0 B10R1.17 ICCCC1=CN=CC=C1 E70092 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.17 NCCCC1=CN=CN=C1 F52410 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.8 CCNC1=CN=NC=C1 D86255 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.8 CCOC1=CN=CC=C1 F31361 [1,0,0,0,0,0|1,0,0]=2 4 B9R1.8 CNCC1=CN=NC=C1 P12145 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.8 ClCCC1=CN=CC=C1 D87792 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.8 I\C=C/C1=CC=CC=C1 AT23642 [1,0,0,0,0,0|1,0,2]=4 7 B9R1.8 OCCC1=NC=NC=C1 20262 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.8 SCCC1=CN=CC=C1 F18092 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.1 C#CCCC1=CC=C(Cl)C=C1 D75651 [0,1,0,0,0,0|1,0,2]=4 10 B11R1.16 NCCC(=O)C1=CC=CC=C1 AC9010 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.16 NCCC(=O)C1=CC=CC=C1 D76552 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.16 OCC[C@H](O)C1=CC=NC=C1 D76515 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.17 OCCCC1=C(O)C=CN=C1 D74335 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.24 C#CCCC1=CC=CC(Cl)=C1 D75653 [0,1,0,0,0,0|1,0,2]=4 15 B11R1.24 COCOC1=CC=CC(Br)=C1 C11085 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.28 NOCCNC1=CC=CC=C1 AT21708 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.28 O=CCCCC1=CC=NC=C1 P16930 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.28 OCCCNC1=NC=CC=C1 D86278 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.40 CNC(=O)NC1=CC=CC=C1 D77088 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.40 COC(=N)CC1=CC=CC=C1 C10559 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.40 N#C[C@@H](N)CC1=CC=CC=C1 D76472 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.40 N[C@H](CF)CC1=CC=CC=C1 AC6790 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.40 N[C@H](CF)CC1=CC=CC=C1 AC6791 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.91 C[C@H](O)CCC1=CC=NC=C1 AT24513 [0,1,0,0,0,0|2,0,0]=3 25 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E73009 [0,0,0,1,0,0|1,0,0]=2 26 B11R2.1 C[C@H]1CNC2=NC=CC=C21 93644 [0,0,0,1,0,0|3,0,0]=4 27 B11R2.1 NC1=C2C=CC=CC2=NO1 AC2203 [0,0,0,1,0,0|2,0,1]=4 28 B11R2.1 N[C@H]1CCC2=NC=CC=C21 C15938 [0,0,0,1,0,0|3,0,0]=4 29 B11R2.1 N[C@H]1COC2=C1C=CC=C2 F16957 [0,0,0,1,0,0|3,0,0]=4 30 B11R2.1 OB1OCC2=C1C=NC=C2 AT12854 [0,0,0,1,0,0|3,0,0]=4 31 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 P15599 [0,0,0,1,0,0|2,0,0]=3 32 