0 B10R1.15 C#C[C@@H](C)C1=CC=CC=C1 C12342 [0,0,0,0,0,0|1,0,3]=4 1 B10R1.15 CC[C@H](N)C1=NC=CC=N1 C90664 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.15 CN[C@@H](C)C1=CC=NC=C1 AT18142 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.15 C[C@@H](CO)C1=NC=CC=C1 AT23842 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.15 C[C@H](ON)C1=CC=CC=C1 D74249 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.15 NC[C@H](F)C1=CC=CC=C1 E72838 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 72623 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 AC4819 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 W11733 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 W11734 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 N14219 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.15 O=C(CBr)C1=CN=CN=C1 O10670 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.6 C=C(F)C1=CC=CC=C1 CS3204 [1,0,0,0,0,0|1,0,1]=3 13 B9R1.6 CN(N)C1=CC=CN=C1 D74848 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.6 CN(N)C1=NC=CC=C1 D86030 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.6 C[P@H](=O)C1=CC=CC=C1 O11981 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.8 CCNC1=CN=NC=C1 D86255 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.8 CCOC1=CN=CC=C1 F31361 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.8 ClCCC1=CN=CC=C1 D87792 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.8 I\C=C/C1=CC=CC=C1 AT23642 [1,0,0,0,0,0|1,0,1]=3 20 B9R1.8 SCCC1=CN=CC=C1 F18092 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.7 C=C[Se](=O)(=O)C1=CC=CC=C1 AT22715 [0,1,0,0,0,0|1,0,2]=4 22 B11R1.12 CCB(CC)C1=CC=NC=C1 W17984 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.12 N#C[C@@H](CO)C1=CC=CC=C1 F11744 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.12 NC\C(=C\Cl)C1=CC=CC=C1 42349 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.16 NCCC(=O)C1=CC=CC=C1 AC9010 [0,1,0,0,0,0|0,0,0]=1 26 B11R1.16 NCCC(=O)C1=CC=CC=C1 D76552 [0,1,0,0,0,0|0,0,0]=1 27 B11R1.16 OCC[C@H](O)C1=CC=NC=C1 D76515 [0,1,0,0,0,0|1,0,2]=4 28 B11R1.22 CNC(=S)C1=CC=C(Br)C=C1 AC9075 [0,1,0,0,0,0|1,1,0]=3 29 B11R1.22 COC(=O)C1=CN=C(Br)N=C1 AT22353 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.22 