0 B11R1.3 CN(C)C1=NC=C(CO)C=C1 4090657 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.3 CCC1=CC=C(C=O)N=C1 4019624 [1,0,0,0,0,0|1,0,0]=2 2 B10R1.13 CC(C)C1=CNC(=O)N=C1 4089680 [1,0,0,0,0,0|2,0,0]=3 3 B10R1.13 CC(C)C1=NN=C(Cl)C=C1 4045063 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.13 CC1=CC=C(C(C)N)C=C1 3002653 [1,0,0,0,0,0|1,0,1]=3 5 B10R1.13 CC1=NC=C(C(C)N)C=C1 4014888 [1,0,0,0,0,0|2,0,1]=4 6 B12R1.6 COC1=CC=C(C(C)(C)N)C=C1 4089640 [0,1,0,0,0,0|2,0,0]=3 7 B12R1.6 NS(=O)(=O)C1=CC=C(C=O)C=C1 3002297 [0,1,0,0,0,0|3,0,0]=4 8 B12R1.113 CCCC1=CC=C(C(C)N)C=C1 3006607 [0,1,0,0,0,0|2,0,1]=4 9 B12R1.256 CC(C)C1=CC=C(C(C)N)C=C1 3006173 [0,1,0,0,0,0|1,0,1]=3 10 B10R1.31 CC(C)C1=NC(C=O)=CO1 4037305 [0,0,0,0,1,0|2,0,0]=3 11 B10R1.31 CN(C)C1=NC=C(C=O)S1 4013292 [0,0,0,0,1,0|3,0,0]=4 12 B12R1.4 CN(C)CC1=CC=C(CN)C=C1 4089084 [0,0,0,0,0,1|2,0,1]=4 13 B9R1.6 CC(N)C1=CC=NC=C1 3002627 [2,0,0,0,0,0|2,0,0]=4 14 B9R1.6 CC(N)C1=CN=CC=C1 3002415 [2,0,0,0,0,0|2,0,0]=4 15 B9R1.6 CC(N)C1=NC=CC=C1 3001612 [2,0,0,0,0,0|2,0,0]=4 16 B11R1.83 CCC1=CC=C(CNN)C=C1 4090815 [1,1,0,0,0,0|1,0,1]=4 17 B11R1.21 CC(N)C1=CC(F)=C(O)C=C1 4031422 [1,1,0,0,0,0|1,0,1]=4 18 B11R1.21 CC(N)C1=CC(F)=C(O)C=C1 4089355 [1,1,0,0,0,0|1,0,1]=4 19 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 3002119 [1,1,0,0,0,0|2,0,0]=4 20 B11R1.22 CCC(N)C1=CC=C(O)C=C1 4088665 [1,1,0,0,0,0|1,0,1]=4 21 B11R1.22 CNC(C)C1=CC=C(Cl)C=C1 4088802 [1,1,0,0,0,0|1,0,0]=3 22 B11R1.166 CC(N)C1=C(Cl)C=C(Cl)C=C1 3002301 [1,1,0,0,0,0|2,0,0]=4 23 B11R1.166 CC(N)C1=CC=C(F)C=C1F 4089525 [1,1,0,0,0,0|2,0,0]=4 24 B11R1.166 CN(C)C1=C(Cl)C=C(N)C=C1 4088067 [1,1,0,0,0,0|2,0,0]=4 25 B11R1.166 CN(C)C1=C(N)C=C(Br)C=C1 4089293 [1,1,0,0,0,0|2,0,0]=4 26 B11R1.175 CC(C)C1=CC(C(=O)O)=CS1 3007509 [0,1,0,0,1,0|1,0,0]=3 27 B11R1.175 CC(C)C1=CSC(C(=O)O)=N1 4090257 [0,1,0,0,1,0|2,0,0]=4 28 B13R1.142 CC(C)OC1=CC=C(CCN)C=C1 4091056 [0,1,0,0,0,1|1,0,1]=4 29 B13R1.585 CN(C)CC1=CC=C(C(=O)O)C=C1 4089981 [0,1,0,0,0,1|1,0,0]=3 30 B13R1.653 CC(C)OC1=C(Cl)C=C(C=O)C=C1 6442605 [0,1,0,0,0,1|0,0,0]=2 31 B13R1.139 CCC(C)C1=CC=C(N=C=O)C=C1 3002043 [0,2,0,0,0,0|0,0,1]=3 32 B13R1.187 CNS(=O)(=O)C1=CC=C(C=O)C=C1 4002854 [0,2,0,0,0,0|2,0,0]=4 33 B13R1.140 CCOC1=CC=C(C(C)(C)N)C=C1 4088488 [0,2,0,0,0,0|1,0,1]=4 34 B13R1.338 CC(N)C1=CC=C(S(C)(=O)=O)C=C1 4089704 [0,2,0,0,0,0|2,0,0]=4 35 B13R1.120 CC1=NC(C(C)C)=NC=C1C(=O)O 4035107 [0,2,0,0,0,0|2,0,0]=4 36 B13R1.74 CC(C)C1=CC=C(OCCN)C=C1 3002253 [0,2,0,0,0,0|1,0,1]=4 37 B11R2.21 O=CC1=CC(C2CC2)=NN1 4019850 [0,0,0,1,1,0|2,0,0]=4 38 B13R2.428 OB(O)C1=CC=C(C2CC2)C=C1 4038021 [0,1,0,1,0,0|1,0,1]=4 39 B9R1.21 CCN1C=CC(C=O)=N1 4030460 [1,0,0,0,1,0|2,0,0]=4 40 B11R1.20 CC(C)NC1=NC=C(N)C=C1 4035510 [1,0,0,0,0,1|2,0,0]=4