0 B5R0.5 C=C(C)C(C)=O ALBB-035703 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.5 CC(C)C(=N)N ALBB-033137 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.5 CC(C)C(N)=S ALBB-031241 [0,0,0,0,0,0|2,1,0]=3 3 B5R0.5 CC(Cl)C(N)=O ALBB-013454 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.5 CN(C)C(=N)N ALBB-028041 [0,0,0,0,0,0|4,0,0]=4 5 B4R0.1 CC(C)NN ALBB-031747 [1,0,0,0,0,0|3,0,0]=4 6 B4R0.1 CC(O)C#N ALBB-027949 [1,0,0,0,0,0|1,0,1]=3 7 B4R0.1 CCS(=O)[O-] ALBB-026504 [1,0,0,0,0,0|1,0,1]=3 8 B4R0.1 COC(=S)[S-] ALBB-016495 [1,0,0,0,0,0|1,2,0]=4 9 B4R0.1 COC(C)=N ALBB-033133 [1,0,0,0,0,0|3,0,0]=4 10 B4R0.1 NC(=O)CO ALBB-031510 [1,0,0,0,0,0|1,0,0]=2 11 B4R0.1 NC(=O)NO ALBB-028465 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.1 O=[N+]([O-])CBr ALBB-025772 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.3 CC(C)C(=O)NN ALBB-002744 [0,1,0,0,0,0|2,0,0]=3 14 B6R0.3 CC(C)C(O)C#N ALBB-022333 [0,1,0,0,0,0|2,0,1]=4 15 B6R0.3 CC(C)\C(N)=N\O ALBB-014803 [0,1,0,0,0,0|2,0,0]=3 16 B6R0.3 CC(CN)C(=O)O ALBB-026586 [0,1,0,0,0,0|1,0,0]=2 17 B6R0.3 CC(CO)N(C)C ALBB-033152 [0,1,0,0,0,0|3,0,0]=4 18 B6R0.3 CC(CO)[N+](=O)[O-] ALBB-017751 [0,1,0,0,0,0|1,0,1]=3 19 B6R0.3 CCC(N)C(=O)O ALBB-016221 [0,1,0,0,0,0|1,0,0]=2 20 B6R0.3 CN(C)C(=O)CCl ALBB-025881 [0,1,0,0,0,0|3,0,0]=4 21 B6R0.3 CNC(=O)C(C)Br ALBB-012358 [0,1,0,0,0,0|2,0,0]=3 22 B6R0.3 CNC(=O)C(C)Cl ALBB-009548 [0,1,0,0,0,0|2,0,0]=3 23 B6R0.3 CNC(C)C(=O)O ALBB-021461 [0,1,0,0,0,0|1,0,0]=2 24 B6R0.3 COC(=O)C(C)N ALBB-012913 [0,1,0,0,0,0|1,0,0]=2 25 B6R0.3 COC(=O)N(C)N ALBB-013487 [0,1,0,0,0,0|2,0,0]=3 26 B6R0.3 CSC(C)C(=O)O ALBB-005886 [0,1,0,0,0,0|0,1,0]=2 27 B6R0.3 C\C=C(/Br)C(=O)O ALBB-031546 [0,1,0,0,0,0|1,0,1]=3 28 B6R0.3 NCC(O)C(=O)O ALBB-031572 [0,1,0,0,0,0|0,0,0]=1 29 B6R0.7 CC(C)(C)C(=N)N ALBB-025492 [0,1,0,0,0,0|3,0,0]=4 30 B6R0.7 NC(=O)C(F)(F)Cl ALBB-025910 [0,1,0,0,0,0|3,0,0]=4 31 B6R1.11 N=C(N)C1CC1 ALBB-013219 [0,0,0,1,0,0|3,0,0]=4 32 B6R1.11 NC(=S)C1CC1 ALBB-014820 [0,0,0,1,0,0|2,1,0]=4 33 B6R0.2 CC(N)CC(=O)O ALBB-014344 [0,0,0,0,0,1|1,0,0]=2 34 B3R0.1 CN=C=O ALBB-007556 [2,0,0,0,0,0|1,0,1]=4 35 B3R0.1 N\C=N/O ALBB-016431 [2,0,0,0,0,0|2,0,0]=4 36 B5R0.1 CC(C)N=C=O ALBB-003059 [1,1,0,0,0,0|1,0,1]=4 37 B5R0.1 CCCC(=N)N ALBB-033963 [1,1,0,0,0,0|2,0,0]=4 38 B5R0.1 CCOC(C)=N ALBB-014832 [1,1,0,0,0,0|2,0,0]=4 39 B5R0.1 CNCC(C)=O ALBB-016173 [1,1,0,0,0,0|1,0,0]=3 40 B5R0.1 CNCC(C)O ALBB-012392 [1,1,0,0,0,0|1,0,1]=4 41 B5R0.1 N=C(N)CCCl ALBB-033775 [1,1,0,0,0,0|2,0,0]=4 42 B5R0.3 C#CC(=O)OC ALBB-008926 [1,1,0,0,0,0|0,0,2]=4 43 B5R0.3 CCC(=N)OC ALBB-033213 [1,1,0,0,0,0|1,0,0]=3 44 B5R0.3 CCC(=O)NN ALBB-002743 [1,1,0,0,0,0|1,0,0]=3 45 B5R0.3 