COC(=O)C1=NN=C(F)C=C1 AT24744 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.22 O=C(CBr)C1=NN=C(Cl)C=C1 W11188 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.22 O=C(CO)C1=CN=C(Cl)C=C1 C91057 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 AT17335 [0,1,0,0,0,0|1,0,2]=4 34 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 AT17408 [0,1,0,0,0,0|1,0,2]=4 35 B11R1.23 CC1=CC=CC(C(=O)CBr)=N1 F53403 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.23 CC[C@H](C)C1=CC=CC(N)=N1 AT24915 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 F13059 [0,1,0,0,0,0|1,0,1]=3 38 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 F13081 [0,1,0,0,0,0|1,0,1]=3 39 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 E72733 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 E72741 [0,1,0,0,0,0|2,0,1]=4 41 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 E72742 [0,1,0,0,0,0|2,0,1]=4 42 B11R1.23 COC(=O)C1=CN=NC(C)=C1 E71799 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 Y10333 [0,1,0,0,0,0|1,0,2]=4 44 B11R1.23 N[C@@H](CF)C1=CC=CC(Cl)=C1 N14612 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.23 N[C@@H](CO)C1=CC=CC(I)=C1 P12330 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.23 N[C@@H](CO)C1=CC=CC(O)=C1 F16868 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.23 O[C@@H](CF)C1=CC=CC(Cl)=C1 AT24264 [0,1,0,0,0,0|1,0,2]=4 48 B11R1.36 CC(C)[C@H](C)C1=CC=CC=C1 T70930 [0,1,0,0,0,0|1,0,1]=3 49 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N15520 [0,1,0,0,0,0|1,0,1]=3 50 B11R1.36 O[C@H](C1=CC=CC=C1)C(F)F AT21494 [0,1,0,0,0,0|1,0,2]=4 51 B11R1.36 O[C@H](C1=CC=CC=C1)C(F)F AT21495 [0,1,0,0,0,0|1,0,2]=4 52 B11R1.222 C=CC(=O)C1=C(F)C=CC=C1 F13144 [0,1,0,0,0,0|0,0,2]=3 53 B11R1.222 CC1=C(C(=S)NN)C=CC=C1 W10975 [0,1,0,0,0,0|2,1,0]=4 54 B11R1.222 CC[C@H](O)C1=C(F)C=CC=C1 AT26732 [0,1,0,0,0,0|0,0,2]=3 55 B11R1.222 COC(=O)C1=NN=CC=C1C F51619 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13417 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13440 [0,1,0,0,0,0|2,0,1]=4 58 B11R1.222 O=C(CCl)C1=NC=CC=C1F 78963 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.222 O=C(NO)C1=C(Br)C=CC=C1 D76830 [0,1,0,0,0,0|2,0,0]=3 