0 B5R1.1 C1CNNC1 BB31-6290 [0,0,0,0,0,0|1,0,3]=4 1 B5R1.1 C1CNOC1 BB31-7828 [0,0,0,0,0,0|1,0,3]=4 2 B6R1.2 BrC1=CC=NN1 BB52-6941 [0,1,0,0,0,0|1,0,0]=2 3 B6R1.2 BrC1=COC=N1 BB31-9969 [0,1,0,0,0,0|1,0,1]=3 4 B6R1.2 BrC1=NC=CO1 BB31-1167 [0,1,0,0,0,0|1,0,1]=3 5 B6R1.2 CC1=CNN=C1 BB32-2485 [0,1,0,0,0,0|1,0,0]=2 6 B6R1.2 ClC1=NC=CS1 BB52-6859 [0,1,0,0,0,0|1,0,1]=3 7 B6R1.2 FC1=NNC=C1 BB31-2835 [0,1,0,0,0,0|1,0,0]=2 8 B6R1.2 IC1=NC=CS1 BB31-4591 [0,1,0,0,0,0|1,0,1]=3 9 B6R1.2 NC1=CC=NS1 BB31-5278 [0,1,0,0,0,0|1,0,1]=3 10 B6R1.2 NC1=CN=CS1 BB31-3634 [0,1,0,0,0,0|1,0,1]=3 11 B6R1.2 NC1=CNN=N1 BB58-0527 [0,1,0,0,0,0|2,0,0]=3 12 B6R1.2 NC1=CON=C1 BB31-8719 [0,1,0,0,0,0|1,0,1]=3 13 B6R1.2 NC1=NON=C1 BB31-7287 [0,1,0,0,0,0|2,0,1]=4 14 B6R1.2 O=C1C=CCS1 BB32-1702 [0,1,0,0,0,0|1,0,1]=3 15 B6R1.2 O=C1C=CON1 BB32-3109 [0,1,0,0,0,0|1,0,0]=2 16 B4R0.2 C=CCCI BB31-6880 [0,0,1,0,0,0|1,0,2]=4 17 B6R1.1 C1=NCCCN1 BB31-3113 [0,0,0,0,0,1|0,0,3]=4 18 B5R0.1 O=C(O)\C=C\Br BB31-5400 [0,1,1,0,0,0|2,0,0]=4 19 B5R0.2 C=CCCCN BB31-4446 [0,1,1,0,0,0|0,0,2]=4 20 B7R1.3 BrC1=CN=NC=C1 BB31-2308 [0,1,0,0,0,1|0,0,1]=3 21 B7R1.3 BrC1=CN=NN=C1 BB31-0386 [0,1,0,0,0,1|1,0,1]=4 22 B7R1.3 CC1=CCNCC1 BB31-4858 [0,1,0,0,0,1|0,0,2]=4 23 B7R1.3 CN1CC=CCC1 BB31-7198 [0,1,0,0,0,1|0,0,2]=4 24 B7R1.3 ClC1=CN=NC=C1 BB31-0804 [0,1,0,0,0,1|0,0,1]=3 25 B7R1.3 ClC1=NC=CN=C1 BB10-5341 [0,1,0,0,0,1|0,0,1]=3 26 B7R1.3 NC1=NC=NC=N1 BB52-6939 [0,1,0,0,0,1|1,0,1]=4 27 B7R1.3 NC1=NNC=NN1 BB52-7434 [0,1,0,0,0,1|2,0,0]=4 28 B7R1.3 O=C1C=CCCN1 BB32-3139 [0,1,0,0,0,1|0,0,1]=3 29 B7R1.3 O=C1C=COC=C1 BB31-5938 [0,1,0,0,0,1|1,0,0]=3 30 B7R1.3 SC1=NC=CN=C1 BB31-5693 [0,1,0,0,0,1|0,0,1]=3 31 B7R1.3 SC1=NNC=NN1 BB52-7890 [0,1,0,0,0,1|2,0,0]=4 32 B7R1.1 BrCC1=NC=CS1 BB17-3001 [0,2,0,0,0,0|1,0,1]=4 