C@H](CO)CC1=CC=CC=C1 AC5751 [0,2,0,0,0,0|2,0,0]=4 494 B12R1.118 OCC(CO)CC1=CC=CC=C1 20620 [0,2,0,0,0,0|2,0,0]=4 495 B12R1.194 NNS(=O)(=O)CC1=CC=CC=C1 D83334 [0,2,0,0,0,0|2,0,0]=4 496 B12R1.891 F[B-](F)(F)CCC1=CC=CC=C1 29661 [0,2,0,0,0,0|2,0,0]=4 497 B10R2.7 C1=CC2=C(C=N1)CCN2 86683 [1,0,0,1,0,0|1,0,0]=3 498 B10R2.7 C1=CC2=C(C=N1)CNC2 83142 [1,0,0,1,0,0|1,0,0]=3 499 B10R2.7 C1=CC2=C(C=N1)CNC2 SC3491 [1,0,0,1,0,0|1,0,0]=3 500 B10R2.7 C1=CC2=C(C=N1)NCC2 A10607 [1,0,0,1,0,0|1,0,0]=3 501 B10R2.7 C1=CC2=C(C=N1)NCC2 C73056 [1,0,0,1,0,0|1,0,0]=3 502 B10R2.7 C1=CN=C2CCNC2=C1 70854 [1,0,0,1,0,0|1,0,0]=3 503 B10R2.7 C1=CN=C2CNCC2=C1 83068 [1,0,0,1,0,0|1,0,0]=3 504 B10R2.7 C1=CN=C2CNCC2=C1 SC3341 [1,0,0,1,0,0|1,0,0]=3 505 B10R2.7 C1=CN=C2CNCC2=N1 50637 [1,0,0,1,0,0|2,0,0]=4 506 B10R2.7 C1=NC=C2CNCC2=N1 27191 [1,0,0,1,0,0|2,0,0]=4 507 B10R2.7 C1=NC=C2CNCC2=N1 83076 [1,0,0,1,0,0|2,0,0]=4 508 B10R2.7 C1=NC=C2CNCC2=N1 SC2921 [1,0,0,1,0,0|2,0,0]=4 509 B10R2.320 O=C1CC2=C1C=CC=C2 67963 [1,0,0,1,0,0|1,0,1]=4 510 B10R2.136 C1=CN(C2CNC2)C=N1 F50488 [0,0,0,1,1,0|2,0,0]=4 511 B10R2.136 C1=CN(C2CNC2)N=C1 C90685 [0,0,0,1,1,0|2,0,0]=4 512 B12R2.24 BrC1=CC2=C(C=C1)CCCO2 I11495 [0,1,0,1,0,0|2,0,0]=4 513 B12R2.24 BrC1=CC2=C(C=C1)CCOC2 O11641 [0,1,0,1,0,0|1,0,0]=3 514 B12R2.24 BrC1=CC2=C(C=C1)COCC2 72150 [0,1,0,1,0,0|1,0,0]=3 515 B12R2.24 BrC1=CN=C2CCNCC2=C1 21007 [0,1,0,1,0,0|1,0,0]=3 516 B12R2.24 BrC1=CN=C2CCNCC2=C1 P19234 [0,1,0,1,0,0|1,0,0]=3 517 B12R2.24 BrC1=CN=C2CCNCC2=C1 SC2711 [0,1,0,1,0,0|1,0,0]=3 518 B12R2.24 BrC1=NC2=C(C=C1)CCCC2 D82621 [0,1,0,1,0,0|2,0,0]=4 519 B12R2.24 CC1=CC2=C(C=C1)CCCC2 I10992 [0,1,0,1,0,0|1,0,0]=3 520 B12R2.24 CC1=CC2=C(C=C1)CCCN2 26368 [0,1,0,1,0,0|2,0,0]=4 521 B12R2.24 CC1=CC2=C(C=C1)CCCN2 H11139 [0,1,0,1,0,0|2,0,0]=4 522 B12R2.24 CC1=CC2=C(C=C1)CCCO2 Y13225 [0,1,0,1,0,0|2,0,0]=4 523 B12R2.24 CC1=CC2=C(C=C1)CCOC2 N14607 [0,1,0,1,0,0|1,0,0]=3 524 B12R2.24 CC1=NC=C2CNCCC2=N1 94632 [0,1,0,1,0,0|2,0,0]=4 525 B12R2.24 CN1CCC2=C(C=CC=C2)C1 66638 [0,1,0,1,0,0|0,0,0]=2 526 B12R2.24 CN1CCC2=C(C=CC=C2)C1 O10829 [0,1,0,1,0,0|0,0,0]=2 527 B12R2.24 C[C@H]1CNC2=C(C=CC=C2)O1 71634 [0,1,0,1,0,0|2,0,0]=4 528 B12R2.24 C[C@H]1COC2=C(C=CC=C2)N1 71352 [0,1,0,1,0,0|2,0,0]=4 529 B12R2.24 ClC1=CC2=C(C=C1)CCCC2 N11405 [0,1,0,1,0,0|1,0,0]=3 530 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 C10821 [0,1,0,1,0,0|2,0,0]=4 531 B12R2.24 ClC1=CC2=C(C=C1)CCCO2 Y13230 [0,1,0,1,0,0|2,0,0]=4 532 B12R2.24 ClC1=CC2=C(C=C1)CCN=C2 F10402 [0,1,0,1,0,0|0,0,2]=4 533 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 28104 [0,1,0,1,0,0|0,0,0]=2 534 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 O11644 [0,1,0,1,0,0|0,0,0]=2 535 B12R2.24 ClC1=CC2=C(C=C1)CNCC2 83052 [0,1,0,1,0,0|0,0,0]=2 536 B12R2.24 ClC1=CC2=C(C=C1)OCCC2 N11282 [0,1,0,1,0,0|2,0,0]=4 537 B12R2.24 ClC1=NC2=C(C=C1)CCCC2 51056 [0,1,0,1,0,0|2,0,0]=4 538 B12R2.24 ClC1=NC2=C(C=C1)CNCC2 F11138 [0,1,0,1,0,0|1,0,0]=3 539 B12R2.24 ClC1=NC2=C(C=N1)CCNC2 F50760 [0,1,0,1,0,0|2,0,0]=4 540 B12R2.24 ClC1=NC2=C(C=N1)CNCC2 83059 [0,1,0,1,0,0|2,0,0]=4 541 B12R2.24 ClC1=NC2=C(C=N1)CNCC2 