0 B6R0.1 CCCC(O)CN ALBB-031019 [0,0,0,0,0,0|1,0,0]=1 1 B6R0.1 CCNC(C)CO ALBB-004074 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.1 CCOC(=N)CC ALBB-022391 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.1 CCOC(=N)CCl ALBB-022622 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 CCOC(C)CN ALBB-019159 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.1 CCOC(C)CN ALBB-019159 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.1 CNC(C)CCO ALBB-004088 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.1 CNCC(C)CO ALBB-033765 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.1 CNCC(C)OC ALBB-009408 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.1 COC(=O)CCO ALBB-013447 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.1 COC(C)CCN ALBB-022248 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.1 COCC(C)C#N ALBB-014785 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.1 COCC(O)CN ALBB-012236 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.1 CC(O)CNN ALBB-030485 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.1 CS(=O)CCN ALBB-011537 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.2 CCC#CCO ALBB-031790 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.2 COCCNN ALBB-026577 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.2 COCCNN ALBB-026577 [1,0,0,0,0,0|3,0,0]=4 18 B5R0.2 N#CCCCN ALBB-027963 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.2 N#CCCCO ALBB-032447 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.2 NNCCCO ALBB-027247 [1,0,0,0,0,0|3,0,0]=4 21 B5R0.3 CC(CN)CO ALBB-018185 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.3 CNC(C)CO ALBB-014691 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.3 COC(C)CN ALBB-009407 [1,0,0,0,0,0|3,0,0]=4 24 B7R0.2 CC(C)CC(O)CN ALBB-031018 [0,1,0,0,0,0|1,0,0]=2 25 B7R0.2 CC(CO)CN(C)C ALBB-004090 [0,1,0,0,0,0|3,0,0]=4 26 B7R0.2 CN(C)CC(O)CN ALBB-022382 [0,1,0,0,0,0|2,0,0]=3 27 B7R0.3 CCCOC(C)CN ALBB-012971 [0,1,0,0,0,0|2,0,0]=3 28 B7R0.3 CCN(C)CCCN ALBB-014682 [0,1,0,0,0,0|2,0,0]=3 29 B7R0.3 CCN(C)CCCO ALBB-004106 [0,1,0,0,0,0|2,0,0]=3 30 B7R0.5 CC(CCN)N(C)C ALBB-004082 [0,1,0,0,0,0|3,0,0]=4 31 B7R0.5 CC(CCO)N(C)C ALBB-004104 [0,1,0,0,0,0|3,0,0]=4 32 B7R0.5 CCOC(=N)C(C)C ALBB-022392 [0,1,0,0,0,0|2,0,1]=4 33 B7R0.5 CCOC(=N)C(C)O ALBB-027997 [0,1,0,0,0,0|2,0,1]=4 34 B7R0.7 CCNC(C)CCO ALBB-004115 [0,1,0,0,0,0|2,0,0]=3 35 B7R0.7 CN(CCN)CCO ALBB-028781 [0,1,0,0,0,0|3,0,0]=4 36 B7R0.11 CCCC(C)(O)C#N ALBB-032346 [0,1,0,0,0,0|1,0,1]=3 37 B7R0.11 CCS(=O)(=O)CCCl ALBB-008889 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.11 CCS(=O)(=O)CCN ALBB-010778 [0,1,0,0,0,0|2,0,1]=4 39 B7R0.11 CCS(=O)(=O)CCN ALBB-010778 [0,1,0,0,0,0|2,0,1]=4 40 B7R0.11 CNCC(C)(C)CO ALBB-010089 [0,1,0,0,0,0|3,0,0]=4 41 B7R0.11 COC(C)(C)CCN ALBB-016800 [0,1,0,0,0,0|3,0,0]=4 42 B7R1.1 CCC1CCCN1 ALBB-014922 [0,0,0,1,0,0|1,0,0]=2 43 B7R1.1 CCC1CCCN1 ALBB-014922 [0,0,0,1,0,0|1,0,0]=2 44 B7R1.1 OCC1CCCN1 ALBB-021094 [0,0,0,1,0,0|2,0,0]=3 45 B7R1.1 OCC1CCNC1 ALBB-005836 [0,0,0,1,0,0|3,0,0]=4 46 B7R1.2 CN1CCC(N)C1 ALBB-016754 [0,0,0,1,0,0|2,0,0]=3 47 B7R1.3 BrC1CCCOC1 ALBB-005315 [0,0,0,1,0,0|2,0,0]=3 48 B7R1.3 BrC1CCSCC1 ALBB-022852 [0,0,0,1,0,0|2,0,0]=3 49 B7R1.3 CC1CNCCO1 ALBB-018624 [0,0,0,1,0,0|3,0,0]=4 50 B7R1.3 NC1CCCOC1 ALBB-005268 [0,0,0,1,0,0|2,0,0]=3 51 B7R1.3 NC1CCNCC1 ALBB-027340 [0,0,0,1,0,0|2,0,0]=3 52 B7R1.3 NN1CCSCC1 ALBB-026990 [0,0,0,1,0,0|3,0,0]=4 53 B7R1.3 OC1CCOCC1 ALBB-016822 [0,0,0,1,0,0|1,0,0]=2 54 B7R1.4 NC1CCCC1=O ALBB-030356 [0,0,0,1,0,0|1,0,2]=4 55 B7R1.6 CNCC1CCC1 ALBB-016146 [0,0,0,1,0,0|2,0,0]=3 56 B7R1.6 N#CCC1CCC1 ALBB-023585 [0,0,0,1,0,0|2,0,1]=4 57 B7R1.6 NNCC1CCC1 ALBB-028806 [0,0,0,1,0,0|3,0,0]=4 58 B7R1.10 NCC1CC(O)C1 ALBB-029106 [0,0,0,1,0,0|3,0,0]=4 59 B7R1.21 CNCC1(C)CC1 ALBB-032777 [0,0,0,1,0,0|2,0,0]=3 60 B7R1.21 COCC1(N)CC1 ALBB-021474 [0,0,0,1,0,0|2,0,0]=3 61 B7R1.22 CCC(N)C1CC1 ALBB-018073 [0,0,0,1,0,0|1,0,0]=2 62 B7R1.22 COC(=N)C1CC1 ALBB-033323 [0,0,0,1,0,0|2,0,1]=4 63 B4R0.2 CCCNN ALBB-029755 [2,0,0,0,0,0|2,0,0]=4 64 B4R0.2 CNCCCl