0 B12R2.98 C1=CCC(=C1)CC2C=CC=C2 CNP0214465.0 [0,0,0,0,0,0|2,0,0]=2 1 B12R2.98 C1=COC(=C1)CC2=CC=CO2 CNP0282334.0 [0,0,0,0,0,0|2,0,0]=2 2 B12R2.98 C1=COC(=C1)CC2=CNC=C2 CNP0035144.0 [0,0,0,0,0,0|2,0,0]=2 3 B12R2.98 C1=COC(=C1)CN2C=CC=C2 CNP0227749.0 [0,0,0,0,0,0|0,0,0]=0 4 B12R2.98 C1=COC(=C1)CN2CCCC2 CNP0134055.0 [0,0,0,0,0,0|0,0,4]=4 5 B13R2.142 CC1=CC=C(O1)CC2=CC=CO2 CNP0513730.0 [0,1,0,0,0,0|2,0,0]=3 6 B13R2.142 CC1=CC=C(O1)CC2=CNC=C2 CNP0081833.0 [0,1,0,0,0,0|2,0,0]=3 7 B11R2.2 C1=CN(C=C1)C2=CN=NO2 CNP0087464.0 [0,0,0,0,1,0|2,0,0]=3 8 B11R2.2 C1=CN(C=C1)C2=CON=N2 CNP0403439.0 [0,0,0,0,1,0|3,0,0]=4 9 B11R2.2 C1=CN(C=C1)C2=NC=NO2 CNP0326251.0 [0,0,0,0,1,0|2,0,0]=3 10 B11R2.2 C1=CN(C=C1)C2=NN=CO2 CNP0000903.0 [0,0,0,0,1,0|2,0,0]=3 11 B11R2.2 C1=CN(C=C1)C2=NOC=N2 CNP0422428.0 [0,0,0,0,1,0|3,0,0]=4 12 B11R2.2 C1=CN(C=C1)C2=NON=C2 CNP0001106.0 [0,0,0,0,1,0|3,0,0]=4 13 B11R2.2 C1=CN(C=N1)C2=CC=NO2 CNP0296057.0 [0,0,0,0,1,0|2,0,0]=3 14 B11R2.2 C1=CN(C=N1)C2=CN=CO2 CNP0000893.0 [0,0,0,0,1,0|2,0,0]=3 15 B11R2.2 C1=CN(C=N1)C2=COC=N2 CNP0000880.0 [0,0,0,0,1,0|3,0,0]=4 16 B11R2.2 C1=CN(C=N1)C2=NC=CO2 CNP0001107.0 [0,0,0,0,1,0|2,0,0]=3 17 B11R2.2 C1=CN(C=N1)C2=NOC=C2 CNP0329277.0 [0,0,0,0,1,0|3,0,0]=4 18 B11R2.2 C1=CN(N=C1)C2=CC=NO2 CNP0000879.0 [0,0,0,0,1,0|2,0,0]=3 19 B11R2.2 C1=CN(N=C1)C2=CN=CO2 CNP0212222.0 [0,0,0,0,1,0|2,0,0]=3 20 B11R2.2 C1=CN(N=C1)C2=COC=N2 CNP0344033.0 [0,0,0,0,1,0|3,0,0]=4 21 B11R2.2 C1=CN(N=C1)C2=NC=CO2 CNP0145682.0 [0,0,0,0,1,0|2,0,0]=3 22 B11R2.2 C1=CN(N=C1)C2=NOC=C2 CNP0210243.0 [0,0,0,0,1,0|3,0,0]=4 23 B11R2.2 C1=COC(=C1)N2C=CN=N2 CNP0001201.0 [0,0,0,0,1,0|2,0,0]=3 24 B11R2.2 C1=COC(=C1)N2C=NC=N2 CNP0387048.0 [0,0,0,0,1,0|2,0,0]=3 25 B11R2.2 C1=COC(=C1)N2C=NN=C2 CNP0081635.0 [0,0,0,0,1,0|2,0,0]=3 26 B11R2.2 C1=COC(=C1)N2N=CC=N2 CNP0272561.0 [0,0,0,0,1,0|2,0,0]=3 27 B13R2.64 C1=CC=C(C=C1)CC2=CC=CO2 CNP0531812.0 [0,0,0,0,0,1|1,0,0]=2 28 B13R2.64 C1=CC=C(C=C1)CN2C=CC=C2 CNP0396842.0 [0,0,0,0,0,1|1,0,0]=2 29 B13R2.64 C1=CC=C(C=C1)CN2C=CN=C2 CNP0071283.0 [0,0,0,0,0,1|2,0,0]=3 30 B13R2.183 C(=NN1C=NN=C1)C2=CC=CO2 CNP0469452.0 [0,0,0,0,0,1|2,0,1]=4 31 B13R2.183 C1=COC(=C1)CCN2C=CC=C2 CNP0604724.0 [0,0,0,0,0,1|0,0,0]=1 32 B10R1.21 CCC=CCC1=CC=CO1 CNP0453749.0 [1,0,1,0,0,0|0,0,2]=4 33 B12R1.51 CC=CC(=O)OCC1=CC=CO1 CNP0506624.0 [0,1,1,0,0,0|1,0,1]=4 34 B14R2.114 O=C(C1=CC=CC=C1)N2C=CC=C2 CNP0340187.0 [0,1,0,0,0,1|1,0,1]=4 35 B14R2.114 O[C@@H](C1=CC=CN=C1)C2=CC=CS2 CNP0022892.1 [0,1,0,0,0,1|1,1,0]=4 36 B14R2.114 O[C@H](C1=CC=CN=C1)C2=CC=CS2 CNP0022892.2 [0,1,0,0,0,1|1,1,0]=4 37 B14R2.83 O=CC1=CC=CN1CC2=CC=CO2 CNP0120679.0 [0,2,0,0,0,0|0,0,0]=2 38 B14R2.119 OCC1=CC=C(O1)CC2=CC=CO2 CNP0148898.0 [0,2,0,0,0,0|2,0,0]=4 39 B12R2.2 C1=CC=C(C=C1)C2=CC=CO2 CNP0542507.0 [0,0,1,1,0,0|1,0,1]=4 40 B12R1.8 CC=CC=CCC1=CC=CC=C1 CNP0076593.0 [0,0,1,0,0,1|2,0,0]=4 41 B14R2.6 C1=CC=C(C=C1)CC2=CC=CN=C2 CNP0501844.0 [0,0,0,0,0,2|2,0,0]=4 42 B14R2.6 C1=CC=C(C=C1)CC2=CC=NC=C2 CNP0350032.0 [0,0,0,0,0,2|2,0,0]=4 43 B14R2.6 C1=CC=C(C=C1)C[N+]2=CC=CC=C2 CNP0595004.0 [0,0,0,0,0,2|1,0,1]=4 44 B14R2.322 C1=COC(=C1)COCC2=CC=CO2 CNP0387559.0 [0,0,0,0,0,2|2,0,0]=4 45 B14R2.322 C1=COC(=C1)CSCC2=CC=CO2 CNP0002404.0 [0,0,0,0,0,2|2,0,0]=4