0 B11R1.3 C=CC1=CC=C(S(=O)[O-])C=C1 6707AL [0,0,0,0,0,0|4,0,0]=4 1 B11R1.3 CN(C)C1=CC=C([N+]#N)C=C1 6474AL [0,0,0,0,0,0|3,0,0]=3 2 B11R1.3 CN(C)C1=CC=C([N+]#N)C=C1 6475AL [0,0,0,0,0,0|3,0,0]=3 3 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 W5767 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.3 N=C(N)C1=CC=C(C=O)C=C1 9506AJ [0,0,0,0,0,0|2,0,1]=3 5 B10R1.3 CCC1=CC=C(CCl)C=C1 O299 [1,0,0,0,0,0|1,0,1]=3 6 B10R1.3 CCC1=CC=C([Mg]Br)C=C1 8146AJ [1,0,0,0,0,0|2,0,0]=3 7 B10R1.3 CSC1=CC=C([Mg]Br)C=C1 8189AJ [1,0,0,0,0,0|3,0,0]=4 8 B10R1.13 C=C1C=CC(C(C)C)CC1 8103AB [1,0,0,0,0,0|0,0,3]=4 9 B10R1.13 CC(N)C1=CC=C(N)C=C1 2415AJ [1,0,0,0,0,0|2,0,0]=3 10 B10R1.13 CN(C)C1=CC=C(N)C=C1 8439AL [1,0,0,0,0,0|2,0,0]=3 11 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 Z1901 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.13 C[C@@H](N)C1=CC=C(N)C=C1 W7687 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 3889AD [1,0,0,0,0,0|1,0,1]=3 14 B10R1.13 OC1=CC=C(C(F)F)C=C1 5425AB [1,0,0,0,0,0|2,0,1]=4 15 B12R1.5 COC1=CC=C([C@H](O)CN)C=C1 6341AB [0,1,0,0,0,0|3,0,0]=4 16 B12R1.5 N#CC1=CC=C(C(O)CN)C=C1 5639AC [0,1,0,0,0,0|2,0,1]=4 17 B12R1.6 C#CC1=CC=C(C(C)(C)O)C=C1 X3785 [0,1,0,0,0,0|1,0,1]=3 18 B12R1.6 CC(C)(C)C1=CC=C([Mg]Br)C=C1 X5345 [0,1,0,0,0,0|2,0,0]=3 19 B12R1.256 CC(N)C1=CC=C([N+](=O)[O-])C=C1 Y4710 [0,1,0,0,0,0|2,0,0]=3 20 B12R1.256 CN(C)C1=CC=C(C(=N)N)C=C1 W3921 [0,1,0,0,0,0|2,0,0]=3 21 B12R1.256 C[C@H](N)C1=CC=C(N(C)C)C=C1 W9671 [0,1,0,0,0,0|2,0,1]=4 22 B12R1.452 CN(C)C1=C(Br)C=C(C=O)C=C1 8257AB [0,1,0,0,0,0|1,0,0]=2 23 B12R2.9 COC1=CC=C([C@@H]2CO2)C=C1 U340 [0,0,0,1,0,0|3,0,0]=4 24 B12R2.9 COC1=NC=C(C2CC2)C=C1 Y3607 [0,0,0,1,0,0|3,0,0]=4 25 B12R1.4 C=CC1=CC=C(CC(C)C)C=C1 X3636 [0,0,0,0,0,1|1,0,0]=2 26 B12R1.4 CC(C)OC1=CC=C(NN)C=C1 8782AH [0,0,0,0,0,1|2,0,0]=3 27 B12R1.4 COC1=CC=C(CC(C)N)C=C1 T812 [0,0,0,0,0,1|3,0,0]=4 28 B12R1.4 COC1=CC=C(C[C@@H](C)N)C=C1 8764AB [0,0,0,0,0,1|3,0,0]=4 29 B9R1.1 C=CC1=CC=C(N)C=C1 2121AA [2,0,0,0,0,0|2,0,0]=4 30 B9R1.1 CC1=CC=C(N=O)C=C1 F922 [2,0,0,0,0,0|1,0,0]=3 31 B9R1.1 CC1=CC=C([Hg]Cl)C=C1 7857AF [2,0,0,0,0,0|2,0,0]=4 32 B9R1.1 CCC1=CN=C(C)C=C1 6769AL [2,0,0,0,0,0|1,0,1]=4 33 B9R1.6 CC(C)C1=NC=CN=C1 R572 [2,0,0,0,0,0|2,0,0]=4 34 B9R1.6 CC(I)C1=CC=CC=C1 7383AJ [2,0,0,0,0,0|1,0,0]=3 35 B9R1.6 