0 B6R0.2 CC(N)CC(=O)O ALBB-014344 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.2 CN(C)CC(N)=S ALBB-026999 [0,0,0,0,0,0|0,1,0]=1 2 B5R0.1 CC(C)CNN ALBB-029756 [1,0,0,0,0,0|2,0,0]=3 3 B5R0.1 CC(C)N=C=O ALBB-003059 [1,0,0,0,0,0|2,0,1]=4 4 B5R0.1 CCCC(=N)N ALBB-033963 [1,0,0,0,0,0|2,0,0]=3 5 B5R0.1 CNCC(C)=O ALBB-016173 [1,0,0,0,0,0|1,0,0]=2 6 B5R0.1 CNCC(C)O ALBB-012392 [1,0,0,0,0,0|1,0,2]=4 7 B5R0.1 N=C(N)CCCl ALBB-033775 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.2 CC(C#N)CN(C)C ALBB-004116 [0,1,0,0,0,0|1,0,2]=4 9 B7R0.2 CC(C)CC(=O)NN ALBB-002480 [0,1,0,0,0,0|1,0,0]=2 10 B7R0.2 CC(C)NC(=O)CCl ALBB-021173 [0,1,0,0,0,0|3,0,0]=4 11 B7R0.2 CC(O)CC(=O)NN ALBB-002757 [0,1,0,0,0,0|2,0,0]=3 12 B7R0.2 CCN(C)CC(C)=O ALBB-003772 [0,1,0,0,0,0|1,0,0]=2 13 B7R0.2 CN(C)C\C(N)=N\O ALBB-022604 [0,1,0,0,0,0|0,0,1]=2 14 B7R0.2 COC(=N)CC(C)C ALBB-033293 [0,1,0,0,0,0|1,0,2]=4 15 B7R0.2 NCC(O)CC(=O)O ALBB-023689 [0,1,0,0,0,0|3,0,0]=4 16 B7R0.9 CC(N)CC(C)(C)N ALBB-036444 [0,1,0,0,0,0|2,0,1]=4 17 B7R0.16 CC(=O)C(=O)N(C)C ALBB-027673 [0,1,0,0,0,0|1,0,1]=3 18 B7R1.2 CN1C=CC(N)=N1 ALBB-004727 [0,0,0,1,0,0|2,0,1]=4 19 B7R1.2 CN1C=CC(N)=N1 ALBB-004727 [0,0,0,1,0,0|2,0,1]=4 20 B7R1.20 CN(C)CC1CO1 ALBB-031543 [0,0,0,1,0,0|1,0,2]=4 21 B7R1.20 O=C(O)CC1CC1 ALBB-022364 [0,0,0,1,0,0|2,0,0]=3 22 B5R0.5 C=C(C)C(C)=O ALBB-035703 [0,0,0,0,1,0|2,0,1]=4 23 B5R0.5 CC(C)C(=N)N ALBB-033137 [0,0,0,0,1,0|2,0,0]=3 24 B5R0.5 CC(C)C(N)=S ALBB-031241 [0,0,0,0,1,0|1,1,0]=3 25 B5R0.5 CC(Cl)C(N)=O ALBB-013454 [0,0,0,0,1,0|2,0,0]=3 26 B5R0.5 CN(C)C(=N)N ALBB-028041 [0,0,0,0,1,0|1,0,0]=2 27 B7R0.6 C=C(C)COC(C)=O ALBB-015064 [0,0,0,0,0,1|2,0,1]=4 28 B7R0.6 CC(=O)CCN(C)C ALBB-011785 [0,0,0,0,0,1|1,0,0]=2 29 B7R0.6 CC(=O)NCC(=O)O ALBB-019763 [0,0,0,0,0,1|3,0,0]=4 30 B7R0.6 CC(=O)OCC(=O)Cl ALBB-013561 [0,0,0,0,0,1|3,0,0]=4 31 B7R0.6 CN(C)CCC(=O)O ALBB-004693 [0,0,0,0,0,1|1,0,0]=2 32 B7R0.6 CN(C)CCC(=O)O ALBB-004693 [0,0,0,0,0,1|1,0,0]=2 33 B7R0.6 CN(C)\C=C\[N+](=O)[O-] ALBB-035699 [0,0,0,0,0,1|2,0,1]=4 34 B4R0.1 CC(C)NN ALBB-031747 [2,0,0,0,0,0|2,0,0]=4 35 B4R0.1 CCS(=O)[O-] ALBB-026504 [2,0,0,0,0,0|2,0,0]=4 36 B4R0.1 NC(=O)CO ALBB-031510 [2,0,0,0,0,0|1,0,0]=3 37 B4R0.1 NC(=O)NO ALBB-028465 [2,0,0,0,0,0|1,0,0]=3 38 B4R0.2 CNCCI ALBB-023404 [2,0,0,0,0,0|1,0,1]=4 39 B4R0.2 CNCCO ALBB-012133 [2,0,0,0,0,0|0,0,2]=4 40 B4R0.2 CSCCN ALBB-013381 [2,0,0,0,0,0|1,0,1]=4 41 B6R0.1 CCCC(=O)NN ALBB-002745 [1,1,0,0,0,0|1,0,0]=3 42 B6R0.1 CNC(=O)CC#N ALBB-004139 [1,1,0,0,0,0|2,0,0]=4 43 