60 B11R2.1 BrC1=NOC2=C1C=CC=C2 D77128 [0,0,0,1,0,0|3,0,0]=4 61 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E73009 [0,0,0,1,0,0|2,0,1]=4 62 B11R2.1 NC1=C2C=CC=CC2=NO1 AC2203 [0,0,0,1,0,0|3,0,0]=4 63 B11R2.1 N[C@H]1CCC2=NC=CC=C21 C15938 [0,0,0,1,0,0|2,0,1]=4 64 B11R2.1 N[C@H]1COC2=C1C=CC=C2 F16957 [0,0,0,1,0,0|2,0,1]=4 65 B11R2.1 O=C1NC=C2C=CC=CN12 D72553 [0,0,0,1,0,0|2,0,1]=4 66 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 P15599 [0,0,0,1,0,0|2,0,1]=4 67 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P19381 [0,0,0,1,0,0|2,0,1]=4 68 B11R2.40 NC1(C2=CC=NC=C2)CC1 AC2827 [0,0,0,1,0,0|2,0,1]=4 69 B11R2.40 OC1(C2=CC=CC=C2)CC1 D72927 [0,0,0,1,0,0|0,0,2]=3 70 B11R2.40 OC1(C2=NC=CC=C2)CC1 AC9082 [0,0,0,1,0,0|1,0,2]=4 71 B9R1.11 COC(=O)C1=CON=C1 F14140 [0,0,0,0,1,0|3,0,0]=4 72 B9R1.11 COC(=O)C1=CSN=C1 F14219 [0,0,0,0,1,0|3,0,0]=4 73 B11R1.40 CNC(=O)NC1=CC=CC=C1 D77088 [0,0,0,0,0,1|1,0,0]=2 74 B11R1.40 COC(=N)CC1=CC=CC=C1 C10559 [0,0,0,0,0,1|2,0,0]=3 75 B11R1.40 COC(=O)CC1=NN=CC=C1 37155 [0,0,0,0,0,1|3,0,0]=4 76 B11R1.40 N[C@H](CF)CC1=CC=CC=C1 AC6790 [0,0,0,0,0,1|2,0,1]=4 77 B11R1.40 N[C@H](CF)CC1=CC=CC=C1 AC6791 [0,0,0,0,0,1|2,0,1]=4 78 B8R1.2 CCC1=NC=CC=N1 D86044 [2,0,0,0,0,0|2,0,0]=4 79 B8R1.2 C[13CH2]C1=CC=CC=C1 D98792 [2,0,0,0,0,0|0,0,0]=2 80 B10R1.13 CC(=O)C1=CN=C(N)N=C1 O10258 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.13 CC(=O)C1=NC=C(O)C=N1 AT23878 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50249 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50317 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.13 C[S@](=O)C1=CN=C(Br)C=C1 22983 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.13 O=C(F)C1=CC=C(F)C=C1 AT22483 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.61 CN(C)C1=C(O)C=CC=C1 AT26775 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.61 C[C@H](O)C1=C(N)C=CC=C1 D75506 [1,1,0,0,0,0|0,0,2]=4 88 B10R1.61 O=C(O)C1=C(S)C=CN=C1 AT16203 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.113 CC(=O)C1=NC(C)=CC=N1 P10715 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.113 CC1=CC=CC([S@](=O)[O-])=C1 C14953 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.10 CCNC1=CC=CC(Br)=N1 D77162 