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P19381 [0,0,0,1,0,0|2,0,0]=3 33 B11R2.20 C1=CC2=C(C=N1)COCC2 AT22006 [0,0,0,1,0,0|1,0,0]=2 34 B11R2.20 C1=CC2=C(C=N1)NCCC2 AT25892 [0,0,0,1,0,0|3,0,0]=4 35 B11R2.20 C1=CC2=C(CCCO2)N=C1 85303 [0,0,0,1,0,0|3,0,0]=4 36 B11R2.20 C1=CN=C2CNCCC2=N1 S11512 [0,0,0,1,0,0|3,0,0]=4 37 B11R2.20 C1=CN=C2COCCC2=C1 AT22005 [0,0,0,1,0,0|1,0,0]=2 38 B11R2.239 C1=CN=CC(C2CNC2)=C1 AT10105 [0,0,0,1,0,0|3,0,0]=4 39 B11R2.239 C1=NC=C([C@@H]2CCN2)C=N1 AT22958 [0,0,0,1,0,0|3,0,0]=4 40 B11R2.239 C1=NC=C([C@@H]2CCN2)C=N1 AT22959 [0,0,0,1,0,0|3,0,0]=4 41 B11R2.239 C1=NC=C([C@@H]2CCN2)C=N1 AT22963 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.2 CCC1=NC=CC=N1 D86044 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.2 C[13CH2]C1=CC=CC=C1 D98792 [2,0,0,0,0,0|0,0,0]=2 44 B10R1.1 C#CCC1=CC=C(Cl)C=C1 D75642 [1,1,0,0,0,0|0,0,2]=4 45 B10R1.1 NCCC1=CNC(=O)C=C1 FD7157 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.4 CNCC1=C(Br)C=NC=C1 AT26684 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.4 COCC1=NC=CN=C1Cl N13228 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.4 OCCC1=C(Br)C=NC=C1 AT12936 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.4 OCCC1=C(Br)C=NC=C1 D77127 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.10 C#CCC1=CC=CC(Cl)=C1 D75648 [1,1,0,0,0,0|0,0,2]=4 51 B10R1.10 CCNC1=CC=CC(Br)=N1 D77162 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.10 COCC1=NC=CC(N)=C1 P20443 [1,1,0,0,0,0|1,0,0]=3 53 B10R1.10 NC1=CC(CCO)=NC=C1 AC2677 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.10 NC1=NC=CC(CCO)=C1 AT18203 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.10 NCCC1=CC(=O)NC=C1 C73270 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.15 C#C[C@@H](C)C1=CC=CC=C1 C12342 [1,1,0,0,0,0|0,0,2]=4 57 B10R1.15 CC[C@H](N)C1=NC=CC=N1 C90664 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.15 CN[C@@H](C)C1=CC=NC=C1 AT18142 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.15 C[C@@H](CO)C1=NC=CC=C1 AT23842 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.15 C[C@H](ON)C1=CC=CC=C1 D74249 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.15 NC[C@H](F)C1=CC=CC=C1 E72838 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 72623 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 AC4819 [1,1,0,0,0,0|1,0,0]=3 64 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 W11733 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 W11734 