CCC(O)C#N ALBB-027948 [1,1,0,0,0,0|1,0,1]=4 46 B5R0.3 CCC(O)CN ALBB-026517 [1,1,0,0,0,0|1,0,1]=4 47 B5R0.3 CC\C(N)=N\O ALBB-012745 [1,1,0,0,0,0|1,0,0]=3 48 B5R0.3 CC\C(N)=N\O ALBB-012745 [1,1,0,0,0,0|1,0,0]=3 49 B5R0.3 CNC(=O)CCl ALBB-009489 [1,1,0,0,0,0|2,0,0]=4 50 B5R0.3 CNC(=O)CN ALBB-026423 [1,1,0,0,0,0|2,0,0]=4 51 B5R0.3 CNC(=O)CN ALBB-026423 [1,1,0,0,0,0|2,0,0]=4 52 B5R0.3 CNC(=O)CO ALBB-026669 [1,1,0,0,0,0|1,0,0]=3 53 B5R0.3 COC(=N)CCl ALBB-033135 [1,1,0,0,0,0|2,0,0]=4 54 B5R0.3 COC(=O)C#N ALBB-036369 [1,1,0,0,0,0|1,0,1]=4 55 B5R0.3 NNC(=O)CO ALBB-016554 [1,1,0,0,0,0|1,0,0]=3 56 B5R0.3 N\C(CCl)=N/O ALBB-022322 [1,1,0,0,0,0|2,0,0]=4 57 B5R0.3 OC(CCl)CBr ALBB-032330 [1,1,0,0,0,0|1,0,1]=4 58 B7R0.2 CC(C)CC(=O)NN ALBB-002480 [0,1,0,0,0,1|2,0,0]=4 59 B7R0.2 CC(C)NC(=O)CCl ALBB-021173 [0,1,0,0,0,1|2,0,0]=4 60 B7R0.2 CC(O)CC(=O)NN ALBB-002757 [0,1,0,0,0,1|1,0,0]=3 61 B7R0.2 COC(=N)CC(C)C ALBB-033293 [0,1,0,0,0,1|2,0,0]=4 62 B7R0.2 NCC(O)CC(=O)O ALBB-023689 [0,1,0,0,0,1|0,0,0]=2 63 B7R0.9 O=C(O)CC(F)(F)F ALBB-012053 [0,1,0,0,0,1|2,0,0]=4 64 B7R0.5 CC(=O)N(C)CCO ALBB-013579 [0,2,0,0,0,0|2,0,0]=4 65 B7R0.5 CCNC(=O)C(=O)O ALBB-018669 [0,2,0,0,0,0|0,0,2]=4 66 B7R0.5 CCNC(=O)C(C)Br ALBB-032028 [0,2,0,0,0,0|2,0,0]=4 67 B7R0.5 CCNC(=O)C(C)Cl ALBB-009554 [0,2,0,0,0,0|2,0,0]=4 68 B7R0.5 CCNC(C)C(N)=O ALBB-011795 [0,2,0,0,0,0|2,0,0]=4 69 B7R0.5 CCSC(C)C(=O)O ALBB-004307 [0,2,0,0,0,0|0,1,0]=3 70 B7R0.5 CN(C)C(=O)CCO ALBB-014310 [0,2,0,0,0,0|2,0,0]=4 71 B7R0.5 CSCC(N)C(=O)O ALBB-033474 [0,2,0,0,0,0|1,0,0]=3 72 B7R0.5 NC(CCO)C(=O)O ALBB-035712 [0,2,0,0,0,0|1,0,0]=3 73 B7R0.5 NCCC(N)C(=O)O ALBB-025018 [0,2,0,0,0,0|1,0,0]=3 74 B7R0.10 CCC(C)C(=O)NN ALBB-016228 [0,2,0,0,0,0|2,0,0]=4 75 B7R0.10 COC(=O)C(N)C#N ALBB-033391 [0,2,0,0,0,0|1,0,1]=4 76 B7R0.10 COC(=O)C(O)CCl ALBB-023713 [0,2,0,0,0,0|0,0,0]=2 77 B7R0.10 COC(=O)\C(C)=C/Br ALBB-035093 [0,2,0,0,0,0|1,0,1]=4 78 B7R0.13 CC(C)(CO)[N+](=O)[O-] ALBB-029029 [0,2,0,0,0,0|1,0,1]=4 79 B7R0.13 COC(C)(C)C(=O)O ALBB-010768 [0,2,0,0,0,0|0,0,0]=2 80 B7R0.14 COC(=O)C(C)(C)N ALBB-016215 [0,2,0,0,0,0|1,0,0]=3 81 B7R1.2 CC1=CC(O)=NO1 ALBB-022606 [0,0,0,1,0,1|1,0,1]=4 82 B7R1.2 O=C1C=C(O)CC1 ALBB-008899 [0,0,0,1,0,1|1,0,1]=4 83 B7R1.20 O=C(O)CC1CC1 ALBB-022364 [0,0,0,1,0,1|1,0,0]=3 84 B7R1.18 O=C(Cl)C1CCC1 ALBB-032816 [0,1,0,1,0,0|2,0,0]=4 85 B7R1.22 C\C(=N/O)C1CC1 ALBB-033726 [0,1,0,1,0,0|2,0,0]=4 86 B7R1.22 NNC(=O)C1CC1 ALBB-002483 [0,1,0,1,0,0|2,0,0]=4 87 B7R1.22 N\C(=N/O)C1CC1 ALBB-016740 [0,1,0,1,0,0|2,0,0]=4 88 B7R0.6 CC(=O)NCC(=O)O ALBB-019763 [0,0,0,0,0,2|0,0,2]=4 89 B7R0.6 CN(C)CCC(=O)O ALBB-004693 [0,0,0,0,0,2|2,0,0]=4 90 B7R0.6 CN(C)CCC(=O)O ALBB-004693 [0,0,0,0,0,2|2,0,0]=4