0 B8R1.8 BrCCN1C=NC=N1 ALBB-018710 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.8 C=CCN1C=NC=N1 ALBB-030738 [0,0,0,0,0,0|2,0,2]=4 2 B8R1.8 CCCN1C=CN=C1 ALBB-014333 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.8 CNCC1=CC=CS1 ALBB-004685 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.8 CNCC1=CC=CS1 ALBB-004685 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.8 CNCC1=CSC=C1 ALBB-015183 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.8 CNCC1=NC=CN1 ALBB-015238 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.8 ClCCN1C=CN=C1 ALBB-031897 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.8 N#CCN1C=CN=C1 ALBB-004606 [0,0,0,0,0,0|2,0,2]=4 9 B8R1.8 NCCC1=CC=CO1 ALBB-005426 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.8 NCCC1=CC=CO1 ALBB-005426 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.8 NCCC1=CNC=N1 ALBB-005968 [0,0,0,0,0,0|0,0,2]=2 12 B8R1.8 NCCC1=CNC=N1 ALBB-005968 [0,0,0,0,0,0|0,0,2]=2 13 B8R1.8 NCCC1=CNN=C1 ALBB-011869 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.8 NCCC1=CNN=C1 ALBB-011869 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.8 NCCN1C=CC=C1 ALBB-021662 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.8 NCCN1C=CN=C1 ALBB-012920 [0,0,0,0,0,0|2,0,0]=2 17 B8R1.8 NCCN1C=CN=C1 ALBB-012920 [0,0,0,0,0,0|2,0,0]=2 18 B8R1.8 OCCC1=CNN=C1 ALBB-003724 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.8 OCCN1C=CC=N1 ALBB-016308 [0,0,0,0,0,0|3,0,1]=4 20 B8R1.8 O\N=C\C1=CC=CN1 ALBB-032964 [0,0,0,0,0,0|3,0,1]=4 21 B7R1.1 CCN1C=CC=N1 ALBB-004429 [1,0,0,0,0,0|2,0,1]=4 22 B7R1.1 ClCC1=CSC=N1 ALBB-003859 [1,0,0,0,0,0|2,0,1]=4 23 B7R1.1 ClCC1=CSC=N1 ALBB-003859 [1,0,0,0,0,0|2,0,1]=4 24 B7R1.1 NCC1=CN=CS1 ALBB-004674 [1,0,0,0,0,0|1,0,0]=2 25 B7R1.1 NCC1=CN=CS1 ALBB-004674 [1,0,0,0,0,0|1,0,0]=2 26 B7R1.1 NCC1=CSC=C1 ALBB-015182 [1,0,0,0,0,0|2,0,0]=3 27 B7R1.1 NCC1=CSC=C1 ALBB-015182 [1,0,0,0,0,0|2,0,0]=3 28 B7R1.1 NCC1=NC=CS1 ALBB-004671 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.7 CC1=CSC(CCN)=N1 ALBB-031513 [0,1,0,0,0,0|2,0,1]=4 30 B9R1.7 CCCC1=NC(N)=NO1 ALBB-014787 [0,1,0,0,0,0|2,0,1]=4 31 B9R1.7 CCCC1=NN=C(Br)S1 ALBB-027347 