0 B11R1.167 CC(=O)C1=CC(F)=CC=C1O BTB04130 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.167 CC1=C(C(N)=O)C=C(F)C=C1 TL00714 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.167 NC1=CC=C(Br)C=C1[N+](=O)[O-] KM06414 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.167 O=C(Cl)C1=C(Cl)N=CC(Cl)=C1 SPB06842 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.167 O=C(O)C1=C(F)C=CC(F)=N1 MAY00214 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.167 O=[N+]([O-])C1=CC(Br)=CN=C1O SPB06123 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.30 O=CC1=C(I)C=CC(O)=C1 MO07995 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.61 CC(=O)C1=C(C)N=CC=N1 SB01015 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.61 CC1=C(C(=O)O)C=CC=N1 NP39732 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.61 CC1=C(C(=O)O)C=NC=C1 SB01942 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.61 NC1=C(C(=O)O)C=CN=C1 SP00054 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.61 NC1=C(C(=O)O)C=NC=C1 MAY00123 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 NP44172 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.61 O=C(O)C1=CC=NC=C1Br NP44275 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 CC53628 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.113 CC1=CC=CC(C(=N)N)=C1 SPB08395 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 SPB06910 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 SPB06649 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.113 O=C(O)C1=CC=NC(Br)=C1 NP43738 [1,0,0,0,0,0|3,0,0]=4 19 B12R1.128 CC1=CC=C(C)C(S(=O)(=O)Cl)=C1 MO07001 [0,1,0,0,0,0|3,0,0]=4 20 B12R1.354 COC(=O)C1=CC(C)=CC=C1I MAY00280 [0,1,0,0,0,0|1,0,0]=2 21 B12R1.453 O=CC1=CC=C(F)C(C(=O)O)=C1 MO07878 [0,1,0,0,0,0|2,0,1]=4 22 B12R1.511 CC(=O)C1=CC(F)=CC(F)=C1O BTB04131 [0,1,0,0,0,0|1,0,0]=2 23 B12R1.511 NC1=C(C(=O)O)C=C(Br)C=C1Br BTB01924 [0,1,0,0,0,0|3,0,0]=4 24 B12R2.132 CC1=CSC2=C1C=C(Cl)C=C2 MWP00002 [0,0,0,1,0,0|2,1,0]=4 25 B12R2.132 NC1=CC=C2COC(=O)C2=C1 KM08380 [0,0,0,1,0,0|3,0,0]=4 26 B12R2.132 NC1=NOC2=C1C=C(Br)C=C2 MO08226 [0,0,0,1,0,0|3,0,0]=4 27 B12R2.132 OC1=NOC2=C1C=C(Cl)C=C2 RF01279 [0,0,0,1,0,0|2,0,1]=4 28 B10R1.59 CC(=O)C1=C(C)C=C(C)N1 SEW06333 [0,0,0,0,1,0|2,0,0]=3 29 B10R1.59 CC(=O)N1CC(C)=CC1=O BTB09313 [0,0,0,0,1,0|1,0,2]=4 30 B10R1.59 CC1=CC(C(=O)Cl)=C(C)O1 CC01102 [0,0,0,0,1,0|3,0,0]=4 31 B10R1.192 CC1=COC(C)=C1C(=O)Cl CC65802 [0,0,0,0,1,0|3,0,0]=4 32 B10R1.192 CC1=COC(C)=C1C(=O)O CC65801 [0,0,0,0,1,0|3,0,0]=4 33 B12R1.127 CC(=O)NC1=C(C)C=CC(N)=C1 BTB00549 [0,0,0,0,0,1|2,0,0]=3 34 B9R1.2 CC1=CC=CC(CS)=C1 TL00469 [2,0,0,0,0,0|0,1,1]=4 35 B9R1.2 CCC1=CC=CC(Br)=C1 TL00571 [2,0,0,0,0,0|1,0,1]=4 36 B9R1.2 CNC1=CC(Cl)=CC=C1 TL00250 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.2 O=CC1=CC(Br)=NC=C1 NP42975 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.2 O=CC1=CC(Cl)=NC=C1 CC53604 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.2 O=CC1=NC(Br)=CC=C1 MO07535 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.15 O=CC1=CC=NC=C1Br NP39808 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.15 O=CC1=NC=CC=C1F CC30904 