0 B12R2.24 CC1=CC=C2C=CC=CC2=C1 C14098 [0,0,0,0,0,0|2,0,2]=4 1 B12R2.24 NC1=CC=C2C=CC=CC2=C1 C02227 [0,0,0,0,0,0|2,0,2]=4 2 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 C06415 [0,0,0,0,0,0|1,0,2]=3 3 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 C05851 [0,0,0,0,0,0|0,0,2]=2 4 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 C07728 [0,0,0,0,0,0|2,0,0]=2 5 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 C02274 [0,0,0,0,0,0|0,0,0]=0 6 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 C11713 [0,0,0,0,0,0|1,0,3]=4 7 B12R2.24 OC1=NC2=C(C=CC=C2)C=C1 C06338 [0,0,0,0,0,0|1,0,3]=4 8 B11R2.20 C1=CC2=C(C=C1)C=CC=C2 C00829 [1,0,0,0,0,0|1,0,2]=4 9 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 C06323 [1,0,0,0,0,0|2,0,1]=4 10 B11R2.20 C1=CC2=C(C=C1)N=CC=C2 C06413 [1,0,0,0,0,0|1,0,2]=4 11 B11R2.20 C1=CC2=NC=CN=C2C=C1 C18575 [1,0,0,0,0,0|2,0,1]=4 12 B11R2.20 C1=CC=C2CCCCC2=C1 C14114 [1,0,0,0,0,0|1,0,1]=3 13 B13R2.32 O=C1C=CC2=CC=CC=C2C1=O C14783 [0,1,0,0,0,0|1,0,2]=4 14 B13R2.57 C(=O)C1=CC=C2C=CC=CC2=C1 C14099 [0,1,0,0,0,0|1,0,2]=4 15 B13R2.155 O=C1C=CC2=C(C=C(O)C=C2)O1 C09315 [0,1,0,0,0,0|0,0,2]=3 16 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)N1 C16716 [0,1,0,0,0,0|1,0,2]=4 17 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 C20414 [0,1,0,0,0,0|0,0,2]=3 18 B13R2.369 O=C1NC2=C(C=CC=C2)OC1O C15769 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.41 O=CNC1=C(C=O)C=CC=C1 C03574 [0,0,1,0,0,0|2,0,1]=4 20 B11R1.86 CC(=O)NC1=C(Cl)C=CC=C1 C14619 [0,0,1,0,0,0|2,0,0]=3 21 B11R1.86 O=C(O)CC1=CC=CC=C1O C05852 [0,0,1,0,0,0|3,0,0]=4 22 B11R1.91 CC(=O)OCC1=CC=CC=C1 C15513 [0,0,1,0,0,0|2,0,0]=3 23 B11R1.91 CC(=O)ONC1=CC=CC=C1 C02709 [0,0,1,0,0,0|3,0,0]=4 24 B11R1.91 CC(=O)O[Hg]C1=CC=CC=C1 C11151 [0,0,1,0,0,0|3,0,0]=4 25 B11R1.91 NC(=O)NNC1=CC=CC=C1 C19498 [0,0,1,0,0,0|3,0,0]=4 26 B11R1.91 O=C(O)CCC1=CC=CC=C1 C05629 [0,0,1,0,0,0|0,0,0]=1 27 B11R1.91 O=C(O)COC1=CC=CC=C1 C02181 [0,0,1,0,0,0|1,0,0]=2 28 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 C00423 [0,0,1,0,0,0|0,0,2]=3 29 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 C10438 [0,0,1,0,0,0|0,0,2]=3 30 B11R1.91 [O-]\[N+](O)=C\CC1=CC=CC=C1 C21623 [0,0,1,0,0,0|1,0,2]=4 