0 B10R1.18 CC(=O)CC1=CC=CN=C1 4090943 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.18 CC(N)CC1=CC=CC=N1 4000001 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.18 CC(N)CC1=CC=NC=C1 4002036 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.18 N=C(N)CC1=CC=CN=C1 4089686 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.18 N=C(N)CC1=NC=CC=C1 4088302 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.8 CNCC1=CC=NC=C1 3002392 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.8 NCCC1=NC=CC=C1 3020070 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 4029051 [0,1,0,0,0,0|2,0,1]=4 8 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 4088960 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.36 N=C(N)[C@@H](O)C1=CC=CC=C1 4079011 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.36 N=C(N)[C@H](O)C1=CC=CC=C1 4052271 [0,1,0,0,0,0|2,0,0]=3 11 B11R1.86 O=C(O)CC1=CN=CNC1=O 4036148 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 4079088 [0,1,0,0,0,0|1,0,0]=2 13 B11R1.157 N=C(N)CC1=CC(Cl)=CC=C1 4027438 [0,1,0,0,0,0|2,0,0]=3 14 B9R1.6 CC(=O)C1=NC=CN=C1 3020083 [0,0,0,0,1,0|3,0,0]=4 15 B9R1.13 O=C(O)CC1=CCCC1 4042684 [0,0,0,0,1,0|0,0,3]=4 16 B9R1.13 O=C(O)CN1C=NC=N1 2402315 [0,0,0,0,1,0|3,0,0]=4 17 B9R1.13 O=C(O)CN1C=NN=C1 4110758 [0,0,0,0,1,0|3,0,0]=4 18 B11R1.91 N=C(N)CCC1=CC=CC=C1 4091002 [0,0,0,0,0,1|2,0,0]=3 19 B11R1.91 N=C(N)NCC1=CC=CC=C1 4087928 [0,0,0,0,0,1|2,0,0]=3 20 B11R1.91 N=C(N)NCC1=CC=CC=C1 4089197 [0,0,0,0,0,1|2,0,0]=3 21 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 3020214 [0,0,0,0,0,1|1,0,1]=3 22 B8R1.2 BrCC1=CN=CC=C1 4090400 [2,0,0,0,0,0|2,0,0]=4 23 B8R1.2 O=CC1=CC=NN=C1 4015481 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.1 CNCC1=CC=C(C)C=C1 4089741 [1,1,0,0,0,0|2,0,0]=4 25 B10R1.1 NNCC1=CC=C(Cl)C=C1 4088846 [1,1,0,0,0,0|2,0,0]=4 26 B10R1.1 NNCC1=CC=C(F)C=C1 4088591 [1,1,0,0,0,0|2,0,0]=4 27 B10R1.4 CC1=C(CNN)C=CC=C1 4089820 [1,1,0,0,0,0|2,0,0]=4 28 B10R1.4 CNCC1=CC=CC=C1C 4090872 [1,1,0,0,0,0|2,0,0]=4 29 B10R1.4 NNCC1=C(Cl)C=CC=C1 4090851 [1,1,0,0,0,0|2,0,0]=4 30 B10R1.4 O=C=NC1=CC=CC=C1Br 3020265 [1,1,0,0,0,0|1,0,1]=4 31 B10R1.10 NNCC1=CC=CC(Cl)=C1 4088727 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 4053875 [1,1,0,0,0,0|1,0,1]=4 33 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 4068902 [1,1,0,0,0,0|1,0,1]=4 