33 B7R1.1 C#CC1=CNN=C1 BB31-5183 [0,2,0,0,0,0|1,0,0]=3 34 B7R1.1 CCC1=CN=CN1 BB31-2770 [0,2,0,0,0,0|1,0,0]=3 35 B7R1.1 COC1=CNN=C1 BB31-2855 [0,2,0,0,0,0|1,0,0]=3 36 B7R1.1 ClCC1=CC=NO1 BB54-1978 [0,2,0,0,0,0|1,0,1]=4 37 B7R1.1 ClCC1=CN=CS1 BB31-9749 [0,2,0,0,0,0|1,0,1]=4 38 B7R1.1 ClCC1=CSC=N1 BB52-8495 [0,2,0,0,0,0|1,0,1]=4 39 B7R1.1 ClCC1=NC=NN1 BB58-3447 [0,2,0,0,0,0|2,0,0]=4 40 B7R1.1 ClCN1C=CC=N1 BB32-3719 [0,2,0,0,0,0|1,0,0]=3 41 B7R1.1 NCC1=CC=NO1 BB31-7725 [0,2,0,0,0,0|1,0,1]=4 42 B7R1.1 NCC1=CNN=C1 BB31-0537 [0,2,0,0,0,0|1,0,0]=3 43 B7R1.1 NCC1=CSC=N1 BB31-0500 [0,2,0,0,0,0|1,0,1]=4 44 B7R1.1 NCC1=NC=CN1 BB31-5150 [0,2,0,0,0,0|1,0,0]=3 45 B7R1.1 NCC1=NC=CO1 BB31-4984 [0,2,0,0,0,0|1,0,1]=4 46 B7R1.1 NNC1=NC=CS1 BB52-5374 [0,2,0,0,0,0|1,0,1]=4 47 B7R1.1 O=CC1=CN=CO1 BB31-8199 [0,2,0,0,0,0|1,0,1]=4 48 B7R1.1 O=CC1=NC=CO1 BB31-4873 [0,2,0,0,0,0|1,0,1]=4 49 B7R1.1 OCC1=CC=NO1 BB31-7380 [0,2,0,0,0,0|1,0,1]=4 50 B7R1.1 OCC1=NC=CO1 BB31-1661 [0,2,0,0,0,0|1,0,1]=4 51 B7R1.1 OCC1=NC=NN1 BB58-3446 [0,2,0,0,0,0|2,0,0]=4 52 B7R1.2 BrC1=CC=C(Br)[Se]1 BB31-3455 [0,2,0,0,0,0|1,0,0]=3 53 B7R1.2 BrC1=CN=C(Br)N1 BB31-5045 [0,2,0,0,0,0|1,0,0]=3 54 B7R1.2 CC1=CN=C(Cl)N1 BB52-6879 [0,2,0,0,0,0|1,0,0]=3 55 B7R1.2 CC1=COC(=S)N1 BB31-1630 [0,2,0,0,0,0|1,0,0]=3 56 B7R1.2 CC1=CSC(Br)=C1 BB32-2597 [0,2,0,0,0,0|1,0,0]=3 57 B7R1.2 CC1=CSC(Br)=N1 BB52-6860 [0,2,0,0,0,0|1,0,1]=4 58 B7R1.2 CC1=CSC(Cl)=N1 BB52-6861 [0,2,0,0,0,0|1,0,1]=4 59 B7R1.2 CC1=NC(=S)NN1 BB31-6949 [0,2,0,0,0,0|2,0,0]=4 60 B7R1.2 CC1=NC(Br)=CN1 BB52-6869 [0,2,0,0,0,0|1,0,0]=3 61 B7R1.2 CC1=NC=C(N)S1 BB31-6356 [0,2,0,0,0,0|1,0,1]=4 62 B7R1.2 CC1=NNC(S)=C1 BB52-7305 [0,2,0,0,0,0|1,0,0]=3 63 B7R1.2 CN1C=CC(Cl)=N1 BB32-3167 [0,2,0,0,0,0|1,0,0]=3 64 B7R1.2 CN1C=CC(N)=C1 