0 B11R1.12 CCB(CC)C1=CC=CN=C1 OR315000 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.12 CCN(CC)C1=CC=CC=C1 OR8987 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.12 COB(OC)C1=NC=CC=C1 OR4244 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.12 COC(OC)C1=CC=CC=C1 OR3467 [0,0,0,0,0,0|0,0,0]=0 4 B11R1.12 N#CC(C=O)C1=CC=CC=C1 OR29595 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.12 O=CC(C=O)C1=CC=CC=C1 OR7652 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.12 OCC(CO)C1=CC=CC=C1 OR52224 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.15 CC(CN)C1=CC=CC=C1 OR6734 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.15 CCC(Br)C1=CC=CC=C1 OR55292 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.15 CCC(O)C1=CC=CC=C1 OR10953 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.15 CC[C@H](N)C1=CC=CC=C1 OR52676 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.15 COC(=O)C1=CC=CC=C1 OR60124 [1,0,0,0,0,0|0,0,2]=3 12 B10R1.15 COC(=O)C1=CC=NC=C1 OR13188 [1,0,0,0,0,0|1,0,2]=4 13 B10R1.15 COC(=O)C1=NC=CC=C1 OR22699 [1,0,0,0,0,0|1,0,2]=4 14 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 OR3244 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.15 NC(CO)C1=CC=CC=C1 OR17907 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.15 NCC(O)C1=CC=CC=C1 OR52511 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.15 NCC(O)C1=CC=CC=C1 OR9824 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.15 NCC(O)C1=CC=NC=C1 OR12819 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.15 NCC(O)C1=CN=CC=C1 OR12818 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.15 NCC(O)C1=NC=CC=C1 OR12817 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.15 NCC(O)C1=NC=CC=C1 OR60079 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 OR3013 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.15 NC[C@H](O)C1=CC=CC=C1 OR3011 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 OR19518 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.15 N[C@H](CO)C1=CC=CC=C1 OR8743 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 OR3005 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.15 OC[C@H](O)C1=CC=CC=C1 OR3006 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.15 O[C@H](CCl)C1=CC=CC=C1 OR55062 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.15 [C@H](N)(CO)C1=CC=CC=C1 OR8742 [1,0,0,0,0,0|3,0,0]=4 30 B12R1.12 CCN(CC)C1=CC=C(C)C=C1 OR5841 