0 B10R1.18 CC(=O)CC1=NC=CC=N1 P10714 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.18 O=C(Cl)NC1=CC=CC=C1 D86031 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 O=C(O)CC1=CC=CC=C1 AT24078 [0,0,0,0,0,0|0,0,0]=0 3 B10R1.18 O=C(O)CC1=CN=NC=C1 P19188 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.18 O=C(O)CC1=NC=NC=C1 P10413 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.18 O=C(O)CC1=NN=CC=C1 P10994 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.8 ClCCC1=CN=CC=C1 D87792 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.8 I\C=C/C1=CC=CC=C1 AT23642 [1,0,0,0,0,0|1,0,1]=3 8 B9R1.8 O=C=NC1=CC=NC=C1 AC6649 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.8 OCCC1=NC=NC=C1 20262 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.8 SCCC1=CN=CC=C1 F18092 [1,0,0,0,0,0|1,1,1]=4 11 B11R1.20 CC1=CN=C(CC(=O)[O-])C=N1 C92933 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.20 C[C@H](N)CC1=CC=C(I)C=C1 A10374 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.20 O=C(O)CC1=CN=C(Br)N=C1 D76259 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.20 O=C(O)CC1=CN=C(F)C=C1 AT23306 [0,1,0,0,0,0|1,0,0]=2 15 B11R1.20 O=C(O)CC1=CNC(=O)C=C1 D86041 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.36 CC(C)[C@H](C)C1=CC=CC=C1 T70930 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.36 C[C@@H](C(=O)O)C1=NC=CC=C1 W18289 [0,1,0,0,0,0|1,0,0]=2 18 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N15520 [0,1,0,0,0,0|1,0,1]=3 19 B11R1.36 N[C@@H](C(=O)O)C1=CC=NC=C1 AT23446 [0,1,0,0,0,0|1,0,0]=2 20 B11R1.36 N[C@@H](C(=O)O)C1=CC=NC=C1 AT23447 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.36 N[C@@H](C(=O)[O-])C1=CC=NC=C1 AT23529 [0,1,0,0,0,0|1,0,1]=3 22 B11R1.36 O[C@H](C1=CC=CC=C1)C(F)F AT21494 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.36 O[C@H](C1=CC=CC=C1)C(F)F AT21495 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.40 CNC(=O)NC1=CC=CC=C1 D77088 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.40 COC(=N)CC1=CC=CC=C1 C10559 [0,1,0,0,0,0|1,0,0]=2 26 B11R1.40 COC(=O)CC1=NN=CC=C1 37155 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.40 N#C[C@@H](N)CC1=CC=CC=C1 D76472 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.40 