0 B10R1.61 CC(=O)C1=C(C)N=CC=N1 SB01015 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.61 CC1=C(C(=O)O)C=CC=N1 NP39732 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.61 CC1=C(C(=O)O)C=NC=C1 SB01942 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.61 NC1=C(C(=O)O)C=CN=C1 SP00054 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.61 NC1=C(C(=O)O)C=NC=C1 MAY00123 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 NP44172 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.61 O=C(O)C1=CC=NC=C1Br NP44275 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.6 N=C(N)C1=CC=CC=N1 RF01042 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.6 N=C(N)C1=CC=CN=C1 MO07766 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.6 N=C(N)C1=CC=NC=C1 CD05159 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.6 O=C(Cl)C1=NC=CN=C1 CC03402 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.6 O=C(O)C1=CN=CN=C1 CC07401 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.6 O=C(O)C1=NC=CC=C1 CC04001 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.15 O=CC1=CC=NC=C1Br NP39808 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.15 O=CC1=NC=CC=C1F CC30904 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.53 COC1=NC=CC=C1C(=O)O KM01841 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.53 COC1=NC=CC=C1[N+](=O)[O-] SPB06058 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.53 CSC1=NC=CC=C1C(=O)O BTB06287 [0,1,0,0,0,0|2,1,0]=4 18 B11R1.53 O=CC1=CC=CC=C1[N+](=O)[O-] SB01264 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.87 NS(=O)(=O)C1=CC=CC=C1Br TL00539 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.87 O=S(=O)(Cl)C1=CC=CC=C1Cl RF02645 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.87 O=S(=O)(Cl)C1=CC=CC=C1F KM01957 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.156 O=C(Cl)C1=C(Cl)C=CC=C1F SPB06439 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1O BTB10071 [0,1,0,0,0,0|1,0,0]=2 24 B11R1.159 NC1=C(C(=O)O)C=CC=C1Br MO07275 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.159 O=C(O)C1=CC=NC(F)=C1F NP44677 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.166 CC(=O)C1=CC=C(N)C=C1O BTB10056 [0,1,0,0,0,0|1,0,0]=2 27 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=C1 TL00910 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.166 CC1=CC=C(C(=O)O)C(N)=C1 TL00555 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.166 CC1=CC=C(C(N)=O)C(N)=C1 TL00794 [0,1,0,0,0,0|1,0,0]=2 30 B11R1.166 CC1=NC(Cl)=C(C(N)=O)C=C1 SPB04933 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.167 CC(=O)C1=CC(F)=CC=C1O BTB04130 [0,1,0,0,0,0|1,0,0]=2 32 B11R1.167 CC1=C(C(N)=O)C=C(F)C=C1 TL00714 [0,1,0,0,0,0|1,0,0]=2 33 B11R1.167 NC1=CC=C(Br)C=C1[N+](=O)[O-] KM06414 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.167 O=C(Cl)C1=C(Cl)N=CC(Cl)=C1 SPB06842 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.167 O=C(O)C1=C(F)C=CC(F)=N1 MAY00214 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.167 O=[N+]([O-])C1=CC(Br)=CN=C1O SPB06123 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.222 CC1=CC=CN=C1\C(N)=N\O MO01289 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.222 COC(=O)C1=CC=CN=C1N KM07908 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.222 O=C(CBr)C1=CC=CC=C1Cl SPB06335 [0,1,0,0,0,0|2,0,0]=3 40 B11R2.1 BrC1=COC2=C1C=CC=C2 CC27510 [0,0,0,1,0,0|2,0,0]=3 41 B11R2.1 ClC1=NOC2=C1C=CC=C2 MO00450 [0,0,0,1,0,0|1,0,1]=3 42 B11R2.1 OC1=NOC2=C1C=CC=C2 RF01278 [0,0,0,1,0,0|0,0,2]=3 43 B9R1.41 O=C(Cl)C1=C(Br)C=CO1 CC67202 [0,0,0,0,1,0|3,0,0]=4 44 B9R1.41 O=C(Cl)C1=C(Cl)C=CS1 GK01307 [0,0,0,0,1,0|3,0,0]=4 45 B9R1.41 O=C(O)C1=C(Br)C=CO1 CC67201 [0,0,0,0,1,0|3,0,0]=4 46 B9R1.41 O=C(O)C1=C(Br)OC=C1 CC64701 [0,0,0,0,1,0|3,0,0]=4 