P10751 [0,1,0,1,0,0|2,0,0]=4 542 B12R2.24 ClC1=NN=C2CCNCC2=C1 FD7033 [0,1,0,1,0,0|2,0,0]=4 543 B12R2.24 FC1=CC2=C(C=C1)CCCC2 N10855 [0,1,0,1,0,0|1,0,0]=3 544 B12R2.24 FC1=CC2=C(C=C1)CCCN2 N12847 [0,1,0,1,0,0|2,0,0]=4 545 B12R2.24 FC1=CC2=C(C=C1)CCCO2 Y13024 [0,1,0,1,0,0|2,0,0]=4 546 B12R2.24 FC1=CC2=C(C=C1)OCCC2 Y11947 [0,1,0,1,0,0|2,0,0]=4 547 B12R2.24 IC1=CC2=C(C=C1)OCCC2 32826 [0,1,0,1,0,0|2,0,0]=4 548 B12R2.24 NC1=CC2=C(C=C1)CCCN2 F21389 [0,1,0,1,0,0|2,0,0]=4 549 B12R2.24 NC1=CC2=C(C=C1)CCCO2 Y13028 [0,1,0,1,0,0|2,0,0]=4 550 B12R2.24 NC1=CC2=C(C=C1)CCNC2 F19187 [0,1,0,1,0,0|0,0,0]=2 551 B12R2.24 NC1=CC2=C(C=C1)CNCC2 51458 [0,1,0,1,0,0|0,0,0]=2 552 B12R2.24 NC1=CC2=C(C=C1)CNCC2 52057 [0,1,0,1,0,0|0,0,0]=2 553 B12R2.24 NC1=CC2=C(C=C1)OCCC2 Y12467 [0,1,0,1,0,0|2,0,0]=4 554 B12R2.24 NC1=CC2=C(C=C1)OCCC2 Y13365 [0,1,0,1,0,0|2,0,0]=4 555 B12R2.24 NC1=CC2=C(CCOC2)N=C1 72372 [0,1,0,1,0,0|2,0,0]=4 556 B12R2.24 NC1=CN=C2CCCCC2=C1 F30818 [0,1,0,1,0,0|2,0,0]=4 557 B12R2.24 NC1=CN=C2CCNCC2=C1 67454 [0,1,0,1,0,0|1,0,0]=3 558 B12R2.24 NC1=CN=C2CCNCC2=C1 FD7018 [0,1,0,1,0,0|1,0,0]=3 559 B12R2.24 NC1=NC=C2CCCCC2=C1 52994 [0,1,0,1,0,0|2,0,0]=4 560 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 20328 [0,1,0,1,0,0|2,0,0]=4 561 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 D86156 [0,1,0,1,0,0|2,0,0]=4 562 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 Y11370 [0,1,0,1,0,0|2,0,0]=4 563 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69307 [0,1,0,1,0,0|1,0,0]=3 564 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69309 [0,1,0,1,0,0|1,0,0]=3 565 B12R2.24 O=C1C=CC2=C(CCNC2)N1 89007 [0,1,0,1,0,0|1,0,0]=3 566 B12R2.24 O=C1C=CC2=C(CCNC2)N1 C76139 [0,1,0,1,0,0|1,0,0]=3 567 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 C15389 [0,1,0,1,0,0|0,0,1]=3 568 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 C76098 [0,1,0,1,0,0|1,0,1]=4 569 B12R2.24 OC1=CC2=C(C=C1)CCCO2 Y11632 [0,1,0,1,0,0|2,0,0]=4 570 B12R2.24 OC1=CC2=C(C=C1)CCNC2 S11181 [0,1,0,1,0,0|0,0,0]=2 571 B12R2.24 OC1=CC2=C(C=C1)CCOC2 Y13231 [0,1,0,1,0,0|1,0,0]=3 572 B12R2.24 OC1=CC2=C(C=C1)COCC2 N13209 [0,1,0,1,0,0|1,0,0]=3 573 B12R2.24 OC1=CC2=C(C=C1)OCCC2 N12986 [0,1,0,1,0,0|2,0,0]=4 574 B12R2.24 OC1=CN=C2CCNCC2=C1 S11487 [0,1,0,1,0,0|1,0,0]=3 575 B12R2.24 OC1=CN=C2CCNCC2=C1 SC1341 [0,1,0,1,0,0|1,0,0]=3 576 B12R2.24 OC1=NC2=C(C=N1)CNCC2 S10511 [0,1,0,1,0,0|2,0,0]=4 577 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P11165 [0,1,0,1,0,0|2,0,0]=4 578 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P12593 [0,1,0,1,0,0|2,0,0]=4 579 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P17350 [0,1,0,1,0,0|2,0,0]=4 580 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 F31086 [0,1,0,1,0,0|2,0,0]=4 581 B12R2.79 NC1CC1C2=CC=C(F)C=C2 F31089 [0,1,0,1,0,0|2,0,0]=4 582 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 F31004 [0,1,0,1,0,0|2,0,0]=4 583 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 F31006 [0,1,0,1,0,0|2,0,0]=4 584 B12R2.132 CC1=CC2=C(C=C1)C=NN2C W16216 [0,1,0,1,0,0|1,0,1]=4 585 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2N