N[C@H](CF)CC1=CC=CC=C1 AC6790 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.40 N[C@H](CF)CC1=CC=CC=C1 AC6791 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.86 CC(=O)NC1=C(O)C=NC=C1 D74339 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.86 CC(=O)NC1=CC=CNC1=O D74338 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.86 O=C(O)CC1=C(Br)C=CN=C1 AT23274 [0,1,0,0,0,0|1,0,0]=2 33 B11R1.86 O=C(O)CC1=C(Br)C=NC=C1 AT23277 [0,1,0,0,0,0|1,0,0]=2 34 B11R1.86 O=C(O)CC1=C(Cl)C=CN=C1 AT23281 [0,1,0,0,0,0|1,0,0]=2 35 B11R1.86 O=C(O)CC1=C(Cl)C=NC=C1 AT23303 [0,1,0,0,0,0|1,0,0]=2 36 B11R1.86 O=C(O)CC1=C(F)C=NC=C1 AT23311 [0,1,0,0,0,0|1,0,0]=2 37 B11R1.86 O=C(O)CC1=CC=CN=C1F AT23305 [0,1,0,0,0,0|1,0,0]=2 38 B11R1.86 O=C(O)CC1=NC=CC=C1O 37888 [0,1,0,0,0,0|1,0,0]=2 39 B11R1.86 O=C([O-])CC1=C(Cl)C=NC=C1 AT23304 [0,1,0,0,0,0|1,0,1]=3 40 B11R1.86 O=C([O-])CC1=C(F)C=NC=C1 AT23312 [0,1,0,0,0,0|1,0,1]=3 41 B11R1.157 CC(=O)CC1=CC(N)=CC=C1 D75584 [0,1,0,0,0,0|1,0,0]=2 42 B11R1.157 C[C@H](N)CC1=CC=CC(Cl)=C1 D96441 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.157 O=C(O)CC1=CC(Cl)=CN=C1 AT23278 [0,1,0,0,0,0|1,0,0]=2 44 B11R1.157 O=C(O)CC1=CC(F)=NC=C1 AT23309 [0,1,0,0,0,0|1,0,0]=2 45 B11R1.157 O=C(O)CC1=NC=CC(Cl)=C1 C73248 [0,1,0,0,0,0|1,0,0]=2 46 B11R1.157 O=C(O)CC1=NC=CC(F)=C1 AT23307 [0,1,0,0,0,0|1,0,0]=2 47 B11R1.157 O=C([O-])CC1=CC(F)=NC=C1 AT23310 [0,1,0,0,0,0|1,0,1]=3 48 B11R1.509 NS(=O)(=O)CC1=NC=CC=C1 D76578 [0,1,0,0,0,0|2,0,1]=4 49 B11R1.509 NS(=O)(=O)OC1=CC=CC=C1 AT24286 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.509 O=S(=O)(Cl)CC1=CN=CC=C1 AT21663 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.509 O=S(=O)(Cl)CC1=CN=CC=C1 D87972 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.509 O=S(=O)(Cl)CC1=NC=CC=C1 AR1211 [0,1,0,0,0,0|2,0,1]=4 53 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 P15599 [0,0,0,1,0,0|2,0,1]=4 54 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P19381 [0,0,0,1,0,0|2,0,1]=4 55 B11R2.10 IC1CC2=C(C=CC=C2)C1 H10270 [0,0,0,1,0,0|2,0,1]=4 56 B9R1.6 C=C(F)C1=CC=CC=C1 CS3204 [0,0,0,0,1,0|2,0,0]=3 57 B9R1.6 C[P@H](=O)C1=CC=CC=C1 O11981 [0,0,0,0,1,0|2,0,0]=3 58 B9R1.6 O=C(O)C1=NC=NN=C1 D73602 [0,0,0,0,1,0|3,0,0]=4 