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.7 CCCC1=NN=C(Cl)S1 ALBB-027344 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.7 CCCC1=NN=C(N)S1 ALBB-009388 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.11 CC(CO)N1C=CN=C1 ALBB-022253 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.11 CC(CO)N1C=NC=N1 ALBB-012291 [0,1,0,0,0,0|2,0,1]=4 36 B9R1.11 CCC(N)C1=CC=CS1 ALBB-006076 [0,1,0,0,0,0|3,0,0]=4 37 B9R1.11 NNC(=O)C1=CC=CN1 ALBB-032631 [0,1,0,0,0,0|2,0,1]=4 38 B9R1.12 CCCCN1C=CN=C1 ALBB-014322 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.12 CCNCC1=CC=CO1 ALBB-004757 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.12 CCNCC1=CC=CO1 ALBB-004757 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.12 COCCN1C=CN=C1 ALBB-032086 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.12 OCCCN1C=CN=C1 ALBB-027288 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.13 CC(N)CC1=CC=CO1 ALBB-005427 [0,1,0,0,0,0|2,0,0]=3 44 B9R1.13 CC(N)CC1=CC=CO1 ALBB-005427 [0,1,0,0,0,0|2,0,0]=3 45 B9R1.13 CC(N)CC1=CC=CO1 ALBB-005427 [0,1,0,0,0,0|2,0,0]=3 46 B9R1.13 NC(=O)CN1C=CN=C1 ALBB-012442 [0,1,0,0,0,0|2,0,1]=4 47 B9R1.13 NC(=S)CC1=CC=CS1 ALBB-024308 [0,1,0,0,0,0|2,0,1]=4 48 B9R1.33 CN1C=NN=C1CCN ALBB-003931 [0,1,0,0,0,0|1,0,0]=2 49 B9R1.33 CNCC1=CC=CN1C ALBB-015094 [0,1,0,0,0,0|3,0,0]=4 50 B9R2.3 C1=CN2CCC[N+]2=C1 ALBB-018189 [0,0,0,1,0,0|3,0,0]=4 51 B9R1.8 BrCCC1=NC=CC=C1 ALBB-016283 [0,0,0,0,0,1|2,0,1]=4 52 B9R1.8 N#CCC1=CC=CN=C1 ALBB-009272 [0,0,0,0,0,1|1,0,2]=4 53 B9R1.8 NCCC1=CC=CN=C1 ALBB-006042 [0,0,0,0,0,1|1,0,0]=2 54 B9R1.8 NCCC1=CC=NC=C1 ALBB-000247 [0,0,0,0,0,1|1,0,0]=2 55 B9R1.8 NCCC1=CC=NC=C1 ALBB-000247 [0,0,0,0,0,1|1,0,0]=2 56 B9R1.8 NCCC1=NC=CC=C1 ALBB-006016 [0,0,0,0,0,1|1,0,1]=3 57 B9R1.8 NNCC1=CC=CC=C1 ALBB-029808 [0,0,0,0,0,1|3,0,0]=4 58 B9R1.8 OCCC1=NC=CC=C1 ALBB-020942 [0,0,0,0,0,1|2,0,1]=4 59 B9R1.8 OCCC1=NC=CN=C1 ALBB-026379 [0,0,0,0,0,1|1,0,1]=3 60 B6R0.1 CNC(=O)CCN ALBB-017783 [1,0,1,0,0,0|1,0,1]=4 61 B6R0.1 N\C(CCO)=N/O ALBB-014806 [1,0,1,0,0,0|2,0,0]=4 62 B6R1.2 CC1=CC=NN1 ALBB-006081 [2,0,0,0,0,0|2,0,0]=4 63 B6R1.2 CC1=CNN=C1 ALBB-016317 [2,0,0,0,0,0|2,0,0]=4 64 B6R1.2 CN1C=NC=N1 ALBB-012823 [2,0,0,0,0,0|1,0,1]=4 