0 B10R1.13 CC(=O)C1=CC=C(Cl)N=N1 CS-0052859 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 CS-0042572 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.13 CC(N)C1=CC=C(N)C=C1 CS-0274936 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 CS-0222820 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.13 CN(C)C1=CC=C(O)C=C1 CS-0037689 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 CS-0000291 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.13 C[C@@H](N)C1=CC=C(N)C=C1 CS-0000288 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=N1 CS-0169409 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.13 C[C@@H](O)C1=CC=C(Br)N=C1 CS-0501399 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.13 C[C@@H](O)C1=CC=C(F)C=N1 CS-0649753 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 CS-0000287 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 CS-0103184 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.13 NC(=O)C1=CN=C(Cl)N=C1 CS-0045677 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.13 NC(=O)C1=NC=C(Br)N=C1 CS-0149964 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.13 NC1=CN=C(C(=O)O)N=C1 CS-W022293 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.13 O=C(O)C1=CC=C(I)C=C1 CS-W014112 [0,0,0,0,0,0|1,0,0]=1 16 B10R1.13 O=C(O)C1=CN=C(Br)N=C1 CS-0101938 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 CS-W005396 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.13 OC1=CC=C(C(F)F)N=C1 CS-0160074 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.13 [C@H](C)(O)C1=CC=C(Br)C=C1 CS-W015574 [0,0,0,0,0,0|2,0,1]=3 20 B9R1.1 C#CC1=CN=C(O)C=C1 CS-0046193 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.1 CC1=CN=C(C=O)C=N1 CS-W006037 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.1 CNC1=CC=C(I)C=C1 CS-W022200 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.1 C[N+]1=CC=C(CO)C=C1 CS-0366471 [1,0,0,0,0,0|2,0,1]=4 24 B9R1.1 N#CC1=CN=C(O)C=C1 CS-W020390 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.1 O=CC1=NC=C(Br)C=N1 CS-0050558 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.1 O=CC1=NC=C(F)C=N1 CS-0005869 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.1 O=CC1=NC=C(I)C=C1 CS-0491983 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.6 CC(=O)C1=CN=CN=C1 CS-D0295 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.6 C[C@@H](Cl)C1=CC=CC=C1 CS-0851644 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.6 C[C@@H](O)C1=CC=CN=C1 CS-0093784 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.6 C[C@H](Cl)C1=CC=CC=C1 CS-0852321 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.6 Cl[IH2](Cl)C1=CC=CC=C1 CS-0179660 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.6 O=C([O-])C1=CC=CC=C1 CS-0870997 [1,0,0,0,0,0|0,0,1]=2 34 B11R1.3 C#CC1=CN=C(C(C)=O)C=C1 CS-0609792 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.3 CCC1=CC=C(B(O)O)C=C1 CS-W018163 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.3 