0 B10R1.3 CCC1=CC=C(C=O)N=C1 4019624 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.1 CC1=CN=C(CN)C=C1 4010338 [1,0,0,0,0,0|2,0,1]=4 2 B9R1.1 CC1=CN=C(CN)C=C1 4089721 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.1 CCC1=CN=C(O)N=C1 4090949 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.3 CSC1=CC=C(C(=N)N)C=C1 4088176 [0,1,0,0,0,0|2,0,0]=3 5 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 4030428 [0,1,0,0,0,0|1,0,0]=2 6 B11R1.3 O=C(O)C1=NC=C(CO)N=C1 4077916 [0,1,0,0,0,0|3,0,0]=4 7 B11R1.83 CCC1=CC=C(CNN)C=C1 4090815 [0,1,0,0,0,0|1,0,1]=3 8 B11R1.83 COC1=CC=C(CNN)C=C1 4085299 [0,1,0,0,0,0|2,0,1]=4 9 B9R1.21 CCN1C=CC(C=O)=N1 4030460 [0,0,0,0,1,0|2,0,0]=3 10 B8R1.2 BrCC1=CN=CC=C1 4090400 [2,0,0,0,0,0|2,0,0]=4 11 B8R1.2 O=CC1=CC=NN=C1 4015481 [2,0,0,0,0,0|2,0,0]=4 12 B10R1.1 CNCC1=CC=C(C)C=C1 4089741 [1,1,0,0,0,0|0,0,1]=3 13 B10R1.1 CNCC1=CC=C(Cl)N=C1 4088428 [1,1,0,0,0,0|2,0,0]=4 14 B10R1.1 NNCC1=CC=C(Cl)C=C1 4088846 [1,1,0,0,0,0|2,0,0]=4 15 B10R1.1 NNCC1=CC=C(F)C=C1 4088591 [1,1,0,0,0,0|2,0,0]=4 16 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4088632 [1,1,0,0,0,0|1,0,0]=3 17 B10R1.13 CC(C)C1=CNC(=O)N=C1 4089680 [1,1,0,0,0,0|2,0,0]=4 18 B10R1.13 CC1=CC=C(C(C)N)C=C1 3002653 [1,1,0,0,0,0|0,0,1]=3 19 B10R1.13 CC1=NC=C(C(C)N)C=C1 4014888 [1,1,0,0,0,0|1,0,1]=4 20 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 4090345 [1,1,0,0,0,0|2,0,0]=4 21 B10R1.13 N=C(N)C1=CC=C(F)C=C1 4089401 [1,1,0,0,0,0|2,0,0]=4 22 B10R1.25 NCC1=C(O)C=C(O)C=C1 4089662 [1,1,0,0,0,0|1,0,1]=4 23 B10R1.31 CC(C)C1=NC(C=O)=CO1 4037305 [0,1,0,0,1,0|2,0,0]=4 24 B10R1.31 CCC1=CC(C(=O)O)=CS1 3007503 [0,1,0,0,1,0|1,0,0]=3 25 B10R1.31 CCC1=CC=C(C(=O)O)N1 4043364 [0,1,0,0,1,0|1,0,0]=3 26 B10R1.31 CCC1=NC(C(=O)O)=CO1 3002816 [0,1,0,0,1,0|2,0,0]=4 27 B10R1.31 COC1=CC=C(C(=O)O)O1 4001967 [0,1,0,0,1,0|2,0,0]=4 28 B10R1.31 NCC1=CC=C(C(=O)O)O1 4089807 [0,1,0,0,1,0|2,0,0]=4 29 B10R1.96 CCCC1=CC=C(C=O)O1 4028093 [0,1,0,0,1,0|1,0,0]=3 30 B10R1.96 COCC1=CC=C(C=O)O1 4301975 [0,1,0,0,1,0|1,0,0]=3 31 B12R1.5 CNC(=O)C1=CC=C(CN)C=C1 4089085 [0,2,0,0,0,0|1,0,0]=3 32 B12R1.6 COC1=CC=C(C(C)(C)N)C=C1 4089640 [0,2,0,0,0,0|2,0,0]=4 33 B12R1.6 NS(=O)(=O)C1=CC=C(C=O)C=C1 3002297 [0,2,0,0,0,0|2,0,0]=4 34 B12R1.48 COC1=C(O)C=C(C(=O)O)N=C1 4088767 [0,2,0,0,0,0|2,0,0]=4 35 B12R1.113 CCCC1=CC=C(C(C)N)C=C1 3006607 [0,2,0,0,0,0|1,0,1]=4 36 B12R1.113 CCNC1=NC=C(C(=O)O)C=N1 4025321 [0,2,0,0,0,0|2,0,0]=4 37 B12R1.113 CCOC1=CC=C(C(=O)O)C=N1 3002371 [0,2,0,0,0,0|1,0,0]=3 38 B12R1.113 CNCC1=CC=C(C(=O)O)C=C1 4089273 [0,2,0,0,0,0|0,0,0]=2 39 B12R1.256 CC(C)C1=CC=C(C(C)N)C=C1 3006173 [0,2,0,0,0,0|1,0,1]=4 40 B12R1.4 CN(C)CC1=CC=C(CN)C=C1 4089084 [0,2,0,0,0,0|1,0,1]=4 41 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 4088669 [0,2,0,0,0,0|2,0,0]=4 42 B12R1.71 CCC1=CC=C(OCCN)C=C1 3002940 [0,2,0,0,0,0|1,0,1]=4 43 B12R1.288 COC1=CC=C(N=C=O)C=C1F 3003103 [0,2,0,0,0,0|1,0,1]=4 44 B12R2.44 COC1=CC2=C(C=C1)NC=C2 3020313 [0,1,0,1,0,0|2,0,0]=4 45 B12R2.44 O=CC1=CC2=NON=C2C=C1 4003957 [0,1,0,1,0,0|2,0,0]=4 46 B8R1.1 CC1=CNC(C=O)=C1 4036719 [1,0,0,0,1,0|1,0,0]=3 47 B8R1.1 CC1=NC(C=O)=CO1 4038328 [1,0,0,0,1,0|2,0,0]=4 48 B8R1.1 CC1=NC=C(C=O)S1 4301186 [1,0,0,0,1,0|2,0,0]=4 49 B8R1.1 CN1C=C(C=O)C=N1 4301129 [1,0,0,0,1,0|2,0,0]=4