0 B10R1.58 CC1=C(Br)C=C(C(=O)O)O1 6316515 [0,0,0,0,0,0|1,1,0]=2 1 B10R1.58 CC1=CC(C(=O)O)=NN1C 1055333 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 7014211646 [0,0,0,0,0,0|0,3,0]=3 3 B9R1.35 CC(=O)C1=CC=C(Br)O1 3765393 [1,0,0,0,0,0|1,1,0]=3 4 B9R1.35 CC1=CC(C(=O)O)=NN1 1055332 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.35 CC1=CC(C(=O)O)=NO1 1055331 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.35 CC1=CC(C(=O)O)=NS1 4058296 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.35 CC1=CC=C(C(=O)O)O1 2215003 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.35 CC1=NC=C(C(=O)O)S1 1118927 [1,0,0,0,0,0|2,1,0]=4 9 B9R1.35 CN1C=CC(C(=O)O)=N1 3488437 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.35 N=C(N)C1=CC=C(I)O1 22588247 [1,0,0,0,0,0|2,1,0]=4 11 B9R1.35 NC1=NC(C(=O)O)=CS1 2217365 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.35 O=C(O)C1=CC(Cl)=CS1 3488431 [1,0,0,0,0,0|0,1,0]=2 13 B9R1.35 O=C(O)C1=CC(O)=NN1 6062886 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.35 O=C(O)C1=CC=C(Br)O1 0125160212 [1,0,0,0,0,0|0,1,0]=2 15 B9R1.35 O=C(O)C1=CC=C(Cl)S1 1313196 [1,0,0,0,0,0|0,1,0]=2 16 B9R1.35 O=C(O)C1=CN=C(Br)S1 3488498 [1,0,0,0,0,0|1,2,0]=4 17 B9R1.35 O=C(O)C1=CSC(Br)=N1 1977957 [1,0,0,0,0,0|2,1,0]=4 18 B9R1.35 O=C(O)C1=CSC(Cl)=N1 4813546 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.226 COC(=O)C1=CC(Br)=C(Cl)O1 11639225 [0,1,0,0,0,0|0,1,0]=2 20 B11R1.226 COC(=O)C1=CC(Cl)=C(Cl)O1 11639264 [0,1,0,0,0,0|0,0,0]=1 21 B11R1.21 CC(=O)C1=CC(Cl)=C(Cl)C=C1 0125290200 [0,0,0,0,0,1|2,0,0]=3 22 B11R1.21 CC(=O)C1=CC(O)=C(Cl)C=C1 3674368 [0,0,0,0,0,1|3,0,0]=4 23 B11R1.21 CC(=O)C1=CC=C(Cl)C(N)=C1 1367449 [0,0,0,0,0,1|3,0,0]=4 24 B11R1.21 CC(=O)C1=CC=C(N)C(Cl)=C1 3644604 [0,0,0,0,0,1|3,0,0]=4 25 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 1509557 [0,0,0,0,0,1|3,0,0]=4 26 B11R1.21 CC1=CC=C(C(=O)O)C=C1C 1312864 [0,0,0,0,0,1|3,0,0]=4 27 B11R1.21 CC1=CC=C(C(=O)O)C=C1Cl 1902916 [0,0,0,0,0,1|2,0,0]=3 28 B11R1.21 NC(=O)C1=CC(Cl)=C(Cl)C=C1 1375628 [0,0,0,0,0,1|2,0,0]=3 29 B11R1.21 NC(=S)C1=CC(Cl)=C(Cl)C=C1 7020331336 [0,0,0,0,0,1|2,1,0]=4 30 B11R1.21 NC1=C(F)C=CC(C(=O)O)=C1 6850842 [0,0,0,0,0,1|2,1,0]=4 31 B11R1.21 NC1=CC(C(=O)O)=CC=C1O 1392631 [0,0,0,0,0,1|3,0,0]=4 32 B11R1.21 NC1=CC=C(C(=O)O)C=C1N 1509978 [0,0,0,0,0,1|3,0,0]=4 33 B11R1.21 NC1=CC=C(C(=O)O)C=C1O 1514172 [0,0,0,0,0,1|3,0,0]=4 34 B11R1.21 O=C(O)C1=CC(Br)=C(Cl)C=C1 3337432 [0,0,0,0,0,1|1,1,0]=3 35 B11R1.21 O=C(O)C1=CC(Br)=C(F)C=C1 1312846 [0,0,0,0,0,1|1,2,0]=4 36 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=C1 1051719 [0,0,0,0,0,1|1,0,0]=2 37 B11R1.21 O=C(O)C1=CC=C(F)C(F)=C1 1902328 [0,0,0,0,0,1|1,2,0]=4 38 B11R1.21 O=[N+]([O-])C1=CC(Cl)=C(Cl)C=C1 2957220 [0,0,0,0,0,1|2,0,1]=4 39 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 1902121 [0,0,0,0,0,1|3,0,0]=4 40 B11R1.74 CC1=CC(C)=NC(C(=O)O)=C1 7110952569 [0,0,0,0,0,1|3,0,0]=4 41 B11R1.74 CC1=NC(C(=O)O)=CC(=O)N1 2103915 [0,0,0,0,0,1|3,0,0]=4 42 B11R1.74 O=C(O)C1=CC(Br)=CC(Cl)=C1 3337431 [0,0,0,0,0,1|1,1,0]=3 43 B11R1.74 O=C(O)C1=CC(Cl)=CC(Cl)=C1 1904807 [0,0,0,0,0,1|1,0,0]=2 44 B11R1.74 O=C(O)C1=CC(F)=CC(Br)=C1 3353956 [0,0,0,0,0,1|1,2,0]=4 45 B11R1.74 O=C(O)C1=CC(O)=CC(O)=C1 3585944 [0,0,0,0,0,1|3,0,0]=4 46 B11R1.74 O=C(O)C1=CC(O)=NC(O)=C1 2213754 [0,0,0,0,0,1|3,0,0]=4 47 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 2846777 [0,0,0,0,0,1|3,0,0]=4 48 B8R1.1 CC1=CC=C(C=O)N1 3354275 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.1 O=CC1=CC=C(Cl)O1 1218908 [2,0,0,0,0,0|0,0,0]=2 50 B8R1.1 O=CC1=CC=C(I)O1 7110951013 [2,0,0,0,0,0|0,1,0]=3 51 B8R1.1 OCC1=CC(Cl)=CS1 11165208 [2,0,0,0,0,0|0,1,1]=4 52 B8R1.18 CC1=CC(=O)OC1=O 2825795 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.7 C1=NC(C(=O)O)=CS1 1088027 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.7 CC(=O)C1=CC=CO1 1778595 [2,0,0,0,0,0|1,0,0]=3 55 B8R1.7 CC(=O)C1=CC=CS1 14605036 [2,0,0,0,0,0|1,1,0]=4 56 B8R1.7 O=C(Cl)C1=CC=CO1 1051704 [2,0,0,0,0,0|1,0,0]=3 57 B8R1.7 O=C(Cl)C1=CC=CS1 1051705 [2,0,0,0,0,0|1,1,0]=4 58 B8R1.7 O=C(O)C1=CC=CN1 2825772 [2,0,0,0,0,0|1,0,0]=3 59 B8R1.7 O=C(O)C1=CC=CO1 2825796 [2,0,0,0,0,0|0,0,0]=2 60 B8R1.7 O=C(O)C1=CC=CS1 1509751 [2,0,0,0,0,0|0,1,0]=3 61 B8R1.7 O=C(O)C1=CN=CO1 3488494 [2,0,0,0,0,0|1,0,0]=3 62 B8R1.7 O=C(O)C1=COC=C1 2825797 [2,0,0,0,0,0|2,0,0]=4 63 B8R1.7 O=C(O)C1=CSC=N1 2225865 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.7 O=C(O)C1=NNC=C1 2128182 