0 B11R1.3 CN(C)C1=NC=C(CO)C=C1 4090657 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 4030428 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.3 CCC1=CC=C(C=O)N=C1 4019624 [1,0,0,0,0,0|1,0,2]=4 3 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4088632 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.13 CC(C)C1=CNC(=O)N=C1 4089680 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.13 CC(C)C1=NN=C(Cl)C=C1 4045063 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.13 CC1=CC=C(C(C)N)C=C1 3002653 [1,0,0,0,0,0|1,0,0]=2 7 B10R1.13 CC1=NC=C(C(C)N)C=C1 4014888 [1,0,0,0,0,0|2,0,0]=3 8 B12R1.5 CNC(=O)C1=CC=C(CN)C=C1 4089085 [0,1,0,0,0,0|2,0,1]=4 9 B12R1.6 COC1=CC=C(C(C)(C)N)C=C1 4089640 [0,1,0,0,0,0|2,0,0]=3 10 B12R1.113 CCCC1=CC=C(C(C)N)C=C1 3006607 [0,1,0,0,0,0|2,0,0]=3 11 B12R1.256 CC(C)C1=CC=C(C(C)N)C=C1 3006173 [0,1,0,0,0,0|1,0,0]=2 12 B12R1.256 OB(O)C1=CC=C(C(F)F)C=C1 4048086 [0,1,0,0,0,0|3,0,0]=4 13 B10R1.31 CC(C)C1=NOC(CN)=C1 4091038 [0,0,0,0,1,0|3,0,0]=4 14 B10R1.31 CC(C)N1C=C(CN)C=N1 4010687 [0,0,0,0,1,0|3,0,0]=4 15 B12R1.4 CN(C)CC1=CC=C(CN)C=C1 4089084 [0,0,0,0,0,1|2,0,0]=3 16 B9R1.1 CC1=CN=C(CN)C=C1 4010338 [2,0,0,0,0,0|2,0,0]=4 17 B9R1.1 CC1=CN=C(CN)C=C1 4089721 [2,0,0,0,0,0|2,0,0]=4 18 B9R1.1 CCC1=CN=C(O)N=C1 4090949 [2,0,0,0,0,0|2,0,0]=4 19 B9R1.6 CC(N)C1=CC=NC=C1 3002627 [2,0,0,0,0,0|2,0,0]=4 20 B9R1.6 CC(N)C1=CN=CC=C1 3002415 [2,0,0,0,0,0|2,0,0]=4 21 B9R1.6 CC(N)C1=NC=CC=C1 3001612 [2,0,0,0,0,0|2,0,0]=4 22 B11R1.83 CCC1=CC=C(CNN)C=C1 4090815 [1,1,0,0,0,0|1,0,0]=3 23 B11R1.83 COC1=CC=C(CNN)C=C1 4085299 [1,1,0,0,0,0|2,0,0]=4 24 B11R1.21 CC(N)C1=CC(F)=C(O)C=C1 4031422 [1,1,0,0,0,0|1,0,0]=3 25 B11R1.21 CC(N)C1=CC(F)=C(O)C=C1 4089355 [1,1,0,0,0,0|1,0,0]=3 26 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 3002119 [1,1,0,0,0,0|2,0,0]=4 27 B11R1.22 CCC(N)C1=CC=C(O)C=C1 4088665 [1,1,0,0,0,0|1,0,0]=3 28 B11R1.22 CNC(C)C1=CC=C(Cl)C=C1 4088802 [1,1,0,0,0,0|1,0,0]=3 29 B11R1.166 CC(N)C1=C(Cl)C=C(Cl)C=C1 3002301 [1,1,0,0,0,0|2,0,0]=4 30 B11R1.166 CC(N)C1=CC=C(F)C=C1F 4089525 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.166 CN(C)C1=C(Cl)C=C(N)C=C1 4088067 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.166 CN(C)C1=C(N)C=C(Br)C=C1 4089293 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.45 CC(C)(C)C1=CSC(CO)=N1 4088588 [0,1,0,0,1,0|2,0,0]=4 34 B11R1.175 CC(C)C1=CC(C(=O)O)=CS1 3007509 [0,1,0,0,1,0|1,0,1]=4 35 B13R1.36 CN(C)C(=O)C1=CC=C(CN)C=C1 4090069 [0,1,0,0,0,1|2,0,0]=4 36 B13R1.142 CC(C)OC1=CC=C(CCN)C=C1 4091056 [0,1,0,0,0,1|1,0,0]=3 37 B13R1.585 CN(C)CC1=CC=C(C(=O)O)C=C1 4089981 [0,1,0,0,0,1|1,0,1]=4 38 B13R1.653 CC(C)OC1=C(Cl)C=C(C=O)C=C1 6442605 [0,1,0,0,0,1|0,0,2]=4 39 B13R1.139 CCC(C)C1=CC=C(N=C=O)C=C1 3002043 [0,2,0,0,0,0|0,0,2]=4 40 B13R1.140 CCOC1=CC=C(C(C)(C)N)C=C1 4088488 [0,2,0,0,0,0|1,0,0]=3 41 B13R1.74 CC(C)C1=CC=C(OCCN)C=C1 3002253 [0,2,0,0,0,0|1,0,0]=3 42 B13R2.430 CC(N)C1=CC2=C(C=C1)OCO2 3002365 [0,1,0,1,0,0|1,0,0]=3 43 B13R2.428 OB(O)C1=CC=C(C2CC2)C=C1 4038021 [0,1,0,1,0,0|1,0,0]=3 44 B9R1.21 CCC1=NC(CO)=CS1 4090454 [1,0,0,0,1,0|2,0,0]=4 45 B11R1.20 CC(C)NC1=NC=C(N)C=C1 4035510 [1,0,0,0,0,1|2,0,0]=4 46 B11R1.266 CN(C)C1=NC=CC(CO)=C1 4089246 [0,0,0,0,1,1|1,0,0]=3