0 B10R1.13 CC(=O)C1=CN=C(N)N=C1 O10258 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.13 CC(=O)C1=NC=C(O)C=N1 AT23878 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10692 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10693 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.13 C[C@H](O)C1=NC=C(O)C=N1 72720 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50249 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50317 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.13 C[S@](=O)C1=CN=C(Br)C=C1 22983 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.13 N=C(N)C1=CN=C(Br)C=C1 W17790 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.13 NC(=O)C1=CN=C(Br)N=C1 D76256 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.13 O=C(F)C1=CC=C(F)C=C1 AT22483 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.13 O=C(O)C1=NC=C(O)C=N1 H11150 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.13 O=[S@]([O-])C1=NC=C(Cl)C=C1 D77054 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.13 OC1=CC=C(C(F)F)C=C1 78024 [0,0,0,0,0,0|2,0,1]=3 14 B9R1.1 CCC1=NC=C(O)C=C1 D76529 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.1 NC1=CN=C(CO)C=C1 D77165 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.1 O=CC1=NC=C(O)C=N1 H11149 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.6 C=C(F)C1=CC=CC=C1 CS3204 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.6 C[P@H](=O)C1=CC=CC=C1 O11981 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.6 O=C(O)C1=NC=NN=C1 D73602 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.3 C[C@H](O)C1=CC=C(C=O)C=C1 D74867 [0,1,0,0,0,0|1,0,2]=4 21 B11R1.3 NCC1=NC=C(C(=O)O)C=N1 AT18397 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.3 NCC1=NC=C(C(N)=O)C=C1 O11498 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.3 O=C(O)C1=CC=C(CF)C=C1 E72963 [0,1,0,0,0,0|1,0,0]=2 24 B11R1.19 CC(C)(F)C1=CC=C(O)C=C1 AC6205 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 AT11670 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W15910 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.19 CP(C)(=O)C1=CC=C(Br)C=C1 D73584 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.19 C[S@](=N)(=O)C1=CC=C(N)C=C1 AT25737 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.19 O=P(O)(O)C1=CC=C(Br)C=C1 T70400 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.19 O=S(=O)(F)C1=CN=C(O)C=C1 