0 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 MO00162 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.13 CC1=NC=C(C(=O)O)N=C1 SB01107 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 SPB06264 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.1 CC1=CC=C(CS)C=C1 TL00457 [1,0,0,0,0,0|1,0,1]=3 4 B9R1.1 COC1=CC=C(I)C=N1 NP43893 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.1 NNC1=CC=C(I)C=C1 RF01374 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.1 O=CC1=CC=C(Br)C=C1 SB01132 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.1 OCC1=CC=C(Cl)C=C1 SB01197 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.6 N=C(N)C1=CC=CC=N1 RF01042 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.6 N=C(N)C1=CC=CN=C1 MO07766 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.6 N=C(N)C1=CC=NC=C1 CD05159 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.6 O=C(O)C1=NC=CC=C1 CC04001 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.3 CC(C)C1=CC=C(C#N)C=C1 SB00932 [0,1,0,0,0,0|0,0,3]=4 13 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 BTB10319 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 NP43106 [0,1,0,0,0,0|1,0,2]=4 15 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 NP43582 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.21 CC1=CC=C(B(O)O)C=C1C AC35928 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.21 NC(=O)C1=CC(Cl)=C(F)C=C1 BTB03706 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 SPB06960 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.22 O=C(CO)C1=CC=C(Br)C=C1 TL00596 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.166 CC(=O)C1=CC=C(N)C=C1O BTB10056 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=C1 TL00910 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.166 CC1=C(C(C)C)C=CC(N)=C1 SB01749 [0,1,0,0,0,0|1,0,2]=4 23 B11R1.166 CC1=CC=C(C(=O)O)C(N)=C1 TL00555 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.166 CC1=CC=C(C(N)=O)C(N)=C1 TL00794 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.166 CC1=NC(Cl)=C(C(N)=O)C=C1 SPB04933 [0,1,0,0,0,0|3,0,0]=4 26 B9R1.35 CC(=O)C1=CC(Br)=CS1 KM10200 [0,0,0,0,1,0|3,0,0]=4 27 B9R1.35 CC1=CC=C(C(=O)Cl)S1 CC65002 [0,0,0,0,1,0|3,0,0]=4 28 B9R1.35 CC1=CSC(C(=O)O)=C1 GK01984 [0,0,0,0,1,0|3,0,0]=4 29 B11R1.20 NC(=S)NC1=CC=C(Cl)C=C1 SPB03349 [0,0,0,0,0,1|3,0,0]=4 30 B8R1.3 CC1=CN=C(O)C=C1 AC35768 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.1 CNCC1=CC=C(Cl)C=C1 MO00897 [1,1,0,0,0,0|1,0,1]=4 32 B10R1.1 OCCC1=CC=C(O)C=C1 SB01196 [1,1,0,0,0,0|1,0,1]=4 33 B10R1.3 C#CC1=CC=C(CC)C=C1 BTB09906 [1,1,0,0,0,0|0,0,2]=4 34 B10R1.3 O=CC1=CC=C(CBr)C=C1 MO07312 [1,1,0,0,0,0|1,0,0]=3 35 B10R1.25 CC1=CC(N)=C(C#N)C=C1 TL00552 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.25 CSC1=C(N)C=C(Cl)C=C1 CD05201 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 TL00917 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.15 N\C(=N/O)C1=CC=CC=C1 RF01827 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.15 O=C(CBr)C1=NC=CC=C1 CC04005 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 CC53628 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.113 CC1=CC=CC(C(=N)N)=C1 SPB08395 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.59 CC(=O)C1=C(C)C=C(C)N1 SEW06333 [0,1,0,0,1,0|2,0,0]=4 43 B12R1.20 CC(=O)N(C)C1=CC=C(N)C=C1 BTB13402 [0,1,0,0,0,1|2,0,0]=4 44 B12R1.233 CC(=O)NC1=CC=C(N)C=C1C BTB06485 [0,1,0,0,0,1|2,0,0]=4 45 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 CD00356 [0,2,0,0,0,0|1,0,0]=3 46 B12R1.5 COC1=CC=C(\C(N)=N\O)C=C1 RH01075 [0,2,0,0,0,0|2,0,0]=4 47 B12R1.113 CCNC1=CC=C(C(=O)O)C=C1 BTB10315 [0,2,0,0,0,0|2,0,0]=4 48 B12R1.367 COC(=O)C1=CC(N)=C(N)C=C1 RDP00052 [0,2,0,0,0,0|2,0,0]=4 49 B12R1.367 COC(=O)C1=CC=C(C)C(Cl)=C1 TL00703 [0,2,0,0,0,0|1,0,0]=3 50 B12R1.1703 CC1=CC(C)=C(C(=O)CBr)C=C1 CD00248 [0,2,0,0,0,0|1,0,0]=3 51 B12R2.606 CC1=CC2=C(C=C1)SC(Br)=C2 MO07070 [0,0,0,1,0,1|1,0,0]=3 52 B12R2.606 CC1=NC2=C(C=C(I)C=C2)S1 CC54711 [0,0,0,1,0,1|2,0,0]=4 53 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 S05248 [0,0,0,1,0,1|2,0,0]=4 54 B12R2.612 CN1C=CC2=C1C=CC(Br)=C2 CC41410 [0,1,0,1,0,0|2,0,0]=4 55 B12R2.612 CN1C=CC2=CC(N)=CC=C21 CC41414 [0,1,0,1,0,0|2,0,0]=4 56 B12R2.612 CN1N=CC2=C1C=CC(N)=C2 NP42952 [0,1,0,1,0,0|2,0,0]=4 57 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 NRB01003 [0,1,0,1,0,0|2,0,0]=4 58 B12R2.612 O=C1COC2=C1C=CC(O)=C2 SEW02738 [0,1,0,1,0,0|2,0,0]=4 59 B10R1.18 NC(N)=NC1=CC=CC=C1 BTB10165 [1,0,0,0,0,1|2,0,0]=4