59 B11R1.91 C[C@H](O)CCC1=CC=NC=C1 AT24513 [0,0,0,0,0,1|2,0,1]=4 60 B11R1.91 O=C(O)CCC1=NN=CC=C1 P18641 [0,0,0,0,0,1|2,0,0]=3 61 B8R1.2 C[13CH2]C1=CC=CC=C1 D98792 [2,0,0,0,0,0|0,0,1]=3 62 B10R1.1 C#CCC1=CC=C(Cl)C=C1 D75642 [1,1,0,0,0,0|1,0,1]=4 63 B10R1.1 O=CCC1=CN=C(Br)C=C1 AC9639 [1,1,0,0,0,0|1,0,0]=3 64 B10R1.4 OCCC1=C(Br)C=NC=C1 AT12936 [1,1,0,0,0,0|1,0,1]=4 65 B10R1.4 OCCC1=C(Br)C=NC=C1 D77127 [1,1,0,0,0,0|1,0,1]=4 66 B10R1.10 C#CCC1=CC=CC(Cl)=C1 D75648 [1,1,0,0,0,0|1,0,1]=4 67 B10R1.10 NC1=CC(CCO)=NC=C1 AC2677 [1,1,0,0,0,0|1,0,1]=4 68 B10R1.10 NC1=NC=CC(CCO)=C1 AT18203 [1,1,0,0,0,0|1,0,1]=4 69 B10R1.15 C#C[C@@H](C)C1=CC=CC=C1 C12342 [1,1,0,0,0,0|1,0,1]=4 70 B10R1.15 C[C@@H](CO)C1=NC=CC=C1 AT23842 [1,1,0,0,0,0|1,0,1]=4 71 B10R1.15 C[C@H](ON)C1=CC=CC=C1 D74249 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.15 NC[C@H](F)C1=CC=CC=C1 E72838 [1,1,0,0,0,0|1,0,1]=4 73 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 72623 [1,1,0,0,0,0|1,0,1]=4 74 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 AC4819 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 W11733 [1,1,0,0,0,0|1,0,1]=4 76 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 W11734 [1,1,0,0,0,0|1,0,1]=4 77 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 N14219 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50249 [0,1,0,0,1,0|2,0,0]=4 79 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50317 [0,1,0,0,1,0|2,0,0]=4 80 B10R1.13 O=C(F)C1=CC=C(F)C=C1 AT22483 [0,1,0,0,1,0|1,0,0]=3 81 B10R1.13 O=C(O)C1=NC=C(O)C=N1 H11150 [0,1,0,0,1,0|2,0,0]=4 82 B10R1.61 C[C@H](O)C1=C(N)C=CC=C1 D75506 [0,1,0,0,1,0|1,0,1]=4 83 B10R1.61 NC1=C(C(=O)O)C=NN=C1 D87903 [0,1,0,0,1,0|2,0,0]=4 84 B10R1.61 NC1=CC=NN=C1C(=O)O F13675 [0,1,0,0,1,0|2,0,0]=4 85 B10R1.61 O=C(O)C1=C(S)C=CN=C1 AT16203 [0,1,0,0,1,0|1,0,0]=3 86 B10R1.113 CC1=CC=CC([S@](=O)[O-])=C1 C14953 [0,1,0,0,1,0|1,0,1]=4 87 B10R1.23 O=C(O)[C@H](F)C1=CC=CS1 D76404 [0,1,0,0,1,0|1,0,0]=3 88 B10R1.23 O=C(O)[C@H](F)C1=CSC=C1 AC8456 [0,1,0,0,1,0|1,0,0]=3 89 B10R1.54 NC1=CN(CC(=O)O)N=C1 D77107 [0,1,0,0,1,0|2,0,0]=4 90 B10R1.54 O=C(O)CC1=NC=C(Cl)S1 P12957 [0,1,0,0,1,0|2,0,0]=4 91 B10R1.64 CC1=C(CC(=O)O)N=CO1 AC1437 [0,1,0,0,1,0|2,0,0]=4 92 B10R1.64 