CN(C)C1=CC=NC=C1 5677AH [2,0,0,0,0,0|2,0,0]=4 36 B9R1.6 CN(N)C1=CC=CC=C1 7753AF [2,0,0,0,0,0|2,0,0]=4 37 B9R1.6 CN(N)C1=CC=CC=C1 7754AF [2,0,0,0,0,0|2,0,0]=4 38 B9R1.6 C[PH](=O)C1=CC=CC=C1 0011AB [2,0,0,0,0,0|2,0,0]=4 39 B11R1.83 CCC1=CC=C(CC#N)C=C1 7208AB [1,1,0,0,0,0|1,0,1]=4 40 B11R1.83 CCCC1=CC=C(NN)C=C1 8805AH [1,1,0,0,0,0|2,0,0]=4 41 B11R1.83 CSC1=CC=C(N=C=O)C=C1 5239AD [1,1,0,0,0,0|1,0,1]=4 42 B11R1.83 N#CC1=CC=C(CCN)C=C1 5946AA [1,1,0,0,0,0|1,0,1]=4 43 B11R1.83 O=C=NC1=CC=C(CCl)C=C1 Y8580 [1,1,0,0,0,0|1,0,1]=4 44 B11R1.279 CSC1=CC=C(C=O)C=C1F Z0284 [1,1,0,0,0,0|1,0,0]=3 45 B11R1.19 CC(C)(N)C1=CC=C(Cl)C=C1 X6413 [1,1,0,0,0,0|1,0,0]=3 46 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 Y8021 [1,1,0,0,0,0|1,0,0]=3 47 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 X9183 [1,1,0,0,0,0|2,0,0]=4 48 B13R1.142 CC(C)OC1=CC=C(CCN)C=C1 4863AJ [0,1,0,0,0,1|1,0,1]=4 49 B13R1.585 CC(=O)OC1=CC=C(C(=O)Cl)C=C1 1116AQ [0,1,0,0,0,1|1,0,1]=4 50 B13R1.585 CC(C)CC1=CC=C([C@H](C)N)C=C1 8396AH [0,1,0,0,0,1|1,0,1]=4 51 B13R1.139 CCC(C)C1=CC=C(N=C=O)C=C1 4166AE [0,2,0,0,0,0|0,0,1]=3 52 B13R1.187 CCC(C)(C)C1=CC=C(CCl)C=C1 V0786 [0,2,0,0,0,0|1,0,1]=4 53 B13R1.537 CN(C)C1=CC=C(C(=O)C=O)C=C1 1126AL [0,2,0,0,0,0|1,0,0]=3 54 B13R1.537 CN(C)C1=CC=C(C(=O)C=O)C=C1 Z3911 [0,2,0,0,0,0|1,0,0]=3 55 B13R1.537 CN(C)C1=CC=C(C(=O)NN)C=C1 0026AB [0,2,0,0,0,0|1,0,0]=3 56 B13R1.537 CN(C)C1=CC=C(\C(N)=N/O)C=C1 9504AJ [0,2,0,0,0,0|1,0,1]=4 57 B13R1.338 CC(C)(C)C1=CC=C(C(N)=S)C=C1 W7111 [0,2,0,0,0,0|0,1,0]=3 58 B13R1.338 CC(C)C1=CC=C(S(C)(=N)=O)C=C1 9068AJ [0,2,0,0,0,0|1,0,0]=3 59 B13R1.120 CC(C)C1=CC=C(C(=O)O)C(Br)=C1 Z0650 [0,2,0,0,0,0|0,0,0]=2 60 B13R1.120 CC(C)C1=CC=C([N+](=O)[O-])C(Br)=C1 X6548 [0,2,0,0,0,0|1,0,0]=3 61 B13R1.120 CC1=C([PH](=O)[O-])C=CC(N(C)C)=C1 W0080 [0,2,0,0,0,0|2,0,0]=4 62 B11R1.159 CC1=C(S)C(C(C)C)=CC=C1 Z2574 [0,0,1,1,0,0|2,0,0]=4 63 B13R2.430 CC(O)C1=CC2=C(C=C1)C=NN2 Y5319 [0,1,0,1,0,0|2,0,0]=4 64 B13R2.2170 CC1=CC(C=O)=CN=C1C2CC2 Z1333 [0,1,0,1,0,0|1,0,0]=3 65 B9R1.21 CSC1=CC(C=O)=CS1 Z0992 [1,0,0,0,1,0|2,0,0]=4 66 B9R1.21 O=CC1=CC(CO)=CO1 Y6573 [1,0,0,0,1,0|2,0,0]=4 67 B11R1.20 CC(C)OC1=CN=C(F)C=C1 Z1060 [1,0,0,0,0,1|2,0,0]=4 68 B11R1.20 CC(N)CC1=CC=C(Br)C=C1 1424AL [1,0,0,0,0,1|2,0,0]=4 69 B11R1.20 CC(N)CC1=CC=C(Cl)C=C1 Y9701 [1,0,0,0,0,1|2,0,0]=4