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.12 CCN(CC)C1=CC=C(Cl)C=C1 OR17923 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.12 COC(OC)C1=CC=C(Br)C=C1 OR70059 [0,1,0,0,0,0|0,0,0]=1 33 B12R1.13 COC(OC)C1=NC(C)=NC=C1 OR29743 [0,1,0,0,0,0|2,0,0]=3 34 B12R1.478 CC(C)C(C#N)C1=CC=CC=C1 OR28298 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.478 CCC(C(=O)Cl)C1=CC=CC=C1 OR2354 [0,1,0,0,0,0|3,0,0]=4 36 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 OR2352 [0,1,0,0,0,0|3,0,0]=4 37 B12R1.478 CC[C@@H](C(=O)O)C1=CC=CC=C1 OR304087 [0,1,0,0,0,0|3,0,0]=4 38 B12R1.478 CC[C@H](C(=O)O)C1=CC=CC=C1 OR304088 [0,1,0,0,0,0|3,0,0]=4 39 B12R1.478 CN(C)C(CN)C1=CC=CC=C1 OR12689 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.478 CN[C@H](C(=O)O)C1=CC=CC=C1 OR18844 [0,1,0,0,0,0|3,0,0]=4 41 B12R1.478 COC(C(=O)O)C1=CC=CC=C1 OR13894 [0,1,0,0,0,0|2,0,0]=3 42 B12R1.478 CO[C@H](C(=O)O)C1=CC=CC=C1 OR52197 [0,1,0,0,0,0|2,0,0]=3 43 B12R2.1 CCC1C=CC2=CC=CC=C21 OR55065 [0,0,0,1,0,0|2,0,1]=4 44 B12R2.2 C1=CC(C2CCCN2)=CC=N1 OR12517 [0,0,0,1,0,0|3,0,0]=4 45 B12R2.2 C1=CC(C2CCCN2)=CN=C1 OR12516 [0,0,0,1,0,0|3,0,0]=4 46 B12R2.2 C1=CC=C(C2CCCN2)C=C1 OR12503 [0,0,0,1,0,0|2,0,0]=3 47 B12R2.2 C1=CC=C(C2CCNC2)C=C1 OR12549 [0,0,0,1,0,0|3,0,0]=4 48 B12R2.2 C1=CC=C(C2CCNC2)C=C1 OR16975 [0,0,0,1,0,0|3,0,0]=4 49 B12R2.2 C1=CC=C(C2NCCS2)C=C1 OR14076 [0,0,0,1,0,0|1,1,0]=3 50 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 OR321342 [0,0,0,1,0,0|2,0,0]=3 51 B12R2.2 C1=CN=C(C2CCCN2)C=C1 OR12515 [0,0,0,1,0,0|3,0,0]=4 52 B12R2.48 N#CC1(C2=CC=CC=C2)CC1 OR24926 [0,0,0,1,0,0|3,0,0]=4 53 B12R2.48 OCC1(C2=CC=CC=C2)CC1 OR54390 [0,0,0,1,0,0|3,0,0]=4 54 B10R1.9 COC(OC)C1=NNC=C1 OR27386 [0,0,0,0,1,0|2,0,0]=3 55 B9R1.6 CC(Br)C1=CC=CC=C1 OR315258 [2,0,0,0,0,0|1,0,0]=3 56 B9R1.6 CC(Br)C1=CC=CN=C1 OR46058 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.6 CC(Cl)C1=CC=CC=C1 OR9525 [2,0,0,0,0,0|1,0,0]=3 58 B9R1.6 CC(N)C1=CC=NC=C1 OR01563 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.6 CC(N)C1=CN=CC=C1 OR01562 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.6 CC(N)C1=NC=CC=C1 OR01560 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.6 CC(O)C1=CC=CC=N1 OR01623 [2,0,0,0,0,0|1,0,0]=3 62 B9R1.6 CC(O)C1=CC=CN=C1 OR01622 [2,0,0,0,0,0|1,0,0]=3 63 B9R1.6 CC(O)C1=CC=NC=C1 OR01620 [2,0,0,0,0,0|1,0,0]=3 64 B9R1.6 CN(C)C1=CC=CC=C1 OR61405 [2,0,0,0,0,0|1,0,0]=3 65 B9R1.6 CN(C)C1=CC=NC=C1 OR28827 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.6 