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 N14219 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.18 CC(C)NC1=NC=CC=C1 D86001 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.18 O=C(O)CC1=CC=CC=C1 AT24078 [1,1,0,0,0,0|1,0,1]=4 69 B12R1.69 CCOCC1=C(N)N=C(C)N=C1 D74667 [0,2,0,0,0,0|2,0,0]=4 70 B12R1.17 COC[C@H](N)C1=CC=CC(Cl)=C1 E72746 [0,2,0,0,0,0|2,0,0]=4 71 B12R1.17 COC[C@H](N)C1=CC=CC(Cl)=C1 Y14847 [0,2,0,0,0,0|2,0,0]=4 72 B12R1.17 COC[C@H](N)C1=CC=CC(F)=C1 Y14848 [0,2,0,0,0,0|2,0,0]=4 73 B12R1.17 OCC[C@H](O)C1=CC=CC(Br)=C1 AT23931 [0,2,0,0,0,0|2,0,0]=4 74 B12R1.308 COC[C@H](N)C1=C(F)C=CC=C1 Y14845 [0,2,0,0,0,0|2,0,0]=4 75 B12R1.308 OCC[C@H](O)C1=C(Br)C=CC=C1 AT23930 [0,2,0,0,0,0|2,0,0]=4 76 B12R1.28 CC1=CC=CC(OCCCN)=C1 AC7555 [0,2,0,0,0,0|2,0,0]=4 77 B12R1.50 O=C(CBr)CC1=CC=CC(Br)=C1 78583 [0,2,0,0,0,0|2,0,0]=4 78 B12R1.8 C#CCNCCC1=CC=CC=C1 D75664 [0,2,0,0,0,0|1,0,1]=4 79 B12R1.8 OCCC\C=C\C1=CC=CC=C1 D73916 [0,2,0,0,0,0|1,0,1]=4 80 B12R1.27 C[C@@H](CN)OCC1=CC=CC=C1 AT22581 [0,2,0,0,0,0|0,0,0]=2 81 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 F31051 [0,2,0,0,0,0|0,0,0]=2 82 B12R1.27 NC[C@@H](F)CCC1=CC=CC=C1 D76606 [0,2,0,0,0,0|1,0,0]=3 83 B12R1.32 NCC[C@H](F)CC1=CC=CC=C1 D76607 [0,2,0,0,0,0|1,0,0]=3 84 B12R1.252 C[C@H](N)COCC1=CC=CC=C1 75113 [0,2,0,0,0,0|0,0,0]=2 85 B12R1.252 C[C@H](O)CCCC1=CC=NC=C1 AT26625 [0,2,0,0,0,0|2,0,0]=4 86 B12R1.891 [2H]C([2H])([2H])NCC1=CC=CC=C1 D99269 [0,2,0,0,0,0|2,0,0]=4 87 B10R2.6 C1=CC=C(C2CC2)C=C1 W16080 [1,0,0,1,0,0|0,0,0]=2 88 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 89380 [1,0,0,1,0,0|1,0,0]=3 89 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 89381 [1,0,0,1,0,0|1,0,0]=3 90 B10R2.7 C1=CC2=C(C=N1)CCO2 D75261 [1,0,0,1,0,0|1,0,0]=3 91 B12R2.24 BrC1=NC=C2CCCCC2=C1 AC9089 [0,1,0,1,0,0|2,0,0]=4 92 B12R2.24 CC1=CC=C2CCNCC2=N1 F18601 [0,1,0,1,0,0|2,0,0]=4 93 B12R2.24 ClC1=CN=C2CCNCC2=C1 83105 [0,1,0,1,0,0|2,0,0]=4 94 B12R2.24 ClC1=NC2=C(C=C1)CCNC2 D76544 [0,1,0,1,0,0|2,0,0]=4 95 B12R2.24 ClC1=NC2=C(C=C1)CCNC2 F53702 [0,1,0,1,0,0|2,0,0]=4 96 B12R2.24 ClC1=NC2=C(C=C1)CCOC2 AT13311 [0,1,0,1,0,0|1,0,0]=3 97 B12R2.24 ClC1=NC=C2CNCCC2=C1 F13900 [0,1,0,1,0,0|2,0,0]=4 98 B12R2.24 NC1=CC2=C(C=C1)COCC2 W16156 [0,1,0,1,0,0|0,0,0]=2 99 B12R2.24 N[C@@H]1CNC2=C(C=CC=C2)C1 71293 [0,1,0,1,0,0|2,0,0]=4 100 B12R2.24 N[C@H]1CCC2=CC=CN=C2C1 C14593 [0,1,0,1,0,0|2,0,0]=4 101 B12R2.24 O=C1C=C2CCNCC2=CN1 E70186 [0,1,0,1,0,0|2,0,0]=4 102 B12R2.24 