0 B9R1.69 CC1=CC(=O)C(O)=CO1 4045348 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.69 CC1=CN=C(N)C(C)=C1 4090966 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.69 CC1=CN=C(O)N=C1C 4089252 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.3 CC1=CN=C(O)N=C1 4090925 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.22 CC1=CC(Cl)=NC(C)=C1C 4040134 [0,1,0,0,0,0|3,0,0]=4 5 B10R1.22 CC1=CC(N)=CC(C)=C1O 4089353 [0,1,0,0,0,0|3,0,0]=4 6 B10R1.22 CC1=NC(Cl)=C(Cl)C(O)=N1 4049516 [0,1,0,0,0,0|3,0,0]=4 7 B10R1.25 CC1=CC(C)=C(CN)C=N1 4003180 [0,1,0,0,0,0|2,0,0]=3 8 B10R1.25 NCC1=C(O)C=C(O)C=C1 4089662 [0,1,0,0,0,0|1,0,0]=2 9 B10R1.30 CCC1=C(N)C=CC(I)=C1 4091033 [0,1,0,0,0,0|3,0,0]=4 10 B10R1.30 CCC1=CC(Cl)=CC=C1N 4091185 [0,1,0,0,0,0|3,0,0]=4 11 B10R1.119 CC1=C(Cl)C(N)=CC=C1Cl 4089648 [0,1,0,0,0,0|3,0,0]=4 12 B10R1.119 CC1=CC=C(N)C(N)=C1C 3002687 [0,1,0,0,0,0|2,0,0]=3 13 B8R1.18 CC1=NN(C)C=C1N 4087920 [0,0,0,0,1,0|3,0,0]=4 14 B8R1.18 CC1=NN(C)C=C1N 4088249 [0,0,0,0,1,0|3,0,0]=4 15 B8R1.50 CC1=NNC(C)=C1F 3001804 [0,0,0,0,1,0|3,0,0]=4 16 B8R1.50 CC1=NNC(C)=C1I 3002644 [0,0,0,0,1,0|3,0,0]=4 17 B9R1.1 CC1=CN=C(CN)C=C1 4010338 [1,1,0,0,0,0|1,0,0]=3 18 B9R1.1 CC1=CN=C(CN)C=C1 4089721 [1,1,0,0,0,0|1,0,0]=3 19 B9R1.1 CC1=NC=C(CCl)N=C1 4090045 [1,1,0,0,0,0|2,0,0]=4 20 B9R1.2 CC1=CC(CN)=NC=C1 4088971 [1,1,0,0,0,0|2,0,0]=4 21 B9R1.2 CC1=CC(NN)=NC=C1 4032386 [1,1,0,0,0,0|2,0,0]=4 22 B9R1.2 CC1=CC=CC(NN)=N1 4089071 [1,1,0,0,0,0|2,0,0]=4 23 B9R1.2 CC1=NC=CC(CCl)=C1 4089416 [1,1,0,0,0,0|2,0,0]=4 24 B9R1.2 CC1=NC=CC(NN)=C1 4088178 [1,1,0,0,0,0|2,0,0]=4 25 B9R1.2 CCC1=CC=NC(O)=N1 4043209 [1,1,0,0,0,0|2,0,0]=4 26 B9R1.2 CNC1=CC(Cl)=CC=C1 3020438 [1,1,0,0,0,0|1,0,0]=3 27 B9R1.2 NCC1=CC(Cl)=NC=C1 4088253 [1,1,0,0,0,0|2,0,0]=4 28 B9R1.2 NCC1=CC(O)=NC=N1 4089851 [1,1,0,0,0,0|2,0,0]=4 29 B9R1.2 NCC1=CC(O)=NC=N1 4110390 [1,1,0,0,0,0|2,0,0]=4 30 B9R1.2 NCC1=NC=CC(O)=C1 4014665 [1,1,0,0,0,0|1,0,0]=3 31 B9R1.2 OCC1=NC=CC(Cl)=C1 4088987 [1,1,0,0,0,0|2,0,0]=4 32 B9R1.15 CC1=C(CCl)C=CN=C1 4010334 [1,1,0,0,0,0|2,0,0]=4 33 B9R1.15 CC1=C(CCl)N=CC=C1 4088897 [1,1,0,0,0,0|2,0,0]=4 34 B9R1.15 CC1=C(CN)C=CN=C1 4088420 [1,1,0,0,0,0|2,0,0]=4 35 B9R1.15 CC1=C(NN)C=CN=C1 4088209 [1,1,0,0,0,0|2,0,0]=4 36 B9R1.15 CC1=NC=CC=C1CCl 4088270 [1,1,0,0,0,0|2,0,0]=4 37 B9R1.15 CCC1=CC=CN=C1Cl 4037222 [1,1,0,0,0,0|2,0,0]=4 38 B9R1.132 CC1=C(C)C(CO)=CS1 4027732 [0,1,0,0,1,0|2,0,0]=4 39 B11R1.37 COC1=C(C=O)C=C(C)N=C1 4067969 [0,2,0,0,0,0|1,0,1]=4 40 B11R1.81 CC1=CC(Cl)=C(N=C=O)C=C1 3001940 [0,2,0,0,0,0|1,0,1]=4 41 B11R1.166 CC(N)C1=C(Cl)C=C(Cl)C=C1 3002301 [0,2,0,0,0,0|2,0,0]=4 42 B11R1.166 CC(N)C1=CC=C(F)C=C1F 4089525 [0,2,0,0,0,0|2,0,0]=4 43 B11R1.166 CN(C)C1=C(Cl)C=C(N)C=C1 4088067 [0,2,0,0,0,0|2,0,0]=4 44 B11R1.166 CN(C)C1=C(N)C=C(Br)C=C1 4089293 [0,2,0,0,0,0|2,0,0]=4 45 B11R1.278 CC1=CNC(CN)=C(C)C1=O 4089515 [0,2,0,0,0,0|1,0,1]=4 46 B11R1.167 CC1=CC=C(N)C=C1C(C)C 4022447 [0,2,0,0,0,0|2,0,0]=4 47 B11R1.167 CC1=CC=C(N)C=C1C(C)C 4088194 [0,2,0,0,0,0|2,0,0]=4 48 B11R1.21 CC(N)C1=CC(F)=C(O)C=C1 4031422 [0,2,0,0,0,0|2,0,0]=4 49 B11R1.21 CC(N)C1=CC(F)=C(O)C=C1 4089355 [0,2,0,0,0,0|2,0,0]=4 50 B11R1.192 CCOC1=CC=C(N)C(F)=C1 4088072 [0,2,0,0,0,0|2,0,0]=4 51 B9R1.35 CC1=CC=C(C(=O)O)S1 3001579 [0,0,1,1,0,0|2,0,0]=4 52 B11R2.36 NC1=CC2=C(C=C1)NCC2 3020471 [0,1,0,1,0,0|2,0,0]=4 53 B7R1.2 CC1=COC(C)=C1 4091270 [1,0,0,0,1,0|1,0,0]=3 54 B7R1.2 CC1=NN(C)C=C1 3020421 [1,0,0,0,1,0|2,0,0]=4