AT26908 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.19 [2H]C([2H])([2H])C1=CC=C(O)C=C1 D99239 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.19 [2H]C1=CC=C(S(C)(=O)=O)C=C1 AC5556 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.21 CC1=C(S)C=C(C(=O)O)C=C1 D74668 [0,1,0,0,0,0|1,0,0]=2 34 B11R1.21 CC1=CC(C(=O)O)=NN=C1C AT17788 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.21 NC(=O)C1=CN=C(Cl)C(F)=C1 D97046 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.21 NC1=C(Br)C=CC(C(=O)O)=N1 F31272 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.21 NC1=CC(C(=O)O)=CN=C1F AT14227 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.21 O=C(O)C1=CC(Cl)=C(F)C=N1 AT23489 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.21 O=C(O)C1=NC(=O)[C@@H](F)C=C1 AC9403 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.21 O=C(O)C1=NC(F)=C(Br)C=C1 AT22891 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.21 [BH3-]C1=C(C)C=CC(C(N)=O)=C1 AC8800 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.22 CNC(=S)C1=CC=C(Br)C=C1 AC9075 [0,1,0,0,0,0|2,1,0]=4 43 B11R1.22 COC(=O)C1=CN=C(Br)N=C1 AT22353 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.22 COC(=O)C1=NN=C(F)C=C1 AT24744 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.22 O=C(CO)C1=CN=C(Cl)C=C1 C91057 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 AT17335 [0,1,0,0,0,0|1,0,2]=4 47 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 AT17408 [0,1,0,0,0,0|1,0,2]=4 48 B11R1.166 CC(=O)C1=C(F)C=C(N)C=C1 AT16600 [0,1,0,0,0,0|2,0,0]=3 49 B11R1.166 CC(=O)C1=C(O)N=C(Cl)C=C1 AT20297 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.166 CC(=O)C1=CN=C(Cl)C=C1N AC9826 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.166 CC(=O)C1=NC=C(Br)C=C1O AT21120 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.166 CC1=C(C(=O)O)N=CC(Cl)=N1 AT24109 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.166 NC(=O)C1=NC=C(F)C=C1N AT14793 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.166 NC1=CC(S)=C(C(=O)O)C=C1 AT21193 [0,1,0,0,0,0|1,0,0]=2 55 B11R1.166 O=C(O)C1=C(I)C=C(Br)N=C1 AT12762 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.166 O=C(O)C1=C(I)C=C(Cl)N=C1 P12286 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.166 O=C(O)C1=C(O)N=C(Br)C=C1 AC4834 [0,1,0,0,0,0|2,0,0]=3 58 B9R1.35 CC(=O)C1=CC(Br)=CO1 AT15600 [0,0,0,0,1,0|3,0,0]=4 59 B9R1.35 