0 B9R1.35 CC1=NN(C(N)=O)C=C1 16678 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.1 CC1=CC(CO)=NN1 19867 [1,0,0,0,0,0|2,0,1]=4 2 B8R1.7 NC(=O)C1=CC=CO1 16899 [1,0,0,0,0,0|3,0,0]=4 3 B8R1.7 O=C(O)C1=CN=CN1 21322 [1,0,0,0,0,0|2,0,0]=3 4 B8R1.7 O=C(O)C1=CNN=C1 21414 [1,0,0,0,0,0|2,0,0]=3 5 B8R1.7 O=C(O)C1=CSC=C1 1212 [1,0,0,0,0,0|0,0,0]=1 6 B10R1.14 COC(=O)C1=CC(C)=NN1 16675 [0,1,0,0,0,0|2,0,0]=3 7 B10R1.14 COC(=O)C1=NNC(C)=C1 19851 [0,1,0,0,0,0|2,0,0]=3 8 B10R1.14 COC(=O)N1=CC=C(C)N1 16785 [0,1,0,0,0,0|3,0,0]=4 9 B10R1.14 COC(=O)N1C=CC(C)=N1 16687 [0,1,0,0,0,0|3,0,0]=4 10 B10R1.194 O=C(O)C1=CSC(Cl)=C1Cl 1211 [0,1,0,0,0,0|1,0,0]=2 11 B10R1.13 CC1=CC=C(C(=O)O)C=C1 15778 [0,0,0,0,0,1|1,0,0]=2 12 B10R1.13 NC(=O)C1=CC=C(Cl)N=C1 20768 [0,0,0,0,0,1|3,0,0]=4 13 B10R1.13 O=C(O)C1=CC=C(F)C=C1 101191 [0,0,0,0,0,1|2,0,0]=3 14 B10R1.13 O=C(O)C1=CC=C(F)C=N1 100749 [0,0,0,0,0,1|2,0,0]=3 15 B10R1.13 O=C(O)C1=CC=C(O)C=C1 15302 [0,0,0,0,0,1|2,0,0]=3 16 B10R1.13 O=C(O)C1=CN=C(F)C=C1 100678 [0,0,0,0,0,1|2,0,0]=3 17 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 101615 [0,0,0,0,0,1|2,0,0]=3 18 B10R1.113 C[N+]1=CC(C(N)=O)=CC=C1 15663 [0,0,0,0,0,1|3,0,0]=4 19 B10R1.113 NC(=O)C1=CC=CC(F)=C1 102469 [0,0,0,0,0,1|3,0,0]=4 20 B10R1.113 O=C(O)C1=CC(F)=NC=C1 100685 [0,0,0,0,0,1|2,0,0]=3 21 B10R1.113 O=C(O)C1=CC(O)=CC=C1 18167 [0,0,0,0,0,1|2,0,0]=3 22 B10R1.113 O=C(O)C1=CC=CC(F)=N1 100675 [0,0,0,0,0,1|3,0,0]=4 23 B10R1.113 O=C(O)C1=CN=CC(F)=C1 100682 [0,0,0,0,0,1|2,0,0]=3 24 B7R0.4 CCO\C=C\C(=O)O 103160 [1,0,1,0,0,0|0,1,1]=4 25 B7R0.5 CO\C=C(/C)C(=O)O 101484 [1,0,1,0,0,0|0,1,1]=4 26 B7R0.5 CO\C=C(\F)C(=O)O 102681 [1,0,1,0,0,0|1,1,0]=4 27 B7R0.6 CC(C)=CCC(=O)O 16792 [1,0,1,0,0,0|0,0,2]=4 28 B7R0.6 CC(C)\C=C\C(=O)O 16790 [1,0,1,0,0,0|0,0,2]=4 29 B7R0.6 O=C(O)\C=C\C(=O)O 20756 [1,0,1,0,0,0|1,1,0]=4 30 B7R1.1 C[Se]C1=CSC=C1 19191 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.7 C(=N/O)C1=CC=C(C)O1 19588 [1,1,0,0,0,0|2,0,0]=4 32 B9R1.11 COC(=O)C1=CSN=N1 10109 