CN(C)C1=NC=CC=C1 OR13607 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.6 CN(N)C1=CC=CC=C1 OR55581 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.6 CS(=O)C1=CC=CC=C1 OR30635 [2,0,0,0,0,0|1,0,1]=4 69 B9R1.6 C[C@@H](N)C1=CC=CC=C1 OR5862 [2,0,0,0,0,0|1,0,0]=3 70 B9R1.6 C[C@@H](N)C1=NC=CC=C1 OR70108 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.6 C[C@@H](O)C1=CC=CC=C1 OR315316 [2,0,0,0,0,0|0,0,0]=2 72 B9R1.6 C[C@H](N)C1=CC=CC=C1 OR28829 [2,0,0,0,0,0|1,0,0]=3 73 B9R1.6 C[C@H](N)C1=NC=CC=C1 OR46602 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.6 O=C(O)C1=CC=CC=C1 OR9594 [2,0,0,0,0,0|0,0,2]=4 75 B9R1.6 OB(O)C1=CC=CC=C1 OR2447 [2,0,0,0,0,0|1,0,0]=3 76 B9R1.6 OB(O)C1=CC=CN=C1 OR4119 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.6 OB(O)C1=CC=NC=C1 OR0727 [2,0,0,0,0,0|2,0,0]=4 78 B9R1.6 OB(O)C1=CC=NC=C1 OR14161 [2,0,0,0,0,0|2,0,0]=4 79 B9R1.8 BrCCC1=CC=CC=C1 OR46084 [2,0,0,0,0,0|2,0,0]=4 80 B9R1.8 Br[Mg]CC1=CC=CC=C1 OR320066 [2,0,0,0,0,0|2,0,0]=4 81 B9R1.8 Br[Mg]CC1=CC=CC=C1 OR320067 [2,0,0,0,0,0|2,0,0]=4 82 B9R1.8 CCCC1=CC=NC=C1 OR13622 [2,0,0,0,0,0|2,0,0]=4 83 B9R1.8 CCNC1=CC=CC=C1 OR8988 [2,0,0,0,0,0|2,0,0]=4 84 B9R1.8 CNCC1=CC=CC=C1 OR12500 [2,0,0,0,0,0|1,0,0]=3 85 B9R1.8 CNCC1=CC=CN=C1 OR30155 [2,0,0,0,0,0|2,0,0]=4 86 B9R1.8 CNCC1=CC=NC=C1 OR12591 [2,0,0,0,0,0|2,0,0]=4 87 B9R1.8 CNCC1=CC=NC=C1 OR318010 [2,0,0,0,0,0|2,0,0]=4 88 B9R1.8 CNCC1=NC=CC=C1 OR12501 [2,0,0,0,0,0|2,0,0]=4 89 B9R1.8 CNCC1=NC=CC=C1 OR51995 [2,0,0,0,0,0|2,0,0]=4 90 B9R1.8 COCC1=NC=CC=C1 OR13609 [2,0,0,0,0,0|1,0,0]=3 91 B9R1.8 Cl[Mg]CC1=CC=CC=C1 OR320070 [2,0,0,0,0,0|2,0,0]=4 92 B9R1.8 N#CCC1=CC=CC=C1 OR5457 [2,0,0,0,0,0|2,0,0]=4 93 B9R1.8 NNCC1=CC=CC=C1 OR5636 [2,0,0,0,0,0|2,0,0]=4 94 B9R1.8 NOCC1=CC=CC=C1 OR15742 [2,0,0,0,0,0|1,0,0]=3 95 B9R1.8 NOCC1=CC=CC=C1 OR30224 [2,0,0,0,0,0|1,0,0]=3 96 B9R1.8 ONCC1=CC=CC=C1 OR51891 [2,0,0,0,0,0|2,0,0]=4 97 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 OR29220 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.7 CC(C)(CN)C1=CC=CC=C1 OR16558 [1,1,0,0,0,0|2,0,0]=4 99 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 OR5306 [1,1,0,0,0,0|1,0,1]=4 100 B11R1.16 CC(N=C=S)C1=CC=CC=C1 OR28863 [1,1,0,0,0,0|1,0,1]=4 101 B11R1.16 COC[C@H](N)C1=CC=CC=C1 OR316004 [1,1,0,0,0,0|1,0,0]=3 102 B11R1.16 N#CCC(O)C1=CC=CC=C1 OR2846 [1,1,0,0,0,0|1,0,1]=4 103 B11R1.16 NC(CCO)C1=CC=CC=C1 OR43504 [1,1,0,0,0,0|2,0,0]=4 104 