CC(=O)C1=CNC(Br)=C1 AC9410 [0,0,0,0,1,0|3,0,0]=4 60 B9R1.35 CC1=CC(C(=O)O)=CO1 AT17486 [0,0,0,0,1,0|2,0,0]=3 61 B9R1.35 CC1=COC(C(=O)O)=C1 P12603 [0,0,0,0,1,0|2,0,0]=3 62 B9R1.35 CC1=COC(C(=O)O)=N1 94252 [0,0,0,0,1,0|3,0,0]=4 63 B9R1.35 O=C(O)C1=CC(Cl)=NS1 AT21207 [0,0,0,0,1,0|3,0,0]=4 64 B9R1.35 O=C(O)C1=CC(F)=NN1 E72836 [0,0,0,0,1,0|3,0,0]=4 65 B9R1.35 O=C(O)C1=COC(Cl)=C1 AT17316 [0,0,0,0,1,0|2,0,0]=3 66 B9R1.35 O=C(O)C1=CSC(F)=C1 P10264 [0,0,0,0,1,0|2,0,0]=3 67 B9R1.35 O=C(O)C1=NC(Br)=CN1 AT15621 [0,0,0,0,1,0|3,0,0]=4 68 B9R1.35 O=C(O)C1=NSC(Br)=C1 AT21100 [0,0,0,0,1,0|3,0,0]=4 69 B9R1.35 O=C(O)C1=NSC(I)=C1 AT21162 [0,0,0,0,1,0|3,0,0]=4 70 B11R1.20 O=C(O)CC1=CN=C(Br)N=C1 D76259 [0,0,0,0,0,1|3,0,0]=4 71 B11R1.20 O=C(O)CC1=CN=C(F)C=C1 AT23306 [0,0,0,0,0,1|2,0,0]=3 72 B11R1.20 O=C(O)CC1=CNC(=O)C=C1 D86041 [0,0,0,0,0,1|1,0,1]=3 73 B8R1.2 C[13CH2]C1=CC=CC=C1 D98792 [2,0,0,0,0,0|1,0,1]=4 74 B10R1.1 O=CCC1=CN=C(Br)C=C1 AC9639 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.3 CCC1=NC=C(C=O)C=C1 53643 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.25 CC1=CC(Cl)=C(C=O)C=N1 AT24663 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.25 CC1=CC(F)=CN=C1C=O P19560 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.25 N#CC1=C(I)C=C(O)C=C1 D76837 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.25 O=CC1=CN=C(Cl)C=C1O AC9110 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.25 O=CC1=NC=C(Br)C=C1O AT21333 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.25 [BH3-]C1=CC(Cl)=C(CO)C=C1 AC7773 [1,1,0,0,0,0|1,0,1]=4 82 B10R1.176 CSC1=CC(Br)=C(O)C=C1 C14584 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.176 NC1=C(Br)C=CC(C=O)=C1 AT23717 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.176 O=CC1=CC(Br)=C(F)C=N1 AT22892 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.176 O=CC1=CC(Cl)=C(F)C=N1 AT23488 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.176 O=CC1=CC=C(F)C(Br)=N1 54870 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.176 O=CC1=CNC(=O)C(I)=C1 D74794 [1,1,0,0,0,0|1,0,1]=4 88 B10R1.176 O=CC1=NC(F)=C(Br)C=C1 AT22890 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.176 OCC1=CC(Br)=C(I)C=C1 AT26048 [1,1,0,0,0,0|1,0,1]=4 90 B10R1.176 OCC1=CC(Cl)=C(O)C=C1 D88156 [1,1,0,0,0,0|0,0,1]=3 91 B10R1.176 OCC1=CC(O)=C(O)C=N1 F53447 [1,1,0,0,0,0|1,0,1]=4 92 B10R1.15 C[C@H](ON)C1=CC=CC=C1 D74249 [1,1,0,0,0,0|1,0,1]=4 