BB31-0815 [0,2,0,0,0,0|0,0,0]=2 65 B7R1.2 ClC1=CC(Br)=CS1 BB31-4920 [0,2,0,0,0,0|1,0,0]=3 66 B7R1.2 ClC1=NC=C(Br)S1 BB31-4590 [0,2,0,0,0,0|1,0,1]=4 67 B7R1.2 N=C1NC=C(Cl)S1 BB32-1401 [0,2,0,0,0,0|1,0,0]=3 68 B7R1.2 NC1=CC(=O)CC1 BB31-4485 [0,2,0,0,0,0|1,0,1]=4 69 B7R1.2 NC1=CC(N)=NN1 BB31-3266 [0,2,0,0,0,0|1,0,0]=3 70 B7R1.2 NC1=CC(N)=NO1 BB52-2394 [0,2,0,0,0,0|1,0,1]=4 71 B7R1.2 NC1=NC(=O)NN1 BB31-0067 [0,2,0,0,0,0|2,0,0]=4 72 B7R1.2 NC1=NC(Cl)=CS1 BB31-5922 [0,2,0,0,0,0|1,0,1]=4 73 B7R1.2 NC1=NNC(F)=C1 BB31-0690 [0,2,0,0,0,0|1,0,0]=3 74 B7R1.2 O=C1C=CC(O)O1 BB31-2490 [0,2,0,0,0,0|1,0,1]=4 75 B7R1.2 O=C1CNC(=O)C1 BB58-3126 [0,2,0,0,0,0|0,0,2]=4 76 B7R1.2 O=C1CSC(=S)N1 BB52-8577 [0,2,0,0,0,0|1,0,1]=4 77 B7R1.4 BrC1=C(I)SC=C1 BB32-3301 [0,2,0,0,0,0|1,0,0]=3 78 B7R1.4 BrC1=CNN=C1Br BB32-3489 [0,2,0,0,0,0|1,0,0]=3 79 B7R1.4 BrC1=NNC=C1I BB32-1740 [0,2,0,0,0,0|1,0,0]=3 80 B7R1.4 CC1=C(Br)C=NO1 BB32-3633 [0,2,0,0,0,0|1,0,1]=4 81 B7R1.4 CC1=C(Br)NN=N1 BB31-4724 [0,2,0,0,0,0|2,0,0]=4 82 B7R1.4 CC1=C(C)OC=N1 BB31-4084 [0,2,0,0,0,0|1,0,1]=4 83 B7R1.4 CC1=C(I)C=NO1 BB31-6971 [0,2,0,0,0,0|1,0,1]=4 84 B7R1.4 CC1=C(N)SC=N1 BB32-3887 [0,2,0,0,0,0|1,0,1]=4 85 B7R1.4 CC1=NNC=C1N BB31-0891 [0,2,0,0,0,0|1,0,0]=3 86 B7R1.4 CC1=NOC=C1N BB32-1826 [0,2,0,0,0,0|1,0,1]=4 87 B7R1.4 CN1C=CN=C1N BB31-5124 [0,2,0,0,0,0|1,0,0]=3 88 B7R1.4 CN1C=CNC1=O BB31-4937 [0,2,0,0,0,0|1,0,0]=3 89 B7R1.4 CN1C=NC=C1N BB32-3736 [0,2,0,0,0,0|1,0,0]=3 90 B7R1.4 CN1C=NN=C1N BB31-2580 [0,2,0,0,0,0|2,0,0]=4 91 B7R1.4 CN1N=CN=C1N BB31-3026 [0,2,0,0,0,0|2,0,0]=4 92 B7R1.4 CN1N=NC=C1I BB31-1346 [0,2,0,0,0,0|2,0,0]=4 93 B7R1.4 NC1=C(N)NN=C1 BB05-4816 [0,2,0,0,0,0|1,0,0]=3 94 B7R1.4 NC1=CNN=C1Br BB31-9973 [0,2,0,0,0,0|1,0,0]=3 95 B7R1.4 NC1=CNN=C1N BB54-5154 [0,2,0,0,0,0|1,0,0]=3