31 B11R2.1 CC1=CNC2=C1C=CC=C2 C08313 [0,0,0,0,1,0|2,0,1]=4 32 B11R2.1 NC1=CNC2=CC=CC=C12 C01819 [0,0,0,0,1,0|2,0,1]=4 33 B11R2.1 O=C1CCC2=C1C=CC=C2 C01504 [0,0,0,0,1,0|0,0,0]=1 34 B11R2.1 OC1=CNC2=CC=CC=C12 C05658 [0,0,0,0,1,0|1,0,2]=4 35 B11R2.1 OC1CCC2=C1C=CC=C2 C01710 [0,0,0,0,1,0|0,0,2]=3 36 B11R2.10 NC1=NC2=C(C=CC=C2)N1 C10901 [0,0,0,0,1,0|3,0,0]=4 37 B11R2.10 O=C1CC2=C(C=CC=C2)N1 C12312 [0,0,0,0,1,0|1,0,0]=2 38 B11R2.10 O=C1CC2=CC=CC=C2C1 C07727 [0,0,0,0,1,0|1,0,0]=2 39 B11R2.10 SC1=NC2=C(C=CC=C2)S1 C14437 [0,0,0,0,1,0|1,2,0]=4 40 B10R1.17 CCCCC1=CC=CC=C1 C18150 [1,0,1,0,0,0|1,0,1]=4 41 B10R1.17 NNCCC1=CC=CC=C1 C07430 [1,0,1,0,0,0|2,0,0]=4 42 B10R1.17 NNCCC1=CC=CC=C1 C07431 [1,0,1,0,0,0|2,0,0]=4 43 B10R1.17 O=CNCC1=CC=CC=C1 C15561 [1,0,1,0,0,0|1,0,0]=3 44 B10R1.17 O=COCC1=CC=CC=C1 C05613 [1,0,1,0,0,0|1,0,0]=3 45 B10R1.17 O=C\C=C\C1=CC=CC=C1 C00903 [1,0,1,0,0,0|0,0,2]=4 46 B10R1.17 OC\C=C\C1=CC=CC=C1 C02394 [1,0,1,0,0,0|2,0,0]=4 47 B10R1.17 O\N=C/CC1=CC=CC=C1 C16075 [1,0,1,0,0,0|1,0,1]=4 48 B10R1.17 O\N=C\CC1=CC=CC=C1 C19714 [1,0,1,0,0,0|1,0,1]=4 49 B10R1.18 CC(=O)CC1=CC=CC=C1 C15512 [1,0,1,0,0,0|1,0,0]=3 50 B10R1.18 CC(=O)NC1=CC=CC=C1 C07565 [1,0,1,0,0,0|1,0,0]=3 51 B10R1.18 CC(=O)OC1=CC=CC=C1 C00548 [1,0,1,0,0,0|0,0,0]=2 52 B10R1.18 CC(=O)OC1=CC=CC=C1 C15583 [1,0,1,0,0,0|0,0,0]=2 53 B10R1.18 NC(=O)CC1=CC=CC=C1 C02505 [1,0,1,0,0,0|2,0,0]=4 54 B10R1.18 O=C(O)CC1=CC=CC=C1 C07086 [1,0,1,0,0,0|2,0,0]=4 55 B10R1.18 [*]C(=O)NC1=CC=CC=C1 C00484 [1,0,1,0,0,0|2,0,0]=4 56 B10R1.18 [*]C(=O)NC1=CC=CC=C1 C01402 [1,0,1,0,0,0|2,0,0]=4 57 B12R1.125 O=C(O)CCC1=CC=CC=C1O C01198 [0,1,1,0,0,0|0,0,0]=2 58 B12R1.125 O=C(O)\C=C/C1=CC=CC=C1O C05838 [0,1,1,0,0,0|0,0,2]=4 59 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O C01772 [0,1,1,0,0,0|0,0,2]=4 60 B12R1.32 CCNC(=O)CC1=CC=CC=C1 C11487 [0,1,1,0,0,0|1,0,0]=3 61 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 C11224 [0,1,1,0,0,0|2,0,0]=4 62 B12R1.43 C[NH+](C)C(=O)NC1=CC=CC=C1 C19077 [0,1,1,0,0,0|2,0,0]=4 63 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 C06358 [0,1,1,0,0,0|0,0,2]=4 64 B12R1.27 [*]OC(=O)\C=C\C1=CC=CC=C1 C06357 [0,1,1,0,0,0|0,0,2]=4 65 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 