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 17245 [0,1,0,0,0,1|2,0,0]=4 34 B11R1.3 O=C(Cl)C1=CC=C(CBr)C=C1 22026 [0,1,0,0,0,1|2,0,0]=4 35 B11R1.3 O=C(O)C1=CC=C([Hg]Cl)C=C1 20772 [0,1,0,0,0,1|2,0,0]=4 36 B11R1.21 O=C(O)C1=CC=C(Cl)C(F)=N1 100669 [0,1,0,0,0,1|2,0,0]=4 37 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=N1 100748 [0,1,0,0,0,1|2,0,0]=4 38 B11R1.21 O=C(O)C1=CC=C(F)C(F)=N1 100666 [0,1,0,0,0,1|2,0,0]=4 39 B11R1.21 O=C(O)C1=CC=C(O)C(O)=C1 21496 [0,1,0,0,0,1|2,0,0]=4 40 B11R1.21 O=C(O)C1=CN=C(F)C(F)=C1 100661 [0,1,0,0,0,1|2,0,0]=4 41 B11R1.166 CC1=CC(F)=C(C(=O)O)C=C1 102172 [0,1,0,0,0,1|1,0,0]=3 42 B11R1.166 CC1=CC=C(C(=O)Cl)C(C)=C1 16799 [0,1,0,0,0,1|2,0,0]=4 43 B11R1.166 CC1=CC=C(C(=O)O)C(C)=C1 15222 [0,1,0,0,0,1|1,0,0]=3 44 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=N1 100668 [0,1,0,0,0,1|2,0,0]=4 45 B11R1.166 O=C(O)C1=C(F)C=C(Br)C=C1 101300 [0,1,0,0,0,1|2,0,0]=4 46 B11R1.166 O=C(O)C1=C(F)C=C(Cl)C=N1 100667 [0,1,0,0,0,1|2,0,0]=4 47 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 101178 [0,1,0,0,0,1|2,0,0]=4 48 B11R1.166 O=C(O)C1=CC=C(Cl)C=C1O 101171 [0,1,0,0,0,1|2,0,0]=4 49 B11R1.166 O=C(O)C1=CC=C(F)C=C1F 102048 [0,1,0,0,0,1|2,0,0]=4 50 B11R1.166 O=C(O)C1=CC=C(F)N=C1F 100238 [0,1,0,0,0,1|2,0,0]=4 51 B11R1.166 O=C(O)C1=CC=C(I)C=C1F 102972 [0,1,0,0,0,1|2,0,0]=4 52 B11R1.166 O=C(O)C1=CC=C(O)C=C1Cl 101155 [0,1,0,0,0,1|2,0,0]=4 53 B11R1.166 O=C(O)C1=CC=C(O)C=C1F 101158 [0,1,0,0,0,1|2,0,0]=4 54 B11R1.166 O=C(O)C1=CN=C(F)C=C1F 100664 [0,1,0,0,0,1|2,0,0]=4 55 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Cl 100084 [0,1,0,0,0,1|2,0,0]=4 56 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 17345 [0,1,0,0,0,1|1,0,0]=3 57 B11R1.74 O=C(O)C1=CC(Br)=CC(F)=C1 101317 [0,1,0,0,0,1|2,0,0]=4 58 B11R1.74 O=C(O)C1=CC(Br)=NC(Br)=C1 101310 [0,1,0,0,0,1|2,0,0]=4 59 B11R1.74 O=C(O)C1=CC(F)=CC(F)=N1 100663 [0,1,0,0,0,1|2,0,0]=4 60 B11R1.74 O=C(O)C1=CC(F)=NC(F)=C1 100252 [0,1,0,0,0,1|2,0,0]=4 61 B11R1.74 O=C(O)C1=CC(O)=CC(F)=C1 