0 B6R1.2 CC1=NNCC1 ALBB-017919 [0,0,0,0,0,0|3,0,1]=4 1 B6R1.2 NC1=NCCS1 ALBB-030173 [0,0,0,0,0,0|3,0,1]=4 2 B6R1.2 NC1=NCCS1 ALBB-030173 [0,0,0,0,0,0|3,0,1]=4 3 B6R1.2 NC1CCNC1 ALBB-005927 [0,0,0,0,0,0|2,0,0]=2 4 B6R1.2 NC1CCNC1 ALBB-005927 [0,0,0,0,0,0|2,0,0]=2 5 B6R1.2 NN1CCCC1 ALBB-032445 [0,0,0,0,0,0|2,0,0]=2 6 B6R1.2 OC1=NNCC1 ALBB-004842 [0,0,0,0,0,0|2,1,1]=4 7 B6R1.2 O[C@@H]1CCNC1 ALBB-014822 [0,0,0,0,0,0|1,1,0]=2 8 B7R1.1 CNC1CCCC1 ALBB-013221 [0,1,0,0,0,0|1,0,0]=2 9 B7R1.1 CNC1CCCC1 ALBB-013221 [0,1,0,0,0,0|1,0,0]=2 10 B7R1.1 COC1=NCCC1 ALBB-021703 [0,1,0,0,0,0|1,1,1]=4 11 B7R1.1 CSC1=NCCN1 ALBB-023494 [0,1,0,0,0,0|2,0,1]=4 12 B5R0.1 CC(C)CNN ALBB-029756 [0,0,1,0,0,0|3,0,0]=4 13 B5R0.1 CCCC(=N)N ALBB-033963 [0,0,1,0,0,0|2,0,1]=4 14 B5R0.1 CCOC(C)=N ALBB-014832 [0,0,1,0,0,0|2,0,1]=4 15 B5R0.1 CNCC(C)=O ALBB-016173 [0,0,1,0,0,0|1,1,1]=4 16 B5R0.1 CNCC(C)O ALBB-012392 [0,0,1,0,0,0|1,1,0]=3 17 B5R0.2 CCCN=C=O ALBB-007538 [0,0,1,0,0,0|1,1,1]=4 18 B5R0.2 CCOCCN ALBB-024937 [0,0,1,0,0,0|2,0,0]=3 19 B5R0.2 CCSCCN ALBB-011952 [0,0,1,0,0,0|2,0,0]=3 20 B5R0.2 CNCCOC ALBB-022357 [0,0,1,0,0,0|3,0,0]=4 21 B5R0.2 COCCCBr ALBB-030141 [0,0,1,0,0,0|2,0,0]=3 22 B5R0.3 CCC(=N)OC ALBB-033213 [0,0,1,0,0,0|2,0,1]=4 23 B5R0.3 CCC(C)NC ALBB-013207 [0,0,1,0,0,0|2,0,0]=3 24 B5R0.3 CCC(O)C#N ALBB-027948 [0,0,1,0,0,0|1,1,1]=4 25 B5R0.3 CCC(O)CN ALBB-026517 [0,0,1,0,0,0|1,1,0]=3 26 B5R0.3 OC(CCl)CBr ALBB-032330 [0,0,1,0,0,0|2,1,0]=4 27 B7R1.3 O=C1CCOCC1 ALBB-008898 [0,0,0,0,0,1|0,1,1]=3 28 B7R1.3 O=C1CCSCC1 ALBB-006274 [0,0,0,0,0,1|0,1,1]=3 29 B7R1.3 O=C1CNCCN1 ALBB-012180 [0,0,0,0,0,1|1,1,1]=4 30 B7R1.3 O=C1CNCCN1 ALBB-012180 [0,0,0,0,0,1|1,1,1]=4 31 B7R1.3 OC1CCSCC1 ALBB-011931 [0,0,0,0,0,1|0,1,0]=2 32 B4R0.2 CNCCI ALBB-023404 [1,0,1,0,0,0|2,0,0]=4 33 B4R0.2 CNCCO ALBB-012133 [1,0,1,0,0,0|1,1,0]=4 34 B4R0.2 COCCBr ALBB-030140 [1,0,1,0,0,0|2,0,0]=4 35 B4R0.2 CSCCCl ALBB-014067 [1,0,1,0,0,0|2,0,0]=4 36 B4R0.2 CSCCN ALBB-013381 [1,0,1,0,0,0|2,0,0]=4 37 B6R0.1 CCC(O)COC ALBB-025835 [0,1,1,0,0,0|1,1,0]=4 38 B6R0.1 CCCC(O)C#N ALBB-027950 [0,1,1,0,0,0|0,1,1]=4 39 B6R0.4 CC(C)CCNN ALBB-033413 [0,1,1,0,0,0|2,0,0]=4 40 B6R0.4 CC(C)NCCN ALBB-006267 [0,1,1,0,0,0|2,0,0]=4 41 B6R0.4 CC(C)SCCCl ALBB-013218 [0,1,1,0,0,0|2,0,0]=4 42 B6R0.4 CC(C)SCCO ALBB-013392 [0,1,1,0,0,0|2,0,0]=4 43 B6R0.4 COCCN(C)C ALBB-034857 [0,1,1,0,0,0|2,0,0]=4 44 B6R0.6 CCCCCNC ALBB-022351 [0,1,1,0,0,0|1,0,0]=3 45 B6R0.6 CCCCCNN ALBB-003897 [0,1,1,0,0,0|1,0,0]=3 46 B6R0.6 FCCCCCBr ALBB-022599 [0,1,1,0,0,0|1,0,0]=3 47 B6R0.6 NCCOCCN ALBB-031689 [0,1,1,0,0,0|2,0,0]=4 48 B6R1.6 NCC1CCC1 ALBB-017755 [0,1,0,0,1,0|1,0,0]=3 49 B8R1.2 COC1CCNCC1 ALBB-004178 [0,1,0,0,0,1|0,1,0]=3 50 B8R1.2 COC1CCNCC1 ALBB-004178 [0,1,0,0,0,1|0,1,0]=3 51 B8R1.2 CSC1=NCCCN1 ALBB-023680 [0,1,0,0,0,1|1,0,1]=4 52 B8R1.2 N#CC1CCCCC1 ALBB-031644 [0,1,0,0,0,1|1,0,0]=3 53 B8R1.2 N#CC1CCOCC1 ALBB-005332 [0,1,0,0,0,1|1,0,0]=3 54 B8R1.2 N#CN1CCOCC1 ALBB-010142 [0,1,0,0,0,1|2,0,0]=4 55 B8R1.2 NCC1CCOCC1 ALBB-005330 [0,1,0,0,0,1|1,0,0]=3 56 B8R1.2 NCC1CCOCC1 ALBB-005330 [0,1,0,0,0,1|1,0,0]=3 57 B8R1.2 OCC1CCNCC1 ALBB-030464 [0,1,0,0,0,1|0,1,0]=3 58 B8R1.2 ON=C1CCCCC1 ALBB-017760 [0,1,0,0,0,1|0,1,1]=4 59 B8R1.2 ON=C1CCOCC1 ALBB-005302 [0,1,0,0,0,1|0,1,1]=4 60 B8R1.3 CC1CCC(N)CC1 ALBB-001497 [0,1,0,0,0,1|1,0,0]=3 61 B8R1.3 CC1CCC(N)CC1 ALBB-001497 [0,1,0,0,0,1|1,0,0]=3 62 B8R1.3 CN1CCC(N)CC1 ALBB-000072 [0,1,0,0,0,1|1,0,0]=3 63 B8R1.5 CC1CNCCC1=O ALBB-030108 [0,1,0,0,0,1|0,1,1]=4 64 B8R1.5 NC1CCCNC1=O ALBB-003929 [0,1,0,0,0,1|0,1,1]=4 65 B8R1.5 NC1CCCNC1=O ALBB-003929 [0,1,0,0,0,1|0,1,1]=4 66 B8R1.1 CNC1CCN(C)C1 ALBB-022352 [0,2,0,0,0,0|2,0,0]=4 67 B8R1.7 CC(N)C1CCCO1 ALBB-001479 [0,2,0,0,0,0|2,0,0]=4 68 B8R1.7 N=C(N)N1CCCC1 ALBB-031282 [0,2,0,0,0,0|2,0,0]=4 69 B8R1.7 NC(=O)[C@@H]1CCCN1 ALBB-014823 [0,2,0,0,0,0|1,1,0]=4 70 B8R1.7 NC(=S)N1CCCC1 ALBB-012934 [0,2,0,0,0,0|1,0,1]=4 71 B8R1.7 O=C(O)C1CCOC1 ALBB-028032 [0,2,0,0,0,0|1,1,0]=4 72 B8R1.8 CCCC1CCNC1 ALBB-013350 [0,2,0,0,0,0|2,0,0]=4 73 B8R1.8 ClCCN1CCCC1 ALBB-031096 [0,2,0,0,0,0|2,0,0]=4 74 B8R1.8 N#CCN1CCCC1 ALBB-004594 [0,2,0,0,0,0|2,0,0]=4 75 B8R1.8 NCCN1CCCC1 ALBB-006258 [0,2,0,0,0,0|2,0,0]=4 76 B8R1.8 NCCN1CCCC1 ALBB-006258 [0,2,0,0,0,0|2,0,0]=4 77 B8R1.8 O=C=NC1CCCC1 ALBB-000318 [0,2,0,0,0,0|0,1,0]=3 78 B8R1.11 CCC1CCCC1=O ALBB-014713 [0,2,0,0,0,0|0,1,1]=4 79 B8R1.52 NCC1(O)CCCC1 ALBB-032352 [0,2,0,0,0,0|0,1,0]=3 80 B8R1.19 CC1CCNC1(C)C ALBB-026384 [0,2,0,0,0,0|2,0,0]=4 81 B8R1.22 CN1CCCNCC1 ALBB-022359 [0,0,0,0,0,2|2,0,0]=4 82 B8R1.22 O=C1CCOCCN1 ALBB-033952 [0,0,0,0,0,2|0,1,1]=4