CC1=C(CC(=O)O)OC=N1 AC1424 [0,1,0,0,1,0|2,0,0]=4 93 B10R1.64 O=C(O)CC1=C(Cl)C=CO1 AC1393 [0,1,0,0,1,0|1,0,0]=3 94 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 D74777 [0,1,0,0,0,1|0,0,1]=3 95 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 F31051 [0,1,0,0,0,1|1,0,1]=4 96 B12R1.43 N[13C@@H](CC1=CC=CC=C1)C(=O)O D98682 [0,1,0,0,0,1|0,0,0]=2 97 B12R1.43 N[C@@H](CC1=NN=CC=C1)C(=O)O Y14572 [0,1,0,0,0,1|2,0,0]=4 98 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 C11623 [0,1,0,0,0,1|1,0,0]=3 99 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 75062 [0,1,0,0,0,1|1,0,0]=3 100 B12R1.107 N[C@@H](CC(=O)O)C1=CN=CN=C1 AT22955 [0,1,0,0,0,1|2,0,0]=4 101 B12R1.107 N[C@@H](CC(=O)O)C1=CN=CN=C1 AT22956 [0,1,0,0,0,1|2,0,0]=4 102 B12R1.107 N[C@@H](CC(=O)O)C1=CN=CN=C1 AT26008 [0,1,0,0,0,1|2,0,0]=4 103 B12R1.125 O=C(O)CCC1=CC=CN=C1Br F30825 [0,1,0,0,0,1|1,0,0]=3 104 B12R1.226 CC(=O)NCC1=NC(N)=CC=C1 D79722 [0,1,0,0,0,1|2,0,0]=4 105 B12R1.226 N=C(N)NCC1=CC=CC(Br)=C1 A10379 [0,1,0,0,0,1|2,0,0]=4 106 B12R1.4 C#CC1=CC=C(NC(C)=O)C=C1 D75638 [0,2,0,0,0,0|2,0,0]=4 107 B12R1.4 CC(=O)NC1=CC=C(O[13CH3])C=C1 41458 [0,2,0,0,0,0|2,0,0]=4 108 B12R1.20 CC1=CC=C([C@@H](C)C(=O)O)C=C1 Y11047 [0,2,0,0,0,0|0,0,0]=2 109 B12R1.20 CC1=CC=C([C@@H](F)C(=O)O)C=C1 AC9335 [0,2,0,0,0,0|0,0,0]=2 110 B12R1.20 CC1=CC=C([C@@H](N)[C@H](C)O)C=C1 N15706 [0,2,0,0,0,0|1,0,1]=4 111 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Br)C=C1 D85983 [0,2,0,0,0,0|0,0,0]=2 112 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Br)C=C1 D86053 [0,2,0,0,0,0|0,0,0]=2 113 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Br)C=C1 D87730 [0,2,0,0,0,0|0,0,0]=2 114 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]=4 115 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]=4 116 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]=4 117 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]=4 118 B12R1.20 NC1=CC=C([C@@H](N)C(=O)O)C=C1 N14372 [0,2,0,0,0,0|0,0,0]=2 119 B12R1.106 C[S@](=N)(=O)CC1=CC=C(Cl)C=C1 E72405 [0,2,0,0,0,0|2,0,0]=4 120 B12R1.233 CC1=C(CC(=O)O)C=CC(Br)=N1 AT12896 [0,2,0,0,0,0|1,0,0]=3 121 B12R1.233 CC1=CC=C(CC(=O)O)C(Cl)=N1 AT21641 [0,2,0,0,0,0|1,0,0]=3 122 B12R1.233 O=C(O)CC1=C(Cl)N=C(Br)C=C1 