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.17 ICCCC1=CN=CC=C1 E70092 [1,1,0,0,0,0|1,0,1]=4 93 B10R1.18 CC(C)NC1=NC=CC=C1 D86001 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.14 CCC(=O)C1=NOC(N)=C1 88478 [0,1,0,0,1,0|2,0,0]=4 95 B10R1.14 COC(=O)C1=CC(Cl)=CN1 P18992 [0,1,0,0,1,0|2,0,0]=4 96 B10R1.14 COC(=O)C1=CC(O)=CN1 D75981 [0,1,0,0,1,0|2,0,0]=4 97 B10R1.23 CC(=O)C(=O)C1=CSC=C1 AC9698 [0,1,0,0,1,0|1,0,1]=4 98 B10R1.23 O=C(C1=CC=CS1)C(O)O 23342 [0,1,0,0,1,0|2,0,0]=4 99 B10R1.149 COC(=O)C1=C(Cl)NC=C1 AT16177 [0,1,0,0,1,0|2,0,0]=4 100 B10R1.149 COC(=O)C1=C(F)C=CO1 AC5536 [0,1,0,0,1,0|2,0,0]=4 101 B10R1.149 COC(=O)C1=COC=C1Br D72254 [0,1,0,0,1,0|2,0,0]=4 102 B10R1.149 COC(=O)C1=CSC=C1Cl AT14982 [0,1,0,0,1,0|2,0,0]=4 103 B12R1.32 NCC[C@H](F)CC1=CC=CC=C1 D76607 [0,1,0,0,0,1|1,0,1]=4 104 B12R1.34 COC(=O)[C@H](C)C1=NC=CC=C1 AT23841 [0,1,0,0,0,1|2,0,0]=4 105 B12R1.50 COC(=O)CC1=CC(Cl)=CN=C1 AT23279 [0,1,0,0,0,1|2,0,0]=4 106 B12R1.50 O=C(CBr)CC1=CC=CC(Br)=C1 78583 [0,1,0,0,0,1|1,0,0]=3 107 B12R1.371 COC(=O)CC1=CC=CN=C1Cl AT23266 [0,1,0,0,0,1|2,0,0]=4 108 B12R1.10 CN=[S@@](C)(=O)C1=CC(N)=CC=C1 AT25744 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.12 [2H]C1=CC=C(N(CC)CC)C=C1 AC5397 [0,2,0,0,0,0|2,0,0]=4 110 B12R1.478 C\C=C(/C(=O)Cl)C1=CC=CC=C1 AT22362 [0,2,0,0,0,0|0,0,1]=3 111 B12R1.478 C\C=C(\C(=O)Cl)C1=CC=CC=C1 AT22361 [0,2,0,0,0,0|0,0,1]=3 112 B12R1.16 CCOC(=O)C1=NC=C(O)C=N1 AT23880 [0,2,0,0,0,0|2,0,0]=4 113 B12R1.17 CCOC(=O)C1=NC(O)=NC=C1 C90447 [0,2,0,0,0,0|2,0,0]=4 114 B12R1.17 COC[C@H](N)C1=CC=CC(Cl)=C1 E72746 [0,2,0,0,0,0|1,0,1]=4 115 B12R1.17 COC[C@H](N)C1=CC=CC(Cl)=C1 Y14847 [0,2,0,0,0,0|1,0,1]=4 116 B12R1.17 COC[C@H](N)C1=CC=CC(F)=C1 Y14848 [0,2,0,0,0,0|1,0,1]=4 117 B12R1.17 OCC[C@H](O)C1=CC=CC(Br)=C1 AT23931 [0,2,0,0,0,0|0,0,2]=4 118 B12R1.308 CCOC(=O)C1=NN=CC=C1C P12979 [0,2,0,0,0,0|2,0,0]=4 119 B12R1.308 COC[C@H](N)C1=C(F)C=CC=C1 Y14845 [0,2,0,0,0,0|1,0,1]=4 120 B12R1.308 OCC[C@H](O)C1=C(Br)C=CC=C1 AT23930 [0,2,0,0,0,0|0,0,2]=4 121 B12R1.5 C#CC1=CC=C(C(=O)NC)C=C1 D75637 [0,2,0,0,0,0|1,0,0]=3 122 B12R1.20 CC(C)N(C)C1=CC=C(Br)C=C1 D76386 [0,2,0,0,0,0|2,0,0]=4 123 B12R1.20 CC1=CC=C([C@@H](N)[C@H](C)O)C=C1 N15706 [0,2,0,0,0,0|1,0,1]=4 124 B12R1.20 CN(C)C(=S)C1=CC=C(Br)C=C1 