0 B11R1.3 C#CC1=CN=C(C(=O)O)C=N1 F2197-2466 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.3 C=C(F)C1=CC=C(OC)C=C1 F1967-2982 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.3 CCC1=CN=C(C(=O)O)N=C1 F1903-9866 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.3 COC1=CN=C(C(=O)O)N=C1 F1913-3654 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.3 C#CC1=CC=C(SC)C=C1 F8883-2340 [1,0,0,0,0,0|1,1,1]=4 5 B10R1.3 C#CC1=NC=C(OC)C=C1 F2197-7975 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.13 C=C(F)C1=CC=C(C)C=C1 F1967-2979 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.13 C=C(F)C1=CC=C(Cl)C=C1 F1967-2980 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.13 C=C(F)C1=CC=C(F)C=C1 F1967-2981 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.13 O=C(O)C1=NC=C(F)C=N1 F2147-5291 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.13 OC1=CC=C(C(F)F)C=C1 F2147-4562 [1,0,0,0,0,0|2,0,1]=4 11 B12R1.5 CCC1=CN=C(C(=O)OC)N=C1 F1903-9867 [0,1,0,0,0,0|3,0,0]=4 12 B12R1.5 COC1=CC=C(C(C)C=O)C=C1 F1967-2634 [0,1,0,0,0,0|1,0,1]=3 13 B12R1.5 COC1=CC=C(C(F)CBr)C=C1 F1967-2965 [0,1,0,0,0,0|2,0,1]=4 14 B12R1.5 COC1=CC=C(C(F)CN)C=C1 F1967-2993 [0,1,0,0,0,0|2,0,1]=4 15 B12R1.5 COC1=CC=C(C(N)CCl)C=C1 F2185-0701 [0,1,0,0,0,0|2,0,1]=4 16 B12R1.5 CSC1=CC=C(C(O)CN)C=C1 F2148-0284 [0,1,0,0,0,0|1,1,1]=4 17 B12R1.48 N#CC1=C(Cl)C=C(C(=O)O)C=C1 F1904-6309 [0,1,0,0,0,0|2,0,0]=3 18 B12R1.113 CCOC1=CN=C(C(=O)O)N=C1 F1913-3655 [0,1,0,0,0,0|2,0,0]=3 19 B12R1.113 O=[N+]([O-])C1=CC=C(OCCl)C=C1 F8884-5431 [0,1,0,0,0,0|1,0,1]=3 20 B12R1.256 CN(C)C1=NN=C(C(=O)O)C=C1 F8881-1855 [0,1,0,0,0,0|3,0,0]=4 21 B12R1.256 C[C@@H](N)C1=CC=C(C(=O)O)C=C1 F1911-5519 [0,1,0,0,0,0|1,0,0]=2 22 B10R1.31 C#CC1=CSC(C(=O)O)=C1 F2167-2856 [0,0,0,0,1,0|2,0,1]=4 23 B10R1.31 CCN1C=NC(C(=O)O)=C1 F8886-3807 [0,0,0,0,1,0|3,0,0]=4 24 B9R1.6 C=C(F)C1=CC=CC=C1 F1967-2978 [2,0,0,0,0,0|2,0,0]=4 25 B9R1.6 CC(=O)C1=CC=NC=C1 F0001-1853 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.6 O=C(O)C1=NC=CC=C1 F0001-1025 [2,0,0,0,0,0|1,0,0]=3 27 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 F0001-2151 [1,1,0,0,0,0|1,0,0]=3 28 B11R1.21 CC1=CC(C(=O)O)=NC=C1F F1904-6297 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.21 O=C(O)C1=CC(O)=C(Br)N=C1 F1957-0118 [1,1,0,0,0,0|2,0,0]=4 30 B11R1.22 