N10991 [0,1,0,1,0,0|2,0,0]=4 586 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2N Y12626 [0,1,0,1,0,0|2,0,0]=4 587 B12R2.132 CC1=CC2=C(C=C1)N=CN2C F50516 [0,1,0,1,0,0|1,0,1]=4 588 B12R2.132 CN1C=CC2=C1C=C(Br)C=C2 78668 [0,1,0,1,0,0|0,0,2]=4 589 B12R2.132 CN1C=CC2=C1C=C(N)C=C2 C76766 [0,1,0,1,0,0|0,0,2]=4 590 B12R2.132 CN1C=NC2=C1C=C(N)C=C2 C74374 [0,1,0,1,0,0|1,0,1]=4 591 B12R2.132 CN1N=CC2=C1C=C(I)C=C2 C71796 [0,1,0,1,0,0|1,0,1]=4 592 B12R2.132 CN1N=CC2=C1C=C(O)C=C2 78492 [0,1,0,1,0,0|1,0,1]=4 593 B12R2.132 CN1N=NC2=C1C=C(Br)C=C2 C10116 [0,1,0,1,0,0|2,0,0]=4 594 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 71649 [0,1,0,1,0,0|2,0,0]=4 595 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 N10744 [0,1,0,1,0,0|2,0,0]=4 596 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 P10462 [0,1,0,1,0,0|2,0,0]=4 597 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 P10463 [0,1,0,1,0,0|2,0,0]=4 598 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 Y11201 [0,1,0,1,0,0|2,0,0]=4 599 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 Y12017 [0,1,0,1,0,0|2,0,0]=4 600 B12R2.132 N[C@H]1CCC2=C1C=C(Cl)C=C2 N13065 [0,1,0,1,0,0|2,0,0]=4 601 B12R2.132 N[C@H]1CCC2=C1C=C(Cl)C=C2 Y11815 [0,1,0,1,0,0|2,0,0]=4 602 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 F16923 [0,1,0,1,0,0|2,0,0]=4 603 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 I11030 [0,1,0,1,0,0|2,0,0]=4 604 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 Y10106 [0,1,0,1,0,0|2,0,0]=4 605 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 Y10313 [0,1,0,1,0,0|2,0,0]=4 606 B12R2.132 N[C@H]1CCC2=C1C=C(O)C=C2 P15824 [0,1,0,1,0,0|2,0,0]=4 607 B12R2.132 N[C@H]1CCC2=C1C=C(O)C=C2 Y10912 [0,1,0,1,0,0|2,0,0]=4 608 B12R2.132 O[C@H]1CCC2=C1C=C(Br)C=C2 N10435 [0,1,0,1,0,0|2,0,0]=4 609 B12R2.132 O[C@H]1CCC2=C1C=C(Cl)C=C2 53581 [0,1,0,1,0,0|2,0,0]=4 610 B12R2.132 O[C@H]1CCC2=C1C=C(F)C=C2 N13071 [0,1,0,1,0,0|2,0,0]=4 611 B12R2.2302 BrC1=CC=C(C2CCC2)C=C1 F52110 [0,1,0,1,0,0|1,0,0]=3 612 B12R2.2302 BrC1=CC=C(C2CNC2)C=C1 85616 [0,1,0,1,0,0|0,0,0]=2 613 B12R2.2302 BrC1=CN=C(C2CCC2)C=C1 55809 [0,1,0,1,0,0|2,0,0]=4 614 B12R2.2302 FC1=CC=C(C2CNC2)C=C1 84084 [0,1,0,1,0,0|0,0,0]=2 615 B12R2.2302 NC1=CC=C(C2COC2)C=C1 85368 [0,1,0,1,0,0|1,0,0]=3 616 B12R2.2 C1=CC([C@H]2CCNC2)=CC=N1 65604 [0,1,0,1,0,0|1,0,0]=3 617 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59896 [0,1,0,1,0,0|1,0,0]=3 618 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59947 [0,1,0,1,0,0|1,0,0]=3 619 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 N11212 [0,1,0,1,0,0|1,0,0]=3 620 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 69529 [0,1,0,1,0,0|0,0,0]=2 621 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P12556 [0,1,0,1,0,0|0,0,0]=2 622 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P15250 [0,1,0,1,0,0|0,0,0]=2 623 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 65001 [0,1,0,1,0,0|2,0,0]=4 624 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 CS3570 [0,1,0,1,0,0|2,0,0]=4 625 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 Y11039 [0,1,0,1,0,0|2,0,0]=4 626 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 Y11608 [0,1,0,1,0,0|2,0,0]=4 627 B12R2.2 C1=CN=C([C@H]2CCNC2)C=C1 C11366 [0,1,0,1,0,0|1,0,0]=3 628 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 CS3561 [0,1,0,1,0,0|2,0,0]=4 629 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 CS3564 [0,1,0,1,0,0|2,0,0]=4 630 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 Y10700 [0,1,0,1,0,0|2,0,0]=4 631 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 Y10808 [0,1,0,1,0,0|2,0,0]=4 632 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 Y11611 [0,1,0,1,0,0|2,0,0]=4 633 B12R2.2 C1=CN=CC([C@H]2CCNC2)=C1 AR1448 [0,1,0,1,0,0|1,0,0]=3 634 B12R2.22 NC1CN(C2=CC=CC=C2)C1 P16497 [0,1,0,1,0,0|2,0,0]=4 635 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 38954 [0,1,0,1,0,0|1,0,0]=3 636 B12R2.22 OC1CN(C2=CC=CC=C2)C1 P13302 [0,1,0,1,0,0|2,0,0]=4 637 B12R2.22 O[C@H]1C[C@@H](C2=CC=CC=C2)C1 91858 [0,1,0,1,0,0|1,0,0]=3 638 B12R2.22 O[C@H]1C[C@H](C2=CC=CC=C2)C1 91835 [0,1,0,1,0,0|1,0,0]=3 639 B12R2.27 OCC1CC1C2=CC=CC=C2 Y11022 [0,1,0,1,0,0|1,0,0]=3 640 B12R2.27 OC[C@@H]1C[C@@H]1C2=CC=CC=C2 55231 [0,1,0,1,0,0|1,0,0]=3 641 B12R2.27 OC[C@H]1C[C@@H]1C2=CC=CC=C2 55237 [0,1,0,1,0,0|1,0,0]=3 642 B12R2.116 FC1(C2=CC=CC=C2)CNC1 85150 [0,1,0,1,0,0|0,0,0]=2 643 B12R2.116 NC1(C2=CC=CC=C2)COC1 59767 [0,1,0,1,0,0|1,0,0]=3 644 B12R2.116 NC1(C2=CN=CC=C2)COC1 P16017 [0,1,0,1,0,0|2,0,0]=4 645 B12R2.116 OC1(C2=CC=CC=C2)CNC1 38604 [0,1,0,1,0,0|0,0,0]=2 646 B12R2.1081 BrC1=C2CCCCC2=CN=C1 84232 [0,1,0,1,0,0|2,0,0]=4 647 B12R2.1081 BrC1=C2CCCOC2=CC=C1 I11493 [0,1,0,1,0,0|2,0,0]=4 648 B12R2.1081 BrC1=C2CCOCC2=CC=C1 N13086 [0,1,0,1,0,0|1,0,0]=3 649 B12R2.1081 BrC1=C2CNCCC2=CC=C1 P10908 [0,1,0,1,0,0|0,0,0]=2 650 B12R2.1081 BrC1=C2COCCC2=CC=C1 72830 [0,1,0,1,0,0|1,0,0]=3 651 B12R2.1081 BrC1=C2NCCCC2=CC=C1 D82984 [0,1,0,1,0,0|2,0,0]=4 652 B12R2.1081 BrC1=C2OCCCC2=CC=C1 I11496 [0,1,0,1,0,0|2,0,0]=4 653 B12R2.1081 CC1=C2CCNCC2=NC=N1 SC1111 [0,1,0,1,0,0|2,0,0]=4 654 B12R2.1081 CC1=CC=CC2=C1CCCC2 N10858 [0,1,0,1,0,0|1,0,0]=3 655 B12R2.1081 CC1=CC=CC2=C1CCCO2 Y13226 [0,1,0,1,0,0|2,0,0]=4 656 B12R2.1081 CC1=CC=CC2=C1CCNC2 71743 [0,1,0,1,0,0|0,0,0]=2 657 B12R2.1081 CC1=CC=CC2=C1OCCC2 Y13223 [0,1,0,1,0,0|2,0,0]=4 658 B12R2.1081 CN1CCNC2=NC=CC=C21 D80285 [0,1,0,1,0,0|1,0,0]=3 659 B12R2.1081 CN1CCOC2=C1C=CC=C2 W18821 [0,1,0,1,0,0|0,0,0]=2 660 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 36617 [0,1,0,1,0,0|1,0,0]=3 661 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 A10659 [0,1,0,1,0,0|1,0,0]=3 662 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 64901 [0,1,0,1,0,0|0,0,0]=2 663 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 72471 [0,1,0,1,0,0|0,0,0]=2 664 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 W10122 [0,1,0,1,0,0|0,0,0]=2 665 B12R2.1081 ClC1=C2CCCCC2=CC=C1 Y13222 [0,1,0,1,0,0|1,0,0]=3 666 B12R2.1081 ClC1=C2CCNCC2=CC=C1 F52623 [0,1,0,1,0,0|0,0,0]=2 667 B12R2.1081 ClC1=C2CNCCC2=CC=C1 24214 [0,1,0,1,0,0|0,0,0]=2 668 B12R2.1081 ClC1=C2NCCCC2=CC=C1 F16849 [0,1,0,1,0,0|2,0,0]=4 669 B12R2.1081 