93 B10R1.61 C[C@H](O)C1=C(N)C=CC=C1 D75506 [1,1,0,0,0,0|1,0,1]=4 94 B10R1.61 NC1=C(C(=O)O)C=NN=C1 D87903 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.61 NC1=CC=NN=C1C(=O)O F13675 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.61 O=C(O)C1=C(S)C=CN=C1 AT16203 [1,1,0,0,0,0|1,0,0]=3 97 B10R1.113 CC1=CC=CC([S@](=O)[O-])=C1 C14953 [1,1,0,0,0,0|1,0,1]=4 98 B10R1.14 COC(=O)C1=CC(Cl)=CN1 P18992 [0,1,0,0,1,0|2,0,0]=4 99 B10R1.14 COC(=O)C1=CC(O)=CN1 D75981 [0,1,0,0,1,0|1,0,0]=3 100 B10R1.31 CCC1=CC=C(C(=O)O)N1 D74884 [0,1,0,0,1,0|2,0,0]=4 101 B10R1.31 COC1=CC(C(=O)O)=NN1 D77183 [0,1,0,0,1,0|2,0,0]=4 102 B10R1.31 COC1=NSC(C(=O)O)=C1 AT11833 [0,1,0,0,1,0|2,0,0]=4 103 B10R1.59 O=C(O)C1=C(F)C=C(Br)S1 AT22754 [0,1,0,0,1,0|2,0,0]=4 104 B10R1.194 CC1=CSC(C(=O)O)=C1N 35392 [0,1,0,0,1,0|2,0,0]=4 105 B10R1.194 O=C(O)C1=C(F)C(F)=CN1 P11016 [0,1,0,0,1,0|2,0,0]=4 106 B12R1.4 C#CC1=CC=C(NC(C)=O)C=C1 D75638 [0,1,0,0,0,1|2,0,0]=4 107 B12R1.4 CC(=O)NC1=CC=C(O[13CH3])C=C1 41458 [0,1,0,0,0,1|1,0,0]=3 108 B12R1.20 CC1=CC=C([C@@H](C)C(=O)O)C=C1 Y11047 [0,1,0,0,0,1|1,0,0]=3 109 B12R1.20 CC1=CC=C([C@@H](F)C(=O)O)C=C1 AC9335 [0,1,0,0,0,1|1,0,0]=3 110 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Br)C=C1 D85983 [0,1,0,0,0,1|1,0,0]=3 111 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Br)C=C1 D86053 [0,1,0,0,0,1|1,0,0]=3 112 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Br)C=C1 D87730 [0,1,0,0,0,1|1,0,0]=3 113 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(O)C=C1 N15679 [0,1,0,0,0,1|1,0,1]=4 114 B12R1.20 NC1=CC=C([C@@H](N)C(=O)O)C=C1 N14372 [0,1,0,0,0,1|1,0,0]=3 115 B12R1.233 CC1=C(CC(=O)O)C=CC(Br)=N1 AT12896 [0,1,0,0,0,1|2,0,0]=4 116 B12R1.233 CC1=CC=C(CC(=O)O)C(Cl)=N1 AT21641 [0,1,0,0,0,1|2,0,0]=4 117 B12R1.233 O=C(O)CC1=C(Cl)N=C(Br)C=C1 AT21655 [0,1,0,0,0,1|2,0,0]=4 118 B12R1.233 O=C(O)CC1=C(F)N=C(Br)C=C1 AT21645 [0,1,0,0,0,1|2,0,0]=4 119 B12R1.233 O=C(O)CC1=C(I)C=C(Br)C=C1 D85730 [0,1,0,0,0,1|1,0,0]=3 120 B12R1.233 O=C(O)CC1=C(I)C=C(Cl)C=C1 D85731 [0,1,0,0,0,1|1,0,0]=3 121 B12R1.233 O=C(O)CC1=C(I)C=C(F)C=C1 AT25194 [0,1,0,0,0,1|1,0,0]=3 122 B12R1.5 C#CC1=CC=C(C(=O)NC)C=C1 D75637 [0,2,0,0,0,0|2,0,0]=4 123 B12R1.6 NCC1=CC=C(P(=O)(O)O)C=C1 D74914 [0,2,0,0,0,0|2,0,0]=4 124 B12R1.6 [2H]C([2H])(O)C1=CC=C(OC)C=C1 D98788 [0,2,0,0,0,0|1,0,1]=4 125 B12R1.48 COC1=C(Br)C=C(B(O)O)C=C1 D71888 [0,2,0,0,0,0|1,0,1]=4 126 B12R1.48 N#CC1=C(Cl)C=C(C(=O)O)C=N1 