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 OR24573 [1,1,0,0,0,0|1,0,0]=3 105 B11R1.22 CC(C#N)C1=CC=C(N)C=C1 OR14806 [1,1,0,0,0,0|2,0,0]=4 106 B11R1.22 COC(=N)C1=CC=C(Br)C=C1 OR70186 [1,1,0,0,0,0|1,0,1]=4 107 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 OR110414 [1,1,0,0,0,0|0,0,2]=4 108 B11R1.22 COC(=O)C1=CC=C(C)C=C1 OR52042 [1,1,0,0,0,0|0,0,2]=4 109 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 OR30145 [1,1,0,0,0,0|0,0,2]=4 110 B11R1.22 COC(=O)C1=CC=C(I)C=C1 OR350215 [1,1,0,0,0,0|0,0,2]=4 111 B11R1.22 COC(=O)C1=CC=C(N)C=C1 OR55419 [1,1,0,0,0,0|0,0,2]=4 112 B11R1.22 NCC(O)C1=CC=C(Br)C=C1 OR15300 [1,1,0,0,0,0|2,0,0]=4 113 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 OR9825 [1,1,0,0,0,0|2,0,0]=4 114 B11R1.23 COC(=O)C1=CC(Cl)=CC=C1 OR8843 [1,1,0,0,0,0|0,0,2]=4 115 B11R1.23 COC(=O)C1=CC(I)=CC=C1 OR55063 [1,1,0,0,0,0|0,0,2]=4 116 B11R1.23 COC(=O)C1=CC(N)=CC=C1 OR30089 [1,1,0,0,0,0|0,0,2]=4 117 B11R1.23 COC(=O)C1=CC(O)=CC=C1 OR5305 [1,1,0,0,0,0|0,0,2]=4 118 B11R1.23 COC(=O)C1=CC=CC(Br)=C1 OR2197 [1,1,0,0,0,0|0,0,2]=4 119 B11R1.23 COC(=O)C1=CC=CC(C)=C1 OR30098 [1,1,0,0,0,0|0,0,2]=4 120 B11R1.36 CC(=O)C(O)C1=CC=CC=C1 OR470879 [1,1,0,0,0,0|1,0,0]=3 121 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 OR2976 [1,1,0,0,0,0|2,0,0]=4 122 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 OR5460 [1,1,0,0,0,0|2,0,0]=4 123 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 OR18332 [1,1,0,0,0,0|2,0,0]=4 124 B11R1.222 COC(=O)C1=C(C)C=CC=C1 OR5438 [1,1,0,0,0,0|0,0,2]=4 125 B11R1.222 COC(=O)C1=C(Cl)C=CC=C1 OR4068 [1,1,0,0,0,0|0,0,2]=4 126 B11R1.222 COC(=O)C1=C(I)C=CC=C1 OR23611 [1,1,0,0,0,0|0,0,2]=4 127 B11R1.222 COC(=O)C1=CC=CC=C1Br OR26843 [1,1,0,0,0,0|0,0,2]=4 128 B11R1.222 NCC(O)C1=C(Cl)C=CC=C1 OR12960 [1,1,0,0,0,0|2,0,0]=4 129 B11R1.297 COC(C)(OC)C1=CC=NN1 OR2999 [0,1,0,0,1,0|2,0,0]=4 130 B13R1.321 COC(OC)C1=CC(O)=NC(S)=N1 OR0091 [0,2,0,0,0,0|2,0,0]=4 131 B11R2.1 CC1C=CC2=CC=CC=C21 OR52581 [1,0,0,1,0,0|1,0,1]=4 132 B11R2.1 CN1CCC2=CC=CC=C21 OR346348 [1,0,0,1,0,0|2,0,0]=4 133 B11R2.1 NC1CCC2=C1C=CC=C2 OR11114 [1,0,0,1,0,0|2,0,0]=4 134 B11R2.1 NC1CCC2=CC=CC=C21 OR3610 [1,0,0,1,0,0|2,0,0]=4 135 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 OR46214 [1,0,0,1,0,0|2,0,0]=4 136 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 OR30437 [1,0,0,1,0,0|2,0,0]=4 137 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 OR30654 [1,0,0,1,0,0|2,0,0]=4 138 B11R2.1 