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.14 COC(=O)C1=CC=C(Br)O1 7214930010 [1,1,0,0,0,0|0,1,0]=3 66 B10R1.14 N\C(=N/O)C1=CC=C(I)O1 15461004 [1,1,0,0,0,0|1,1,0]=4 67 B10R1.14 O=C(CCl)C1=CC=C(Cl)S1 1313202 [1,1,0,0,0,0|1,1,0]=4 68 B10R1.31 N#CC1=CC=C(C(=O)O)O1 1284654 [1,1,0,0,0,0|1,0,0]=3 69 B10R1.31 O=CC1=CC=C(C(=O)O)O1 1888489 [1,1,0,0,0,0|1,0,0]=3 70 B10R1.31 O=CC1=CNC(C(=O)O)=C1 3666900 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.59 CC(=O)C1=C(C)C=C(C)O1 3354795 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.59 CC1=C(C(=O)O)N=C(Cl)S1 6936767 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.59 CC1=C(C(=O)O)SC(Cl)=N1 1056682 [1,1,0,0,0,0|1,1,0]=4 74 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 7118560799 [1,1,0,0,0,0|2,0,0]=4 75 B12R1.48 COC1=COC(C(=O)O)=CC1=O 3463437 [0,1,0,0,0,1|2,0,0]=4 76 B12R1.367 COC(=O)C1=CC(Cl)=C(C)C=C1 22430653 [0,1,0,0,0,1|2,0,0]=4 77 B12R1.367 COC(=O)C1=CC=C(Cl)C(N)=C1 1218539 [0,1,0,0,0,1|2,0,0]=4 78 B12R1.367 NCC(=O)C1=CC(Cl)=C(Cl)C=C1 6595014 [0,1,0,0,0,1|2,0,0]=4 79 B12R1.367 O=C(CBr)C1=CC(Cl)=C(Cl)C=C1 3464025 [0,1,0,0,0,1|2,0,0]=4 80 B12R1.367 O=C(CCl)C1=CC(Cl)=C(Cl)C=C1 1313090 [0,1,0,0,0,1|2,0,0]=4 81 B12R1.893 NC(=O)C1=C(Cl)C(Cl)=C(Cl)C=N1 5110090030 [0,1,0,0,0,1|2,0,0]=4 82 B12R1.11 CCC1=CC(C(=O)O)=CC(Cl)=N1 5815199 [0,1,0,0,0,1|2,0,0]=4 83 B12R1.358 COC(=O)C1=CC(Cl)=CC(Cl)=C1 3041352 [0,1,0,0,0,1|1,0,0]=3 84 B12R1.358 COC(=O)C1=CC(Cl)=NC(Cl)=C1 6902363 [0,1,0,0,0,1|1,0,0]=3 85 B12R1.511 NC1=C(Cl)C=C(Cl)C=C1C(=O)O 1220688 [0,1,0,0,0,1|1,0,0]=3 86 B12R1.111 O=C(O)C1=CC([N+](=O)[O-])=C(Cl)S1 5730446 [0,2,0,0,0,0|1,1,0]=4 87 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 973807 [0,0,1,1,0,0|2,0,0]=4 88 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 2214915 [0,0,1,1,0,0|2,0,0]=4 89 B10R1.113 O=C(O)C1=CC(Cl)=NC=N1 3508030 [0,0,1,1,0,0|2,0,0]=4 90 B10R1.113 O=C(O)C1=NC(Cl)=CC=C1 5110090024 [0,0,1,1,0,0|2,0,0]=4 91 B8R0.2 O=C\C(Cl)=C(/Cl)C(=O)O 3585901 [0,0,1,0,1,0|2,0,0]=4 92 B10R1.8 O=CC1=CC(Cl)=CC(Cl)=C1 1903201 [1,0,0,0,0,1|1,0,0]=3 93 B10R1.8 OCC1=CC(Cl)=CC(Cl)=C1 2049055 [1,0,0,0,0,1|1,0,1]=4 94 B10R1.54 CC1=CC=C(CC(=O)O)O1 2251842 [1,0,0,0,0,1|1,0,0]=3 95 B10R1.54 O=C(O)CC1=CC=C(Br)S1 19767649 [1,0,0,0,0,1|0,2,0]=4