AC8349 [0,2,0,0,0,0|1,1,0]=4 125 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(Br)C=C1 N15663 [0,2,0,0,0,0|1,0,1]=4 126 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(Cl)C=C1 N15658 [0,2,0,0,0,0|1,0,1]=4 127 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(F)C=C1 N15646 [0,2,0,0,0,0|1,0,1]=4 128 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(O)C=C1 N15679 [0,2,0,0,0,0|1,0,1]=4 129 B12R1.367 CCC(=O)C1=CC(Cl)=C(O)C=C1 AT26585 [0,2,0,0,0,0|0,0,0]=2 130 B12R1.367 COC(=O)C1=CC(N)=C(Cl)C=N1 AT24932 [0,2,0,0,0,0|2,0,0]=4 131 B12R1.367 COC(=O)C1=CN=C(Br)C(Br)=C1 AT24221 [0,2,0,0,0,0|2,0,0]=4 132 B12R1.367 COC(=O)C1=CN=C(Br)C(N)=C1 D85762 [0,2,0,0,0,0|2,0,0]=4 133 B12R1.367 COC(=O)C1=CN=C(C)C(N)=C1 AT14218 [0,2,0,0,0,0|2,0,0]=4 134 B12R1.367 COC(=O)C1=CN=C(F)C(N)=C1 AT14234 [0,2,0,0,0,0|2,0,0]=4 135 B12R1.367 COC(=O)C1=CN=C(I)C(Cl)=C1 AT24238 [0,2,0,0,0,0|2,0,0]=4 136 B12R1.367 COC(=O)C1=CN=C(I)C(F)=C1 AT24237 [0,2,0,0,0,0|2,0,0]=4 137 B12R1.367 COC(=O)C1=NC(C)=C(N)C=C1 89605 [0,2,0,0,0,0|2,0,0]=4 138 B12R1.367 COC(=O)C1=NC=C(O)C(C)=C1 P12287 [0,2,0,0,0,0|2,0,0]=4 139 B12R1.1703 CC[C@H](N)C1=C(Br)C=C(Cl)C=C1 C91975 [0,2,0,0,0,0|1,0,1]=4 140 B12R1.1703 CC[C@H](N)C1=C(Br)C=C(Cl)C=C1 C91979 [0,2,0,0,0,0|1,0,1]=4 141 B12R1.1703 COC(=O)C1=C(I)C=C(Br)C=N1 AT22218 [0,2,0,0,0,0|2,0,0]=4 142 B12R1.1703 COC(=O)C1=C(I)C=C(Cl)N=C1 AT19633 [0,2,0,0,0,0|2,0,0]=4 143 B12R1.1703 COC(=O)C1=NC=C(O)C=C1C AC8222 [0,2,0,0,0,0|2,0,0]=4 144 B12R1.24 COC(=O)C1=C(C)C(C)=NC=C1 D77135 [0,2,0,0,0,0|2,0,0]=4 145 B12R1.24 COC(=O)C1=C(N)C(F)=NC=C1 AT26925 [0,2,0,0,0,0|2,0,0]=4 146 B12R1.24 COC(=O)C1=CN=CC(Br)=C1Br AT15997 [0,2,0,0,0,0|2,0,0]=4 147 B12R1.24 COC(=O)C1=CN=CC(Br)=C1C 82666 [0,2,0,0,0,0|2,0,0]=4 148 B12R1.24 COC(=O)C1=CN=CC(Br)=C1N AT16240 [0,2,0,0,0,0|2,0,0]=4 149 B12R1.225 CC(O)C(N)C1=CC=CC(Br)=C1 D85229 [0,2,0,0,0,0|1,0,1]=4 150 B12R1.225 CC(O)C(N)C1=CC=CC(Cl)=C1 D85228 [0,2,0,0,0,0|1,0,1]=4 151 B12R1.225 CC(O)C(N)C1=CC=CC(F)=C1 D85236 [0,2,0,0,0,0|1,0,1]=4 152 B12R1.225 CC(O)C(N)C1=CC=CC(O)=C1 D85238 [0,2,0,0,0,0|1,0,1]=4 153 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(Br)=C1 N15618 [0,2,0,0,0,0|1,0,1]=4 154 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(Cl)=C1 