0 B11R1.280 COC1=CC(CN)=CC=C1O 15578 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.172 N#CC1=CC=CC(C=O)=N1 1225 [1,0,0,0,0,0|3,0,0]=4 2 B10R1.176 COC1=CC=C(Br)C(C)=C1 16780 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.176 COC1=CC=C(Cl)C(C)=C1 16021 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.176 NCC1=CC(O)=C(O)C=C1 20755 [1,0,0,0,0,0|1,0,1]=3 5 B10R1.176 O=CC1=CC=C(Cl)C(Cl)=C1 15845 [1,0,0,0,0,0|2,0,0]=3 6 B12R1.78 COC1=CC=C(C=O)C=C1OC 15846 [0,1,0,0,0,0|0,0,0]=1 7 B12R1.449 COC1=CC(OC)=C(Br)C=C1Br 824 [0,1,0,0,0,0|3,0,0]=4 8 B12R1.449 NC1=CC(N)=C(C=O)C=C1C=O 11276 [0,1,0,0,0,0|3,0,0]=4 9 B12R1.449 O=CC1=CC(C=O)=C(O)C=C1O 825 [0,1,0,0,0,0|2,0,0]=3 10 B12R1.453 O=CC1=CC([N+](=O)[O-])=C(O)C=C1 20070 [0,1,0,0,0,0|2,0,0]=3 11 B10R0.83 COC(=O)\C(O)=C\C=C\C=O 13484 [0,0,1,0,0,0|1,0,0]=2 12 B12R2.44 N#CC1=CC2=C(C=C1)OCO2 11836 [0,0,0,1,0,0|1,0,1]=3 13 B12R2.44 O=CC1=CC=C2OCOC2=C1 15840 [0,0,0,1,0,0|0,0,0]=1 14 B9R1.2 COC1=CC=CC(F)=N1 102386 [2,0,0,0,0,0|2,0,0]=4 15 B9R1.2 [NH3+]CC1=CC=CC(O)=C1 102221 [2,0,0,0,0,0|1,0,1]=4 16 B9R1.15 NCC1=C(O)C=CC=C1 103068 [2,0,0,0,0,0|2,0,0]=4 17 B9R1.15 O=CC1=CC=CC=C1O 20957 [2,0,0,0,0,0|2,0,0]=4 18 B9R1.69 CC1=CC(O)=CC=C1Br 16031 [2,0,0,0,0,0|1,0,1]=4 19 B9R1.1 NC1=CC=C(C=O)C=C1 15833 [2,0,0,0,0,0|1,0,0]=3 20 B9R1.1 O=CC1=CC=C(O)C=C1 15844 [2,0,0,0,0,0|0,0,0]=2 21 B9R1.1 O=NC1=CC=C(Br)C=C1 18679 [2,0,0,0,0,0|2,0,0]=4 22 B11R1.8 COC1=CC(C)=CC(C)=C1C 102020 [1,1,0,0,0,0|1,0,1]=4 23 B11R1.277 COC1=C(C)C=C(Br)C(C)=C1 16020 [1,1,0,0,0,0|1,0,1]=4 24 B11R1.189 COC1=CC=CC(CCO)=C1 21814 [1,1,0,0,0,0|0,0,2]=4 25 B11R1.266 COC1=CC=CC(C(=O)O)=C1 18168 [1,1,0,0,0,0|0,0,0]=2 26 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 21793 [1,1,0,0,0,0|2,0,0]=4 27 B11R1.266 O=CC1=CC=CC([N+](=O)[O-])=C1 15847 [1,1,0,0,0,0|2,0,0]=4 28 B11R1.267 O=CC1=CC=CC(C=O)=C1O 20916 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.14 O=CC1=CC(Br)=C(O)C(Br)=C1 15694 [1,1,0,0,0,0|1,0,0]=3 30 B11R1.21 CC1=C(N)C=CC([N+](=O)[O-])=C1 14449 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.21 O=C(O)C1=CC=C(O)C(O)=C1 21496 [1,1,0,0,0,0|0,0,0]=2 32 B11R1.278 CC1=C(C)C(C)=C(C=O)C=C1 16018 [1,1,0,0,0,0|1,0,0]=3 33 B11R1.278 CC1=C(O)C=CC(N=O)=C1O 897 [1,1,0,0,0,0|1,0,0]=3 34 B11R1.278 O=CC1=C(O)C(O)=C(O)C=C1 15492 [1,1,0,0,0,0|0,0,0]=2 35 B11R1.279 C(=O)C1=CC(Cl)=C(OC)C=C1 21820 [1,1,0,0,0,0|1,0,0]=3 36 B11R1.279 CC1=CC(N=O)=CC=C1N=O 10924 [1,1,0,0,0,0|1,0,1]=4 37 B11R1.279 COC1=CC=C(C=O)C=C1O 15839 [1,1,0,0,0,0|0,0,0]=2 38 B13R1.13 O=C(O)C1=CC([N+](=O)[O-])=C(O)C=C1 20072 [0,2,0,0,0,0|2,0,0]=4 39 B13R1.3230 CCC1=C(Cl)C=CC(C(=O)O)=C1Cl 101316 [0,2,0,0,0,0|2,0,0]=4 40 B13R1.355 CCOC1=CC(C=O)=CC=C1OC 100294 [0,2,0,0,0,0|0,0,0]=2 41 B13R1.2200 COC1=CC(C)=C(OC)C=C1C=O 18645 [0,2,0,0,0,0|1,0,0]=3 42 B13R1.52 COC1=CC(CC(=O)O)=CC=C1Br 16554 [0,2,0,0,0,0|1,0,0]=3 43 B11R2.190 COC1=CC=C2CCC2=C1 16570 [1,0,0,1,0,0|1,0,1]=4 44 B13R2.1419 COC1=C(OC)C=C2CCC2=C1 16591 [0,1,0,1,0,0|1,0,1]=4 45 B13R2.449 C\N=C\C1=CC2=C(C=C1)OCO2 15619 [0,1,0,1,0,0|1,0,0]=3 46 B13R2.1590 COC1=C(C)C=C2C(=O)CC2=C1 16233 [0,1,0,1,0,0|1,0,0]=3 47 B13R2.2749 COC1=C2C(=O)CC2=CC=C1Br 16240 [0,1,0,1,0,0|1,0,0]=3 48 B13R3.1910 C1=C2CCC2=CC3=C1OCO3 16600 [0,0,0,2,0,0|1,0,1]=4