CCC1=CC=C(C(C)O)C=C1 CS-0451316 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.3 CCC1=CC=C(C(N)=S)C=C1 CS-W010819 [0,1,0,0,0,0|2,1,0]=4 38 B11R1.3 CNC1=CC=C(C(N)=O)C=C1 CS-0927405 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.3 COC1=CC=C(C(N)=O)N=C1 CS-0082328 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.3 CSC1=CC=C(C(C)=O)C=N1 CS-0888259 [0,1,0,0,0,0|2,1,0]=4 41 B11R1.3 O=C(O)C1=CN=C(CCl)C=C1 CS-0447014 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.3 O=[N+]([O-])C1=CC=C(CF)C=C1 CS-0510931 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.19 CC1=CC=C(P(C)(C)=O)C=C1 CS-0642953 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS-WAA0210 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS-WAA0255 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.19 CP(C)(=O)C1=CC=C(F)C=C1 CS-0642995 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.19 CP(C)(=O)C1=CC=C(N)C=C1 CS-0128690 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.19 CS(=N)(=O)C1=CC=C(F)C=C1 CS-0047355 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.19 CS(=N)(=O)C1=CC=C(I)C=C1 CS-0645734 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.19 CS(=N)(=O)C1=CC=C(O)C=C1 CS-0645638 [0,1,0,0,0,0|2,0,0]=3 51 B11R1.21 CC(C)C1=CC=C(O)C(O)=C1 CS-0201149 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.21 CC1=C(Br)C=CC([C@@H](C)O)=C1 CS-0649744 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=N1 CS-0130960 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.21 CC1=C(N)N=CC(C(=O)O)=C1 CS-0029961 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.21 CC1=C(O)C=C(C(N)=O)C=C1 CS-0824758 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.21 CC1=C(O)C=CC(C(C)C)=C1 CS-B1162 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.21 CC1=CC(C(=O)O)=NC=C1F CS-0534611 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.21 CC1=CC([N+](=O)[O-])=CC=C1Cl CS-0010836 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.21 CC1=NC([N+](=O)[O-])=CC=C1O CS-0130313 [0,1,0,0,0,0|2,0,1]=4 60 B11R1.21 C[C@@H](O)C1=CC=C(F)C(F)=C1 CS-0471298 [0,1,0,0,0,0|2,0,1]=4 61 B11R1.21 NC(=O)C1=CC=C(Cl)C(N)=C1 CS-0127989 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.21 NC(=O)C1=CC=C(I)C(O)=C1 CS-W020532 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.21 NC1=C(Br)N=C(C(=O)O)C=C1 CS-0225990 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.21 NC1=C(Cl)C=CC(B(O)O)=C1 CS-0174301 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.21 NC1=C(I)C=C(C(=O)O)C=C1 CS-W012469 [0,1,0,0,0,0|1,0,0]=2 66 B11R1.21 NC1=C(I)C=C(C(=O)O)C=N1 CS-0135759 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.21 O=C(O)C1=CC(O)=C(I)N=C1 CS-0071735 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.21 O=C(O)C1=CC=C(F)C(=O)N1 CS-0136303 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.21 O=C(O)C1=NC(F)=C(Br)C=C1 CS-0534085 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.21 