AT21655 [0,2,0,0,0,0|1,0,0]=3 123 B12R1.233 O=C(O)CC1=C(F)N=C(Br)C=C1 AT21645 [0,2,0,0,0,0|1,0,0]=3 124 B12R1.233 O=C(O)CC1=C(I)C=C(Br)C=C1 D85730 [0,2,0,0,0,0|0,0,0]=2 125 B12R1.233 O=C(O)CC1=C(I)C=C(Cl)C=C1 D85731 [0,2,0,0,0,0|0,0,0]=2 126 B12R1.233 O=C(O)CC1=C(I)C=C(F)C=C1 AT25194 [0,2,0,0,0,0|0,0,0]=2 127 B12R1.34 COC(=O)[C@H](C)C1=NC=CC=C1 AT23841 [0,2,0,0,0,0|1,0,0]=3 128 B12R1.124 CC(=O)[C@H](N)C1=C(C)C=CC=C1 D85230 [0,2,0,0,0,0|1,0,0]=3 129 B12R1.124 CC(=O)[C@H](N)C1=C(Cl)C=CC=C1 D85233 [0,2,0,0,0,0|1,0,0]=3 130 B12R1.124 CC(O)C(N)C1=C(Cl)C=CC=C1 D85227 [0,2,0,0,0,0|1,0,1]=4 131 B12R1.124 CC(O)C(N)C1=C(O)C=CC=C1 D85237 [0,2,0,0,0,0|1,0,1]=4 132 B12R1.124 CC(O)[C@H](N)C1=C(Cl)C=CC=C1 Y14833 [0,2,0,0,0,0|1,0,1]=4 133 B12R1.124 CC1=C(C(N)C(C)O)C=CC=C1 D85224 [0,2,0,0,0,0|1,0,1]=4 134 B12R1.124 CC1=C([C@@H](F)C(=O)O)C=CC=C1 AC9472 [0,2,0,0,0,0|0,0,0]=2 135 B12R1.124 CC1=C([C@@H](N)C(C)O)C=CC=C1 Y14832 [0,2,0,0,0,0|1,0,1]=4 136 B12R1.124 CC1=C([C@@H](N)[C@H](C)O)C=CC=C1 N15528 [0,2,0,0,0,0|1,0,1]=4 137 B12R1.124 C[C@@H](C(=O)O)C1=C(I)C=CC=C1 AT25205 [0,2,0,0,0,0|0,0,0]=2 138 B12R1.124 C[C@@H](C(=O)O)C1=C(I)C=CC=C1 AT25208 [0,2,0,0,0,0|0,0,0]=2 139 B12R1.124 C[C@@H](C(=O)O)C1=C(I)C=CC=C1 AT25209 [0,2,0,0,0,0|0,0,0]=2 140 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]=4 141 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]=4 142 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]=4 143 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]=4 144 B12R1.225 CC(=O)[C@H](N)C1=CC=CC(Br)=C1 D85232 [0,2,0,0,0,0|1,0,0]=3 145 B12R1.225 CC(=O)[C@H](N)C1=CC=CC(Cl)=C1 D85234 [0,2,0,0,0,0|1,0,0]=3 146 B12R1.225 CC(=O)[C@H](N)C1=CC=CC(F)=C1 D85231 [0,2,0,0,0,0|1,0,0]=3 147 B12R1.225 CC(O)C(N)C1=CC=CC(Br)=C1 D85229 [0,2,0,0,0,0|1,0,1]=4 148 B12R1.225 CC(O)C(N)C1=CC=CC(Cl)=C1 D85228 [0,2,0,0,0,0|1,0,1]=4 149 B12R1.225 CC(O)C(N)C1=CC=CC(F)=C1 D85236 [0,2,0,0,0,0|1,0,1]=4 150 B12R1.225 CC(O)C(N)C1=CC=CC(O)=C1 D85238 [0,2,0,0,0,0|1,0,1]=4 151 B12R1.225 C[C@@H](C(=O)O)C1=CC=NC(Cl)=N1 D79426 [0,2,0,0,0,0|2,0,0]=4 152 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(Br)=C1 N15618 [0,2,0,0,0,0|1,0,1]=4 153 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(Cl)=C1 N15633 [0,2,0,0,0,0|1,0,1]=4 154 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(F)=C1 N15645 [0,2,0,0,0,0|1,0,1]=4 155 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(O)=C1 N15623 [0,2,0,0,0,0|1,0,1]=4 156 B12R1.225 NC1=CC=CC([C@@H](N)C(=O)O)=C1 C77056 [0,2,0,0,0,0|0,0,0]=2 157 B12R1.253 CC(C)(C(=O)O)C1=CN=CN=C1 AT13808 [0,2,0,0,0,0|2,0,0]=4 158 B12R1.253 O=C(O)C(F)(F)C1=CC=NC=C1 P19004 [0,2,0,0,0,0|1,0,0]=3 159 B12R1.478 C\C=C(/C(=O)Cl)C1=CC=CC=C1 AT22362 [0,2,0,0,0,0|1,0,1]=4 160 B12R1.478 C\C=C(\C(=O)Cl)C1=CC=CC=C1 AT22361 [0,2,0,0,0,0|1,0,1]=4 161 B12R1.564 CC(C)(O)[C@H](N)C1=CC=CC=C1 51065 [0,2,0,0,0,0|1,0,1]=4 162 B12R1.50 COC(=O)CC1=CC(Cl)=CN=C1 AT23279 [0,2,0,0,0,0|1,0,0]=3 163 B12R1.50 COC(=O)CC1=CC=NC(Cl)=N1 AT12431 [0,2,0,0,0,0|2,0,0]=4 164 B12R1.50 O=C(CBr)CC1=CC=CC(Br)=C1 78583 [0,2,0,0,0,0|1,0,0]=3 165 B12R1.371 COC(=O)CC1=CC=CN=C1Cl AT23266 [0,2,0,0,0,0|1,0,0]=3 166 B12R1.127 CC1=CC(CC(=O)O)=C(I)C=C1 AT25201 [0,2,0,0,0,0|0,0,0]=2 167 B12R1.127 O=C(O)CC1=C(I)C=CC(Br)=C1 C13048 [0,2,0,0,0,0|0,0,0]=2 168 B12R1.127 O=C(O)CC1=C(I)C=CC(Cl)=C1 AT25203 [0,2,0,0,0,0|0,0,0]=2 169 B12R1.127 O=C(O)CC1=CC(Br)=CN=C1F AT21622 [0,2,0,0,0,0|1,0,0]=3 170 B12R1.127 O=C(O)CC1=CC(F)=CN=C1Cl AT21637 [0,2,0,0,0,0|1,0,0]=3 171 B12R1.151 C[S@](=N)(=O)CC1=C(Br)C=CC=C1 E72410 [0,2,0,0,0,0|2,0,0]=4 172 B12R1.1009 O=C(O)CC1=C(Cl)C=CN=C1Cl D75678 [0,2,0,0,0,0|1,0,0]=3 173 B12R1.1009 O=C(O)CC1=C(Cl)C=NC=C1Cl D72181 [0,2,0,0,0,0|1,0,0]=3 174 B12R1.1009 O=C(O)CC1=C(I)C=CC=C1Cl AT25202 [0,2,0,0,0,0|0,0,0]=2 175 B12R1.1009 O=C(O)CC1=C(I)C=CC=C1F AT25198 [0,2,0,0,0,0|0,0,0]=2 176 B12R1.1009 O=[S@]([O-])CC1=C(Cl)C=CC=C1F AT26725 [0,2,0,0,0,0|1,0,1]=4 177 B12R1.101 O=C(O)CC1=CC(Br)=NC(F)=C1 AT21643 [0,2,0,0,0,0|1,0,0]=3 178 B12R1.119 CC(C)(O)CC1=CC(N)=CC=C1 D75585 [0,2,0,0,0,0|1,0,1]=4 179 B12R1.119 C[S@](=N)(=O)CC1=CC=CC(Cl)=C1 E72406 [0,2,0,0,0,0|2,0,0]=4 180 B12R1.438 COC1=CC(CC(=O)O)=CN=C1 AT23273 [0,2,0,0,0,0|1,0,0]=3 181 B10R2.6 C1=CC=C(C2CC2)C=C1 W16080 [1,0,0,1,0,0|1,0,1]=4 182 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 89380 [1,0,0,1,0,0|1,0,1]=4 183 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 89381 [1,0,0,1,0,0|1,0,1]=4 184 B10R2.7 C1=CC2=C(C=C1)[Se]C=C2 