ClC1=C2OCCCC2=CC=C1 N10904 [0,1,0,1,0,0|2,0,0]=4 670 B12R2.1081 FC1=C2CCCNC2=CC=C1 SC2341 [0,1,0,1,0,0|2,0,0]=4 671 B12R2.1081 FC1=C2CCCNC2=CC=C1 Y12021 [0,1,0,1,0,0|2,0,0]=4 672 B12R2.1081 FC1=C2CCNCC2=CC=C1 26908 [0,1,0,1,0,0|0,0,0]=2 673 B12R2.1081 FC1=C2CCNCC2=CC=C1 F13835 [0,1,0,1,0,0|0,0,0]=2 674 B12R2.1081 FC1=C2NCCCC2=CC=C1 N12833 [0,1,0,1,0,0|2,0,0]=4 675 B12R2.1081 FC1=C2OCCCC2=CC=C1 N11406 [0,1,0,1,0,0|2,0,0]=4 676 B12R2.1081 NC1=C2CNCCC2=CC=C1 81638 [0,1,0,1,0,0|0,0,0]=2 677 B12R2.1081 NC1=C2OCCCC2=CC=C1 N13184 [0,1,0,1,0,0|2,0,0]=4 678 B12R2.1081 NC1=CC=CC2=C1CCCN2 21021 [0,1,0,1,0,0|2,0,0]=4 679 B12R2.1081 NC1=CC=CC2=C1CCCO2 S11588 [0,1,0,1,0,0|2,0,0]=4 680 B12R2.1081 NC1=CC=CC2=C1CCCO2 S12176 [0,1,0,1,0,0|2,0,0]=4 681 B12R2.1081 NC1=NC=CC2=C1CCCC2 53695 [0,1,0,1,0,0|2,0,0]=4 682 B12R2.1081 N[C@H]1CCCC2=C1C=CN=C2 85239 [0,1,0,1,0,0|2,0,0]=4 683 B12R2.1081 N[C@H]1CCCC2=C1C=NC=C2 82163 [0,1,0,1,0,0|2,0,0]=4 684 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 50212 [0,1,0,1,0,0|2,0,0]=4 685 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 50215 [0,1,0,1,0,0|2,0,0]=4 686 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 RB3334 [0,1,0,1,0,0|2,0,0]=4 687 B12R2.1081 N[C@H]1CCCC2=NC=CC=C21 39151 [0,1,0,1,0,0|2,0,0]=4 688 B12R2.1081 N[C@H]1CCNC2=C1C=CC=C2 C76564 [0,1,0,1,0,0|2,0,0]=4 689 B12R2.1081 N[C@H]1CCNC2=C1C=CC=C2 F53442 [0,1,0,1,0,0|2,0,0]=4 690 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 71737 [0,1,0,1,0,0|2,0,0]=4 691 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 87775 [0,1,0,1,0,0|2,0,0]=4 692 B12R2.1081 N[C@H]1CNCC2=C1C=CC=C2 52240 [0,1,0,1,0,0|0,0,0]=2 693 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 37330 [0,1,0,1,0,0|1,0,0]=3 694 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 SC2561 [0,1,0,1,0,0|1,0,0]=3 695 B12R2.1081 O=C1CNNC2=C1C=CC=C2 H10992 [0,1,0,1,0,0|1,0,1]=4 696 B12R2.1081 O=C1N=CNC2=C1CNCC2 C13620 [0,1,0,1,0,0|2,0,0]=4 697 B12R2.1081 O=C1NC=CC2=C1CCNC2 67507 [0,1,0,1,0,0|1,0,0]=3 698 B12R2.1081 O=C1NC=NC2=C1CCNC2 SC3281 [0,1,0,1,0,0|2,0,0]=4 699 B12R2.1081 O=C1NC=NC2=C1CNCC2 SC3291 [0,1,0,1,0,0|2,0,0]=4 700 B12R2.1081 O=C1NCCC2=C1C=CC=N2 78448 [0,1,0,1,0,0|1,0,1]=4 701 B12R2.1081 O=C1NCCC2=C1C=NC=C2 P11596 [0,1,0,1,0,0|1,0,1]=4 702 B12R2.1081 OC1=C2CCCCC2=NC=C1 C16516 [0,1,0,1,0,0|2,0,0]=4 703 B12R2.1081 OC1=C2CCCNC2=CC=C1 F30097 [0,1,0,1,0,0|2,0,0]=4 704 B12R2.1081 OC1=C2CCNCC2=CC=C1 71954 [0,1,0,1,0,0|0,0,0]=2 705 B12R2.1081 OC1=C2CCNCC2=CC=C1 D80201 [0,1,0,1,0,0|0,0,0]=2 706 B12R2.1081 OC1=C2CNCCC2=CC=C1 F19176 [0,1,0,1,0,0|0,0,0]=2 707 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72122 [0,1,0,1,0,0|1,0,0]=3 708 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72587 [0,1,0,1,0,0|1,0,0]=3 709 B12R2.1081 O[C@H]1CCCC2=C1C=CN=C2 53689 [0,1,0,1,0,0|2,0,0]=4 710 B12R2.1081 O[C@H]1CCNC2=C1C=CC=C2 75128 [0,1,0,1,0,0|2,0,0]=4 711 B12R2.1081 O[C@H]1CCOC2=C1C=CC=C2 A12066 [0,1,0,1,0,0|2,0,0]=4 712 B12R2.1081 O[C@H]1COCC2=C1C=CC=C2 N13051 [0,1,0,1,0,0|1,0,0]=3 713 B12R2.2028 CN1C=C(Cl)C2=C1C=CC=C2 AB10986 [0,1,0,1,0,0|0,0,2]=4 714 