O=[N+]([O-])C1=CN=C(O)C(F)=C1 CS-0088246 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.22 CC(CO)C1=CC=C(F)C=C1 CS-0225766 [0,1,0,0,0,0|2,0,1]=4 72 B11R1.22 CC1=CC=C(\C(C)=N\O)C=C1 CS-0324021 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.22 COC(=O)C1=CN=C(N)C=N1 CS-0049007 [0,1,0,0,0,0|3,0,0]=4 74 B11R1.22 NC1=CC=C(C(=O)NO)C=C1 CS-0459768 [0,1,0,0,0,0|1,0,0]=2 75 B11R1.22 NC1=CC=C(C(=O)O[K])C=C1 CS-0013318 [0,1,0,0,0,0|1,0,0]=2 76 B11R1.22 NCC(=O)C1=CC=C(I)C=C1 CS-0764716 [0,1,0,0,0,0|2,0,0]=3 77 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 CS-0168493 [0,1,0,0,0,0|1,0,0]=2 78 B11R1.22 N[C@H](CO)C1=CC=C(I)C=C1 CS-0162638 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.22 O[C@H](CCl)C1=CC=C(Cl)C=C1 CS-0566714 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.166 CC(=O)C1=C(F)C=C(F)C=C1 CS-W020416 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.166 CC(=O)C1=C(N)C=C(Br)C=C1 CS-W006736 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.166 CC(=O)C1=C(O)C=C(Cl)N=C1 CS-0507290 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.166 CC(=O)C1=CC=C(C)C=C1Cl CS-0609091 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.166 CC(=O)C1=CN=C(C)C=C1C CS-0321375 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.166 CC(=O)C1=NC=C(Cl)C=C1C CS-0443333 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.166 CC(=O)C1=NC=C(F)C=C1Br CS-0373593 [0,1,0,0,0,0|3,0,0]=4 87 B11R1.166 CC(O)C1=CC=C(F)C=C1F CS-0378118 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.166 CC1=C(C(C)C)C=CC(O)=C1 CS-0072744 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.166 CC1=CC=C(C(N)=S)C(O)=C1 CS-0355721 [0,1,0,0,0,0|2,1,0]=4 90 B11R1.166 CC1=CC=C([C@@H](C)O)C(F)=C1 CS-0266831 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.166 CC1=CN=C(C(=O)O)C(=O)N1 CS-0373007 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.166 CC1=CN=C(C(=O)O)C(F)=C1 CS-0051359 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.166 C[C@@H](O)C1=CC=C(F)C=C1Br CS-0238227 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.166 N=C(N)C1=CC=C(Br)C=C1F CS-M2562 [0,1,0,0,0,0|3,0,0]=4 95 B11R1.166 NC(=O)C1=C(F)C=C(N)C=C1 CS-0038662 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.166 NC(=O)C1=CC=C(Cl)N=C1N CS-B0236 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.166 NC(=S)C1=CC=C(Br)C=C1F CS-0306328 [0,1,0,0,0,0|2,1,0]=4 98 B11R1.166 NC1=CC=C(C(=O)O)C(Cl)=N1 CS-0100833 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.166 O=C(O)C1=CN=C(O)C=C1O CS-0060146 [0,1,0,0,0,0|1,0,0]=2 100 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Br CS-0041189 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.35 CC(=O)C1=CC(Br)=CN1 CS-0611923 [0,0,0,0,1,0|3,0,0]=4 102 B9R1.35 CC(=O)C1=CC=C(N)S1 CS-0541697 [0,0,0,0,1,0|3,0,0]=4 103 B9R1.35 CC1=CC(C(=O)O)=CO1 CS-0372581 [0,0,0,0,1,0|2,0,0]=3 104 B9R1.35 NC1=CN=C(C(=O)O)S1 CS-0054696 [0,0,0,0,1,0|3,0,0]=4 105 B9R1.35 