47 B8R1.5 CC1=C(N)C=CC=N1 NP43763 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.5 CC1=CC=CNC1=O CD09405 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 MO00162 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 SPB06264 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.15 N\C(=N/O)C1=CC=CC=C1 RF01827 [1,1,0,0,0,0|0,0,1]=3 52 B10R1.15 N\C(=N/O)C1=CC=CN=C1 S01204 [1,1,0,0,0,0|1,0,1]=4 53 B10R1.15 O=C(CBr)C1=NC=CC=C1 CC04005 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 CC53628 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.113 CC1=CC=CC(C(=N)N)=C1 SPB08395 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 SPB06910 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 SPB06649 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.113 O=C(O)C1=CC=NC(Br)=C1 NP43738 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.20 CSC1=C(CN)C=CC=C1 KM09736 [1,1,0,0,0,0|0,1,1]=4 60 B10R1.25 CC1=CC(Cl)=CC=C1NN SB01504 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.25 NNC1=CC=C(Cl)C=C1Cl BTB07732 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.30 O=CC1=C(I)C=CC(O)=C1 MO07995 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.245 NNC1=C(Cl)C=CC=C1Cl BTB08663 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.39 COC1=C(C(=O)O)SC=C1 CC68601 [0,1,0,0,1,0|2,0,0]=4 65 B10R1.149 COC(=O)C1=C(O)C=CS1 SB01952 [0,1,0,0,1,0|2,0,0]=4 66 B12R1.127 CC(=O)NC1=C(C)C=CC(N)=C1 BTB00549 [0,1,0,0,0,1|2,0,0]=4 67 B12R1.233 CC(=O)NC1=CC=C(N)C=C1C BTB06485 [0,1,0,0,0,1|2,0,0]=4 68 B12R1.371 O=C(CBr)NC1=CC=CC=C1Cl SPB05477 [0,1,0,0,0,1|2,0,0]=4 69 B12R1.371 O=C(CCl)NC1=C(Cl)C=CC=C1 KM02680 [0,1,0,0,0,1|2,0,0]=4 70 B12R1.1009 N=C(N)CC1=C(Cl)C=CC=C1Cl SPB00311 [0,1,0,0,0,1|2,0,0]=4 71 B12R1.77 COC(=O)C1=C(C=O)C=CC=C1 TL00698 [0,2,0,0,0,0|1,0,1]=4 72 B12R1.283 CCSC1=NC=CC=C1C(N)=O BTB06390 [0,2,0,0,0,0|1,1,0]=4 73 B12R1.24 COC(=O)C1=C(O)C(N)=CC=C1 MAY00290 [0,2,0,0,0,0|1,0,0]=3 74 B12R1.24 N\C(=N/O)C1=C(Cl)C(Cl)=CC=C1 SPB01106 [0,2,0,0,0,0|1,0,1]=4 75 B12R1.511 CC(=O)C1=CC(F)=CC(F)=C1O BTB04131 [0,2,0,0,0,0|1,0,0]=3 76 B12R1.511 NC1=C(C(=O)O)C=C(Br)C=C1Br BTB01924 [0,2,0,0,0,0|2,0,0]=4 77 B12R1.1703 CC1=CC(C)=C(C(=O)CBr)C=C1 CD00248 [0,2,0,0,0,0|2,0,0]=4 78 B12R1.354 COC(=O)C1=CC(C)=CC=C1I MAY00280 [0,2,0,0,0,0|2,0,0]=4 79 B12R1.453 O=CC1=CC=C(F)C(C(=O)O)=C1 MO07878 [0,2,0,0,0,0|2,0,0]=4 80 B10R1.66 CC(=O)\C=C\C1=CC=CO1 CD11326 [0,0,1,1,0,0|1,0,0]=3 81 B10R2.7 C1=CC2=C(C=C1)OCO2 SB00944 [1,0,0,1,0,0|2,0,0]=4 82 B12R2.24 NC1=CC2=CC=CC=C2C=N1 BTB10019 [0,0,0,1,0,1|2,0,0]=4 83 B12R2.2028 CN1N=C(N)C2=CC=CC=C21 NP43572 [0,1,0,1,0,0|2,0,0]=4 84 B12R2.203 NC1=NNC2=C1C(I)=CC=C2 NP43575 [0,1,0,1,0,0|2,0,0]=4 85 B12R2.196 CC1=CC=CC2=C1ON=C2O RF03630 [0,1,0,1,0,0|0,0,2]=4 86 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 NRB01003 [0,1,0,1,0,0|2,0,0]=4 87 B12R2.612 O=C1COC2=C1C=CC(O)=C2 SEW02738 [0,1,0,1,0,0|1,0,0]=3 88 B12R2.132 NC1=CC=C2COC(=O)C2=C1 KM08380 [0,1,0,1,0,0|2,0,0]=4 89 B12R2.132 NC1=NNC2=CC=C(I)C=C21 NP43580 [0,1,0,1,0,0|2,0,0]=4 90 B12R2.132 NC1=NOC2=C1C=C(Br)C=C2 MO08226 [0,1,0,1,0,0|1,0,0]=3 91 B12R2.132 OC1=NOC2=C1C=C(Cl)C=C2 RF01279 [0,1,0,1,0,0|0,0,2]=4 92 B12R2.1 NCC1=CSC2=C1C=CC=C2 CC12313 [0,1,0,1,0,0|1,1,0]=4 93 B8R1.7 N=C(N)C1=COC=C1 MO00101 [1,0,0,0,1,0|2,0,0]=4 94 B8R1.7 NC(=S)C1=COC=C1 MO00105 [1,0,0,0,1,0|1,1,0]=4 95 B8R1.7 O=C(O)C1=CSC=C1 CC13101 [1,0,0,0,1,0|2,0,0]=4 96 B8R1.11 CC1=C(C=O)C=CO1 CC55404 [1,0,0,0,1,0|2,0,0]=4 97 B8R1.11 O=CC1=C(Br)C=CS1 SEW01928 [1,0,0,0,1,0|2,0,0]=4 98 B8R1.11 O=CC1=C(Br)SC=C1 CC56604 [1,0,0,0,1,0|2,0,0]=4 99 B8R1.11 O=CC1=C(Cl)C=CS1 SEW06567 [1,0,0,0,1,0|2,0,0]=4 100 B12R1.125 CC(=O)\C=C\C1=CC=CC=C1Cl KM04159 [0,0,0,0,0,2|2,0,0]=4 101 B12R1.125 N=C(N)COC1=CC=CC=C1Cl SPB05621 [0,0,0,0,0,2|2,0,0]=4