0 B11R1.280 COC1=CC(C=O)=C(C)C=C1 038680 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.30 CCC1=C(F)C=CC(F)=C1 105468 [1,0,0,0,0,0|3,0,0]=4 2 B10R1.30 COC1=CC(C)=CC=C1I 038666 [1,0,0,0,0,0|1,0,0]=2 3 B10R1.176 COC1=CC(Br)=C(S)C=C1 038759 [1,0,0,0,0,0|2,1,0]=4 4 B10R1.176 COC1=CC=C(Cl)C(S)=C1 037969 [1,0,0,0,0,0|2,1,0]=4 5 B12R1.56 COC1=C(C)C=CC(C(=O)Cl)=C1 020643 [0,1,0,0,0,0|2,0,1]=4 6 B12R1.78 COC1=C(OC)C=C(SC)C=C1 019351 [0,1,0,0,0,0|1,0,0]=2 7 B12R1.286 COC1=C(Cl)C=CC(N=C=O)=C1 104119 [0,1,0,0,0,0|2,0,1]=4 8 B12R1.286 COC1=C(Cl)C=CC(N=C=S)=C1 104118 [0,1,0,0,0,0|2,0,1]=4 9 B12R1.286 COC1=C(F)C=CC(N=C=S)=C1 035063 [0,1,0,0,0,0|2,0,1]=4 10 B12R1.449 COC1=C(C)C=C(O)C(C=O)=C1 025080 [0,1,0,0,0,0|2,0,1]=4 11 B12R1.453 CCC1=CC(C(=O)O)=C(Cl)C=C1 044222 [0,1,0,0,0,0|3,0,0]=4 12 B9R1.2 CCC1=CC(C)=CN=C1 180046 [2,0,0,0,0,0|1,0,0]=3 13 B9R1.2 C[N+]1=CC(CO)=CC=C1 181608 [2,0,0,0,0,0|2,0,0]=4 14 B9R1.15 C#CC1=CC=CC=C1O 222906 [2,0,0,0,0,0|1,0,1]=4 15 B9R1.15 CCC1=C(F)C=CC=C1 037698 [2,0,0,0,0,0|2,0,0]=4 16 B9R1.69 CC1=C(S)C=CC(Br)=C1 037981 [2,0,0,0,0,0|1,1,0]=4 17 B9R1.69 CC1=C(S)C=CC(F)=C1 023130 [2,0,0,0,0,0|1,1,0]=4 18 B9R1.69 CC1=CC(C)=[N+]([O-])C=C1 032556 [2,0,0,0,0,0|1,0,1]=4 19 B9R1.69 CC1=CC(Cl)=C(S)C=C1 070834 [2,0,0,0,0,0|1,1,0]=4 20 B9R1.69 CC1=CC(S)=C(Br)C=C1 037984 [2,0,0,0,0,0|1,1,0]=4 21 B9R1.69 CC1=CC(S)=C(F)C=C1 037942 [2,0,0,0,0,0|1,1,0]=4 22 B9R1.69 CC1=CC=[N+](C)C=C1C 032583 [2,0,0,0,0,0|2,0,0]=4 23 B11R1.8 CC1=CC(Br)=C(O)C(C=O)=C1 015628 [1,1,0,0,0,0|2,0,0]=4 24 B11R1.8 COC1=C(Br)C(Br)=CC(N)=C1 061628 [1,1,0,0,0,0|2,0,0]=4 25 B11R1.8 COC1=C(Cl)C(Br)=CC(I)=C1 061631 [1,1,0,0,0,0|2,0,0]=4 26 B11R1.8 COC1=CC(C)=CC(Br)=C1N 038669 [1,1,0,0,0,0|1,0,0]=3 27 B11R1.72 COC1=C(N)C=CC(Br)=C1C 038821 [1,1,0,0,0,0|2,0,0]=4 28 B11R1.72 COC1=C(O)C(F)=CC=C1F 038322 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.182 CCOC1=C(I)C=CC(Br)=C1 038699 [1,1,0,0,0,0|2,0,0]=4 30 B11R1.182 CCSC1=C(C)C=CC(C)=C1 094808 [1,1,0,0,0,0|1,1,0]=4 31 B11R1.277 COC1=C(I)C=C(Cl)C(Br)=C1 037540 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.277 COC1=C(I)C=C(F)C(Br)=C1 094765 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.277 COC1=CC(Br)=C(C)C=C1Cl 038677 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.277 COC1=CC(Br)=C(C)C=C1I 038679 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.9 COC1=CC(S)=CC(OC)=C1 038588 [1,1,0,0,0,0|1,0,0]=3 36 B11R1.9 [C-]#[N+]C1=CC(Cl)=CC(OC)=C1 024393 [1,1,0,0,0,0|1,0,1]=4 37 B11R1.189 CCSC1=CC(OC)=CC=C1 094566 [1,1,0,0,0,0|0,0,0]=2 38 B11R1.189 N#CC1=CC=CC(CCO)=C1 220542 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.266 COC1=CC(S(=O)[O-])=CC=C1 045961 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.267 COC1=CC=CC(C=O)=C1F 049660 [1,1,0,0,0,0|1,0,1]=4 41 B11R1.21 CC(C)C1=CC(Br)=C(Cl)C=C1 037568 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.21 CC(C)C1=CC(Br)=C(I)C=C1 035646 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.21 CC1=C(F)C=CC(C(F)F)=C1 440267 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.21 C[C@@H](N)C1=CC=C(F)C(F)=C1 210212 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.192 CCOC1=CC(F)=C(Br)C=C1 098318 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.192 CCOC1=CC=C(Br)C(Cl)=C1 211586 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.192 CCSC1=CC(Cl)=C(Cl)C=C1 094568 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.192 NCCC1=CC(F)=C(Cl)C=C1 070560 [1,1,0,0,0,0|2,0,0]=4 49 B13R1.99 CNC1=CC(OC)=C([N+](=O)[O-])C=C1 442124 [0,2,0,0,0,0|1,0,1]=4 50 B13R1.2200 COC1=C(OC)C=C(CO)C(Br)=C1 319997 [0,2,0,0,0,0|1,0,0]=3 51 B13R1.433 CCC1=CC(OC)=C(O)C(C=O)=C1 025078 [0,2,0,0,0,0|0,0,0]=2 52 B13R1.3378 COC1=C(N)C=C(F)C(OC)=C1F 038789 [0,2,0,0,0,0|2,0,0]=4 53 B11R1.265 COC1=C(OC)C(F)=CC=C1 021826 [0,0,0,0,1,1|2,0,0]=4