O=C(O)C1=CC(O)=CS1 CS-0217303 [0,0,0,0,1,0|1,0,0]=2 106 B9R1.35 O=C(O)C1=COC(Br)=C1 CS-W023154 [0,0,0,0,1,0|2,0,0]=3 107 B9R1.35 O=C1C=C(C(=O)O)CC1 CS-0188012 [0,0,0,0,1,0|0,0,3]=4 108 B9R1.35 O=C1NC(C(=O)O)=CS1 CS-0530108 [0,0,0,0,1,0|2,0,1]=4 109 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CS-W018180 [0,0,0,0,0,1|1,0,1]=3 110 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 CS-0063380 [0,0,0,0,0,1|2,0,0]=3 111 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 CS-0042104 [0,0,0,0,0,1|3,0,0]=4 112 B11R1.20 CC(=O)SC1=CC=C(I)C=C1 CS-1050905 [0,0,0,0,0,1|2,0,0]=3 113 B11R1.20 O=C(O)CC1=CC=C(F)N=C1 CS-0643411 [0,0,0,0,0,1|2,0,0]=3 114 B11R1.20 O=C(O)CC1=NNC(=O)C=C1 CS-0199664 [0,0,0,0,0,1|2,0,1]=4 115 B8R1.2 C=CC1=CC=CC=C1 CS-0199613 [2,0,0,0,0,0|1,0,0]=3 116 B8R1.2 CNC1=CC=CC=C1 CS-0197126 [2,0,0,0,0,0|2,0,0]=4 117 B8R1.2 O=CC1=CC=CC=N1 CS-W007336 [2,0,0,0,0,0|1,0,0]=3 118 B8R1.3 ClC1=CC=C(Cl)C=C1 CS-0015284 [2,0,0,0,0,0|2,0,0]=4 119 B10R1.3 CSC1=CC=C(CO)C=C1 CS-W014397 [1,1,0,0,0,0|0,1,1]=4 120 B10R1.25 CC1=CC(Br)=C(C=O)N=C1 CS-0194862 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.25 CC1=CC(Cl)=C(C=O)C=N1 CS-0615770 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.25 CC1=CC(I)=CC=C1CO CS-0379610 [1,1,0,0,0,0|1,0,1]=4 123 B10R1.25 CC1=CC=C(C=O)C(N)=N1 CS-0312032 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.25 CCC1=CC=C(O)C=C1Br CS-0617680 [1,1,0,0,0,0|1,0,1]=4 125 B10R1.25 N#CC1=CC=C(O)C=C1I CS-0108658 [1,1,0,0,0,0|1,0,1]=4 126 B10R1.25 NCC1=CC=C(O)C=C1F CS-0142110 [1,1,0,0,0,0|1,0,1]=4 127 B10R1.25 O=CC1=CC=C(Br)NC1=O CS-0310157 [1,1,0,0,0,0|2,0,0]=4 128 B10R1.25 O=CC1=NC=C(Br)C=C1O CS-0435681 [1,1,0,0,0,0|2,0,0]=4 129 B10R1.25 O=CC1=NC=C(F)C=C1Br CS-0197581 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.25 OCC1=CC=C(Br)C=C1Br CS-0007742 [1,1,0,0,0,0|1,0,1]=4 131 B10R1.176 CC1=C(Br)C=C(C=O)C=N1 CS-0367173 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.176 CC1=C(Cl)C=C(C=O)C=N1 CS-0134644 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.176 CC1=C(F)C=CC(C=O)=N1 CS-0050476 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.176 CC1=CC(C=O)=CC=C1I CS-0883888 [1,1,0,0,0,0|1,0,0]=3 135 B10R1.176 CC1=CC(CO)=CC=C1Cl CS-0194584 [1,1,0,0,0,0|1,0,1]=4 136 B10R1.176 CC1=CC(CO)=CC=C1I CS-0378772 [1,1,0,0,0,0|1,0,1]=4 137 B10R1.176 CN1C=CC(C=O)=CC1=O CS-0052456 [1,1,0,0,0,0|2,0,0]=4 138 B10R1.176 COC1=CC=C(O)C(C)=C1 CS-W006115 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.176 NCC1=CC=C(O)C(Cl)=C1 CS-0610660 [1,1,0,0,0,0|1,0,1]=4 140 B10R1.176 O=CC1=NC(Br)=C(F)C=C1 CS-0442742 [1,1,0,0,0,0|2,0,0]=4 141 B10R1.176 O=CC1=NC=C(F)C(Cl)=C1 CS-0380518 [1,1,0,0,0,0|2,0,0]=4 142 B10R1.176 OCC1=CC=C(Br)C(I)=C1 CS-0378922 [1,1,0,0,0,0|1,0,1]=4 143 B10R1.176 OCC1=CC=C(I)C(O)=C1 CS-W018963 [1,1,0,0,0,0|1,0,1]=4 144 B10R1.176 OCC1=NC(Cl)=C(O)C=C1 CS-0060367 [1,1,0,0,0,0|1,0,1]=4 145 B10R1.15 C#CC(=O)C1=CC=CC=C1 CS-0072550 [1,1,0,0,0,0|1,0,0]=3 