B12R2.2028 CN1C=[N+](C)C2=C1C=CC=C2 C76285 [0,1,0,1,0,0|1,0,1]=4 715 B12R2.2028 CN1N=C(Br)C2=C1C=CC=C2 24258 [0,1,0,1,0,0|1,0,1]=4 716 B12R2.2028 CN1N=C(I)C2=C1C=CC=C2 87996 [0,1,0,1,0,0|1,0,1]=4 717 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 C71035 [0,1,0,1,0,0|1,0,1]=4 718 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 Y10002 [0,1,0,1,0,0|1,0,0]=3 719 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 Y10011 [0,1,0,1,0,0|1,0,0]=3 720 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 Y10344 [0,1,0,1,0,0|1,0,0]=3 721 B12R2.2075 N[C@H](C1=NC=CC=C1)C2CC2 29809 [0,1,0,1,0,0|2,0,0]=4 722 B12R2.32 BrCC1CC2=C(C=CC=C2)C1 83149 [0,1,0,1,0,0|2,0,0]=4 723 B12R2.32 CNC1=NC2=C(C=CC=C2)S1 71045 [0,1,0,1,0,0|1,0,1]=4 724 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 30218 [0,1,0,1,0,0|2,0,0]=4 725 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 P12564 [0,1,0,1,0,0|2,0,0]=4 726 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)O1 25158 [0,1,0,1,0,0|2,0,0]=4 727 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N Y11246 [0,1,0,1,0,0|2,0,0]=4 728 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N Y13340 [0,1,0,1,0,0|2,0,0]=4 729 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2O Y10331 [0,1,0,1,0,0|2,0,0]=4 730 B12R2.196 CN1C=CC2=C(Br)C=CC=C21 69935 [0,1,0,1,0,0|0,0,2]=4 731 B12R2.196 CN1C=CC2=C(O)C=CC=C21 25848 [0,1,0,1,0,0|0,0,2]=4 732 B12R2.196 CN1C=CC2=C1C=CC=C2N 51446 [0,1,0,1,0,0|0,0,2]=4 733 B12R2.196 CN1C=NC2=C(Br)C=CC=C21 35894 [0,1,0,1,0,0|1,0,1]=4 734 B12R2.196 CN1C=NC2=C(N)C=CC=C21 O10421 [0,1,0,1,0,0|1,0,1]=4 735 B12R2.196 CN1N=CC2=C(I)C=CC=C21 P11317 [0,1,0,1,0,0|1,0,1]=4 736 B12R2.196 CN1N=CC2=C(O)C=CC=C21 24174 [0,1,0,1,0,0|1,0,1]=4 737 B12R2.196 CN1N=CC2=C1C=CC=C2N 24173 [0,1,0,1,0,0|1,0,1]=4 738 B12R2.196 C[C@H]1CNC2=C(N)C=CC=C21 P20144 [0,1,0,1,0,0|2,0,0]=4 739 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 F16950 [0,1,0,1,0,0|2,0,0]=4 740 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 I10898 [0,1,0,1,0,0|2,0,0]=4 741 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 I10901 [0,1,0,1,0,0|2,0,0]=4 742 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 I11061 [0,1,0,1,0,0|2,0,0]=4 743 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 Y10107 [0,1,0,1,0,0|2,0,0]=4 744 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 Y10458 [0,1,0,1,0,0|2,0,0]=4 745 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 N12980 [0,1,0,1,0,0|2,0,0]=4 746 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 Y11443 [0,1,0,1,0,0|2,0,0]=4 747 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 20085 [0,1,0,1,0,0|2,0,0]=4 748 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 I10598 [0,1,0,1,0,0|2,0,0]=4 749 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 Y10916 [0,1,0,1,0,0|2,0,0]=4 750 B12R2.196 N[C@H]1CCC2=C(O)C=CC=C21 D80589 [0,1,0,1,0,0|2,0,0]=4 751 B12R2.196 N[C@H]1CCC2=C(O)C=CC=C21 N11146 [0,1,0,1,0,0|2,0,0]=4 752 B12R2.196 N[C@H]1CCC2=C(O)C=CC=C21 N12632 [0,1,0,1,0,0|2,0,0]=4 753 B12R2.196 O[C@H]1CCC2=C(Cl)C=CC=C21 N12836 [0,1,0,1,0,0|2,0,0]=4 