34 B10R1.17 NCCSC1=CC=CC=C1 4002675 [1,1,0,0,0,0|1,0,1]=4 35 B10R1.17 NC\C=C\C1=CC=CC=C1 4090564 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4088632 [0,1,0,0,1,0|2,0,0]=4 37 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 4090345 [0,1,0,0,1,0|2,0,0]=4 38 B10R1.13 N=C(N)C1=CC=C(F)C=C1 4089401 [0,1,0,0,1,0|2,0,0]=4 39 B10R1.61 CC(=O)C1=CC=CN=C1Cl 4031453 [0,1,0,0,1,0|2,0,0]=4 40 B10R1.113 N=C(N)C1=CC(F)=CC=C1 4088368 [0,1,0,0,1,0|2,0,0]=4 41 B10R1.54 CC1=CN(CC(=O)O)N=C1 4089617 [0,1,0,0,1,0|2,0,0]=4 42 B10R1.54 CN1C=CC(CC(=O)O)=C1 4400835 [0,1,0,0,1,0|1,0,0]=3 43 B10R1.64 CC1=NC=CN1CC(=O)O 4087837 [0,1,0,0,1,0|2,0,0]=4 44 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 4089836 [0,1,0,0,0,1|0,0,0]=2 45 B12R1.226 C=C(C)COC1=CC=CC(N)=C1 4091020 [0,1,0,0,0,1|2,0,0]=4 46 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 4088669 [0,2,0,0,0,0|2,0,0]=4 47 B12R1.233 O=C(O)CC1=CNC(=O)NC1=O 4014371 [0,2,0,0,0,0|2,0,0]=4 48 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 4090718 [0,2,0,0,0,0|1,0,0]=3 49 B12R1.34 NNC(=O)[C@@H](O)C1=CC=CC=C1 4065828 [0,2,0,0,0,0|1,0,0]=3 50 B12R1.225 NC(C(=O)O)C1=CC=CC(O)=C1 4090636 [0,2,0,0,0,0|0,0,0]=2 51 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 4090016 [0,2,0,0,0,0|0,0,0]=2 52 B12R1.478 CNC(C(=O)O)C1=CN=CC=C1 4141573 [0,2,0,0,0,0|1,0,0]=3 53 B12R1.32 NCCC(=O)NC1=CC=CC=C1 4089528 [0,2,0,0,0,0|2,0,0]=4 54 B12R1.50 CCC(=O)NC1=CC=CC(N)=C1 3003097 [0,2,0,0,0,0|2,0,0]=4 55 B12R1.371 NCC(=O)NC1=CC=CC=C1Br 4090170 [0,2,0,0,0,0|2,0,0]=4 56 B12R1.371 NNC(=O)CC1=C(Cl)C=CC=C1 3015351 [0,2,0,0,0,0|1,0,0]=3 57 B12R1.101 CC1=CC(CC(=O)O)=CC(C)=N1 4054900 [0,2,0,0,0,0|1,0,0]=3 58 B12R1.119 NC1=CC=CC(CS(N)(=O)=O)=C1 4043852 [0,2,0,0,0,0|1,0,1]=4 59 B12R2.606 CC1=CC2=C(C=CC(N)=C2)O1 4088493 [0,1,0,1,0,0|1,0,1]=4 60 B12R2.606 CC1CC2=CC(N)=CC=C2O1 4090689 [0,1,0,1,0,0|1,0,1]=4 61 B12R2.606 ClC1=CC=C2OC(Cl)=NC2=C1 3003003 [0,1,0,1,0,0|2,0,0]=4 62 B12R2.606 NC1=CC2=C(C=C1)CC(=O)N2 4087893 [0,1,0,1,0,0|1,0,0]=3 63 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 4006397 [0,1,0,1,0,0|1,0,0]=3 64 B12R2.18 NC1C(=O)NC2=C1C=CC=C2 4090819 [0,1,0,1,0,0|1,0,0]=3 65 B12R2.32 NCC1=NC2=CC=CC=C2O1 4090316 [0,1,0,1,0,0|2,0,0]=4 66 B12R2.202 CC1=CC2=C(O1)C(N)=CC=C2 4090979 [0,1,0,1,0,0|1,0,1]=4 67 B8R1.8 OCCC1=CC=CO1 4039978 [1,0,0,0,1,0|1,0,1]=4