146 B10R1.15 CCC(=O)C1=CN=CC=C1 CS-W013351 [1,1,0,0,0,0|2,0,0]=4 147 B10R1.15 CCC(O)C1=CC=CC=C1 CS-W013334 [1,1,0,0,0,0|1,0,1]=4 148 B10R1.15 C\C(=N/O)C1=CC=CC=C1 CS-0160349 [1,1,0,0,0,0|1,0,0]=3 149 B10R1.28 CS(=N)(=O)C1=CC=CC=C1 CS-0047091 [1,1,0,0,0,0|2,0,0]=4 150 B10R1.28 [2H]C([2H])(O)C1=CC=CC=C1 CS-0527157 [1,1,0,0,0,0|1,0,1]=4 151 B10R1.61 CC(=O)C1=C(Br)C=CN=C1 CS-0634224 [1,1,0,0,0,0|2,0,0]=4 152 B10R1.61 CC(=O)C1=CC=NC=C1C CS-0238561 [1,1,0,0,0,0|2,0,0]=4 153 B10R1.61 CC1=C(C(=O)O)C=NN=C1 CS-0050427 [1,1,0,0,0,0|2,0,0]=4 154 B10R1.61 CS(=O)C1=CC=CC=C1O CS-0213158 [1,1,0,0,0,0|2,0,0]=4 155 B10R1.61 NC(=O)C1=C(Cl)C=CC=N1 CS-0149984 [1,1,0,0,0,0|2,0,0]=4 156 B10R1.61 NC1=CN=NC=C1C(=O)O CS-0340535 [1,1,0,0,0,0|2,0,0]=4 157 B10R1.61 O=C(O)C1=C(F)C=CC=C1 CS-0188334 [1,1,0,0,0,0|0,0,0]=2 158 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 CS-W018028 [1,1,0,0,0,0|1,0,0]=3 159 B10R1.113 CC(=O)C1=NC=CC(F)=C1 CS-0834797 [1,1,0,0,0,0|2,0,0]=4 160 B10R1.113 C[C@@H](O)C1=CC(N)=CC=C1 CS-0371105 [1,1,0,0,0,0|1,0,1]=4 161 B10R1.113 N=C(N)C1=CC=CC(I)=C1 CS-0343280 [1,1,0,0,0,0|2,0,0]=4 162 B10R1.113 NC(=O)C1=CC(Br)=NC=C1 CS-W015579 [1,1,0,0,0,0|2,0,0]=4 163 B10R1.113 O=C(O)C1=NC(Br)=NC=C1 CS-0060693 [1,1,0,0,0,0|2,0,0]=4 164 B10R1.14 COC(=O)C1=CC(Cl)=CS1 CS-0049036 [0,1,0,0,1,0|2,0,0]=4 165 B10R1.31 C#CC1=CC=C(C(=O)O)O1 CS-0201371 [0,1,0,0,1,0|2,0,0]=4 166 B10R1.31 COC1=CSC(C(=O)O)=C1 CS-0434710 [0,1,0,0,1,0|1,0,0]=3 167 B10R1.31 O=CC1=CC(C(=O)O)=CS1 CS-0372656 [0,1,0,0,1,0|1,0,1]=4 168 B10R1.59 O=C(O)C1=C(Cl)SC(Br)=C1 CS-0464589 [0,1,0,0,1,0|2,0,0]=4 169 B10R1.194 CC1=C(C)C(C(=O)O)=CN1 CS-0910011 [0,1,0,0,1,0|2,0,0]=4 170 B12R1.4 CCC1=CC=C(OC(C)=O)C=C1 CS-0152509 [0,1,0,0,0,1|2,0,0]=4 171 B12R1.19 CC1=CC(CC(=O)O)=CN=C1Cl CS-0651514 [0,1,0,0,0,1|2,0,0]=4 172 B12R1.19 O=C(O)CC1=CC(F)=C(Br)N=C1 CS-0203404 [0,1,0,0,0,1|2,0,0]=4 173 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 CS-W002265 [0,1,0,0,0,1|1,0,0]=3 174 B12R1.20 CC(C(=O)O)C1=CC=C(O)C=C1 CS-0059228 [0,1,0,0,0,1|0,0,0]=2 175 B12R1.20 CC1=CC=C(C(F)C(=O)O)C=C1 CS-0104543 [0,1,0,0,0,1|1,0,0]=3 176 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Br)C=C1 CS-0498848 [0,1,0,0,0,1|1,0,0]=3 177 B12R1.20 O=C(O)C(=O)C1=CC=C(F)C=C1 CS-0102796 [0,1,0,0,0,1|1,0,0]=3 178 B12R1.20 O=C(O)C(F)C1=CC=C(Br)C=C1 CS-0616234 [0,1,0,0,0,1|1,0,0]=3 179 B12R1.20 O=C(O)C(F)C1=CC=C(F)C=C1 CS-0308285 [0,1,0,0,0,1|1,0,0]=3 180 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 CS-0059151 [0,1,0,0,0,1|1,0,0]=3 181 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 CS-W016914 [0,1,0,0,0,1|0,0,0]=2 182 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(F)C=C1 CS-0634627 [0,1,0,0,0,1|1,0,0]=3 183 B12R1.20 [C@H](N)(C(=O)O)C1=CC=C(F)C=C1 CS-0043796 [0,1,0,0,0,1|1,0,0]=3 184 B12R1.49 CNC(=O)CC1=CC=C(O)C=C1 CS-0061780 [0,1,0,0,0,1|1,0,0]=3 185 B12R1.106 CS(=O)(=O)NC1=CC=C(O)C=C1 CS-0116400 [0,1,0,0,0,1|1,0,1]=4 186 B12R1.233 CC1=CC(Br)=CC=C1CC(N)=O