AC9654 [0,2,0,0,0,0|2,0,0]=4 127 B12R1.48 N#CC1=C(Cl)C=C(C(=O)O)N=C1 C77409 [0,2,0,0,0,0|2,0,0]=4 128 B12R1.48 N#CC1=C(F)C=C(C(=O)O)C=N1 AC9225 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.113 CC#CC1=CC=C(C(=O)O)C=C1 C74152 [0,2,0,0,0,0|1,0,0]=3 130 B12R1.452 CC1=C(C(=O)O)C=NC(CO)=N1 AT18297 [0,2,0,0,0,0|2,0,0]=4 131 B12R1.452 N#CC1=CC(Cl)=C(C(=O)O)N=C1 78995 [0,2,0,0,0,0|2,0,0]=4 132 B12R1.452 O=CC1=CC(O)=C(C(=O)O)C=C1 O11231 [0,2,0,0,0,0|0,0,1]=3 133 B12R1.56 COC1=C(F)C=NC(C(=O)O)=C1 AT26887 [0,2,0,0,0,0|2,0,0]=4 134 B12R1.56 N#CC1=C(O)C=CC(B(O)O)=C1 D72188 [0,2,0,0,0,0|1,0,1]=4 135 B12R1.56 NCC1=C(F)C=CC(C(=O)O)=C1 AC6784 [0,2,0,0,0,0|1,0,0]=3 136 B12R1.56 O=CC1=C(O)C=CC(B(O)O)=C1 D71834 [0,2,0,0,0,0|1,0,1]=4 137 B12R1.232 CC1=C(Cl)C=C(C(=O)O)C(Cl)=N1 AT21679 [0,2,0,0,0,0|2,0,0]=4 138 B12R1.232 CC1=C(Cl)C=C(O)C(C(=O)O)=C1 AC7035 [0,2,0,0,0,0|1,0,0]=3 139 B12R1.232 CC1=CC(F)=C(I)C=C1C(=O)O AT25998 [0,2,0,0,0,0|1,0,0]=3 140 B12R1.232 NC1=NC(N)=C(Br)C=C1C(=O)O AC1502 [0,2,0,0,0,0|2,0,0]=4 141 B12R1.232 O=C(O)C1=C(Br)C=C(O)C(F)=C1 AT17981 [0,2,0,0,0,0|0,0,0]=2 142 B12R1.232 O=C(O)C1=C(F)C=C(Cl)C(I)=N1 P18002 [0,2,0,0,0,0|2,0,0]=4 143 B12R1.232 O=C(O)C1=CC(F)=C(Cl)C=C1O D76073 [0,2,0,0,0,0|1,0,0]=3 144 B12R1.232 O=C(O)C1=CC(O)=C(Br)C=C1F AT11232 [0,2,0,0,0,0|1,0,0]=3 145 B12R1.232 O=C(O)C1=CC(O)=C(Cl)C=C1Cl D76122 [0,2,0,0,0,0|1,0,0]=3 146 B12R1.232 O=[N+]([O-])C1=C(Br)C=C(O)C(F)=C1 AT24121 [0,2,0,0,0,0|1,0,1]=4 147 B12R1.367 CC1=C(Cl)C=C(\C(C)=N\O)C=C1 D72579 [0,2,0,0,0,0|2,0,0]=4 148 B12R1.367 CCC(=O)C1=CC(Cl)=C(O)C=C1 AT26585 [0,2,0,0,0,0|1,0,0]=3 149 B12R1.367 COC(=O)C1=CC(N)=C(Cl)C=N1 AT24932 [0,2,0,0,0,0|2,0,0]=4 150 B12R1.367 COC(=O)C1=CN=C(Br)C(Br)=C1 AT24221 [0,2,0,0,0,0|2,0,0]=4 151 B12R1.367 COC(=O)C1=CN=C(Br)C(N)=C1 D85762 [0,2,0,0,0,0|2,0,0]=4 152 B12R1.367 COC(=O)C1=CN=C(C)C(N)=C1 AT14218 [0,2,0,0,0,0|2,0,0]=4 153 B12R1.367 COC(=O)C1=CN=C(F)C(N)=C1 AT14234 [0,2,0,0,0,0|2,0,0]=4 154 B12R1.367 COC(=O)C1=CN=C(I)C(Cl)=C1 AT24238 [0,2,0,0,0,0|2,0,0]=4 155 B12R1.367 COC(=O)C1=CN=C(I)C(F)=C1 AT24237 [0,2,0,0,0,0|2,0,0]=4 156 B12R1.367 COC(=O)C1=NC(C)=C(N)C=C1 89605 [0,2,0,0,0,0|2,0,0]=4 157 B12R1.367 COC(=O)C1=NC=C(O)C(C)=C1 P12287 [0,2,0,0,0,0|1,0,0]=3 158 B12R1.893 CC1=C(C(=O)O)C=CC(F)=C1Br AT21197 [0,2,0,0,0,0|1,0,0]=3 159 B12R1.893 CC1=C(Cl)C(C(=O)O)=CN=C1Cl AT21680 [0,2,0,0,0,0|2,0,0]=4 160 B12R1.893 