ALBB-023508 [2,0,0,0,0,0|2,0,0]=4 65 B6R0.2 CC(N)CC(C)O ALBB-030473 [1,1,0,0,0,0|0,0,0]=2 66 B6R0.3 CC(C)C(O)CN ALBB-027973 [1,1,0,0,0,0|2,0,0]=4 67 B6R0.4 CC(C)SCCN ALBB-011948 [1,1,0,0,0,0|2,0,0]=4 68 B6R0.4 CCNCC(C)O ALBB-017752 [1,1,0,0,0,0|0,0,0]=2 69 B6R0.4 CNCCC(=O)O ALBB-013461 [1,1,0,0,0,0|1,0,1]=4 70 B6R0.4 COCCC(C)=O ALBB-027646 [1,1,0,0,0,0|0,0,2]=4 71 B6R0.4 COCCC(C)O ALBB-036368 [1,1,0,0,0,0|0,0,0]=2 72 B6R0.5 CC(C)(N)CCO ALBB-020783 [1,1,0,0,0,0|2,0,0]=4 73 B6R0.5 CC(C)(O)CC#N ALBB-018179 [1,1,0,0,0,0|1,0,1]=4 74 B6R0.5 CC(C)(O)CCN ALBB-018180 [1,1,0,0,0,0|1,0,0]=3 75 B6R0.5 CC(C)(O)CNN ALBB-026691 [1,1,0,0,0,0|2,0,0]=4 76 B6R0.5 CNCC(C)(C)C ALBB-019178 [1,1,0,0,0,0|2,0,0]=4 77 B6R0.5 CNCC(C)(C)O ALBB-026587 [1,1,0,0,0,0|1,0,0]=3 78 B6R0.5 COCC(C)(C)N ALBB-013365 [1,1,0,0,0,0|2,0,0]=4 79 B6R0.6 CCCSCCN ALBB-013368 [1,1,0,0,0,0|1,0,0]=3 80 B6R0.6 CCOCCNC ALBB-019162 [1,1,0,0,0,0|1,0,0]=3 81 B6R0.6 CCSCCNC ALBB-013382 [1,1,0,0,0,0|1,0,0]=3 82 B6R0.8 C#CC(C)(O)CC ALBB-031801 [1,1,0,0,0,0|0,0,2]=4 83 B6R0.8 CCC(C)(N)CC ALBB-027112 [1,1,0,0,0,0|1,0,0]=3 84 B6R0.8 CCC(C)(O)C#N ALBB-032357 [1,1,0,0,0,0|1,0,1]=4 85 B6R0.8 CCC(C)(O)CN ALBB-032351 [1,1,0,0,0,0|1,0,0]=3 86 B6R0.9 CCC(C#N)NC ALBB-017773 [1,1,0,0,0,0|2,0,0]=4 87 B8R0.1 CCOC(=O)CCNC ALBB-022247 [0,2,0,0,0,0|0,0,2]=4 88 B8R0.9 CC(C)OCC(O)CN ALBB-031202 [0,2,0,0,0,0|1,0,0]=3 89 B8R0.25 CCS(=O)(=O)CCNC ALBB-013369 [0,2,0,0,0,0|1,0,1]=4 90 B6R1.2 NC1CCOC1 ALBB-010786 [1,0,0,1,0,0|2,0,0]=4 91 B6R1.2 NC1CCOC1 ALBB-010786 [1,0,0,1,0,0|2,0,0]=4 92 B6R1.2 OC1CNOC1 ALBB-016824 [1,0,0,1,0,0|2,0,0]=4 93 B6R1.3 CCNC1CC1 ALBB-005301 [1,0,0,1,0,0|2,0,0]=4 94 B6R1.3 CNCC1CC1 ALBB-016294 [1,0,0,1,0,0|2,0,0]=4 95 B6R1.10 CC1(N)CCC1 ALBB-025000 [1,0,0,1,0,0|1,0,0]=3 96 B6R1.10 CC1(N)CCC1 ALBB-025000 [1,0,0,1,0,0|1,0,0]=3 97 B6R1.11 CC(N)C1CC1 ALBB-013362 [1,0,0,1,0,0|1,0,0]=3 98 B6R1.1 C1CCONC1 ALBB-010164 [1,0,0,1,0,0|2,0,0]=4 99 B6R1.7 CC1(CN)CC1 ALBB-022296 [1,0,0,1,0,0|2,0,0]=4 100 B6R1.7 CCC1(N)CC1 ALBB-026941 [1,0,0,1,0,0|1,0,0]=3 