B6R0.1 CNC(=O)CCCl ALBB-016142 [1,1,0,0,0,0|2,0,0]=4 44 B6R0.1 CNC(=O)CCN ALBB-017783 [1,1,0,0,0,0|2,0,0]=4 45 B6R0.1 CNC(=O)CCO ALBB-013463 [1,1,0,0,0,0|2,0,0]=4 46 B6R0.1 COCC(=O)NN ALBB-002746 [1,1,0,0,0,0|1,0,0]=3 47 B6R0.1 CSC\C(N)=N\O ALBB-014804 [1,1,0,0,0,0|1,0,1]=4 48 B6R0.3 CC(CO)N(C)C ALBB-033152 [1,1,0,0,0,0|0,0,2]=4 49 B6R0.3 CCC(N)C(=O)O ALBB-016221 [1,1,0,0,0,0|2,0,0]=4 50 B6R0.3 CNC(C)C(=O)O ALBB-021461 [1,1,0,0,0,0|1,0,0]=3 51 B6R0.3 CSC(C)C(=O)O ALBB-005886 [1,1,0,0,0,0|2,0,0]=4 52 B6R0.4 C=CCNC(C)C ALBB-004038 [1,1,0,0,0,0|2,0,0]=4 53 B6R0.4 CC(C)CCNN ALBB-033413 [1,1,0,0,0,0|1,0,1]=4 54 B6R0.4 CC(C)NCCN ALBB-006267 [1,1,0,0,0,0|1,0,1]=4 55 B6R0.4 CCNCC(=O)O ALBB-034584 [1,1,0,0,0,0|1,0,0]=3 56 B6R0.4 CCSCC(=O)O ALBB-004310 [1,1,0,0,0,0|2,0,0]=4 57 B6R0.4 CN(C)CCC#N ALBB-033142 [1,1,0,0,0,0|0,0,2]=4 58 B6R0.4 COCCN(C)C ALBB-034857 [1,1,0,0,0,0|0,0,2]=4 59 B6R0.4 CSCCC(=N)N ALBB-016455 [1,1,0,0,0,0|2,0,0]=4 60 B6R0.4 C\C=N\NC(N)=O ALBB-032782 [1,1,0,0,0,0|1,0,1]=4 61 B6R0.7 CC(C)(C)C(=N)N ALBB-025492 [0,1,0,0,1,0|2,0,0]=4 62 B8R0.9 CC(C)CNC(=O)CCl ALBB-011964 [0,1,0,0,0,1|2,0,0]=4 63 B8R0.23 CC(C)C(N)CC(=O)O ALBB-007459 [0,1,0,0,0,1|2,0,0]=4 64 B8R0.29 CC(C)(N)CCC(=O)O ALBB-016157 [0,1,0,0,0,1|2,0,0]=4 65 B8R0.29 CC(C)(N)CCC(=O)O ALBB-016157 [0,1,0,0,0,1|2,0,0]=4 66 B8R0.2 CCN(C)C(C)C(=O)O ALBB-029757 [0,2,0,0,0,0|1,0,0]=3 67 B8R0.5 CNCC(=O)NC(C)C ALBB-006992 [0,2,0,0,0,0|2,0,0]=4 68 B8R0.5 CNCC(=O)NC(C)C ALBB-006992 [0,2,0,0,0,0|2,0,0]=4 69 B8R0.16 COC(CC(=O)O)OC ALBB-026670 [0,2,0,0,0,0|2,0,0]=4 70 B8R0.19 CCN(C)CC(=O)NN ALBB-010704 [0,2,0,0,0,0|0,0,0]=2 71 B8R0.19 CCN(C)CC(C)CN ALBB-004070 [0,2,0,0,0,0|1,0,1]=4 72 B8R0.24 CC(C)(C)CC(=O)NN ALBB-028034 [0,2,0,0,0,0|1,0,0]=3 73 B8R0.24 CC(C)(C)OC(=O)NO ALBB-022859 [0,2,0,0,0,0|2,0,0]=4 74 B8R0.18 CNC(C(=O)O)C(C)C ALBB-021453 [0,2,0,0,0,0|2,0,0]=4 75 B6R1.2 NC1CCNC1 ALBB-005927 [1,0,0,1,0,0|1,0,1]=4 76 B6R1.2 NC1CCNC1 ALBB-005927 [1,0,0,1,0,0|1,0,1]=4 77 B6R1.11 N=C(N)C1CC1 ALBB-013219 [1,0,0,1,0,0|2,0,0]=4 78 B6R1.11 NC(=S)C1CC1 ALBB-014820 [1,0,0,1,0,0|1,1,0]=4 79 B8R1.3 CC1=NNC(=O)CC1 ALBB-011783 [0,0,0,1,0,1|2,0,0]=4 80 B8R1.3 CC1=NNC(=O)CC1 ALBB-011783 [0,0,0,1,0,1|2,0,0]=4 81 B8R1.3 CN1CCC(N)CC1 ALBB-000072 [0,0,0,1,0,1|1,0,1]=4 82 B8R1.51 CC1(C)CCC(=O)N1 ALBB-005298 [0,0,0,1,0,1|1,0,0]=3 83 B8R1.1 CNC1CCN(C)C1 ALBB-022352 [0,1,0,1,0,0|1,0,1]=4 84 B8R1.1 O=C1CC(CO)CN1 ALBB-010167 [0,1,0,1,0,0|1,0,0]=3 85 B8R0.28 CN(C)CCCC(=O)O ALBB-006206 [0,0,0,0,0,2|1,0,0]=3