CS-0926580 [0,1,0,0,0,1|2,0,0]=4 187 B12R1.233 O=C(O)CC1=C(Br)C=C(F)C=C1 CS-W005090 [0,1,0,0,0,1|1,0,0]=3 188 B12R1.5 C#CC(=O)C1=CC=C(OC)C=C1 CS-0527604 [0,2,0,0,0,0|1,0,0]=3 189 B12R1.5 CCC1=CC=C(C(=O)C=O)C=C1 CS-0441475 [0,2,0,0,0,0|1,0,1]=4 190 B12R1.5 CNC(=O)C1=CC=C(OC)C=C1 CS-0061778 [0,2,0,0,0,0|1,0,0]=3 191 B12R1.5 COC(=O)C1=CC=C(OC)C=N1 CS-0048973 [0,2,0,0,0,0|1,0,0]=3 192 B12R1.5 COC1=CC=C(S(=O)O[Na])C=C1 CS-0647615 [0,2,0,0,0,0|1,0,0]=3 193 B12R1.5 COC1=CC=C([C@H](N)CO)C=C1 CS-0542227 [0,2,0,0,0,0|1,0,1]=4 194 B12R1.48 CC(=O)C1=CC=C(C#N)C(Cl)=C1 CS-0376292 [0,2,0,0,0,0|2,0,0]=4 195 B12R1.48 CC1=CC(C(=O)O)=CC=C1CN CS-1174475 [0,2,0,0,0,0|1,0,0]=3 196 B12R1.48 CCC1=C(Br)C=C(C(C)=O)C=C1 CS-0461579 [0,2,0,0,0,0|2,0,0]=4 197 B12R1.48 COC1=C(C)N=C(C(=O)O)C=C1 CS-0195565 [0,2,0,0,0,0|1,0,0]=3 198 B12R1.48 COC1=C(I)N=C(C(=O)O)C=C1 CS-0308400 [0,2,0,0,0,0|1,0,0]=3 199 B12R1.48 COC1=CC=C(C(=N)N)C=C1F CS-0306045 [0,2,0,0,0,0|2,0,0]=4 200 B12R1.48 COC1=CC=C(C(C)=O)C=C1N CS-0227448 [0,2,0,0,0,0|1,0,0]=3 201 B12R1.48 COC1=CC=C([C@@H](C)O)C=C1Br CS-0251061 [0,2,0,0,0,0|1,0,1]=4 202 B12R1.113 CC(=O)C1=CC=C(CC#N)C=C1 CS-1048399 [0,2,0,0,0,0|2,0,0]=4 203 B12R1.113 CCCC1=CC=C(C(=O)O)C=C1 CS-0076861 [0,2,0,0,0,0|1,0,0]=3 204 B12R1.113 CNCC1=NC=C(C(=O)O)C=C1 CS-0890056 [0,2,0,0,0,0|2,0,0]=4 205 B12R1.113 CSCC1=CC=C(C(=O)O)C=C1 CS-0213028 [0,2,0,0,0,0|0,1,0]=3 206 B12R1.113 N#CCC1=CC=C(C(N)=O)C=C1 CS-0243103 [0,2,0,0,0,0|2,0,0]=4 207 B12R1.256 CC(=O)C1=CC=C(C(C)C)C=C1 CS-W010857 [0,2,0,0,0,0|2,0,0]=4 208 B12R1.256 O=C(O)C1=CC=C([N+](=O)[O-])C=C1 CS-B0814 [0,2,0,0,0,0|0,0,1]=3 209 B12R1.452 C#CC1=CC=C(C(=O)O)C(N)=C1 CS-0609643 [0,2,0,0,0,0|1,0,0]=3 210 B12R1.452 CC(=O)C1=C(Cl)C=C(C#N)C=C1 CS-0686287 [0,2,0,0,0,0|2,0,0]=4 211 B12R1.452 CCC1=CC=C(C(=O)O)C(C)=C1 CS-0775829 [0,2,0,0,0,0|1,0,0]=3 212 B12R1.452 CNC1=CC=C(C(=O)O)C(F)=C1 CS-0644200 [0,2,0,0,0,0|1,0,0]=3 213 B12R1.452 COC1=CC(Cl)=C(C(=O)O)N=C1 CS-0186810 [0,2,0,0,0,0|1,0,0]=3 214 B12R1.452 COC1=CC=C([C@@H](C)O)C(Br)=C1 CS-0649742 [0,2,0,0,0,0|1,0,1]=4 215 B12R1.452 COC1=CC=C([C@@H](C)O)C(F)=C1 CS-0266864 [0,2,0,0,0,0|1,0,1]=4 216 B12R1.452 COC1=CN=C(C(=O)O)C(Cl)=N1 CS-0836011 [0,2,0,0,0,0|2,0,0]=4 217 B12R1.452 COC1=CN=C(C(=O)O)C(N)=C1 CS-0094254 [0,2,0,0,0,0|1,0,0]=3 218 B12R1.452 COC1=NC(N)=C(C(=O)O)C=C1 CS-0150241 [0,2,0,0,0,0|1,0,0]=3 219 B12R1.452 COC1=NC(N)=C(C(=O)O)N=C1 CS-0199608 [0,2,0,0,0,0|2,0,0]=4 220 B12R1.452 N#CC1=CC=C(C(=O)O)C(N)=C1 CS-0102040 [0,2,0,0,0,0|1,0,0]=3 221 B12R1.9 CC1=CC=C(S(=O)(=O)O[Ag])C=C1 CS-0085621 [0,2,0,0,0,0|2,0,0]=4 222 B12R1.23 CS(=O)(=O)C1=CC(N)=C(O)C=C1 CS-W016855 [0,2,0,0,0,0|1,0,1]=4 223 B12R1.23 CS(=O)(=O)C1=CC=C(O)C(Br)=C1 CS-0435064 [0,2,0,0,0,0|1,0,1]=4 224 B12R1.56 C#CC1=CC(C(=O)O)=CC=C1Cl CS-0609314 [0,2,0,0,0,0|1,0,0]=3 225 B12R1.56 CC(=O)C1=CC=C(Br)C(C=O)=C1 CS-0370564 [0,2,0,0,0,0|2,0,0]=4 226 B12R1.56 CC1=CC=C(C(=O)O)C=C1CN CS-0774295 [0,2,0,0,0,0|1,0,0]=3 227 