AC9469 [1,0,0,1,0,0|0,1,1]=4 185 B10R2.7 C1=CC2=C(C=N1)CCO2 D75261 [1,0,0,1,0,0|1,0,1]=4 186 B10R2.7 C1=CC2=C(C=N1)OC=C2 C73709 [1,0,0,1,0,0|1,0,1]=4 187 B12R2.22 O=C1CC(C2=CC=NC=C2)C1 F53800 [0,0,0,1,0,1|2,0,0]=4 188 B12R2.24 O=C1CC2=C(C=CN=C2)CN1 86460 [0,0,0,1,0,1|2,0,0]=4 189 B12R2.24 O=C1CCC2=C(C=NC=C2)N1 AC7087 [0,0,0,1,0,1|2,0,0]=4 190 B12R2.24 O=C1CSC2=C(C=NC=C2)N1 AT25988 [0,0,0,1,0,1|2,0,0]=4 191 B12R2.3190 CC(=O)[C@@H]1CC2=C1C=CC=C2 E72984 [0,0,0,1,0,1|1,0,0]=3 192 B12R2.3190 O=C(Cl)[C@@H]1CC2=C1C=CC=C2 E73149 [0,0,0,1,0,1|1,0,0]=3 193 B12R2.79 OC1CC1C2=CC=C(Br)C=C2 AT25165 [0,1,0,1,0,0|1,0,1]=4 194 B12R2.606 CC1=CC2=C(C=C1)N=C(Cl)O2 AC6003 [0,1,0,1,0,0|2,0,0]=4 195 B12R2.606 CC1=CC2=C(C=N1)CC(=O)N2 D72985 [0,1,0,1,0,0|2,0,0]=4 196 B12R2.606 NC1=CC2=C(C=N1)NC(=O)C2 D72978 [0,1,0,1,0,0|2,0,0]=4 197 B12R2.606 O=C1C=C2NC(=O)CC2=CN1 D72982 [0,1,0,1,0,0|2,0,0]=4 198 B12R2.606 O=C1NC2=C(C=C(O)C=C2)S1 AC8237 [0,1,0,1,0,0|1,1,0]=4 199 B12R2.18 N[C@H]1CC2=C(C=CC=C2)[C@H]1O C74202 [0,1,0,1,0,0|1,0,1]=4 200 B12R2.23 OC1CCC1C2=CC=CC=C2 84063 [0,1,0,1,0,0|1,0,1]=4 201 B12R2.23 O[C@@H]1CO[C@@H]1C2=CC=CC=C2 E73295 [0,1,0,1,0,0|0,0,2]=4 202 B12R2.23 O[C@H]1CO[C@@H]1C2=CC=CC=C2 E73297 [0,1,0,1,0,0|0,0,2]=4 203 B12R2.32 N#CC1=NC2=C(C=CC=C2)O1 52261 [0,1,0,1,0,0|2,0,0]=4 204 B12R2.32 O=CC1=CC2=C(N=CC=C2)O1 AT21739 [0,1,0,1,0,0|1,0,1]=4 205 B12R2.202 CC1=CC2=C(Br)C=CC=C2O1 53815 [0,1,0,1,0,0|1,0,1]=4 206 B12R2.202 CC1=NC2=C(C=CC=C2O)O1 D77022 [0,1,0,1,0,0|2,0,0]=4 207 B12R2.202 ClC1=CC=CC2=C1OC(Br)=C2 D75799 [0,1,0,1,0,0|1,0,1]=4 208 B12R2.202 ClC1=NC2=CC=CC(Br)=C2O1 AC3185 [0,1,0,1,0,0|2,0,0]=4 209 B12R2.202 FC1=CC=CC2=C1OC(Cl)=N2 AC4467 [0,1,0,1,0,0|2,0,0]=4 210 B12R2.202 O=C1CC2=C(C=CN=C2Br)N1 D72986 [0,1,0,1,0,0|2,0,0]=4 211 B12R2.202 O=C1CC2=C(C=CN=C2Cl)N1 P19236 [0,1,0,1,0,0|2,0,0]=4 212 B12R2.202 O=C1CC2=C(C=CN=C2F)N1 D72987 [0,1,0,1,0,0|2,0,0]=4 213 B12R2.202 O=C1CC2=C(Cl)C=NC=C2N1 D72976 [0,1,0,1,0,0|2,0,0]=4 214 B12R2.202 O=C1CC2=C(F)C=NC=C2N1 D72975 [0,1,0,1,0,0|2,0,0]=4 215 B12R2.202 O=C1CC2=C(N1)C(Br)=NC=C2 D72980 [0,1,0,1,0,0|2,0,0]=4 216 B12R2.202 O=C1CC2=C(N1)C(F)=NC=C2 D72981 [0,1,0,1,0,0|2,0,0]=4 217 B12R2.80 OC1CC1C2=CC=CC(Br)=C2 AT25163 [0,1,0,1,0,0|1,0,1]=4