N15633 [0,2,0,0,0,0|1,0,1]=4 155 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(F)=C1 N15645 [0,2,0,0,0,0|1,0,1]=4 156 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(O)=C1 N15623 [0,2,0,0,0,0|1,0,1]=4 157 B12R1.354 CC[C@H](N)C1=C(Br)C=CC(Cl)=C1 C91972 [0,2,0,0,0,0|1,0,1]=4 158 B12R1.354 COC(=O)C1=C(Br)C=NC(C)=C1 AC9248 [0,2,0,0,0,0|2,0,0]=4 159 B12R1.354 COC(=O)C1=C(C)C=CC(=O)N1 E71859 [0,2,0,0,0,0|2,0,0]=4 160 B12R1.354 COC(=O)C1=C(C)C=NC(N)=C1 AT18126 [0,2,0,0,0,0|2,0,0]=4 161 B12R1.354 COC(=O)C1=C(O)C=CC(Cl)=N1 D76429 [0,2,0,0,0,0|2,0,0]=4 162 B12R1.354 COC(=O)C1=C(S)C=CC(F)=C1 AT20788 [0,2,0,0,0,0|1,0,0]=3 163 B12R1.354 CSC(=O)C1=C(F)C=CC(F)=C1 C12395 [0,2,0,0,0,0|1,0,0]=3 164 B12R1.354 CSC(=S)C1=C(F)C=CC(F)=C1 C12396 [0,2,0,0,0,0|1,1,0]=4 165 B12R1.354 O=C(CF)C1=CC(F)=CN=C1F AT10160 [0,2,0,0,0,0|2,0,0]=4 166 B12R1.435 C#CC1=CC=CC(C(=O)NC)=C1 D75639 [0,2,0,0,0,0|1,0,0]=3 167 B12R1.435 CNC(=O)C1=NC=CC(NC)=C1 D76699 [0,2,0,0,0,0|2,0,0]=4 168 B12R1.124 CC(O)C(N)C1=C(Cl)C=CC=C1 D85227 [0,2,0,0,0,0|1,0,1]=4 169 B12R1.124 CC(O)C(N)C1=C(O)C=CC=C1 D85237 [0,2,0,0,0,0|1,0,1]=4 170 B12R1.124 CC(O)[C@H](N)C1=C(Cl)C=CC=C1 Y14833 [0,2,0,0,0,0|1,0,1]=4 171 B12R1.124 CC1=C(C(N)C(C)O)C=CC=C1 D85224 [0,2,0,0,0,0|1,0,1]=4 172 B12R1.124 CC1=C([C@@H](N)C(C)O)C=CC=C1 Y14832 [0,2,0,0,0,0|1,0,1]=4 173 B12R1.124 CC1=C([C@@H](N)[C@H](C)O)C=CC=C1 N15528 [0,2,0,0,0,0|1,0,1]=4 174 B12R1.124 C[C@H](O)[C@H](N)C1=C(Br)C=CC=C1 N15547 [0,2,0,0,0,0|1,0,1]=4 175 B12R1.124 C[C@H](O)[C@H](N)C1=C(Cl)C=CC=C1 N15540 [0,2,0,0,0,0|1,0,1]=4 176 B12R1.124 C[C@H](O)[C@H](N)C1=C(F)C=CC=C1 N15533 [0,2,0,0,0,0|1,0,1]=4 177 B12R1.124 C[C@H](O)[C@H](N)C1=C(O)C=CC=C1 N15630 [0,2,0,0,0,0|1,0,1]=4 178 B12R1.564 CC(C)(O)[C@H](N)C1=CC=CC=C1 51065 [0,2,0,0,0,0|1,0,1]=4 179 B12R1.77 CC[C@H](N)C1=C(CO)C=CC=C1 Y12542 [0,2,0,0,0,0|1,0,1]=4 180 B12R1.77 CC[C@H](N)C1=C(CO)C=CC=C1 Y12889 [0,2,0,0,0,0|1,0,1]=4 181 B12R1.77 COC(=O)C1=C(CBr)C=CN=C1 90036 [0,2,0,0,0,0|2,0,0]=4 182 B12R1.3441 COC(=O)C1=C(Br)C=NC=C1Cl AT24330 [0,2,0,0,0,0|2,0,0]=4 183 B12R1.3441 COC(=O)C1=C(Cl)C=NC=C1C AT24331 [0,2,0,0,0,0|2,0,0]=4 184 B12R1.3441 COC(=O)C1=C(Cl)C=NC=C1O AT11136 [0,2,0,0,0,0|2,0,0]=4 185 B10R1.20 