C20488 [0,1,1,0,0,0|0,0,0]=2 66 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 C20487 [0,1,1,0,0,0|0,0,0]=2 67 B12R1.107 O=C(O)CC(=O)C1=CC=CC=C1 C07114 [0,1,1,0,0,0|0,0,1]=3 68 B12R2.1 O=CC1=CNC2=C1C=CC=C2 C08493 [0,1,0,0,1,0|1,0,1]=4 69 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O C11129 [0,1,0,0,1,0|1,0,1]=4 70 B12R2.2028 O=C1CC(O)C2=C1C=CC=C2 C07720 [0,1,0,0,1,0|0,0,0]=2 71 B12R2.32 ON=C1CC2=C(C=CC=C2)C1 C14639 [0,1,0,0,1,0|1,0,1]=4 72 B12R2.606 NC1=NC2=CC(Cl)=CC=C2O1 C13841 [0,1,0,0,1,0|2,0,0]=4 73 B12R2.606 OC1=NC2=C(C=CC(Cl)=C2)O1 C07931 [0,1,0,0,1,0|1,0,1]=4 74 B14R2.4513 O=C1C=CC2=C(O1)C(O)=C(O)C=C2 C03093 [0,2,0,0,0,0|0,0,2]=4 75 B14R2.8188 O=C1C(O)OC2=C(C=CC=C2)N1O C15770 [0,2,0,0,0,0|2,0,0]=4 76 B14R2.134 COC1=CC2=C(C=CC(=O)O2)C=C1 C09268 [0,2,0,0,0,0|0,0,2]=4 77 B14R2.8239 O=C1C=CC2=C(C=C(O)C(O)=C2)O1 C09263 [0,2,0,0,0,0|0,0,2]=4 78 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(N)=C2 C01386 [0,2,0,0,0,0|0,0,2]=4 79 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(O)=C2 C03081 [0,2,0,0,0,0|0,0,2]=4 80 B10R1.15 CCC(C)C1=CC=CC=C1 C14142 [0,0,1,0,1,0|1,0,1]=4 81 B10R1.15 COC(=O)C1=CC=CC=C1 C20645 [0,0,1,0,1,0|1,0,0]=3 82 B10R1.15 N#CC(=O)C1=CC=CC=C1 C21329 [0,0,1,0,1,0|1,0,1]=4 83 B10R1.15 O=C(CO)C1=CC=CC=C1 C07189 [0,0,1,0,1,0|1,0,0]=3 84 B10R1.61 CC1=C(C(=O)O)C=CC=C1 C07215 [0,0,1,0,1,0|1,0,0]=3 85 B10R1.61 CC1=C([N+](=O)[O-])C=CC=C1 C19597 [0,0,1,0,1,0|2,0,0]=4 86 B10R1.61 NC1=CC=CC=C1C(=O)O C00108 [0,0,1,0,1,0|2,0,0]=4 87 B10R1.61 O=C(O)C1=CC=CC=C1Cl C02357 [0,0,1,0,1,0|2,0,0]=4 88 B10R1.61 O=C(O)C1=CC=CC=C1F C02359 [0,0,1,0,1,0|2,0,0]=4 89 B10R1.61 O=C(O)C1=CC=CC=C1O C00805 [0,0,1,0,1,0|2,0,0]=4 90 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 C07587 [0,0,1,0,1,0|2,0,0]=4 91 B10R1.61 O=C([O-])C1=C(S)C=CC=C1 C08171 [0,0,1,0,1,0|2,0,0]=4 92 B10R1.66 O=C(O)CCC1=CNC=N1 C20522 [0,0,1,0,1,0|2,0,0]=4 93 B10R2.7 C1=CC2=C(C=C1)NC=C2 C00463 [1,0,0,0,1,0|1,0,1]=4 94 B10R2.7 C1=CC=C2NC=NC2=C1 C02009 [1,0,0,0,1,0|2,0,0]=4 95 B10R2.7 C1=CC=C2OC=CC2=C1 C14512 [1,0,0,0,1,0|0,0,1]=3 96 B12R1.252 CC(=O)NCCC1=CC=CC=C1 C06746 [0,0,1,0,0,1|1,0,0]=3 97 B12R1.252 CC(=O)OCCC1=CC=CC=C1 C12303 [0,0,1,0,0,1|1,0,0]=3