CC1=CC=C(C(C)C=O)C=C1 F8885-0697 [1,1,0,0,0,0|1,0,1]=4 31 B11R1.166 CC1=CC(F)=CN=C1C(=O)O F1904-6295 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.166 CC1=CN=C(C(=O)O)C(F)=C1 F1904-6296 [1,1,0,0,0,0|1,0,0]=3 33 B11R1.50 CCC1=CC(C(=O)O)=C(Br)S1 F8885-8099 [0,1,0,0,1,0|2,0,0]=4 34 B11R1.50 CCC1=CC(C(=O)O)=C(Cl)S1 F8885-7773 [0,1,0,0,1,0|2,0,0]=4 35 B11R1.124 COCC1=CC(C(=O)O)=NO1 F8889-2657 [0,1,0,0,1,0|2,0,0]=4 36 B13R1.36 C#CC1=CC=C(C(N)C(=O)O)C=C1 F2147-3471 [0,1,0,0,0,1|1,0,1]=4 37 B13R1.139 CCOC1=CC=C(C(O)CN)C=C1 F2189-0849 [0,2,0,0,0,0|1,0,1]=4 38 B13R1.139 COC(=O)C1=CC=C(N=[N+]=[N-])C=C1 F2157-0526 [0,2,0,0,0,0|2,0,0]=4 39 B13R1.452 COC1=CC=C(C(O)CCN)C=C1 F2189-0718 [0,2,0,0,0,0|1,0,1]=4 40 B13R1.3088 CCN1C=CC(C(=O)OC)=CC1=O F2197-1515 [0,2,0,0,0,0|2,0,0]=4 41 B13R1.338 CS(=N)(=O)C1=CC=C(C(=O)O)C=C1 F1913-5648 [0,2,0,0,0,0|0,1,0]=3 42 B13R1.144 NCCN1C=CC(C(=O)O)=CC1=O F2197-1926 [0,2,0,0,0,0|2,0,0]=4 43 B13R1.3380 N#CC1=C(Cl)C=C(C(=O)O)C=C1Cl F1904-6317 [0,2,0,0,0,0|2,0,0]=4 44 B13R1.74 C#CCOC1=CC=C(C(=O)O)C=C1 F2158-1676 [0,2,0,0,0,0|0,0,0]=2 45 B13R1.74 C#CCSC1=CC=C(C(=O)O)C=C1 F2197-2455 [0,2,0,0,0,0|0,1,0]=3 46 B13R1.74 CC(=O)C1=CC=C(C#CCN)C=C1 F2167-5626 [0,2,0,0,0,0|2,0,0]=4 47 B13R1.74 NCC#CC1=CC=C(C(=O)O)C=C1 F2167-5621 [0,2,0,0,0,0|1,0,0]=3 48 B13R1.74 NCC#CC1=CC=C(C(=O)O)C=N1 F2167-5531 [0,2,0,0,0,0|2,0,0]=4 49 B13R1.74 O=C(O)C1=CC=C(C#CCO)C=C1 F2167-5507 [0,2,0,0,0,0|1,0,0]=3 50 B13R1.74 O=C(O)C1=CC=C(C#CCO)N=C1 F2167-5414 [0,2,0,0,0,0|2,0,0]=4 51 B11R1.159 CC1=C(S)C(C(=O)O)=CC=C1 F1904-0032 [0,0,1,1,0,0|2,0,0]=4 52 B13R2.428 O=C(O)C1=CC=C(C2CC2)N=C1 F2167-4838 [0,1,0,1,0,0|2,0,0]=4 53 B9R1.21 CCC1=CC(C=O)=CS1 F2147-5372 [1,0,0,0,1,0|2,0,0]=4 54 B9R1.21 COC1=CC(C=O)=NN1 F1913-1788 [1,0,0,0,1,0|2,0,0]=4 55 B9R1.35 O=C(O)C1=CC=C(I)O1 F0848-0308 [1,0,0,0,1,0|2,0,0]=4 56 B11R1.266 C#CC1=CN=CC(C(=O)O)=C1 F2167-2825 [0,0,0,0,1,1|1,0,1]=4 57 B11R1.266 CCC1=CC(C(=O)O)=NC=N1 F1967-5667 [0,0,0,0,1,1|2,0,0]=4 58 B11R1.266 CNC1=NC(C(=O)O)=NC=C1 F1904-2292 [0,0,0,0,1,1|2,0,0]=4 59 B11R1.266 CNC1=NC=CC(C(=O)O)=N1 F1904-3723 [0,0,0,0,1,1|2,0,0]=4 60 B11R1.266 COC1=NC(C(=O)O)=NC=C1 F1904-5169 [0,0,0,0,1,1|1,0,0]=3 61 B13R1.3 COC1=CN=C(OCC(=O)O)C=C1 F2197-7760 [0,0,0,0,0,2|1,0,0]=3 62 B13R1.3 COC1=CN=C(OCC(=O)O)N=C1 F2197-7761 [0,0,0,0,0,2|2,0,0]=4