B12R1.232 CC(=O)C1=C(F)C=C(O)C(Br)=C1 CS-0950849 [0,2,0,0,0,0|1,0,0]=3 228 B12R1.232 CC(=O)C1=CC(Br)=C(F)C=C1N CS-0371925 [0,2,0,0,0,0|2,0,0]=4 229 B12R1.232 CC(=O)C1=CC(C)=C(Br)C=C1O CS-0356571 [0,2,0,0,0,0|2,0,0]=4 230 B12R1.232 CC1=CC(O)=C(F)C=C1[N+](=O)[O-] CS-0542086 [0,2,0,0,0,0|1,0,1]=4 231 B12R1.232 CC1=CC(O)=C(O)C=C1[N+](=O)[O-] CS-0454948 [0,2,0,0,0,0|1,0,1]=4 232 B12R1.232 NC(=O)C1=CC(F)=C(F)C=C1N CS-0226691 [0,2,0,0,0,0|2,0,0]=4 233 B12R1.232 NC1=CC(Br)=C(Br)C=C1C(=O)O CS-0028798 [0,2,0,0,0,0|1,0,0]=3 234 B12R1.232 O=C(O)C1=CC(Cl)=C(F)C=C1Cl CS-0566239 [0,2,0,0,0,0|1,0,0]=3 235 B12R1.367 COC(=O)C1=CC(Cl)=C(C)N=C1 CS-0774343 [0,2,0,0,0,0|2,0,0]=4 236 B12R1.367 COC(=O)C1=CC(O)=C(Br)N=C1 CS-0568368 [0,2,0,0,0,0|2,0,0]=4 237 B12R1.367 COC(=O)C1=CC=C(Cl)C(C)=C1 CS-0131366 [0,2,0,0,0,0|1,0,0]=3 238 B12R1.367 COC(=O)C1=CN=C(Br)C(N)=C1 CS-0542368 [0,2,0,0,0,0|2,0,0]=4 239 B12R1.367 COC(=O)C1=CN=C(O)C(C)=C1 CS-0454754 [0,2,0,0,0,0|1,0,0]=3 240 B12R1.367 COC(=O)C1=NC(Br)=C(N)C=C1 CS-0144814 [0,2,0,0,0,0|2,0,0]=4 241 B12R1.367 COC(=O)C1=NC(Cl)=C(O)C=C1 CS-0534528 [0,2,0,0,0,0|1,0,0]=3 242 B12R1.367 COC(=O)C1=NC=C(N)C(N)=C1 CS-W022841 [0,2,0,0,0,0|2,0,0]=4 243 B12R1.367 NCC(=O)C1=CC=C(O)C(O)=C1 CS-0379782 [0,2,0,0,0,0|1,0,0]=3 244 B12R1.367 O=C(CBr)C1=CC(Cl)=C(Cl)C=C1 CS-W004094 [0,2,0,0,0,0|2,0,0]=4 245 B12R1.367 O=C(CCl)C1=CC(O)=C(O)C=C1 CS-W016884 [0,2,0,0,0,0|1,0,0]=3 246 B12R1.367 OCC(O)C1=CC(O)=C(O)C=C1 CS-W010782 [0,2,0,0,0,0|0,0,2]=4 247 B12R1.893 CC(=O)C1=C(F)C(Cl)=C(F)C=C1 CS-0191013 [0,2,0,0,0,0|2,0,0]=4 248 B12R1.893 CC(=O)C1=CC=C(O)C(C)=C1N CS-M0970 [0,2,0,0,0,0|1,0,0]=3 249 B12R1.893 CC(=O)C1=CC=C(O)C(F)=C1F CS-0651582 [0,2,0,0,0,0|1,0,0]=3 250 B12R1.893 CC1=C(Br)C(C(=O)O)=CC=C1F CS-0572378 [0,2,0,0,0,0|1,0,0]=3 251 B12R1.893 CC1=C(Br)C(C)=C(C(=O)O)C=N1 CS-0070292 [0,2,0,0,0,0|2,0,0]=4 252 B12R1.893 CC1=C(F)C(Br)=CC=C1C(=O)O CS-0193094 [0,2,0,0,0,0|1,0,0]=3 253 B12R1.893 NC1=C(C(=O)O)C=NC(Cl)=C1F CS-0343122 [0,2,0,0,0,0|2,0,0]=4 254 B12R1.893 O=C(O)C1=C(Cl)C(F)=C(Cl)C=C1 CS-0193548 [0,2,0,0,0,0|1,0,0]=3 255 B12R1.893 O=C(O)C1=CC=C(Br)C(F)=C1Cl CS-0469598 [0,2,0,0,0,0|1,0,0]=3 256 B12R1.1005 CC1=C(Br)C=C(C(=O)O)C=C1F CS-0186786 [0,2,0,0,0,0|1,0,0]=3 257 B12R1.1005 CC1=C(O)C=C(C(=O)O)C=C1O CS-W017815 [0,2,0,0,0,0|1,0,0]=3 258 B12R1.1005 O=C(O)C1=CC(Cl)=C(F)C(F)=C1 CS-0157721 [0,2,0,0,0,0|1,0,0]=3 259 B12R1.1005 O=C(O)C1=CC(F)=C(F)C(F)=C1 CS-0904350 [0,2,0,0,0,0|1,0,0]=3 260 B12R1.1005 O=C(O)C1=CC(F)=C(O)C(Cl)=C1 CS-0193871 [0,2,0,0,0,0|0,0,0]=2 261 B12R1.16 C=C=CC(=O)C1=CC=C(Br)C=C1 CS-0616894 [0,2,0,0,0,0|2,0,0]=4 262 B12R1.16 C=C=CC(=O)C1=CC=C(C)C=C1 CS-0616892 [0,2,0,0,0,0|2,0,0]=4 263 B12R1.16 C=C=CC(=O)C1=CC=C(Cl)C=C1 CS-0616893 [0,2,0,0,0,0|2,0,0]=4 264 B12R1.16 C=C=CC(=O)C1=CC=C(F)C=C1 CS-0616897 [0,2,0,0,0,0|2,0,0]=4 265 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 CS-0034666 [0,2,0,0,0,0|1,0,0]=3 266 B12R1.16 COCC(=O)C1=CC=C(Br)N=C1 CS-0652330 [0,2,0,0,0,0|2,0,0]=4 267 B12R1.16 N#CCC(=O)C1=CC=C(N)C=C1 CS-0566923 [0,2,0,0,0,0|2,0,0]=4 268 B12R1.1703 CCC(=O)C1=C(Cl)C=C(Br)C=C1 CS-0723684 [0,2,0,0,0,0|2,0,0]=4 269 B12R1.1703 COC(=O)C1=C(C)C=C(C)C=C1 CS-0153337 [0,2,0,0,0,0|1,0,0]=3 270 B12R1.1703 COC(=O)C1=C(Cl)C=C(F)C=N1 CS-0312906 [0,2,0,0,0,0|2,0,0]=4 271 B12R1.1703 COC(=O)C1=CN=C(N)C=C1Cl CS-0160845 [0,2,0,0,0,0|2,0,0]=4 272 B12R1.1703 COC(=O)C1=NC=C(F)C=C1F CS-0147196 [0,2,0,0,0,0|2,0,0]=4 273 B12R1.1703 NNC(=O)C1=CC=C(Cl)C=C1Cl CS-0033723 [0,2,0,0,0,0|2,0,0]=4 274 B12R1.1703 O=C(CBr)C1=C(O)C=C(O)C=C1 CS-0320604 [0,2,0,0,0,0|1,0,0]=3 275 B12R1.57 COC1=C(C(=O)O)C=CC(F)=N1 CS-0469749 [0,2,0,0,0,0|2,0,0]=4 276 B12R1.57 O=[N+]([O-])C1=CC=C(O)C=C1CO CS-W005821 [0,2,0,0,0,0|1,0,1]=4 277 B12R1.1000 CC(=O)C1=C(O)C=C(O)C=C1C CS-0571754 [0,2,0,0,0,0|1,0,0]=3 278 B12R1.1000 CC1=C(C(=O)O)C(I)=CC(Cl)=C1 CS-0613326 [0,2,0,0,0,0|1,0,0]=3 279 B12R1.1000 CC1=C(C(=O)O)C(N)=CC(Br)=C1 CS-0196551 [0,2,0,0,0,0|1,0,0]=3 280 B12R1.1000 CC1=C(C(=O)O)C(O)=CC(Br)=C1 CS-0834248 [0,2,0,0,0,0|1,0,0]=3 281 B12R1.1000 CC1=CC(Cl)=CC(C)=C1C(=O)O CS-0194785 [0,2,0,0,0,0|1,0,0]=3 282 B12R1.1000 NC1=CC(Cl)=NC(Cl)=C1C(=O)O CS-W022067 [0,2,0,0,0,0|2,0,0]=4 283 B12R1.1000 O=C(O)C1=C(F)C=C(O)C=C1F CS-W003008 [0,2,0,0,0,0|0,0,0]=2 284 B12R1.1000 O=C(O)C1=C(I)C=C(Cl)N=C1Cl CS-0134070 [0,2,0,0,0,0|2,0,0]=4 285 B12R1.1000 O=C(O)C1=C(O)C=C(O)C=C1O CS-W016825 [0,2,0,0,0,0|0,0,0]=2 286 B12R2.606 CC1=CC=C2NC(=O)NC2=C1 CS-0045386 [0,0,0,1,0,1|2,0,0]=4 287 B12R2.606 CC1=NC2=C(C=CC(O)=C2)O1 CS-W021726 [0,0,0,1,0,1|2,0,0]=4 288 B12R2.606 O=C1CC2=CC(Br)=CC=C2O1 CS-0309366 [0,0,0,1,0,1|2,0,0]=4 289 B12R2.606 O=C1CC2=CC(Cl)=CC=C2O1 CS-0166883 [0,0,0,1,0,1|2,0,0]=4 290 B12R2.606 OC1=CC=C2N=C(Br)SC2=C1 CS-0019319 [0,0,0,1,0,1|1,1,0]=4 291 B12R2.606 OC1=CC=C2N=C(Cl)NC2=C1 CS-0617857 [0,0,0,1,0,1|2,0,0]=4 292 B12R2.612 O=C1NCC2=CC(I)=CC=C12 CS-0466975 [0,1,0,1,0,0|2,0,0]=4 293 B8R1.1 CC1=CNC(C=O)=C1 CS-0152852 [1,0,0,0,1,0|2,0,0]=4 294 B8R1.1 CC1=COC(C=O)=C1 CS-0055543 [1,0,0,0,1,0|2,0,0]=4 295 B10R1.18 NC(=S)CC1=CC=CC=C1 CS-0206469 [1,0,0,0,0,1|1,1,0]=4 296 B10R1.18 O=C(O)CC1=NC=CC=C1 CS-0096299 [1,0,0,0,0,1|1,0,0]=3 297 B12R1.21 NC(=O)CNC1=CC=C(F)C=C1 CS-0927443 [0,0,0,0,0,2|2,0,0]=4 298 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 CS-0199636 [0,0,0,0,0,2|1,0,0]=3 299 B12R1.21 O=C(O)CCC1=CC=C(Cl)N=C1 CS-0470798 [0,0,0,0,0,2|2,0,0]=4 300 B12R1.21 O=C(O)CCC1=NC=C(Br)C=C1 CS-0590100 [0,0,0,0,0,2|2,0,0]=4 301 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 CS-0201679 [0,0,0,0,0,2|0,0,0]=2 302 B12R1.21 O=C(O)COC1=CN=C(Cl)C=C1 CS-0565814 [0,0,0,0,0,2|2,0,0]=4 303 B12R1.21 O=C(O)COC1=NC=C(Cl)C=C1 CS-0231177 [0,0,0,0,0,2|2,0,0]=4 304 B12R1.21 O=C(O)COC1=NC=C(F)C=C1 CS-0609163 [0,0,0,0,0,2|2,0,0]=4 305 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)N=C1 CS-0368791 [0,0,0,0,0,2|2,0,0]=4 306 B12R1.21 O=C(O)\C=C\C1=CN=C(Cl)C=C1 CS-0211692 [0,0,0,0,0,2|2,0,0]=4