C=CC1=C(CO)C=CC=C1 S11028 [0,0,1,1,0,0|2,0,0]=4 186 B10R2.6 C1=CC=C(C2CC2)C=C1 W16080 [1,0,0,1,0,0|1,0,1]=4 187 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 89380 [1,0,0,1,0,0|1,0,1]=4 188 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 89381 [1,0,0,1,0,0|1,0,1]=4 189 B10R2.7 C1=CC2=C(C=C1)[Se]C=C2 AC9469 [1,0,0,1,0,0|1,0,1]=4 190 B10R2.7 C1=CC2=C(C=N1)CCO2 D75261 [1,0,0,1,0,0|2,0,0]=4 191 B10R2.32 O=C1CCC2=C1N=CO2 AT24635 [0,0,0,1,1,0|2,0,0]=4 192 B10R2.32 O=C1CCC2=C1N=CS2 AT24601 [0,0,0,1,1,0|2,0,0]=4 193 B10R2.32 O=C1CCC2=C1OC=C2 D74775 [0,0,0,1,1,0|1,0,0]=3 194 B10R2.32 O=C1CCC2=C1OC=N2 AT24607 [0,0,0,1,1,0|2,0,0]=4 195 B10R2.32 O=C1CCC2=C1SC=N2 AT24604 [0,0,0,1,1,0|2,0,0]=4 196 B10R2.32 O=C1CCN2N=CC=C12 D73593 [0,0,0,1,1,0|2,0,0]=4 197 B12R2.18 [2H]C1=CC2=C(C=CC=C2)N1C AC6975 [0,0,0,1,0,1|2,0,0]=4 198 B12R2.23 OC1CCC1C2=CC=CC=C2 84063 [0,0,0,1,0,1|0,0,2]=4 199 B12R2.24 O=C1CC2=C(C=CN=C2)CN1 86460 [0,0,0,1,0,1|2,0,0]=4 200 B12R2.24 O=C1CCC2=C(C=NC=C2)N1 AC7087 [0,0,0,1,0,1|1,0,0]=3 201 B12R2.24 O=C1CSC2=C(C=NC=C2)N1 AT25988 [0,0,0,1,0,1|2,0,0]=4 202 B12R2.116 CC1(C2=CC=CC=C2)CNC1 AT12548 [0,1,0,1,0,0|1,0,1]=4 203 B12R2.138 O=C1C2=C(C=CC=C2)C1(F)F AT11817 [0,1,0,1,0,0|1,0,0]=3 204 B12R2.235 NC1CC1(F)C2=CC=CC=C2 AT23658 [0,1,0,1,0,0|1,0,1]=4 205 B12R2.235 N[C@@H]1C[C@@]1(F)C2=CC=CC=C2 AT23672 [0,1,0,1,0,0|1,0,1]=4 206 B12R2.235 N[C@H]1C[C@@]1(F)C2=CC=CC=C2 AT23673 [0,1,0,1,0,0|1,0,1]=4 207 B12R2.1 C#C[C@H]1CCC2=C1C=CC=C2 C11457 [0,1,0,1,0,0|1,0,1]=4 208 B12R2.1 CN[C@H]1CCC2=C1C=CC=C2 AT22268 [0,1,0,1,0,0|1,0,1]=4 209 B12R2.1 CN[C@H]1CCC2=C1C=CC=C2 AT22269 [0,1,0,1,0,0|1,0,1]=4 210 B12R2.1 O=CC1=C2C=CC=CC2=NO1 AC6722 [0,1,0,1,0,0|2,0,0]=4 211 B12R2.1 O=C[C@@H]1COC2=C1C=CC=C2 AT24011 [0,1,0,1,0,0|1,0,1]=4 212 B12R2.2 C1=CC=C([C@@H]2CCON2)C=C1 E71447 [0,1,0,1,0,0|0,0,2]=4 213 B12R2.22 Br[C@H]1C[C@@H](C2=CC=CC=C2)C1 AT21926 [0,1,0,1,0,0|1,0,1]=4 214 B12R2.22 Br[C@H]1C[C@H](C2=CC=CC=C2)C1 AT21928 [0,1,0,1,0,0|1,0,1]=4 215 B12R2.1081 C=C1CCOC2=C1N=CC=C2 50589 [0,1,0,1,0,0|2,0,0]=4 216 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 W16102 [0,1,0,1,0,0|1,0,1]=4 217 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 W16103 [0,1,0,1,0,0|1,0,1]=4 218 B12R2.1081 