0 B13R2.57 C(=O)C1=CC=C2C=CC=CC2=C1 C14099 [0,0,0,0,0,0|2,0,0]=2 1 B13R2.57 OCC1=CC=C2C=CC=CC2=C1 C02909 [0,0,0,0,0,0|2,0,0]=2 2 B12R2.24 CC1=CC=C2C=CC=CC2=C1 C14098 [1,0,0,0,0,0|0,0,0]=1 3 B12R2.24 NC1=CC=C2C=CC=CC2=C1 C02227 [1,0,0,0,0,0|1,0,0]=2 4 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 C06415 [1,0,0,0,0,0|1,0,1]=3 5 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 C05851 [1,0,0,0,0,0|1,0,1]=3 6 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 C11713 [1,0,0,0,0,0|0,0,0]=1 7 B12R2.24 OC1=NC2=C(C=CC=C2)C=C1 C06338 [1,0,0,0,0,0|1,0,0]=2 8 B14R2.92 O=CC1=C(O)C2=C(C=CC=C2)C=C1 C11427 [0,1,0,0,0,0|2,0,0]=3 9 B14R2.134 COC1=CC2=C(C=CC(=O)O2)C=C1 C09268 [0,1,0,0,0,0|1,0,0]=2 10 B14R2.781 O=C(O)C1=CC=C2C=CC=CC2=C1 C14101 [0,1,0,0,0,0|2,0,0]=3 11 B14R2.781 O=C(O)C1=NC2=C(C=CC=C2)C=C1 C06325 [0,1,0,0,0,0|3,0,0]=4 12 B14R2.781 O=[N+]([O-])C1=CC=C2C=CC=CC2=C1 C19474 [0,1,0,0,0,0|2,0,0]=3 13 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 C06358 [0,0,1,0,0,0|1,0,0]=2 14 B12R1.27 [*]OC(=O)\C=C\C1=CC=CC=C1 C06357 [0,0,1,0,0,0|2,0,0]=3 15 B12R1.71 COC1=CC=C(\C=C\C=O)C=C1 C10475 [0,0,1,0,0,0|1,0,0]=2 16 B12R2.1 NCC1=CNC2=CC=CC=C12 C21601 [0,0,0,0,1,0|3,0,0]=4 17 B12R2.1 O=CC1=CNC2=C1C=CC=C2 C08493 [0,0,0,0,1,0|3,0,0]=4 18 B12R2.32 CSC1=NC2=C(C=CC=C2)S1 C10910 [0,0,0,0,1,0|2,1,0]=4 19 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 C00423 [1,0,1,0,0,0|1,0,0]=3 20 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 C10438 [1,0,1,0,0,0|1,0,0]=3 21 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 C05608 [1,0,1,0,0,0|1,0,0]=3 22 B11R1.1 OC\C=C\C1=CC=C(O)C=C1 C02646 [1,0,1,0,0,0|1,0,1]=4 23 B11R1.83 C=CCC1=CC=C(OC)C=C1 C10452 [1,0,1,0,0,0|0,0,1]=3 24 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 C10428 [1,0,1,0,0,0|0,0,1]=3 25 B11R1.81 [*]\C=C\C1=CC=C(O)C=C1O C18089 [1,0,1,0,0,0|2,0,0]=4 26 B11R2.20 C1=CC2=C(C=C1)C=CC=C2 C00829 [2,0,0,0,0,0|0,0,0]=2 27 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 C06323 [2,0,0,0,0,0|1,0,0]=3 28 B11R2.20 C1=CC2=C(C=C1)N=CC=C2 C06413 [2,0,0,0,0,0|1,0,0]=3 29 B11R2.20 C1=CC2=NC=CN=C2C=C1 C18575 [2,0,0,0,0,0|2,0,0]=4 30 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 C06359 [0,1,1,0,0,0|1,0,0]=3 31 B13R1.2900 [*]\C=C\C1=CC(OC)=C(O)C=C1O C18087 [0,1,1,0,0,0|2,0,0]=4 32 B13R1.575 COC1=CC(\C=C\C=O)=CC=C1O C02666 [0,1,1,0,0,0|1,0,0]=3 33 B13R1.575 COC1=CC(\C=C\CO)=CC=C1O C00590 [0,1,1,0,0,0|1,0,1]=4 34 B13R2.32 CC1=C(C)C2=CC=CC=C2C=C1 C14329 [1,1,0,0,0,0|0,0,0]=2 35 B13R2.32 O=C1C(O)=CNC2=CC=CC=C12 C11503 [1,1,0,0,0,0|1,0,0]=3 36 B13R2.32 