0 B7R0.1 C=CCCNCCO ALBB-033585 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.6 CCCSCCN ALBB-013368 [1,0,0,0,0,0|2,0,0]=3 2 B6R0.6 CCOCCNC ALBB-019162 [1,0,0,0,0,0|2,0,0]=3 3 B6R0.6 CCSCCNC ALBB-013382 [1,0,0,0,0,0|2,0,0]=3 4 B8R0.4 C=CCCNCCCO ALBB-033609 [0,1,0,0,0,0|0,0,2]=3 5 B8R0.4 C=CCCNCCOC ALBB-027310 [0,1,0,0,0,0|1,0,2]=4 6 B8R0.7 C=CCCNCC(C)C ALBB-033608 [0,1,0,0,0,0|2,0,1]=4 7 B8R1.2 BrCC1CCCNC1 ALBB-005308 [0,0,0,1,0,0|2,0,0]=3 8 B8R1.2 CCC1CCNCC1 ALBB-016700 [0,0,0,1,0,0|2,0,0]=3 9 B8R1.2 CCC1CNCCO1 ALBB-011803 [0,0,0,1,0,0|1,0,0]=2 10 B8R1.2 CNC1CCOCC1 ALBB-000085 [0,0,0,1,0,0|3,0,0]=4 11 B8R1.2 CNC1CCSCC1 ALBB-012271 [0,0,0,1,0,0|3,0,0]=4 12 B8R1.2 COC1CCCNC1 ALBB-004177 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.2 COC1CCCNC1 ALBB-004177 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.2 ClCC1COCCO1 ALBB-005877 [0,0,0,1,0,0|2,0,0]=3 15 B8R1.2 NCC1=CCCCC1 ALBB-028823 [0,0,0,1,0,0|1,0,2]=4 16 B8R1.2 NCC1CCCCO1 ALBB-024717 [0,0,0,1,0,0|1,0,0]=2 17 B8R1.2 NCC1CCCOC1 ALBB-012430 [0,0,0,1,0,0|2,0,0]=3 18 B8R1.2 NCC1CCCOC1 ALBB-012430 [0,0,0,1,0,0|2,0,0]=3 19 B8R1.2 NCC1CNCCO1 ALBB-027338 [0,0,0,1,0,0|2,0,0]=3 20 B8R1.2 NCC1COCCO1 ALBB-000042 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.2 NNC1CCNCC1 ALBB-014983 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.2 OCC1CCCOC1 ALBB-005328 [0,0,0,1,0,0|1,0,0]=2 23 B8R1.2 OCC1COCCO1 ALBB-021709 [0,0,0,1,0,0|2,0,0]=3 24 B8R1.5 CC1CCCNC1C ALBB-026115 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.5 CC1CCCNC1C ALBB-026115 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.5 C[C@H]1CNCC[C@@H]1O ALBB-030117 [0,0,0,1,0,0|1,0,0]=2 27 B8R1.5 NC1CCCCC1=O ALBB-031058 [0,0,0,1,0,0|1,0,2]=4 28 B8R1.5 O[C@H]1CNCC[C@H]1O ALBB-030034 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.8 CNCC1CCCC1 ALBB-016143 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.8 NCCC1CCCC1 ALBB-013284 [0,0,0,1,0,0|1,0,0]=2 31 B8R1.8 OCCN1CCC=N1 ALBB-014269 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.11 CN1CCCC1CBr ALBB-016553 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.11 CN1CCCC1CCl ALBB-029048 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.11 CN1CCCC1CO ALBB-016476 [0,0,0,1,0,0|1,0,0]=2 35 B8R1.11 CO[C@@H]1COC[C@H]1N ALBB-029787 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.22 CC1CCCCCN1 ALBB-016557 [0,0,0,1,0,0|1,0,0]=2 37 B8R1.22 CC1CCCNCC1 ALBB-013456 [0,0,0,1,0,0|2,0,0]=3 38 B8R1.22 CC1CNCCCO1 