OC1=NC=C2CNCCC2=C1 F53055 [0,1,0,1,0,0|2,0,0]=4 103 B12R2.79 OC1CC1C2=CC=C(Br)C=C2 AT25165 [0,1,0,1,0,0|2,0,0]=4 104 B12R2.132 CC1=CC2=C(C=C1)COB2O D75435 [0,1,0,1,0,0|2,0,0]=4 105 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 I10856 [0,1,0,1,0,0|2,0,0]=4 106 B12R2.132 OB1OCC2=C1C=C(S)C=C2 D74054 [0,1,0,1,0,0|2,0,0]=4 107 B12R2.2302 BrC1=CC=C([C@@H]2CCN2)C=C1 F53752 [0,1,0,1,0,0|1,0,0]=3 108 B12R2.2302 BrC1=NC=C(C2CCC2)C=C1 D76681 [0,1,0,1,0,0|2,0,0]=4 109 B12R2.2302 CC1=CC=C(C2CCC2)C=C1 F53454 [0,1,0,1,0,0|1,0,0]=3 110 B12R2.2302 IC1=CC=C(C2COC2)C=C1 AT17229 [0,1,0,1,0,0|2,0,0]=4 111 B12R2.2302 NC1=CC=C(C2CCC2)C=C1 D85595 [0,1,0,1,0,0|1,0,0]=3 112 B12R2.2302 NC1=CC=C([C@@H]2CCO2)C=C1 AT23927 [0,1,0,1,0,0|0,0,0]=2 113 B12R2.2302 OC1=CC=C(C2CNC2)C=C1 D75514 [0,1,0,1,0,0|2,0,0]=4 114 B12R2.2302 OC1=CC=C(C2COC2)C=C1 88186 [0,1,0,1,0,0|2,0,0]=4 115 B12R2.2 C1=CC=C([C@@H]2CCON2)C=C1 E71447 [0,1,0,1,0,0|0,0,0]=2 116 B12R2.22 Br[C@H]1C[C@@H](C2=CC=CC=C2)C1 AT21926 [0,1,0,1,0,0|1,0,0]=3 117 B12R2.22 Br[C@H]1C[C@H](C2=CC=CC=C2)C1 AT21928 [0,1,0,1,0,0|1,0,0]=3 118 B12R2.22 NC1CC(C2=CC=NC=C2)C1 F53676 [0,1,0,1,0,0|2,0,0]=4 119 B12R2.116 CC1(C2=CC=CC=C2)CNC1 AT12548 [0,1,0,1,0,0|2,0,0]=4 120 B12R2.116 NC1(C2=NC=CC=C2)CCC1 F53817 [0,1,0,1,0,0|2,0,0]=4 121 B12R2.235 NC1CC1(F)C2=CC=CC=C2 AT23658 [0,1,0,1,0,0|2,0,0]=4 122 B12R2.235 N[C@@H]1C[C@@]1(F)C2=CC=CC=C2 AT23672 [0,1,0,1,0,0|2,0,0]=4 123 B12R2.235 N[C@H]1C[C@@]1(F)C2=CC=CC=C2 AT23673 [0,1,0,1,0,0|2,0,0]=4 124 B12R2.1081 BrC1=C2CCNCC2=CN=C1 F53720 [0,1,0,1,0,0|2,0,0]=4 125 B12R2.1081 BrC1=C2CNCCC2=CN=C1 P16622 [0,1,0,1,0,0|2,0,0]=4 126 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 W16102 [0,1,0,1,0,0|1,0,0]=3 127 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 W16103 [0,1,0,1,0,0|1,0,0]=3 128 B12R2.1081 ClC1=C2CCNCC2=NC=C1 D76679 [0,1,0,1,0,0|2,0,0]=4 129 B12R2.1081 Cl[C@H]1CCCC2=C1C=CC=N2 P16789 [0,1,0,1,0,0|2,0,0]=4 130 B12R2.1081 Cl[C@H]1CCCC2=C1C=CN=C2 D76416 [0,1,0,1,0,0|2,0,0]=4 131 B12R2.1081 NC1=C2COCCC2=CC=C1 98368 [0,1,0,1,0,0|0,0,0]=2 132 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 22993 [0,1,0,1,0,0|2,0,0]=4 133 B12R2.1081 O=C1COCC2=C1C=CN=C2 P20308 [0,1,0,1,0,0|1,0,1]=4 134 B12R2.1081 OB1OCCC2=C1C=NC=C2 AT12937 [0,1,0,1,0,0|2,0,0]=4 135 B12R2.1081 O[C@H]1CNCC2=C1C=CC=N2 97788 [0,1,0,1,0,0|2,0,0]=4 136 B12R2.196 CC1=CC=CC2=C1COB2O D73937 [0,1,0,1,0,0|2,0,0]=4 137 B12R2.517 BrC1=C(C2CCC2)N=CC=C1 AT26728 [0,1,0,1,0,0|2,0,0]=4 