101 B8R1.1 CC1=NOC(CN)C1 ALBB-010040 [0,1,0,1,0,0|1,0,1]=4 102 B8R1.1 CC1=NOC(CO)C1 ALBB-009820 [0,1,0,1,0,0|1,0,1]=4 103 B8R1.1 CN1CCC(CBr)C1 ALBB-017795 [0,1,0,1,0,0|2,0,0]=4 104 B8R1.1 CN1CCC(CCl)C1 ALBB-017756 [0,1,0,1,0,0|2,0,0]=4 105 B8R1.1 CN1CCC(CCl)C1 ALBB-017756 [0,1,0,1,0,0|2,0,0]=4 106 B8R1.1 CN1CCC(CO)C1 ALBB-013303 [0,1,0,1,0,0|1,0,0]=3 107 B8R1.1 CN1CCC(CO)C1 ALBB-013303 [0,1,0,1,0,0|1,0,0]=3 108 B8R1.1 O=C1CCC(CBr)O1 ALBB-027787 [0,1,0,1,0,0|1,0,1]=4 109 B8R1.1 O=C1CCC(CCl)O1 ALBB-014758 [0,1,0,1,0,0|1,0,1]=4 110 B8R1.4 CC1CCCC(=O)N1 ALBB-028844 [0,1,0,1,0,0|0,0,2]=4 111 B8R1.4 CN1CCCC(N)C1 ALBB-005321 [0,1,0,1,0,0|1,0,0]=3 112 B8R1.4 CN1CCCC(N)C1 ALBB-005321 [0,1,0,1,0,0|1,0,0]=3 113 B8R1.42 CN(C)CC1(N)CC1 ALBB-018282 [0,1,0,1,0,0|2,0,0]=4 114 B8R1.51 CC1(C)CC(N)CO1 ALBB-027279 [0,1,0,1,0,0|2,0,0]=4 115 B8R1.51 CC1(C)CC(O)CO1 ALBB-030531 [0,1,0,1,0,0|1,0,0]=3 116 B8R1.51 CC1CNC(C)(C)C1 ALBB-026385 [0,1,0,1,0,0|2,0,0]=4 117 B8R1.51 O=S1(=O)CCC(O)C1 ALBB-027898 [0,1,0,1,0,0|2,0,0]=4 118 B8R1.2 BrCC1CCCNC1 ALBB-005308 [0,1,0,1,0,0|2,0,0]=4 119 B8R1.2 CCC1CCNCC1 ALBB-016700 [0,1,0,1,0,0|1,0,0]=3 120 B8R1.2 CCC1CNCCO1 ALBB-011803 [0,1,0,1,0,0|0,0,0]=2 121 B8R1.2 CNC1CCOCC1 ALBB-000085 [0,1,0,1,0,0|2,0,0]=4 122 B8R1.2 CNC1CCSCC1 ALBB-012271 [0,1,0,1,0,0|2,0,0]=4 123 B8R1.2 COC1CCCNC1 ALBB-004177 [0,1,0,1,0,0|1,0,0]=3 124 B8R1.2 COC1CCCNC1 ALBB-004177 [0,1,0,1,0,0|1,0,0]=3 125 B8R1.2 ClCC1COCCO1 ALBB-005877 [0,1,0,1,0,0|1,0,0]=3 126 B8R1.2 NCC1CCCCO1 ALBB-024717 [0,1,0,1,0,0|1,0,0]=3 127 B8R1.2 NCC1CCCOC1 ALBB-012430 [0,1,0,1,0,0|1,0,0]=3 128 B8R1.2 NCC1CCCOC1 ALBB-012430 [0,1,0,1,0,0|1,0,0]=3 129 B8R1.2 NCC1CNCCO1 ALBB-027338 [0,1,0,1,0,0|1,0,0]=3 130 B8R1.2 NCC1COCCO1 ALBB-000042 [0,1,0,1,0,0|1,0,0]=3 131 B8R1.2 NNC1CCNCC1 ALBB-014983 [0,1,0,1,0,0|2,0,0]=4 132 B8R1.2 OCC1CCCOC1 ALBB-005328 [0,1,0,1,0,0|1,0,0]=3 133 B8R1.2 OCC1COCCO1 ALBB-021709 [0,1,0,1,0,0|1,0,0]=3 134 B8R1.5 CC1CCCNC1C ALBB-026115 [0,1,0,1,0,0|1,0,0]=3 135 B8R1.5 CC1CCCNC1C ALBB-026115 [0,1,0,1,0,0|1,0,0]=3 