0 B6R0.6 CCCSCCN ALBB-013368 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.2 CCC#CCO ALBB-031790 [1,0,0,0,0,0|1,0,1]=3 2 B5R0.2 N#CCCCN ALBB-027963 [1,0,0,0,0,0|2,0,1]=4 3 B5R0.2 N#CCCCO ALBB-032447 [1,0,0,0,0,0|1,0,1]=3 4 B5R0.2 NNCCCO ALBB-027247 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.1 C=CCCNCCO ALBB-033585 [0,1,0,0,0,0|1,0,0]=2 6 B7R0.3 CCCOC(C)CN ALBB-012971 [0,1,0,0,0,0|3,0,0]=4 7 B7R0.3 CCN(C)CCCO ALBB-004106 [0,1,0,0,0,0|3,0,0]=4 8 B7R0.4 CC(C)NCCCO ALBB-012227 [0,1,0,0,0,0|3,0,0]=4 9 B7R0.4 CC(O)CNCCO ALBB-018623 [0,1,0,0,0,0|0,0,0]=1 10 B7R0.4 CCCNCC(=O)O ALBB-034573 [0,1,0,0,0,0|1,0,1]=3 11 B7R0.7 CCNC(C)CCO ALBB-004115 [0,1,0,0,0,0|3,0,0]=4 12 B7R0.7 CN(CCN)CCO ALBB-028781 [0,1,0,0,0,0|1,0,0]=2 13 B7R1.1 CCC1CCCN1 ALBB-014922 [0,0,0,1,0,0|2,0,0]=3 14 B7R1.1 CCC1CCCN1 ALBB-014922 [0,0,0,1,0,0|2,0,0]=3 15 B7R1.1 OCC1CCCN1 ALBB-021094 [0,0,0,1,0,0|1,0,0]=2 16 B7R1.1 OCC1CCNC1 ALBB-005836 [0,0,0,1,0,0|3,0,0]=4 17 B7R1.3 BrC1CCCOC1 ALBB-005315 [0,0,0,1,0,0|3,0,0]=4 18 B7R1.3 CC1CNCCO1 ALBB-018624 [0,0,0,1,0,0|1,0,0]=2 19 B7R1.3 NC1CCCOC1 ALBB-005268 [0,0,0,1,0,0|3,0,0]=4 20 B7R1.3 OC1CCOCC1 ALBB-016822 [0,0,0,1,0,0|3,0,0]=4 21 B7R1.24 C1CNCCOC1 ALBB-008642 [0,0,0,1,0,0|1,0,0]=2 22 B4R0.2 CCCNN ALBB-029755 [2,0,0,0,0,0|2,0,0]=4 23 B4R0.2 CNCCCl ALBB-023508 [2,0,0,0,0,0|1,0,0]=3 24 B6R0.1 CCCC(O)CN ALBB-031019 [1,1,0,0,0,0|2,0,0]=4 25 B6R0.1 CCNC(C)CO ALBB-004074 [1,1,0,0,0,0|0,0,0]=2 26 B6R0.1 CCOC(C)CN ALBB-019159 [1,1,0,0,0,0|2,0,0]=4 27 B6R0.1 CCOC(C)CN ALBB-019159 [1,1,0,0,0,0|2,0,0]=4 28 B6R0.1 CNC(C)CCO ALBB-004088 [1,1,0,0,0,0|2,0,0]=4 29 B6R0.1 CNCC(C)CO ALBB-033765 [1,1,0,0,0,0|2,0,0]=4 30 B6R0.1 COC(=O)CCO ALBB-013447 [1,1,0,0,0,0|2,0,0]=4 31 B6R0.4 CC(C)SCCN ALBB-011948 [1,1,0,0,0,0|2,0,0]=4 32 B6R0.4 CCNCC(C)O ALBB-017752 [1,1,0,0,0,0|0,0,0]=2 33 B6R0.4 COCCC(C)O ALBB-036368 [1,1,0,0,0,0|2,0,0]=4 34 B8R0.4 C=CCCNCCC=C ALBB-032055 [0,2,0,0,0,0|2,0,0]=4 35 B8R0.4 C=CCCNCCCO ALBB-033609 [0,2,0,0,0,0|1,0,0]=3 36 B8R0.4 C=CCCNCCOC ALBB-027310 [0,2,0,0,0,0|1,0,0]=3 37 B8R0.7 C=CCCNCC(=O)O ALBB-033604 [0,2,0,0,0,0|1,0,1]=4 38 B8R0.7 C=CCCNCC(C)C ALBB-033608 [0,2,0,0,0,0|2,0,0]=4 