ALBB-026617 [0,0,0,1,0,0|1,0,0]=2 39 B5R0.2 CCC#CCO ALBB-031790 [2,0,0,0,0,0|0,0,2]=4 40 B5R0.2 N#CCCCO ALBB-032447 [2,0,0,0,0,0|1,0,1]=4 41 B5R0.2 NNCCCO ALBB-027247 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.3 CCCOC(C)CN ALBB-012971 [1,1,0,0,0,0|2,0,0]=4 43 B7R0.3 CCN(C)CCCN ALBB-014682 [1,1,0,0,0,0|2,0,0]=4 44 B7R0.3 CCN(C)CCCO ALBB-004106 [1,1,0,0,0,0|1,0,0]=3 45 B7R0.4 CC(C)NCCCO ALBB-012227 [1,1,0,0,0,0|1,0,0]=3 46 B7R0.4 CC(C)SCCCN ALBB-021089 [1,1,0,0,0,0|2,0,0]=4 47 B7R0.4 CC(O)CNCCO ALBB-018623 [1,1,0,0,0,0|1,0,0]=3 48 B7R0.4 CCCNCC(=O)O ALBB-034573 [1,1,0,0,0,0|1,0,1]=4 49 B7R0.4 CCSCCC(=O)O ALBB-004315 [1,1,0,0,0,0|1,0,1]=4 50 B7R0.7 CCNC(C)CCO ALBB-004115 [1,1,0,0,0,0|1,0,0]=3 51 B7R0.7 CN(CCN)CCO ALBB-028781 [1,1,0,0,0,0|2,0,0]=4 52 B9R0.45 C#CCOCCOCCO ALBB-030677 [0,2,0,0,0,0|0,0,2]=4 53 B9R0.45 C=CCCNCCCCO ALBB-033583 [0,2,0,0,0,0|0,0,1]=3 54 B7R1.1 CCC1CCCN1 ALBB-014922 [1,0,0,1,0,0|1,0,0]=3 55 B7R1.1 CCC1CCCN1 ALBB-014922 [1,0,0,1,0,0|1,0,0]=3 56 B7R1.1 OCC1CCCN1 ALBB-021094 [1,0,0,1,0,0|1,0,0]=3 57 B7R1.1 OCC1CCNC1 ALBB-005836 [1,0,0,1,0,0|1,0,0]=3 58 B7R1.3 BrC1CCCOC1 ALBB-005315 [1,0,0,1,0,0|2,0,0]=4 59 B7R1.3 BrC1CCSCC1 ALBB-022852 [1,0,0,1,0,0|2,0,0]=4 60 B7R1.3 CC1CNCCO1 ALBB-018624 [1,0,0,1,0,0|1,0,0]=3 61 B7R1.3 NC1CCCOC1 ALBB-005268 [1,0,0,1,0,0|2,0,0]=4 62 B7R1.3 NC1CCNCC1 ALBB-027340 [1,0,0,1,0,0|2,0,0]=4 63 B7R1.3 OC1CCOCC1 ALBB-016822 [1,0,0,1,0,0|1,0,0]=3 64 B7R1.6 CNCC1CCC1 ALBB-016146 [1,0,0,1,0,0|1,0,0]=3 65 B7R1.6 N#CCC1CCC1 ALBB-023585 [1,0,0,1,0,0|1,0,1]=4 66 B7R1.6 NNCC1CCC1 ALBB-028806 [1,0,0,1,0,0|2,0,0]=4 67 B7R1.7 CCNCC1CC1 ALBB-010772 [1,0,0,1,0,0|1,0,0]=3 68 B7R1.24 C1CNCCOC1 ALBB-008642 [1,0,0,1,0,0|1,0,0]=3 69 B9R1.2 CCN1CCCC(N)C1 ALBB-018258 [0,1,0,1,0,0|2,0,0]=4 70 B9R1.2 CN1CCCC(CBr)C1 ALBB-014337 [0,1,0,1,0,0|2,0,0]=4 71 B9R1.2 CN1CCCC(CCl)C1 ALBB-022276 [0,1,0,1,0,0|2,0,0]=4 72 B9R1.2 CN1CCCC(CO)C1 ALBB-014438 [0,1,0,1,0,0|1,0,0]=3 73 B9R1.8 BrCCN1CCNCC1 ALBB-023372 [0,1,0,1,0,0|2,0,0]=4 74 B9R1.8 CCNC1CCOCC1 ALBB-008877 [0,1,0,1,0,0|2,0,0]=4 75 B9R1.8 CNCC1CCCCO1 ALBB-012353 [0,1,0,1,0,0|0,0,0]=2 76 B9R1.8 CNCC1CCNCC1 ALBB-013231 [0,1,0,1,0,0|2,0,0]=4 77 B9R1.8 COCC1CCCNC1 ALBB-011792 [0,1,0,1,0,0|1,0,0]=3 78 B9R1.8 COCC1CCCNC1 ALBB-011792 [0,1,0,1,0,0|1,0,0]=3 79 B9R1.8 COCC1CCNCC1 ALBB-013234 [0,1,0,1,0,0|1,0,0]=3 80 B9R1.8 CSCC1CCCNC1 ALBB-016758 [0,1,0,1,0,0|1,1,0]=4 81 B9R1.8 CSCC1CCNCC1 ALBB-016272 [0,1,0,1,0,0|1,1,0]=4 82 B9R1.8 ClCCC1CCCCN1 