0 B7R0.6 CC(C)SCC(=O)O ALBB-005684 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.6 N=C(N)SCC(N)=O ALBB-022836 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.4 CC(=O)NCC#N ALBB-022348 [1,0,0,0,0,0|2,0,1]=4 3 B6R0.4 CNCCC(=O)O ALBB-013461 [1,0,0,0,0,0|1,0,0]=2 4 B6R0.4 COCCC(C)=O ALBB-027646 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.4 COCCC(C)O ALBB-036368 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.4 NC(=O)CCCCl ALBB-018689 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.4 NCCCC(N)=O ALBB-023443 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.9 CC(=O)NC\C(N)=N/O ALBB-022349 [0,1,0,0,0,0|2,0,0]=3 9 B8R0.9 CCC(=O)CCC(=O)O ALBB-025658 [0,1,0,0,0,0|0,0,0]=1 10 B8R0.9 CCN(C)CCC(=O)O ALBB-004150 [0,1,0,0,0,0|2,0,0]=3 11 B8R0.9 CCN(C)CCC(=O)O ALBB-004150 [0,1,0,0,0,0|2,0,0]=3 12 B8R0.23 CC(C)CC(N)C(N)=O ALBB-025646 [0,1,0,0,0,0|2,0,1]=4 13 B8R0.23 CC(C)N(C)CC(=O)O ALBB-028772 [0,1,0,0,0,0|2,0,1]=4 14 B8R0.23 CC(CC(=O)O)N(C)C ALBB-004031 [0,1,0,0,0,0|2,0,0]=3 15 B8R0.23 CC(CN(C)C)C(=O)O ALBB-004149 [0,1,0,0,0,0|2,0,0]=3 16 B8R0.29 CS(=O)(=O)CCC(=O)O ALBB-016284 [0,1,0,0,0,0|1,0,0]=2 17 B8R1.3 O=C1CCS(=O)CC1 ALBB-009269 [0,0,0,1,0,0|2,0,0]=3 18 B8R1.23 O=C(O)C1CC(O)C1 ALBB-029104 [0,0,0,1,0,0|0,0,2]=3 19 B6R0.2 NC(=O)CC(=O)O ALBB-009535 [0,0,0,0,1,0|1,0,0]=2 20 B8R0.28 NC(=O)CCCC(=O)O ALBB-003883 [0,0,0,0,0,1|1,0,0]=2 21 B8R0.28 NC(=O)COCC(=O)O ALBB-003798 [0,0,0,0,0,1|1,0,0]=2 22 B5R0.1 CS(=O)CCN ALBB-011537 [2,0,0,0,0,0|2,0,0]=4 23 B5R0.1 NC(=O)CCO ALBB-027682 [2,0,0,0,0,0|1,0,0]=3 24 B7R0.2 CCN(C)CC(=O)O ALBB-004039 [1,1,0,0,0,0|1,0,1]=4 25 B7R0.2 CNC(=O)CC(=O)O ALBB-009534 [1,1,0,0,0,0|1,0,1]=4 26 B7R0.2 CNC(C)CC(=O)O ALBB-012389 [1,1,0,0,0,0|1,0,0]=3 27 B7R0.4 CCCNCC(=O)O ALBB-034573 [1,1,0,0,0,0|0,0,1]=3 28 B7R0.4 CCSCCC(=O)O ALBB-004315 [1,1,0,0,0,0|0,0,1]=3 29 B7R0.5 CC(NC=O)C(=O)O ALBB-004064 [1,1,0,0,0,0|1,0,0]=3 30 B7R0.5 CNCC(C)C(=O)O ALBB-016160 [1,1,0,0,0,0|1,0,0]=3 31 B7R0.8 CNCCS(=O)(=O)O ALBB-025744 [1,1,0,0,0,0|2,0,0]=4 32 B7R0.16 CC(C(=O)O)N(C)C ALBB-000114 [0,1,0,0,1,0|2,0,0]=4 33 B9R0.7 CC(C)N(C)CCC(=O)O ALBB-004151 [0,1,0,0,0,1|1,0,1]=4 34 B9R0.42 CCN(C)CC(C)C(=O)O ALBB-004148 [0,2,0,0,0,0|2,0,0]=4 35 B9R0.64 CCS(=O)(=O)CCC(=O)O ALBB-005690 [0,2,0,0,0,0|1,0,0]=3 36 B9R0.10 CC(CC(=O)O)C(C)(C)N ALBB-018089 [0,2,0,0,0,0|1,0,1]=4 37 B9R0.11 CC(=O)NC(C)(C)C(=O)O ALBB-016630 [0,2,0,0,0,0|1,0,0]=3 38 B7R1.2 CC1CNC(=O)O1 ALBB-022254 [1,0,0,1,0,0|1,0,1]=4 39 B7R1.2 O=C1CNC(=O)C1 ALBB-030115 [1,0,0,1,0,0|1,0,0]=3 40 B7R1.18 NC(=O)C1CCC1 ALBB-016496 [1,0,0,1,0,0|1,0,1]=4 41 B7R1.20 O=C(Cl)CC1CC1 ALBB-022362 [1,0,0,1,0,0|1,0,1]=4 42 B9R1.35 C=C1CCC(C(=O)O)C1 ALBB-032418 [0,0,0,1,0,1|1,0,0]=3 43 B9R1.35 CC(=O)N1CCC(O)C1 ALBB-029107 [0,0,0,1,0,1|1,0,1]=4 44 B9R1.35 CC1=NC(C(=O)O)CC1 ALBB-029781 [0,0,0,1,0,1|1,0,0]=3 45 B9R1.35 CC1=NOC(C(=O)O)C1 ALBB-009863 [0,0,0,1,0,1|2,0,0]=4 46 B9R1.35 CN1CCC(C(=O)O)C1 ALBB-004694 [0,0,0,1,0,1|2,0,0]=4 47 B9R1.161 O=C(O)[C@H]1C[C@@H]1[N+](=O)[O-] ALBB-030070 [0,0,0,1,0,1|2,0,0]=4 48 B9R1.10 O=C1CCS(=O)(=O)CC1 ALBB-011930 [0,1,0,1,0,0|1,0,1]=4 49 B9R1.84 O=C(O)CCC1CCC1 ALBB-018053 [0,1,0,1,0,0|1,0,1]=4 50 B9R0.55 O=C(O)CNNCC(=O)O ALBB-029031 [0,0,0,0,0,2|1,0,0]=3