101154 [0,1,0,0,0,1|2,0,0]=4 62 B11R1.159 CC1=CC=CC(C(=O)O)=C1F 102174 [0,1,0,0,0,1|1,0,0]=3 63 B11R1.159 O=C(O)C1=C(Br)C(Br)=CC=C1 101413 [0,1,0,0,0,1|2,0,0]=4 64 B11R1.159 O=C(O)C1=C(Br)C(Cl)=CC=C1 101444 [0,1,0,0,0,1|2,0,0]=4 65 B11R1.159 O=C(O)C1=C(Cl)C(Br)=CC=C1 101408 [0,1,0,0,0,1|2,0,0]=4 66 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=CC=C1 100024 [0,1,0,0,0,1|2,0,0]=4 67 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=CN=C1 100060 [0,1,0,0,0,1|2,0,0]=4 68 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=NC=C1 100057 [0,1,0,0,0,1|2,0,0]=4 69 B11R1.159 O=C(O)C1=C(Cl)C(F)=NC=C1 100671 [0,1,0,0,0,1|2,0,0]=4 70 B11R1.159 O=C(O)C1=C(Cl)C(O)=CC=C1 101185 [0,1,0,0,0,1|2,0,0]=4 71 B11R1.159 O=C(O)C1=C(F)C(Br)=CC=C1 101424 [0,1,0,0,0,1|2,0,0]=4 72 B11R1.159 O=C(O)C1=C(F)C(Cl)=CC=C1 101433 [0,1,0,0,0,1|2,0,0]=4 73 B11R1.159 O=C(O)C1=C(F)C(Cl)=CC=N1 100672 [0,1,0,0,0,1|2,0,0]=4 74 B11R1.159 O=C(O)C1=C(F)C(F)=CC=C1 102969 [0,1,0,0,0,1|2,0,0]=4 75 B11R1.159 O=C(O)C1=C(F)C(F)=NC=C1 100659 [0,1,0,0,0,1|2,0,0]=4 76 B11R1.159 O=C(O)C1=C(F)C(I)=CC=C1 101422 [0,1,0,0,0,1|2,0,0]=4 77 B11R1.159 O=C(O)C1=C(F)C(O)=CC=C1 101159 [0,1,0,0,0,1|2,0,0]=4 78 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1O 101176 [0,1,0,0,0,1|2,0,0]=4 79 B11R1.159 O=C(O)C1=CC=CC(F)=C1O 101153 [0,1,0,0,0,1|2,0,0]=4 80 B11R1.159 O=C(O)C1=CN=CC(F)=C1Cl 100680 [0,1,0,0,0,1|2,0,0]=4 81 B11R1.159 O=C(O)C1=NC=CC(Cl)=C1Cl 100083 [0,1,0,0,0,1|2,0,0]=4 82 B11R1.159 [NH3+]C1=C(O)C(C(=O)O)=CC=C1 102477 [0,1,0,0,0,1|2,0,0]=4 83 B11R1.167 CC1=CC=C(C)C(C(=O)O)=C1 16548 [0,1,0,0,0,1|1,0,0]=3 84 B11R1.167 CC1=CC=C(Cl)C=C1C(=O)O 101186 [0,1,0,0,0,1|2,0,0]=4 85 B11R1.167 CC1=CC=C(F)C(C(=O)O)=C1 102177 [0,1,0,0,0,1|1,0,0]=3 86 B11R1.167 O=C(O)C1=C(Br)C=CC(Br)=C1 101414 [0,1,0,0,0,1|2,0,0]=4 87 B11R1.167 O=C(O)C1=C(Br)C=CC(I)=C1 101409 [0,1,0,0,0,1|2,0,0]=4 88 B11R1.167 O=C(O)C1=C(Cl)C=CC(Br)=C1 101410 [0,1,0,0,0,1|2,0,0]=4 89 B11R1.167 O=C(O)C1=C(Cl)C=CC(I)=C1 101412 [0,1,0,0,0,1|2,0,0]=4 90 B11R1.167 O=C(O)C1=C(F)C=CC(I)=C1 101442 [0,1,0,0,0,1|2,0,0]=4 91 B11R1.167 O=C(O)C1=C(F)N=CC(F)=C1 100662 [0,1,0,0,0,1|2,0,0]=4 92 B11R1.167 O=C(O)C1=C(O)C=CC(F)=C1 101177 [0,1,0,0,0,1|2,0,0]=4 93 B11R1.167 O=C(O)C1=CC(Br)=CC=C1F 101425 [0,1,0,0,0,1|2,0,0]=4 94 B11R1.167 O=C(O)C1=CC(Cl)=CC=C1Cl 100013 [0,1,0,0,0,1|2,0,0]=4 95 B11R1.167 O=C(O)C1=CC(Cl)=CC=C1F 100049 [0,1,0,0,0,1|2,0,0]=4 96 B11R1.167 O=C(O)C1=CC(Cl)=CC=C1O 101157 [0,1,0,0,0,1|2,0,0]=4 97 B11R1.167 O=C(O)C1=CC(Cl)=NC=C1Cl 100059 [0,1,0,0,0,1|2,0,0]=4 98 B11R1.167 O=C(O)C1=CC(F)=CC=C1F 100037 [0,1,0,0,0,1|2,0,0]=4 99 B11R1.167 O=C(O)C1=CC(F)=NC=C1F 100660 [0,1,0,0,0,1|2,0,0]=4 100 B11R1.167 O=C(O)C1=CC(O)=CC=C1Cl 101156 [0,1,0,0,0,1|2,0,0]=4 101 B11R1.167 O=C(O)C1=CC(O)=CC=C1F 101189 [0,1,0,0,0,1|2,0,0]=4 102 B11R1.266 COC1=CC=CC(C(=O)O)=C1 18168 [0,1,0,0,0,1|1,0,0]=3 103 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 21793 [0,1,0,0,0,1|1,0,0]=3 104 B11R1.15 CCOC(=O)C1=CC(C)=NN1 16715 [0,2,0,0,0,0|2,0,0]=4 105 B11R1.15 CCOC(=O)C1=CSC(C)=N1 460 [0,2,0,0,0,0|1,0,0]=3 106 B11R1.15 CCOC(=O)C1=NNC(C)=C1 19853 [0,2,0,0,0,0|2,0,0]=4 107 B11R1.226 COC(=O)C1=NN(C)C(C)=C1 19858 [0,2,0,0,0,0|2,0,0]=4 108 B11R1.124 CCCC1=NNC(C(=O)O)=C1 18651 [0,2,0,0,0,0|2,0,0]=4 109 B9R1.6 O=C(O)C1=CC=CC=C1 15736 [0,0,1,1,0,0|1,0,1]=4 110 B9R1.6 O=C(O)C1=CC=CN=C1 20778 [0,0,1,1,0,0|1,0,1]=4 111 B11R2.363 CC1=CC=C2C(=O)CC2=C1 16221 [0,0,0,1,0,1|2,0,0]=4 112 B11R2.104 CC1=C2CC(=O)C2=CC=C1 16220 [0,0,0,1,0,1|2,0,0]=4 113 B11R2.117 CC1=CC=C2CC(=O)C2=C1 16222 [0,0,0,1,0,1|2,0,0]=4 114 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 102171 [0,0,0,0,0,2|2,0,0]=4 115 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 20773 [0,0,0,0,0,2|2,0,0]=4 116 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 102173 [0,0,0,0,0,2|2,0,0]=4 117 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 102158 [0,0,0,0,0,2|2,0,0]=4 118 B11R1.157 O=C(O)CC1=CC=CC(F)=C1 102175 [0,0,0,0,0,2|2,0,0]=4