0 B6R1.1 C1=CCONC1 4044151 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.3 NC1=NN=CC=C1 4030375 [0,1,0,0,0,0|2,0,0]=3 2 B5R1.1 C1=CSN=C1 4036435 [0,0,0,0,1,0|1,0,0]=2 3 B6R1.2 BrC1=CNN=N1 4036633 [0,1,0,0,1,0|1,0,1]=4 4 B6R1.2 BrC1=CSC=N1 4108309 [0,1,0,0,1,0|1,0,0]=3 5 B6R1.2 BrC1=CSN=C1 4039606 [0,1,0,0,1,0|1,0,0]=3 6 B6R1.2 BrC1=NC=CO1 4039122 [0,1,0,0,1,0|1,0,0]=3 7 B6R1.2 CC1=NNC=N1 4035655 [0,1,0,0,1,0|1,0,0]=3 8 B6R1.2 ClC1=NN=CS1 4044890 [0,1,0,0,1,0|2,0,0]=4 9 B6R1.2 ClC1=NNC=N1 4017309 [0,1,0,0,1,0|1,0,0]=3 10 B6R1.2 ClC1=NSN=C1 4085357 [0,1,0,0,1,0|1,0,0]=3 11 B6R1.2 IC1=NN=CN1 4036276 [0,1,0,0,1,0|1,0,1]=4 12 B6R1.2 NC1=NN=CO1 4044829 [0,1,0,0,1,0|2,0,0]=4 13 B6R1.2 NC1=NNN=C1 4013407 [0,1,0,0,1,0|1,0,0]=3 14 B6R1.2 NC1=NOC=C1 4034713 [0,1,0,0,1,0|1,0,0]=3 15 B6R1.2 NN1C=NN=C1 4036701 [0,1,0,0,1,0|1,0,1]=4 16 B6R1.2 O=C1NC=CN1 4029600 [0,1,0,0,1,0|0,0,2]=4 17 B6R1.2 OC1=CNN=C1 4037184 [0,1,0,0,1,0|1,0,0]=3 18 B6R1.2 OC1=NN=CO1 4044051 [0,1,0,0,1,0|2,0,0]=4 19 B6R1.2 OC1=NN=CS1 4044252 [0,1,0,0,1,0|2,0,0]=4 20 B8R1.2 BrCC1=CN=CC=C1 4034752 [0,2,0,0,0,0|1,0,0]=3 21 B8R1.2 C#CC1=CN=CN=C1 4035047 [0,2,0,0,0,0|2,0,0]=4 22 B8R1.2 ClCC1=NC=CC=N1 4009659 [0,2,0,0,0,0|2,0,0]=4 23 B8R1.2 N#CC1=CC=CN=N1 4036463 [0,2,0,0,0,0|2,0,0]=4 24 B8R1.2 NNC1=CC=CN=C1 4019584 [0,2,0,0,0,0|1,0,0]=3 25 B8R1.2 NNC1=CC=NC=C1 4100548 [0,2,0,0,0,0|1,0,0]=3 26 B8R1.2 NNC1=NC=CC=N1 4088465 [0,2,0,0,0,0|2,0,0]=4 27 B8R1.2 NNC1=NC=CC=N1 4100952 [0,2,0,0,0,0|2,0,0]=4 28 B8R1.3 BrC1=CN=C(I)C=C1 4045186 [0,2,0,0,0,0|1,0,0]=3 29 B8R1.3 CC1=CN=C(N)N=C1 5264664 [0,2,0,0,0,0|2,0,0]=4 30 B8R1.3 CC1=CN=C(O)N=C1 4044366 [0,2,0,0,0,0|2,0,0]=4 31 B8R1.3 CC1=NC=C(Br)C=N1 4044350 [0,2,0,0,0,0|2,0,0]=4 32 B8R1.3 FC1=CN=C(Br)N=C1 4092756 [0,2,0,0,0,0|2,0,0]=4 33 B8R1.3 NC1=CC=C(I)C=N1 3001813 [0,2,0,0,0,0|1,0,0]=3 34 B8R1.3 OC1=CC=C(O)N=C1 4030644 [0,2,0,0,0,0|1,0,0]=3 35 B8R1.3 OC1=NN=C(Br)C=C1 4035405 [0,2,0,0,0,0|2,0,0]=4 36 B8R1.4 CC1=CC(O)=NN=C1 4108288 [0,2,0,0,0,0|2,0,0]=4 37 B8R1.4 CC1=CC=NC(O)=N1 4040424 [0,2,0,0,0,0|2,0,0]=4 38 B8R1.4 CC1=CC=NC(O)=N1 4089730 [0,2,0,0,0,0|2,0,0]=4 39 B8R1.4 CC1=NC(Cl)=CC=N1 4015462 [0,2,0,0,0,0|2,0,0]=4 40 B8R1.4 CC1=NC=CC(Br)=C1 4014101 [0,2,0,0,0,0|1,0,0]=3 41 B8R1.4 CC1=NC=NC(N)=C1 9072006 [0,2,0,0,0,0|2,0,0]=4 42 B8R1.4 NC1=CC(Br)=CC=N1 4029341 [0,2,0,0,0,0|1,0,0]=3 43 B8R1.4 NC1=CC(Br)=CN=C1 4006048 [0,2,0,0,0,0|1,0,0]=3 44 B8R1.4 OC1=NC(Cl)=CN=C1 4042614 [0,2,0,0,0,0|0,0,0]=2 45 B8R1.5 CC1=C(Br)C=CN=C1 4014100 [0,2,0,0,0,0|1,0,0]=3 46 B8R1.5 CC1=C(Br)C=CN=C1 4090923 [0,2,0,0,0,0|1,0,0]=3 47 B8R1.5 CC1=C(O)N=CN=C1 4043028 [0,2,0,0,0,0|2,0,0]=4 48 B8R1.5 CC1=NC=CN=C1Br 4002958 [0,2,0,0,0,0|0,0,0]=2 49 B8R1.5 NC1=CC=CN=C1O 4034758 [0,2,0,0,0,0|1,0,0]=3