39 B8R0.5 CN(CCO)CC(=O)O ALBB-016151 [0,2,0,0,0,0|0,0,1]=3 40 B8R0.21 CCCNCC(C)(C)O ALBB-029023 [0,2,0,0,0,0|1,0,0]=3 41 B6R1.1 C1CCONC1 ALBB-010164 [1,0,0,1,0,0|1,0,0]=3 42 B6R1.2 NC1CCOC1 ALBB-010786 [1,0,0,1,0,0|2,0,0]=4 43 B6R1.2 NC1CCOC1 ALBB-010786 [1,0,0,1,0,0|2,0,0]=4 44 B6R1.2 OC1CNOC1 ALBB-016824 [1,0,0,1,0,0|1,0,0]=3 45 B6R1.3 CCNC1CC1 ALBB-005301 [1,0,0,1,0,0|1,0,0]=3 46 B8R1.2 BrCC1CCCNC1 ALBB-005308 [0,1,0,1,0,0|2,0,0]=4 47 B8R1.2 CCC1CNCCO1 ALBB-011803 [0,1,0,1,0,0|1,0,0]=3 48 B8R1.2 COC1CCCNC1 ALBB-004177 [0,1,0,1,0,0|1,0,0]=3 49 B8R1.2 COC1CCCNC1 ALBB-004177 [0,1,0,1,0,0|1,0,0]=3 50 B8R1.2 ClCC1COCCO1 ALBB-005877 [0,1,0,1,0,0|2,0,0]=4 51 B8R1.2 NCC1CCCCO1 ALBB-024717 [0,1,0,1,0,0|2,0,0]=4 52 B8R1.2 NCC1CCCOC1 ALBB-012430 [0,1,0,1,0,0|2,0,0]=4 53 B8R1.2 NCC1CCCOC1 ALBB-012430 [0,1,0,1,0,0|2,0,0]=4 54 B8R1.2 NCC1CNCCO1 ALBB-027338 [0,1,0,1,0,0|1,0,0]=3 55 B8R1.2 NCC1COCCO1 ALBB-000042 [0,1,0,1,0,0|2,0,0]=4 56 B8R1.2 OCC1CCCOC1 ALBB-005328 [0,1,0,1,0,0|1,0,0]=3 57 B8R1.2 OCC1COCCO1 ALBB-021709 [0,1,0,1,0,0|1,0,0]=3 58 B8R1.5 CC1CCCNC1C ALBB-026115 [0,1,0,1,0,0|2,0,0]=4 59 B8R1.5 CC1CCCNC1C ALBB-026115 [0,1,0,1,0,0|2,0,0]=4 60 B8R1.5 C[C@H]1CNCC[C@@H]1O ALBB-030117 [0,1,0,1,0,0|1,0,0]=3 61 B8R1.5 O[C@H]1CNCC[C@H]1O ALBB-030034 [0,1,0,1,0,0|0,0,0]=2 62 B8R1.8 OCCN1CCC=N1 ALBB-014269 [0,1,0,1,0,0|1,0,0]=3 63 B8R1.11 CN1CCCC1CBr ALBB-016553 [0,1,0,1,0,0|2,0,0]=4 64 B8R1.11 CN1CCCC1CCl ALBB-029048 [0,1,0,1,0,0|2,0,0]=4 65 B8R1.11 CN1CCCC1CO ALBB-016476 [0,1,0,1,0,0|1,0,0]=3 66 B8R1.11 CO[C@@H]1COC[C@H]1N ALBB-029787 [0,1,0,1,0,0|2,0,0]=4 67 B8R1.22 CC1CCCCCN1 ALBB-016557 [0,1,0,1,0,0|2,0,0]=4 68 B8R1.22 CC1CCCNCC1 ALBB-013456 [0,1,0,1,0,0|2,0,0]=4 69 B8R1.22 CC1CNCCCO1 ALBB-026617 [0,1,0,1,0,0|1,0,0]=3 70 B8R1.52 CC1(CN)OCCO1 ALBB-031805 [0,1,0,1,0,0|2,0,0]=4 71 B8R1.4 CN1CCCC(N)C1 ALBB-005321 [0,1,0,1,0,0|2,0,0]=4 72 B8R1.4 CN1CCCC(N)C1 ALBB-005321 [0,1,0,1,0,0|2,0,0]=4 73 B8R1.27 OCCC1CC1(F)F ALBB-028869 [0,1,0,1,0,0|2,0,0]=4 74 B8R1.72 CC1(C)CCCNC1 ALBB-005215 [0,1,0,1,0,0|2,0,0]=4 75 B8R1.72 CC1(C)CCCNC1 ALBB-005215 [0,1,0,1,0,0|2,0,0]=4 76 B8R1.72 CC1(C)CNCCO1 ALBB-011804 [0,1,0,1,0,0|1,0,0]=3