OB1OCC2=CC=CC=C12 OR10502 [1,0,0,1,0,0|1,0,0]=3 139 B11R2.1 OC1CCC2=C1C=CC=C2 OR6504 [1,0,0,1,0,0|1,0,0]=3 140 B11R2.4 CC1NC1C2=CC=CC=C2 OR340189 [1,0,0,1,0,0|2,0,0]=4 141 B11R2.4 NC1CC1C2=CC=CC=C2 OR944624 [1,0,0,1,0,0|2,0,0]=4 142 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 OR16696 [1,0,0,1,0,0|2,0,0]=4 143 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 OR310537 [1,0,0,1,0,0|2,0,0]=4 144 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 OR53161 [1,0,0,1,0,0|2,0,0]=4 145 B11R2.40 NC1(C2=CC=CC=C2)CC1 OR302455 [1,0,0,1,0,0|2,0,0]=4 146 B11R2.40 NC1(C2=CC=CC=C2)CC1 OR60203 [1,0,0,1,0,0|2,0,0]=4 147 B13R2.64 C1=CC=C(CC2CCCN2)C=C1 OR12512 [0,0,0,1,0,1|2,0,0]=4 148 B13R2.3 C1=CC=C(C2CCCCC2)C=C1 OR2340 [0,1,0,1,0,0|2,0,0]=4 149 B13R2.3 C1=CC=C(C2CCCCN2)C=C1 OR0819 [0,1,0,1,0,0|2,0,0]=4 150 B13R2.3 C1=CC=C(C2CCCCN2)C=C1 OR13007 [0,1,0,1,0,0|2,0,0]=4 151 B13R2.3 C1=CC=C(C2CCCNC2)C=C1 OR0894 [0,1,0,1,0,0|2,0,0]=4 152 B13R2.3 C1=CC=C(C2CCCNC2)C=C1 OR43508 [0,1,0,1,0,0|2,0,0]=4 153 B13R2.3 C1=CC=C(C2CCNCC2)C=C1 OR4179 [0,1,0,1,0,0|2,0,0]=4 154 B13R2.3 C1=CC=C(C2CNCCN2)C=C1 OR0220 [0,1,0,1,0,0|2,0,0]=4 155 B13R2.3 C1=CC=C(C2CNCCN2)C=C1 OR12883 [0,1,0,1,0,0|2,0,0]=4 156 B13R2.3 C1=CC=C(C2CNCCO2)C=C1 OR12786 [0,1,0,1,0,0|1,0,0]=3 157 B13R2.3 C1=CC=C(C2CNCCS2)C=C1 OR12774 [0,1,0,1,0,0|1,1,0]=4 158 B13R2.3 C1=CC=C(C2COCCN2)C=C1 OR12850 [0,1,0,1,0,0|1,0,0]=3 159 B13R2.3 C1=CC=C(C2CSCCN2)C=C1 OR12780 [0,1,0,1,0,0|1,1,0]=4 160 B13R2.3 C1=CC=C([C@@H]2CCCCN2)C=C1 OR321201 [0,1,0,1,0,0|2,0,0]=4 161 B13R2.3 C1=CC=C([C@H]2CCCCN2)C=C1 OR321200 [0,1,0,1,0,0|2,0,0]=4 162 B13R2.3 C1=CN=CC(B2OCCCO2)=C1 OR7260 [0,1,0,1,0,0|2,0,0]=4 163 B13R2.3 C1=CN=CC(C2COCCN2)=C1 OR12858 [0,1,0,1,0,0|2,0,0]=4 164 B13R2.2539 BrCC1(C2=CC=CC=C2)COC1 OR312159 [0,1,0,1,0,0|2,0,0]=4 165 B13R2.12 BrC1=CC=C(C2CCCN2)C=C1 OR313026 [0,1,0,1,0,0|2,0,0]=4 166 B13R2.12 BrC1=CC=C(C2OCCO2)C=C1 OR10837 [0,1,0,1,0,0|0,0,0]=2 167 B13R2.12 ClC1=CC=C(C2CCCN2)C=C1 OR12505 [0,1,0,1,0,0|2,0,0]=4 168 B13R2.12 NC1=CC=C(C2OCCO2)C=C1 OR111317 [0,1,0,1,0,0|0,0,0]=2 169 B13R2.13 BrC1=CC=CC(C2OCCO2)=C1 OR30032 [0,1,0,1,0,0|0,0,0]=2 170 B13R2.18 BrC1=CC=CC=C1C2OCCO2 OR4329 [0,1,0,1,0,0|0,0,0]=2 171 B13R2.18 CC1=CC=CC=C1C2CCCN2 OR12510 [0,1,0,1,0,0|2,0,0]=4 172 B13R2.18 ClC1=CC=CC=C1C2CCCN2 OR12509 [0,1,0,1,0,0|2,0,0]=4 173 B11R1.40 CC(CN)OC1=CC=CC=C1 OR12728 [1,0,0,0,0,1|2,0,0]=4 174 B11R1.40 NCC(O)CC1=CC=CC=C1 OR12967 [1,0,0,0,0,1|2,0,0]=4