CN1C=CC(C(=O)O)=C(O)C1=O AT19249 [0,2,0,0,0,0|2,0,0]=4 161 B12R1.893 O=[N+]([O-])C1=CC=C(O)C(F)=C1Br D84779 [0,2,0,0,0,0|1,0,1]=4 162 B12R1.1005 O=C(O)C1=CC(Br)=C(F)C(O)=C1 AT11235 [0,2,0,0,0,0|1,0,0]=3 163 B12R1.16 CCOC(=O)C1=NC=C(O)C=N1 AT23880 [0,2,0,0,0,0|2,0,0]=4 164 B12R1.1703 COC(=O)C1=C(I)C=C(Br)C=N1 AT22218 [0,2,0,0,0,0|2,0,0]=4 165 B12R1.1703 COC(=O)C1=C(I)C=C(Cl)N=C1 AT19633 [0,2,0,0,0,0|2,0,0]=4 166 B12R1.1703 COC(=O)C1=NC=C(O)C=C1C AC8222 [0,2,0,0,0,0|1,0,0]=3 167 B12R1.57 COC1=C(C(=O)O)C=CC(F)=N1 AC9249 [0,2,0,0,0,0|2,0,0]=4 168 B12R1.57 COC1=CC(Br)=NC=C1C(=O)O C91420 [0,2,0,0,0,0|2,0,0]=4 169 B12R1.57 N#CC1=CC(Br)=CN=C1C(=O)O D76577 [0,2,0,0,0,0|2,0,0]=4 170 B12R1.1000 CC1=CC(Br)=CC(Br)=C1C(=O)O AC8815 [0,2,0,0,0,0|1,0,0]=3 171 B12R1.1000 CC1=CC(Br)=CC(C)=C1C(N)=O AT22851 [0,2,0,0,0,0|2,0,0]=4 172 B12R1.1000 O=C(O)C1=C(I)C=C(Br)C=C1I AT18566 [0,2,0,0,0,0|1,0,0]=3 173 B12R1.1000 O=C(O)C1=C(I)C=C(Cl)N=C1Cl F12417 [0,2,0,0,0,0|2,0,0]=4 174 B12R1.1000 O=C(O)C1=C(I)C=C(F)C=C1I AT18563 [0,2,0,0,0,0|1,0,0]=3 175 B12R2.606 CC1=CC2=C(C=C1)N=C(Cl)O2 AC6003 [0,0,0,1,0,1|2,0,0]=4 176 B12R2.606 O=C1NC2=C(C=C(O)C=C2)S1 AC8237 [0,0,0,1,0,1|0,1,0]=3 177 B12R2.612 CC1=CC2=C(C=C1)C(Cl)=NO2 O10990 [0,1,0,1,0,0|2,0,0]=4 178 B12R2.612 NC1=CC2=C(C=C1)C(=O)CO2 D76407 [0,1,0,1,0,0|1,0,0]=3 179 B12R2.612 NC1=CN=C2C(=O)OCC2=C1 AT26563 [0,1,0,1,0,0|2,0,0]=4 180 B12R2.612 NC1=NNC2=C1C=CC(O)=C2 D86129 [0,1,0,1,0,0|2,0,0]=4 181 B12R2.612 O=C1CSC2=C1C=CC(Br)=C2 D76235 [0,1,0,1,0,0|1,1,0]=4 182 B12R2.612 OC1=CC2=C(C=C1)[C@@H](O)CO2 AT23843 [0,1,0,1,0,0|0,0,2]=4 183 B12R2.2302 OC1=CC=C(C2COC2)C=C1 88186 [0,1,0,1,0,0|1,0,1]=4 184 B8R0.23 [13CH2]=[13C]([13CH2][13C](=O)O)[13C](=O)O C90148 [0,0,1,0,1,0|1,0,1]=4 185 B8R1.1 CC1=COC(C=O)=C1 P11782 [1,0,0,0,1,0|2,0,0]=4 186 B8R1.1 O=CC1=CC(Cl)=CN1 P10223 [1,0,0,0,1,0|2,0,0]=4 187 B8R1.1 O=CC1=CC(F)=CS1 D74660 [1,0,0,0,1,0|2,0,0]=4 188 B8R1.1 O=CC1=CC=C(F)S1 87160 [1,0,0,0,1,0|2,0,0]=4 189 B8R1.1 O=CC1=CNC(I)=C1 AC9285 [1,0,0,0,1,0|2,0,0]=4 190 B10R1.18 O=C(Cl)NC1=CC=CC=C1 D86031 [1,0,0,0,0,1|1,0,0]=3 191 B10R1.18 O=C(O)CC1=CC=CC=C1 AT24078 [1,0,0,0,0,1|0,0,0]=2 192 B10R1.18 O=C(O)CC1=CN=NC=C1 P19188 [1,0,0,0,0,1|2,0,0]=4 193 B10R1.18 O=C(O)CC1=NC=NC=C1 P10413 [1,0,0,0,0,1|2,0,0]=4 194 B10R1.18 O=C(O)CC1=NN=CC=C1 P10994 [1,0,0,0,0,1|2,0,0]=4 195 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 D74777 [0,0,0,0,0,2|1,0,0]=3