138 B12R2.517 BrC1=C([C@@H]2CCO2)C=CC=C1 AT23933 [0,1,0,1,0,0|0,0,0]=2 139 B12R2.517 FC1=C([C@@H]2CCN2)C=CC=C1 AT25420 [0,1,0,1,0,0|1,0,0]=3 140 B12R2.80 OC1CC1C2=CC=CC(Br)=C2 AT25163 [0,1,0,1,0,0|2,0,0]=4 141 B12R2.203 CC1=CC=CC2=C1B(O)OC2 D73936 [0,1,0,1,0,0|2,0,0]=4 142 B12R2.203 N[C@H]1CCC2=CC=CC(Cl)=C21 28300 [0,1,0,1,0,0|2,0,0]=4 143 B12R2.203 OB1OCC2=CC=CC(F)=C12 D75434 [0,1,0,1,0,0|2,0,0]=4 144 B12R2.612 CC1=CC2=C(C=C1)B(O)OC2 D73935 [0,1,0,1,0,0|2,0,0]=4 145 B12R2.612 C[C@@H]1NCC2=C1C=CC(Br)=C2 C90683 [0,1,0,1,0,0|1,0,0]=3 146 B12R2.612 C[C@@H]1NCC2=C1C=CC(Br)=C2 F13796 [0,1,0,1,0,0|1,0,0]=3 147 B12R2.1286 BrC1=CC(NC2CC2)=CC=C1 AT17108 [0,1,0,1,0,0|2,0,0]=4 148 B12R2.1286 FC1=CC(OC2CC2)=CC=C1 D74663 [0,1,0,1,0,0|2,0,0]=4 149 B12R2.2313 BrC1=CC(C2CNC2)=CC=C1 P11112 [0,1,0,1,0,0|2,0,0]=4 150 B12R2.2313 BrC1=CC([C@@H]2CCO2)=CC=C1 AT23934 [0,1,0,1,0,0|0,0,0]=2 151 B12R2.2313 ClC1=CC(C2CNC2)=CC=C1 AT15510 [0,1,0,1,0,0|2,0,0]=4 152 B12R2.2313 ClC1=CC(C2CNC2)=CC=C1 AT15561 [0,1,0,1,0,0|2,0,0]=4 153 B12R2.2313 FC1=CC([C@@H]2CCN2)=CC=C1 AT25421 [0,1,0,1,0,0|1,0,0]=3 154 B12R2.2313 NC1=NC(C2CCC2)=CC=C1 AT24916 [0,1,0,1,0,0|2,0,0]=4 155 B12R2.1 C#C[C@H]1CCC2=C1C=CC=C2 C11457 [0,1,0,1,0,0|1,0,1]=4 156 B12R2.1 CN[C@H]1CCC2=C1C=CC=C2 AT22268 [0,1,0,1,0,0|1,0,0]=3 157 B12R2.1 CN[C@H]1CCC2=C1C=CC=C2 AT22269 [0,1,0,1,0,0|1,0,0]=3 158 B12R2.1 OC[C@H]1COC2=C1C=CC=C2 86172 [0,1,0,1,0,0|2,0,0]=4 159 B12R2.1 OC[C@H]1COC2=C1C=CC=C2 AT24013 [0,1,0,1,0,0|2,0,0]=4 160 B12R2.1 OC[C@H]1COC2=C1C=CC=C2 AT24014 [0,1,0,1,0,0|2,0,0]=4 161 B12R2.23 OC1CCC1C2=CC=CC=C2 84063 [0,1,0,1,0,0|1,0,0]=3 162 B12R2.23 O[C@@H]1CO[C@@H]1C2=CC=CC=C2 E73295 [0,1,0,1,0,0|0,0,0]=2 163 B12R2.23 O[C@H]1CO[C@@H]1C2=CC=CC=C2 E73297 [0,1,0,1,0,0|0,0,0]=2 164 B12R2.2058 C1=CC(CC2CNC2)=CC=N1 E72899 [0,1,0,1,0,0|2,0,0]=4 165 B12R2.2058 C1=CC(NC2CCC2)=CC=N1 D74722 [0,1,0,1,0,0|2,0,0]=4 166 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 P15109 [0,1,0,1,0,0|1,0,0]=3 167 B12R2.2058 C1=CN=C(NC2CCC2)C=C1 D74717 [0,1,0,1,0,0|2,0,0]=4 168 B12R2.2058 C1=CN=CC(CC2CNC2)=C1 D74724 [0,1,0,1,0,0|2,0,0]=4 169 B12R2.2058 C1=CN=CC(NC2CCC2)=C1 D74719 [0,1,0,1,0,0|2,0,0]=4 170 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1F E72947 [0,1,0,1,0,0|2,0,0]=4 171 B12R2.18 N[C@H]1CC2=C(C=CC=C2)[C@H]1O C74202 [0,1,0,1,0,0|2,0,0]=4 172 B12R2.2403 CC1(C)NCC2=C1C=CN=C2 86458 [0,1,0,1,0,0|2,0,0]=4 173 B12R2.3190 CC(=O)[C@@H]1CC2=C1C=CC=C2 E72984 [0,1,0,1,0,0|1,0,1]=4