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.69 CC1=CC=C(O)C(C)=N1 RH01494 [2,0,0,0,0,0|1,0,0]=3 43 B9R1.6 O=C(O)C1=NC=CC=C1 CC04001 [2,0,0,0,0,0|2,0,0]=4 44 B11R1.8 CC1=CC(Cl)=CC(C=O)=C1O BTB03914 [1,1,0,0,0,0|1,0,0]=3 45 B11R1.8 O=CC1=CC(Br)=CC(Br)=C1O BTB02697 [1,1,0,0,0,0|1,0,0]=3 46 B11R1.53 COC1=NC=CC=C1C(=O)O KM01841 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.156 O=C(Cl)C1=C(Cl)C=CC=C1F SPB06439 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1O BTB10071 [1,1,0,0,0,0|0,0,0]=2 49 B11R1.159 NC1=C(C(=O)O)C=CC=C1Br MO07275 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.166 CC(=O)C1=CC=C(N)C=C1O BTB10056 [1,1,0,0,0,0|0,0,0]=2 51 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=C1 TL00910 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.166 CC1=CC=C(C(=O)O)C(N)=C1 TL00555 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.166 CC1=CC=C(C(N)=O)C(N)=C1 TL00794 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.222 COC(=O)C1=CC=CN=C1N KM07908 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.222 O=C(CBr)C1=CC=CC=C1Cl SPB06335 [1,1,0,0,0,0|1,0,0]=3 56 B11R1.21 NC(=O)C1=CC(Cl)=C(F)C=C1 BTB03706 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.23 O=C(CBr)C1=CC(Cl)=NC=C1 CC53605 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 SPB06322 [1,1,0,0,0,0|1,0,0]=3 59 B11R1.23 O=CC(=O)C1=CC=CC(F)=C1 MAY00104 [1,1,0,0,0,0|1,0,1]=4 60 B11R1.74 CC1=CC(C(=O)O)=CC(O)=N1 MO00027 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.74 CC1=NC(Cl)=CC(C(=O)O)=C1 RF03759 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.74 NC(=O)C1=CC(Br)=CC(Br)=C1 SEW04141 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.74 NC1=CC(O)=CC(C(=O)O)=C1 MO07975 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.266 NC(=O)C1=CC=CC(CCl)=C1 S08130 [1,1,0,0,0,0|1,0,0]=3 65 B11R1.266 O=[N+]([O-])C1=CC=CC(CCl)=C1 SB01266 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.225 COC(=O)C1=C(C)NC(C)=C1 SP00004 [0,1,0,0,1,0|2,0,0]=4 67 B13R1.897 CC1=CC=C(C)C(C(O)C(=O)O)=C1 BTB06663 [0,1,0,0,0,1|2,0,0]=4 68 B13R1.2431 COC1=CC=C(Br)C(C(=O)NN)=C1 BTB06852 [0,2,0,0,0,0|2,0,0]=4 69 B13R1.13 CC(=O)C1=CC=C(O)C(C(N)=O)=C1 SB01472 [0,2,0,0,0,0|1,0,0]=3 70 B11R2.36 BrC1=CC2=C(C=C1)OC=C2 CC07110 [1,0,0,1,0,0|1,0,1]=4 71 B11R2.36 BrC1=CC2=C(C=C1)OCC2 CC00810 [1,0,0,1,0,0|1,0,1]=4 72 B11R2.36 NC1=CC2=C(C=C1)OC=C2 CC07114 [1,0,0,1,0,0|1,0,1]=4 73 B11R2.36 NC1=CC2=C(C=C1)OCC2 NP43803 [1,0,0,1,0,0|1,0,1]=4 74 B11R2.1 BrC1=COC2=C1C=CC=C2 CC27510 [1,0,0,1,0,0|1,0,1]=4 75 B11R2.1 ClC1=NOC2=C1C=CC=C2 MO00450 [1,0,0,1,0,0|2,0,0]=4 76 B11R2.1 OC1=NOC2=C1C=CC=C2 RF01278 [1,0,0,1,0,0|1,0,1]=4 77 B13R2.162 O=C1CCCC2=CC=C(Br)C=C12 MO01275 [0,1,0,1,0,0|2,0,0]=4 78 B13R2.162 O=C1CCSC2=C1C=C(Cl)C=C2 SEW00590 [0,1,0,1,0,0|1,1,0]=4 79 B13R2.162 O=C1CCSC2=C1C=C(F)C=C2 SEW05178 [0,1,0,1,0,0|1,1,0]=4 80 B9R1.22 CC1=CC(C)=C(C=O)N1 CC18004 [1,0,0,0,1,0|2,0,0]=4 81 B9R1.27 CC1=COC(C)=C1C=O CC65804 [1,0,0,0,1,0|2,0,0]=4 82 B9R1.35 CC(=O)C1=CC(Br)=CS1 KM10200 [1,0,0,0,1,0|2,0,0]=4 83 B9R1.35 CC1=CC=C(C(=O)Cl)S1 CC65002 [1,0,0,0,1,0|2,0,0]=4 84 B9R1.35 CC1=CSC(C(=O)O)=C1 GK01984 [1,0,0,0,1,0|2,0,0]=4