136 B8R1.5 C[C@H]1CNCC[C@@H]1O ALBB-030117 [0,1,0,1,0,0|0,0,0]=2 137 B8R1.5 NC1CCCCC1=O ALBB-031058 [0,1,0,1,0,0|0,0,2]=4 138 B8R1.5 O[C@H]1CNCC[C@H]1O ALBB-030034 [0,1,0,1,0,0|1,0,0]=3 139 B8R1.22 CC1CCCCCN1 ALBB-016557 [0,1,0,1,0,0|1,0,0]=3 140 B8R1.22 CC1CCCNCC1 ALBB-013456 [0,1,0,1,0,0|1,0,0]=3 141 B8R1.22 CC1CNCCCO1 ALBB-026617 [0,1,0,1,0,0|2,0,0]=4 142 B8R1.41 CCOCC1(N)CC1 ALBB-027799 [0,1,0,1,0,0|1,0,0]=3 143 B8R1.52 CC1(C#N)CCCO1 ALBB-005312 [0,1,0,1,0,0|1,0,1]=4 144 B8R1.52 CC1(CN)OCCO1 ALBB-031805 [0,1,0,1,0,0|2,0,0]=4 145 B8R1.52 N#CC1(O)CCCC1 ALBB-032344 [0,1,0,1,0,0|1,0,1]=4 146 B8R1.7 CC(=O)C1CCCC1 ALBB-012222 [0,1,0,1,0,0|1,0,1]=4 147 B8R1.7 O=C(Cl)C1CCCO1 ALBB-034786 [0,1,0,1,0,0|1,0,1]=4 148 B8R1.19 CC1(C)OCCC1N ALBB-030739 [0,1,0,1,0,0|2,0,0]=4 149 B8R1.37 CCOC(=N)C1CC1 ALBB-013387 [0,1,0,1,0,0|1,0,1]=4 150 B8R1.8 CNCC1CCCC1 ALBB-016143 [0,1,0,1,0,0|1,0,0]=3 151 B8R1.8 NCCC1CCCC1 ALBB-013284 [0,1,0,1,0,0|1,0,0]=3 152 B8R1.11 CN1CCCC1CBr ALBB-016553 [0,1,0,1,0,0|2,0,0]=4 153 B8R1.11 CN1CCCC1CCl ALBB-029048 [0,1,0,1,0,0|2,0,0]=4 154 B8R1.11 CN1CCCC1CO ALBB-016476 [0,1,0,1,0,0|1,0,0]=3 155 B8R1.11 CO[C@@H]1COC[C@H]1N ALBB-029787 [0,1,0,1,0,0|2,0,0]=4 156 B8R1.66 COCC1(N)CCC1 ALBB-021475 [0,1,0,1,0,0|1,0,0]=3 157 B8R1.28 CCC(C)(O)C1CC1 ALBB-015056 [0,1,0,1,0,0|0,0,0]=2 158 B8R1.72 CC1(C)CCCNC1 ALBB-005215 [0,1,0,1,0,0|2,0,0]=4 159 B8R1.72 CC1(C)CCCNC1 ALBB-005215 [0,1,0,1,0,0|2,0,0]=4 160 B8R1.72 CC1(N)CCCCC1 ALBB-027110 [0,1,0,1,0,0|1,0,0]=3 161 B8R1.82 CNCC1(C#N)CC1 ALBB-032778 [0,1,0,1,0,0|2,0,0]=4 162 B8R1.82 COCC1(C#N)CC1 ALBB-027285 [0,1,0,1,0,0|2,0,0]=4 163 B8R1.82 COCC1(CBr)CC1 ALBB-028767 [0,1,0,1,0,0|2,0,0]=4 164 B8R1.82 COCC1(CN)CC1 ALBB-027282 [0,1,0,1,0,0|2,0,0]=4 165 B8R1.82 COCC1(CO)CC1 ALBB-028764 [0,1,0,1,0,0|1,0,0]=3 166 B8R1.82 NCCC1(CO)CC1 ALBB-033574 [0,1,0,1,0,0|1,0,0]=3 167 B8R1.60 N#CC1(CO)CCC1 ALBB-016804 [0,1,0,1,0,0|1,0,1]=4 168 B8R2.55 C1CC2(CC2)CN1 ALBB-030533 [0,0,0,2,0,0|2,0,0]=4 169 B8R2.41 NC1(C2CC2)CC1 ALBB-021476 [0,0,0,2,0,0|1,0,0]=3