65 B6R1.2 NC1=CNN=C1 ALBB-021647 [2,0,0,0,0,0|2,0,0]=4 66 B6R1.2 NC1=NC=CN1 ALBB-027298 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.1 CC1=CC=C(CN)O1 ALBB-005350 [1,1,0,0,0,0|2,0,0]=4 68 B8R1.1 CC1=NC(CN)=CS1 ALBB-004673 [1,1,0,0,0,0|1,0,1]=4 69 B8R1.1 CC1=NC(CN)=CS1 ALBB-004673 [1,1,0,0,0,0|1,0,1]=4 70 B8R1.1 CC1=NC(CN)=CS1 ALBB-004673 [1,1,0,0,0,0|1,0,1]=4 71 B8R1.1 CCC1=NC(Cl)=NN1 ALBB-014166 [1,1,0,0,0,0|1,0,1]=4 72 B8R1.1 CCC1=NC(N)=NN1 ALBB-010741 [1,1,0,0,0,0|1,0,1]=4 73 B8R1.1 CCC1=NC(N)=NN1 ALBB-010741 [1,1,0,0,0,0|1,0,1]=4 74 B8R1.1 CCC1=NC(S)=NN1 ALBB-012339 [1,1,0,0,0,0|1,0,1]=4 75 B8R1.7 CC(C)C1=CC=NN1 ALBB-014835 [1,1,0,0,0,0|2,0,0]=4 76 B8R1.7 CC(N)C1=CC=CO1 ALBB-005423 [1,1,0,0,0,0|2,0,0]=4 77 B8R1.7 CC(N)C1=CC=CS1 ALBB-000031 [1,1,0,0,0,0|2,0,0]=4 78 B8R1.7 CC(N)C1=CC=CS1 ALBB-000031 [1,1,0,0,0,0|2,0,0]=4 79 B8R1.7 CC(N)C1=CSC=C1 ALBB-021779 [1,1,0,0,0,0|2,0,0]=4 80 B8R1.11 CC1=C(C=O)NC=N1 ALBB-017806 [1,1,0,0,0,0|1,0,1]=4 81 B8R1.11 CC1=C(CN)SC=C1 ALBB-016474 [1,1,0,0,0,0|2,0,0]=4 82 B8R1.11 NNC1=NN=CN1N ALBB-020805 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.17 CNCCC1=CC=NC=C1 ALBB-006043 [0,1,0,0,0,1|1,0,0]=3 84 B10R1.17 CNCCC1=CC=NC=C1 ALBB-006043 [0,1,0,0,0,1|1,0,0]=3 85 B10R1.17 NCCOC1=CC=CC=C1 ALBB-027086 [0,1,0,0,0,1|2,0,0]=4 86 B10R1.17 NCCOC1=CC=CC=C1 ALBB-027086 [0,1,0,0,0,1|2,0,0]=4 87 B10R1.17 NCCSC1=CC=CC=C1 ALBB-005184 [0,1,0,0,0,1|2,0,0]=4 88 B10R1.17 NCCSC1=CC=CC=C1 ALBB-005184 [0,1,0,0,0,1|2,0,0]=4 89 B10R1.17 NCCSC1=NC=CC=C1 ALBB-011926 [0,1,0,0,0,1|1,0,1]=4 90 B10R1.17 NCCSC1=NC=CC=C1 ALBB-011926 [0,1,0,0,0,1|1,0,1]=4 91 B10R1.17 OCCCC1=CC=NC=C1 ALBB-025787 [0,1,0,0,0,1|2,0,0]=4 92 B10R1.18 CC(N)CC1=NC=CN=C1 ALBB-014356 [0,1,0,0,0,1|0,0,1]=3 93 B10R1.18 CC(O)CC1=NC=CN=C1 ALBB-011865 [0,1,0,0,0,1|1,0,1]=4 94 B10R1.96 CCC1=NOC(CCN)=N1 ALBB-033087 [0,2,0,0,0,0|1,0,1]=4 95 B10R1.21 CNCCCC1=CC=CO1 ALBB-033049 [0,2,0,0,0,0|2,0,0]=4 96 B10R1.21 CNCCCC1=CNN=C1 ALBB-011871 [0,2,0,0,0,0|2,0,0]=4 97 B10R1.187 CC1=NOC(C)=C1CCN ALBB-004640 [0,2,0,0,0,0|2,0,0]=4 98 B10R1.187 CC1=NOC(C)=C1CCN ALBB-004640 [0,2,0,0,0,0|2,0,0]=4 99 B10R2.2 NC1=NC2=C(CCC2)S1 ALBB-024938 [0,1,0,1,0,0|2,0,0]=4