0 B12R2.612 CC1=CC2=C(C=C1)C(I)=NN2 4046881 [0,0,0,0,0,0|3,0,0]=3 1 B12R2.612 CC1=CC=C2C(N)=NNC2=N1 4030564 [0,0,0,0,0,0|4,0,0]=4 2 B12R2.612 CC1=NOC2=CC(O)=CC=C21 4043535 [0,0,0,0,0,0|2,0,0]=2 3 B12R2.612 CN1N=CC2=C1C=CC(N)=C2 4029281 [0,0,0,0,0,0|4,0,0]=4 4 B12R2.612 CN1N=NC2=C1C=CC(N)=C2 4021788 [0,0,0,0,0,0|4,0,0]=4 5 B12R2.612 CN1N=NC2=CC(Br)=CC=C21 4110853 [0,0,0,0,0,0|3,1,0]=4 6 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 4031120 [0,0,0,0,0,0|3,0,1]=4 7 B11R2.1 BrC1=NN=C2C=CC=CN12 4045654 [1,0,0,0,0,0|3,0,0]=4 8 B11R2.1 BrC1=NNC2=NC=CC=C12 4045670 [1,0,0,0,0,0|3,0,0]=4 9 B11R2.1 CC1=NNC2=CC=CC=C21 4041962 [1,0,0,0,0,0|2,0,0]=3 10 B11R2.1 IC1=NNC2=CC=CC=C21 4027330 [1,0,0,0,0,0|2,0,0]=3 11 B11R2.1 NC1=NN=C2C=CC=CN12 4006052 [1,0,0,0,0,0|3,0,0]=4 12 B11R2.1 NC1=NNC2=NC=CC=C12 4030179 [1,0,0,0,0,0|3,0,0]=4 13 B11R2.1 NC1=NOC2=C1C=CC=N2 4031139 [1,0,0,0,0,0|2,0,0]=3 14 B11R2.1 NC1=NOC2=C1N=CC=N2 4046744 [1,0,0,0,0,0|3,0,0]=4 15 B11R2.1 NC1COC2=CC=CC=C21 4018205 [1,0,0,0,0,0|2,0,1]=4 16 B11R2.1 O=C1NCC2=CC=CC=C12 4041876 [1,0,0,0,0,0|1,0,2]=4 17 B11R2.36 BrC1=CC2=C(C=C1)CCO2 4070587 [1,0,0,0,0,0|1,1,1]=4 18 B11R2.36 BrC1=CC2=C(C=C1)NN=N2 4028954 [1,0,0,0,0,0|2,1,0]=4 19 B11R2.36 CC1=CC=C2NN=CC2=C1 4028132 [1,0,0,0,0,0|3,0,0]=4 20 B11R2.36 ClC1=CC=C2NN=CC2=C1 4028691 [1,0,0,0,0,0|2,0,0]=3 21 B11R2.36 FC1=CC=C2NN=CC2=C1 4028455 [1,0,0,0,0,0|2,1,0]=4 22 B11R2.36 NC1=CC=C2SN=CC2=C1 4044159 [1,0,0,0,0,0|3,0,0]=4 23 B11R2.36 OC1=CC=C2C=NOC2=C1 4036298 [1,0,0,0,0,0|1,0,0]=2 24 B13R2.11642 CC1=C2C(=O)COC2=CC(O)=C1 4030217 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.24 C=CCOC1=CC=CC(N)=C1 4023582 [0,0,1,0,0,0|3,0,0]=4 26 B11R1.24 NC1=CC=CC(OCCO)=C1 4030762 [0,0,1,0,0,0|2,0,1]=4 27 B11R1.24 NCCOC1=CC(Cl)=CC=C1 4015036 [0,0,1,0,0,0|2,0,1]=4 28 B11R1.37 COC1=CC(C)=CC=C1C=O 4004828 [0,0,1,0,0,0|2,0,1]=4 29 B11R1.166 NC(=O)C1=CC=C(Cl)C=C1N 4033628 [0,0,1,0,0,0|1,0,2]=4 30 B11R1.166 O=C(O)C1=C(O)C=C(O)N=C1 4041390 [0,0,1,0,0,0|3,0,0]=4 31 B13R2.3683 NC1=CC=C2NC(=O)COC2=C1 4029774 [0,0,0,0,0,1|2,0,1]=4 32 B13R2.5179 O=C1C=COC2=CC(Br)=CC=C12 4045139 [0,0,0,0,0,1|1,1,1]=4 33 B13R2.5179 O=C1CCOC2=CC(Br)=CC=C12 4045086 [0,0,0,0,0,1|1,1,1]=4 34 B10R1.13 CC1=CC=C(B(O)O)C=C1 4200596 [1,0,1,0,0,0|2,0,0]=4 35 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 4012620 [1,0,1,0,0,0|1,1,0]=4 36 B10R1.13 N=C(N)C1=CC=C(F)C=C1 4031955 [1,0,1,0,0,0|1,1,0]=4 37 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 4089129 [1,0,1,0,0,0|1,0,0]=3 38 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 4201816 [1,0,1,0,0,0|1,0,0]=3 39 B10R1.25 CC1=CC=C(C=O)C(O)=C1 4002351 [1,0,1,0,0,0|1,0,1]=4 40 B10R1.30 COC1=CC(N)=CC=C1O 4030053 [1,0,1,0,0,0|2,0,0]=4 41 B10R2.7 C1=CN=C2NN=CC2=C1 4031574 [2,0,0,0,0,0|2,0,0]=4 42 B12R1.226 CC1=CC(OCC(=O)O)=CC=C1 3001595 [0,1,1,0,0,0|2,0,0]=4 43 B12R1.226 N=C(N)COC1=CC=CC(Cl)=C1 4013689 [0,1,1,0,0,0|2,0,0]=4 44 B12R1.226 N=C(N)COC1=CC=CC(Cl)=C1 4089232 [0,1,1,0,0,0|2,0,0]=4 45 B12R1.226 NC1=CC(OCC(=O)O)=CC=C1 4027053 [0,1,1,0,0,0|2,0,0]=4 46 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 3013974 [0,1,1,0,0,0|1,1,0]=4 47 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 5871696 [0,1,1,0,0,0|1,1,0]=4 48 B12R1.232 NC1=CC(C(=O)O)=C(Cl)C=C1Cl 4023547 [0,1,1,0,0,0|2,0,0]=4 49 B12R2.132 CC1=CC=C2NN=C(I)C2=C1 4028371 [1,1,0,0,0,0|2,0,0]=4 50 B12R2.132 FC1=CC=C2NN=C(I)C2=C1 4028769 [1,1,0,0,0,0|2,0,0]=4 51 B12R2.132 NC1=CC2=C(C=C1)NN=C2O 4048302 [1,1,0,0,0,0|1,0,0]=3 52 B12R2.132 NC1=NNC2=C1C=C(Br)C=C2 4030983 [1,1,0,0,0,0|2,0,0]=4 53 B12R2.132 OC1=CC=C2ON=C(Cl)C2=C1 4086352 [1,1,0,0,0,0|1,0,0]=3 54 B12R2.203 NC1=NNC2=C1C(F)=CC=C2 4031326 [1,1,0,0,0,0|2,0,0]=4 55 B12R2.2028 CN1N=C(I)C2=CC=CC=C21 4026950 [1,1,0,0,0,0|2,0,0]=4 56 B12R2.2028 CN1N=C(N)C2=C1C=CC=C2 4026945 [1,1,0,0,0,0|2,0,0]=4 57 B12R2.606 NC1=NC2=CC=C(Cl)C=C2O1 4044888 [1,1,0,0,0,0|2,0,0]=4 58 B14R2.8239 CC1=CC2=C(C=C1Cl)OCC(=O)N2 4034127 [0,1,0,0,0,1|1,0,1]=4