O=C1C=CC2=CC=CC=C2C1=O C14783 [1,1,0,0,0,0|0,0,1]=3 37 B13R2.32 OC1=C(O)C2=C(C=CC=C2)N=C1 C06330 [1,1,0,0,0,0|1,0,0]=3 38 B13R2.32 OC1=CC=C2C=CC=CC2=C1O C03012 [1,1,0,0,0,0|0,0,0]=2 39 B13R2.32 OC1C=CC2=CC=CC=C2C1O C06205 [1,1,0,0,0,0|0,0,2]=4 40 B13R2.32 O[C@H]1C=CC2=C(C=CC=C2)[C@@H]1O C04514 [1,1,0,0,0,0|0,0,2]=4 41 B13R2.32 O[C@H]1C=CC2=C(C=CC=C2)[C@H]1O C04314 [1,1,0,0,0,0|0,0,2]=4 42 B13R2.155 O=C1C=CC2=C(C=C(O)C=C2)O1 C09315 [1,1,0,0,0,0|1,0,0]=3 43 B13R2.162 OC1=CC2=C(C=C1)N=CC=C2O C05639 [1,1,0,0,0,0|1,0,0]=3 44 B13R2.162 OC1=CC=CC2=C1N=C(O)C=C2 C06342 [1,1,0,0,0,0|1,0,0]=3 45 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)N1 C16716 [1,1,0,0,0,0|1,0,1]=4 46 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 C20414 [1,1,0,0,0,0|1,0,1]=4 47 B13R2.369 CC1=CC2=C(C=CC=C2)N=C1O C06345 [1,1,0,0,0,0|1,0,0]=3 48 B13R2.369 OC1=CC2=CC=CC=C2C=C1O C16213 [1,1,0,0,0,0|0,0,0]=2 49 B13R2.3683 CC1=CC=C2C=C(C)C=CC2=C1 C14330 [1,1,0,0,0,0|0,0,0]=2 50 B13R2.3683 OC1=CC2=C(C=C1)C=C(Br)C=C2 C14352 [1,1,0,0,0,0|0,0,0]=2 51 B13R2.5179 CC1=CC=C2C(C)=CC=CC2=C1 C14217 [1,1,0,0,0,0|0,0,0]=2 52 B13R2.1 CNCC1=CNC2=C1C=CC=C2 C21602 [0,1,0,0,1,0|2,0,0]=4 53 B13R2.1 NCCC1=CNC2=CC=CC=C12 C00398 [0,1,0,0,1,0|2,0,0]=4 54 B13R2.1 OCCC1=CNC2=CC=CC=C12 C00955 [0,1,0,0,1,0|2,0,0]=4 55 B13R2.26 NCCC1=CC2=CC=CC=C2N1 C02548 [0,1,0,0,1,0|2,0,0]=4 56 B15R2.627 O=C(O)C1=C(O)C2=CC=CC=C2C=C1 C03203 [0,2,0,0,0,0|2,0,0]=4 57 B15R2.1282 CCOC1=CC2=C(C=CC(=O)O2)C=C1 C11052 [0,2,0,0,0,0|1,0,0]=3 58 B15R2.1824 COC1=C(O)C=C2C=CC(=O)OC2=C1 C18079 [0,2,0,0,0,0|1,0,0]=3 59 B15R2.4775 COC1=CC2=C(C=C1)C=CC(C)(C)O2 C09017 [0,2,0,0,0,0|1,0,1]=4 60 B15R2.4807 OCC1=CC=C2C=CC(O)=C(O)C2=C1 C14105 [0,2,0,0,0,0|2,0,0]=4 61 B15R2.984 O=C(O)C1=CC2=CC=CC=C2C=C1O C16212 [0,2,0,0,0,0|2,0,0]=4 62 B15R2.4441 O=S(=O)(O)C1=CC2=CC=CC=C2C=C1 C16202 [0,2,0,0,0,0|1,1,0]=4 63 B15R2.117 COC1=CC2=C(C=NC=C2)C=C1OC C09348 [0,2,0,0,0,0|1,0,0]=3 64 B15R2.1754 COC1=CC2=C(C=C1O)OC(=O)C=C2 C01752 [0,2,0,0,0,0|1,0,0]=3 65 B13R3.28 C1=CC=C2C(=C1)C=C[C@@H]3O[C@H]23 C14786 [1,0,0,1,0,0|0,0,2]=4 66 B13R3.28 C1=CC=C2C(=C1)C=C[C@H]3O[C@@H]23 C14787 [1,0,0,1,0,0|0,0,2]=4 67 B11R1.222 COC(=O)C1=CC=CC=C1N C20634 [0,0,1,0,1,0|2,0,0]=4 68 B11R1.222 COC(=O)C1=CC=CC=C1O C12305 [0,0,1,0,1,0|2,0,0]=4 69 B11R2.1 CC1=CNC2=C1C=CC=C2 C08313 [1,0,0,0,1,0|1,0,0]=3 70 B11R2.1 NC1=CNC2=CC=CC=C12 C01819 [1,0,0,0,1,0|2,0,0]=4 71 B11R2.1 OC1=CNC2=CC=CC=C12 C05658 [1,0,0,0,1,0|1,0,0]=3 72 B11R2.36 ClC1=CC=C2C=CNC2=C1 C17089 [1,0,0,0,1,0|2,0,0]=4 73 B11R2.36 OC1=CC2=C(C=C1)NC=N2 C21764 [1,0,0,0,1,0|2,0,0]=4