754 B12R2.196 O[C@H]1CCC2=C(F)C=CC=C21 N13047 [0,1,0,1,0,0|2,0,0]=4 755 B12R2.225 BrC1=C(OC2CC2)C=CC=C1 AT13881 [0,1,0,1,0,0|2,0,0]=4 756 B12R2.517 ClC1=C(C2CCC2)N=CC=C1 86870 [0,1,0,1,0,0|2,0,0]=4 757 B12R2.517 ClC1=C(C2CNC2)C=CC=C1 85612 [0,1,0,1,0,0|0,0,0]=2 758 B12R2.517 IC1=C(C2COC2)C=CC=C1 86794 [0,1,0,1,0,0|1,0,0]=3 759 B12R2.80 NC1CC1C2=CC=CC(Cl)=C2 Y10415 [0,1,0,1,0,0|2,0,0]=4 760 B12R2.80 NC1CC1C2=CC=CC(F)=C2 F31083 [0,1,0,1,0,0|2,0,0]=4 761 B12R2.203 CC1=C2C(=CC=C1)CC[C@@H]2N F16924 [0,1,0,1,0,0|2,0,0]=4 762 B12R2.203 CC1=C2C(=CC=C1)CC[C@@H]2N N11228 [0,1,0,1,0,0|2,0,0]=4 763 B12R2.203 CC1=C2C(=CC=C1)CC[C@@H]2O 72767 [0,1,0,1,0,0|2,0,0]=4 764 B12R2.203 CN1C=NC2=C1C(N)=CC=C2 O10422 [0,1,0,1,0,0|1,0,1]=4 765 B12R2.203 CN1C=NC2=CC=CC(Br)=C21 91615 [0,1,0,1,0,0|1,0,1]=4 766 B12R2.203 CN1N=CC2=CC=CC(Br)=C21 26557 [0,1,0,1,0,0|1,0,1]=4 767 B12R2.203 CN1N=CC2=CC=CC(F)=C21 P16161 [0,1,0,1,0,0|1,0,1]=4 768 B12R2.203 NC1=C2C(=O)CCC2=CC=C1 79955 [0,1,0,1,0,0|2,0,0]=4 769 B12R2.203 N[C@H]1CCC2=CC=CC(Br)=C21 N11312 [0,1,0,1,0,0|2,0,0]=4 770 B12R2.203 N[C@H]1CCC2=CC=CC(Br)=C21 Y11358 [0,1,0,1,0,0|2,0,0]=4 771 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 Y10796 [0,1,0,1,0,0|2,0,0]=4 772 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 Y11442 [0,1,0,1,0,0|2,0,0]=4 773 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 Y11534 [0,1,0,1,0,0|2,0,0]=4 774 B12R2.203 N[C@H]1CCC2=CC=CC(O)=C21 F31358 [0,1,0,1,0,0|2,0,0]=4 775 B12R2.203 O=C1CCC2=CC=CC(Cl)=C12 58274 [0,1,0,1,0,0|2,0,0]=4 776 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 N10990 [0,1,0,1,0,0|2,0,0]=4 777 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 N12981 [0,1,0,1,0,0|2,0,0]=4 778 B12R2.612 CC1=CC2=C(C=C1)[C@@H](O)CC2 72141 [0,1,0,1,0,0|2,0,0]=4 779 B12R2.612 CN1C=CC2=C1C=CC(Cl)=C2 A10102 [0,1,0,1,0,0|0,0,2]=4 780 B12R2.612 CN1C=CC2=C1C=CC(O)=C2 F14443 [0,1,0,1,0,0|0,0,2]=4 781 B12R2.612 CN1CCC2=CC(Br)=CN=C21 S10257 [0,1,0,1,0,0|1,0,0]=3 782 B12R2.612 CN1N=CC2=C1C=CC(O)=C2 26833 [0,1,0,1,0,0|1,0,1]=4 783 B12R2.612 CN1N=NC2=C1C=CC(Br)=C2 F15530 [0,1,0,1,0,0|2,0,0]=4 784 B12R2.612 CN1N=NC2=C1C=CC(N)=C2 D92976 [0,1,0,1,0,0|2,0,0]=4 785 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 67300 [0,1,0,1,0,0|2,0,0]=4 786 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 67303 [0,1,0,1,0,0|2,0,0]=4 787 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 N11203 [0,1,0,1,0,0|2,0,0]=4 788 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 O10181 [0,1,0,1,0,0|2,0,0]=4 789 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 Y10109 [0,1,0,1,0,0|2,0,0]=4 790 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 N12837 [0,1,0,1,0,0|2,0,0]=4 791 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10880 [0,1,0,1,0,0|2,0,0]=4 792 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10881 [0,1,0,1,0,0|2,0,0]=4 793 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10918 [0,1,0,1,0,0|2,0,0]=4 794 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10919 [0,1,0,1,0,0|2,0,0]=4 795 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y11253 [0,1,0,1,0,0|2,0,0]=4 796 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y11814 [0,1,0,1,0,0|2,0,0]=4 797 B12R2.612 N[C@H]1CCC2=C1C=CC(O)=C2 Y11929 [0,1,0,1,0,0|2,0,0]=4 798 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 78363 [0,1,0,1,0,0|2,0,0]=4 799 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 67299 [0,1,0,1,0,0|2,0,0]=4 800 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 67301 [0,1,0,1,0,0|2,0,0]=4 801 B12R2.1286 BrC1=CC(OC2CC2)=CC=C1 AT13863 [0,1,0,1,0,0|2,0,0]=4 802 B12R2.2313 BrC1=CC(C2CCC2)=NC=C1 84228 [0,1,0,1,0,0|2,0,0]=4 803 B12R2.2313 BrC1=CC(C2CNC2)=CC=C1 85615 [0,1,0,1,0,0|0,0,0]=2 804 B12R2.2313 BrC1=CC([C@@H]2CCN2)=CC=C1 P19006 [0,1,0,1,0,0|2,0,0]=4 805 B12R2.2313 BrC1=CC([C@@H]2CCN2)=CC=C1 P19042 [0,1,0,1,0,0|2,0,0]=4 806 B12R2.2313 FC1=CC(C2CNC2)=CC=C1 85611 [0,1,0,1,0,0|0,0,0]=2 807 B12R2.2313 NC1=NC=CC(C2COC2)=C1 80903 [0,1,0,1,0,0|2,0,0]=4 808 B12R2.1 CO[C@H]1OCC2=C1C=CC=C2 T71210 [0,1,0,1,0,0|1,0,0]=3 809 B12R2.1 NC[C@H]1CNC2=C1C=CC=C2 31906 [0,1,0,1,0,0|2,0,0]=4 810 B12R2.1 OC[C@H]1CNC2=C1C=CC=C2 AB9481 [0,1,0,1,0,0|2,0,0]=4 811 B12R2.23 NC1CCC1C2=CC=CC=C2 84062 [0,1,0,1,0,0|1,0,0]=3 812 B12R2.23 O=C1CCN1C2=CC=CC=C2 W16382 [0,1,0,1,0,0|2,0,0]=4 813 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 84064 [0,1,0,1,0,0|1,0,1]=4 814 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 70487 [0,1,0,1,0,0|1,0,0]=3 815 B12R2.2058 C1=CC(OC2CNC2)=CN=C1 AB8082 [0,1,0,1,0,0|1,0,0]=3 816 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 A50762 [0,1,0,1,0,0|0,0,0]=2 817 B12R2.2058 C1=CC=C(NC2CCC2)C=C1 W12187 [0,1,0,1,0,0|1,0,0]=3 818 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 88509 [0,1,0,1,0,0|0,0,0]=2 819 B12R2.18 CC1=NC2=C(C=CC=C2)N1C T70720 [0,1,0,1,0,0|1,0,1]=4 820 B12R2.18 CC1NC2=C(C=CC=C2)C1C C74121 [0,1,0,1,0,0|2,0,0]=4 821 B12R2.18 CN1C(=O)CC2=C1C=NC=C2 P21083 [0,1,0,1,0,0|1,0,1]=4 822 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@H]1O C10104 [0,1,0,1,0,0|2,0,0]=4 823 B12R2.94 OC1(CC2=CC=CC=C2)CC1 W18583 [0,1,0,1,0,0|1,0,0]=3 824 B12R2.2403 C[C@]1(O)CCC2=C1C=CC=C2 72298 [0,1,0,1,0,0|1,0,0]=3 825 B12R2.2403 O=S1(=O)CCC2=C1C=CC=C2 W16179 [0,1,0,1,0,0|2,0,0]=4 826 B8R1.8 BrCCC1=CSC=C1 F20032 [1,0,0,0,1,0|2,0,0]=4 827 B8R1.8 CCCC1=NNC=C1 C16284 [1,0,0,0,1,0|2,0,0]=4 828 B8R1.8 CNCC1=CC=NO1 27030 [1,0,0,0,1,0|2,0,0]=4 829 B8R1.8 CNCC1=CNC=N1 AT15460 [1,0,0,0,1,0|2,0,0]=4 830 B8R1.8 CNCC1=COC=C1 AC5678 [1,0,0,0,1,0|1,0,0]=3 831 B8R1.8 CNCC1=NNC=C1 33350 [1,0,0,0,1,0|2,0,0]=4 832 B8R1.8 NCCC1=CC=CN1 31556 [1,0,0,0,1,0|1,0,0]=3 833 B8R1.8 NCCC1=CC=CN1 F10331 [1,0,0,0,1,0|1,0,0]=3 834 B8R1.8 NCCC1=CSC=C1 P10092 [1,0,0,0,1,0|1,0,0]=3 835 B8R1.8 NCCC1=NC=CN1 F18351 [1,0,0,0,1,0|2,0,0]=4 836 B8R1.8 NCCC1=NC=CS1 70863 [1,0,0,0,1,0|2,0,0]=4 837 B8R1.8 NCCC1=NNC=C1 AC1362 [1,0,0,0,1,0|2,0,0]=4 838 B8R1.8 NCCN1C=CC=N1 28356 [1,0,0,0,1,0|2,0,0]=4 839 B8R1.8 NCCN1C=CN=C1 30762 [1,0,0,0,1,0|2,0,0]=4 840 B8R1.8 OCCC1=CC=CN1 AB10351 [1,0,0,0,1,0|2,0,0]=4 841 B8R1.8 OCCC1=CC=CO1 W10532 [1,0,0,0,1,0|2,0,0]=4 842 B8R1.8 OCCC1=COC=C1 D93026 [1,0,0,0,1,0|2,0,0]=4