ALBB-033810 [0,1,0,1,0,0|1,0,0]=3 83 B9R1.8 N#CCC1CCCCN1 ALBB-026521 [0,1,0,1,0,0|1,0,1]=4 84 B9R1.8 N#CCC1CCCOC1 ALBB-008688 [0,1,0,1,0,0|1,0,1]=4 85 B9R1.8 NCCC1CCCCO1 ALBB-025512 [0,1,0,1,0,0|0,0,0]=2 86 B9R1.8 NCCC1CCCNC1 ALBB-012776 [0,1,0,1,0,0|1,0,0]=3 87 B9R1.8 NCCC1CCCOC1 ALBB-010762 [0,1,0,1,0,0|1,0,0]=3 88 B9R1.8 NCCN1CCCCC1 ALBB-021056 [0,1,0,1,0,0|1,0,0]=3 89 B9R1.8 NCCN1CCCCO1 ALBB-016258 [0,1,0,1,0,0|1,0,0]=3 90 B9R1.8 OCCC1CCCCO1 ALBB-028765 [0,1,0,1,0,0|0,0,0]=2 91 B9R1.8 OCCC1CNCCO1 ALBB-028763 [0,1,0,1,0,0|1,0,0]=3 92 B9R1.12 NCCSC1CCCC1 ALBB-027079 [0,1,0,1,0,0|1,0,0]=3 93 B9R1.12 O=C=NCC1CCCO1 ALBB-003057 [0,1,0,1,0,0|1,0,1]=4 94 B9R1.12 OCCCN1CCCC1 ALBB-022007 [0,1,0,1,0,0|0,0,0]=2 95 B9R1.15 CN1CCCCC1CBr ALBB-017796 [0,1,0,1,0,0|1,0,0]=3 96 B9R1.15 CN1CCCCC1CCl ALBB-010766 [0,1,0,1,0,0|1,0,0]=3 97 B9R1.15 CN1CCCCC1CN ALBB-005236 [0,1,0,1,0,0|1,0,0]=3 98 B9R1.33 CNCC1CCCN1C ALBB-034817 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.48 CC1CCCCC(=O)N1 ALBB-027128 [0,1,0,1,0,0|0,0,2]=4 100 B9R1.69 OC1C[C@@H](O)[C@@H](O)CO1 ALBB-029810 [0,1,0,1,0,0|2,0,0]=4 101 B9R1.134 NCCC1(O)CCCC1 ALBB-011802 [0,1,0,1,0,0|1,0,0]=3 102 B9R1.14 CCN1CCCC1CBr ALBB-014338 [0,1,0,1,0,0|1,0,0]=3 103 B9R1.14 CCN1CCCC1CCl ALBB-029049 [0,1,0,1,0,0|1,0,0]=3 104 B9R1.89 CCC1CCCNCC1 ALBB-016472 [0,1,0,1,0,0|1,0,0]=3 105 B9R1.89 CCN1CCCNCC1 ALBB-028788 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.1 CN1CCC(CBr)CC1 ALBB-014336 [0,1,0,1,0,0|2,0,0]=4 107 B9R1.1 CN1CCC(CCl)CC1 ALBB-017803 [0,1,0,1,0,0|2,0,0]=4 108 B9R1.1 CO[C@H]1CC[C@H](N)CC1 ALBB-026665 [0,1,0,1,0,0|2,0,0]=4 109 B9R1.3 CC1CCCC(C)N1N ALBB-028453 [0,1,0,1,0,0|2,0,0]=4 110 B9R1.11 CC(CO)N1CCCC1 ALBB-005659 [0,1,0,1,0,0|1,0,0]=3 111 B9R1.21 CCN1CCC(CBr)C1 ALBB-017802 [0,1,0,1,0,0|2,0,0]=4 112 B9R1.118 CC1(CBr)COCCO1 ALBB-032574 [0,1,0,1,0,0|2,0,0]=4 113 B9R1.118 CC1(CO)COCCO1 ALBB-032052 [0,1,0,1,0,0|2,0,0]=4 114 B9R1.118 NC1(CO)CCCCC1 ALBB-011536 [0,1,0,1,0,0|0,0,0]=2 115 B9R1.6 CC(N)C1CCCCN1 ALBB-008640 [0,1,0,1,0,0|1,0,0]=3 116 B9R1.6 O=C(O)C1CCCOC1 ALBB-018072 [0,1,0,1,0,0|1,0,1]=4 117 B9R1.13 O=C(O)CC1CCCO1 ALBB-014184 [0,1,0,1,0,0|1,0,1]=4 118 B9R1.24 CC1(C)OCCC1CN ALBB-030534 [0,1,0,1,0,0|2,0,0]=4 119 B9R1.24 CC1(C)OCCC1CO ALBB-030413 [0,1,0,1,0,0|1,0,0]=3 120 B9R1.84 O=C(O)CCC1CCC1 ALBB-018053 [0,1,0,1,0,0|0,0,1]=3 121 B9R1.148 CC1(C)CNCCCO1 ALBB-026938 [0,1,0,1,0,0|1,0,0]=3 122 B9R1.148 CC1(N)CCCCCC1 ALBB-027111 [0,1,0,1,0,0|1,0,0]=3