O=C1CCOC2=C1C=CC=N2 AT19775 [0,1,0,1,0,0|1,0,0]=3 219 B12R2.1081 O=C1CCOC2=C1C=CN=C2 AT19772 [0,1,0,1,0,0|1,0,0]=3 220 B12R2.1081 O=C1COCC2=C1C=CN=C2 P20308 [0,1,0,1,0,0|1,0,0]=3 221 B12R2.290 NC1(C2=CC=C(I)C=C2)CC1 AC6503 [0,1,0,1,0,0|1,0,1]=4 222 B12R2.290 NC1=CC=C(C2(N)CC2)C=C1 AC2727 [0,1,0,1,0,0|1,0,1]=4 223 B12R2.612 NC1=CC2=C(C=C1)C(=O)CO2 D76407 [0,1,0,1,0,0|1,0,0]=3 224 B12R2.612 NC1=CN=C2C(=O)OCC2=C1 AT26563 [0,1,0,1,0,0|2,0,0]=4 225 B12R2.612 O=C1CCC2=C1C=CC(Br)=N2 D72218 [0,1,0,1,0,0|1,0,0]=3 226 B12R2.612 O=C1CCC2=CC(Cl)=NC=C12 AT11786 [0,1,0,1,0,0|1,0,0]=3 227 B12R2.612 O=C1CSC2=C1C=CC(Br)=C2 D76235 [0,1,0,1,0,0|1,0,0]=3 228 B12R2.2302 BrC1=CC=C([C@@H]2CCN2)C=C1 F53752 [0,1,0,1,0,0|1,0,1]=4 229 B12R2.2302 CC1=CC=C(C2CCC2)C=C1 F53454 [0,1,0,1,0,0|1,0,1]=4 230 B12R2.2302 NC1=CC=C(C2CCC2)C=C1 D85595 [0,1,0,1,0,0|1,0,1]=4 231 B12R2.2302 NC1=CC=C([C@@H]2CCO2)C=C1 AT23927 [0,1,0,1,0,0|0,0,2]=4 232 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 I10856 [0,1,0,1,0,0|1,0,1]=4 233 B12R2.132 O=C1CCC2=C1N=C(Cl)C=C2 C91067 [0,1,0,1,0,0|1,0,0]=3 234 B12R2.132 O=C1NCC2=CN=C(Cl)C=C12 D76096 [0,1,0,1,0,0|2,0,0]=4 235 B12R2.132 O=C1NCC2=NC=C(Cl)C=C12 W19242 [0,1,0,1,0,0|2,0,0]=4 236 B12R2.1282 NC1(C2=CC=CC(O)=C2)CC1 AT26939 [0,1,0,1,0,0|1,0,1]=4 237 B12R2.1282 OC1(C2=CC=CC(Br)=C2)CC1 AT23531 [0,1,0,1,0,0|0,0,2]=4 238 B12R2.1282 OC1(C2=CC=CC(F)=C2)CC1 AT23534 [0,1,0,1,0,0|0,0,2]=4 239 B12R2.2313 BrC1=CC([C@@H]2CCO2)=CC=C1 AT23934 [0,1,0,1,0,0|0,0,2]=4 240 B12R2.2313 FC1=CC([C@@H]2CCN2)=CC=C1 AT25421 [0,1,0,1,0,0|1,0,1]=4 241 B12R2.88 NC1(C2=C(O)C=CC=C2)CC1 D75141 [0,1,0,1,0,0|1,0,1]=4 242 B12R2.88 NC1=C(C2(N)CC2)C=CC=C1 AC3778 [0,1,0,1,0,0|1,0,1]=4 243 B12R2.88 OC1(C2=C(Cl)C=CC=C2)CC1 AT26675 [0,1,0,1,0,0|0,0,2]=4 244 B12R2.88 OC1(C2=C(F)C=CC=C2)CC1 AT23533 [0,1,0,1,0,0|0,0,2]=4 245 B12R2.203 N[C@H]1CCC2=CC=CC(Cl)=C21 28300 [0,1,0,1,0,0|1,0,1]=4 246 B12R2.203 O=C1NCC2=CC=CC(O)=C12 F18714 [0,1,0,1,0,0|1,0,0]=3 247 B12R2.203 O=C1NOC2=CC=CC(Cl)=C12 75132 [0,1,0,1,0,0|2,0,0]=4 248 B12R2.517 BrC1=C([C@@H]2CCO2)C=CC=C1 AT23933 [0,1,0,1,0,0|0,0,2]=4 249 B12R2.517 FC1=C([C@@H]2CCN2)C=CC=C1 AT25420 [0,1,0,1,0,0|1,0,1]=4 250 B8R1.7 CC(=O)C1=NSC=C1 AT21125 [1,0,0,0,1,0|2,0,0]=4