0 B5R0.3 CC(CN)CO ALBB-018185 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.3 CNC(C)CO ALBB-014691 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.3 COC(C)C#N ALBB-022339 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.3 COC(C)CN ALBB-009407 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.1 CCC(=N)N ALBB-033342 [1,0,0,0,0,0|2,0,1]=4 5 B4R0.2 CCCNN ALBB-029755 [1,0,0,0,0,0|2,0,0]=3 6 B4R0.2 CNCCCl ALBB-023508 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.1 CCCC(O)CN ALBB-031019 [0,1,0,0,0,0|2,0,1]=4 8 B6R0.1 CCNC(C)CO ALBB-004074 [0,1,0,0,0,0|0,0,2]=3 9 B6R0.1 CCOC(C)CN ALBB-019159 [0,1,0,0,0,0|1,0,1]=3 10 B6R0.1 CCOC(C)CN ALBB-019159 [0,1,0,0,0,0|1,0,1]=3 11 B6R0.1 CNC(C)CCO ALBB-004088 [0,1,0,0,0,0|2,0,0]=3 12 B6R0.1 CNCC(C)CO ALBB-033765 [0,1,0,0,0,0|0,0,2]=3 13 B6R0.1 CNCC(C)OC ALBB-009408 [0,1,0,0,0,0|2,0,0]=3 14 B6R0.1 COC(C)CCN ALBB-022248 [0,1,0,0,0,0|2,0,0]=3 15 B6R0.1 COCC(C)C#N ALBB-014785 [0,1,0,0,0,0|1,0,1]=3 16 B6R0.1 COCC(O)CN ALBB-012236 [0,1,0,0,0,0|2,0,1]=4 17 B6R0.3 CC(C#N)N(C)C ALBB-018615 [0,1,0,0,0,0|2,0,1]=4 18 B6R0.3 CC(C)C(O)CN ALBB-027973 [0,1,0,0,0,0|2,0,1]=4 19 B6R0.3 CC(CN)N(C)C ALBB-000070 [0,1,0,0,0,0|2,0,1]=4 20 B6R0.3 CCC(Br)C(N)=O ALBB-016211 [0,1,0,0,0,0|1,0,0]=2 21 B6R0.3 COC(C)C(=O)O ALBB-019163 [0,1,0,0,0,0|1,0,0]=2 22 B6R0.3 NC(CCl)C(=O)O ALBB-018637 [0,1,0,0,0,0|2,0,0]=3 23 B6R0.3 O=C(O)C(O)CCl ALBB-025599 [0,1,0,0,0,0|2,0,0]=3 24 B6R0.8 C#CC(C)(O)CC ALBB-031801 [0,1,0,0,0,0|1,0,1]=3 25 B6R0.8 CC(C)(CN)CO ALBB-010190 [0,1,0,0,0,0|1,0,2]=4 26 B6R0.8 CCC(C)(N)CC ALBB-027112 [0,1,0,0,0,0|1,0,1]=3 27 B6R0.8 CCC(C)(O)C#N ALBB-032357 [0,1,0,0,0,0|1,0,1]=3 28 B6R0.8 CCC(C)(O)CN ALBB-032351 [0,1,0,0,0,0|1,0,1]=3 29 B6R0.8 COC(C)(C)CN ALBB-009356 [0,1,0,0,0,0|2,0,1]=4 30 B6R0.8 COC(C)(C)CN ALBB-009356 [0,1,0,0,0,0|2,0,1]=4 31 B6R0.9 CCC(C#N)NC ALBB-017773 [0,1,0,0,0,0|1,0,1]=3 32 B6R1.2 NC1CCOC1 ALBB-010786 [0,0,0,1,0,0|1,0,2]=4 33 B6R1.2 NC1CCOC1 ALBB-010786 [0,0,0,1,0,0|1,0,2]=4 34 B6R1.7 CC1(CN)CC1 ALBB-022296 [0,0,0,1,0,0|1,0,1]=3 35 B6R1.7 CCC1(N)CC1 ALBB-026941 [0,0,0,1,0,0|2,0,1]=4 36 B5R0.1 CC(O)CNN ALBB-030485 [1,1,0,0,0,0|1,0,1]=4 37 B5R0.1 CS(=O)CCN ALBB-011537 [1,1,0,0,0,0|1,0,0]=3 38 B5R0.1 NC(=O)CCO ALBB-027682 [1,1,0,0,0,0|1,0,1]=4 39 B5R0.4 CC(C)(O)CBr ALBB-032498 [1,1,0,0,0,0|1,0,1]=4 40 B5R0.5 CC(O)C(=N)N ALBB-026571 [1,1,0,0,0,0|2,0,0]=4 41 B5R0.2 COCCNN ALBB-026577 [1,1,0,0,0,0|2,0,0]=4 42 B5R0.2 COCCNN ALBB-026577 [1,1,0,0,0,0|2,0,0]=4 43 B5R0.2 N#CCCCN ALBB-027963 [1,1,0,0,0,0|1,0,1]=4 44 B5R0.2 N#CCCCO ALBB-032447 [1,1,0,0,0,0|1,0,1]=4 45 B5R0.2 NNCCCO ALBB-027247 [1,1,0,0,0,0|2,0,0]=4 46 B7R0.2 CC(CO)CN(C)C ALBB-004090 [0,2,0,0,0,0|0,0,2]=4 47 B7R0.2 CCN(C)CC(=O)O ALBB-004039 [0,2,0,0,0,0|1,0,0]=3 48 B7R0.2 CNC(C)CC(=O)O ALBB-012389 [0,2,0,0,0,0|1,0,0]=3 49 B7R0.2 C\C(C=O)=C\N(C)C ALBB-017839 [0,2,0,0,0,0|0,0,2]=4 50 B7R0.3 CCCOC(C)CN ALBB-012971 [0,2,0,0,0,0|1,0,1]=4 51 B7R0.5 CC(CCN)N(C)C ALBB-004082 [0,2,0,0,0,0|2,0,0]=4 52 B7R0.5 CC(CCO)N(C)C ALBB-004104 [0,2,0,0,0,0|2,0,0]=4 53 B7R0.5 CC(NC=O)C(=O)O ALBB-004064 [0,2,0,0,0,0|1,0,1]=4 54 B7R0.5 CNCC(C)C(=O)O ALBB-016160 [0,2,0,0,0,0|0,0,0]=2 55 B7R0.7 CCNC(C)CCO ALBB-004115 [0,2,0,0,0,0|0,0,2]=4 56 B7R0.10 CCC(N)C(=O)NO ALBB-022805 [0,2,0,0,0,0|1,0,0]=3 57 B7R0.10 CNC(=O)C(C)NC ALBB-005651 [0,2,0,0,0,0|1,0,0]=3 58 B7R0.10 CNC(C)C(=O)OC ALBB-018696 [0,2,0,0,0,0|1,0,0]=3 59 B7R0.10 COC(C)\C(N)=N\O ALBB-022340 [0,2,0,0,0,0|1,0,1]=4 60 B7R0.11 CCCC(C)(O)C#N ALBB-032346 [0,2,0,0,0,0|1,0,1]=4 61 B7R0.11 CNCC(C)(C)CO ALBB-010089 [0,2,0,0,0,0|0,0,2]=4 62 B7R0.11 COC(C)(C)CCN ALBB-016800 [0,2,0,0,0,0|2,0,0]=4 63 B7R0.14 CCN(C)S(=O)(=O)Cl ALBB-013448 [0,2,0,0,0,0|2,0,0]=4 64 B7R0.15 CCC(CN)C(=O)O ALBB-030607 [0,2,0,0,0,0|0,0,0]=2 65 B7R0.15 CCC(CN)N(C)C ALBB-004300 [0,2,0,0,0,0|1,0,1]=4 66 B7R0.15 CCC(CO)N(C)C ALBB-004303 [0,2,0,0,0,0|0,0,2]=4 67 B7R0.15 CCC(NC)C(=O)O ALBB-018675 [0,2,0,0,0,0|0,0,0]=2 68 B7R0.15 CCC(NC)C(N)=O ALBB-016817 [0,2,0,0,0,0|0,0,0]=2 69 B7R0.15 CCC(OC)C(=O)O ALBB-019164 [0,2,0,0,0,0|0,0,0]=2 70 B7R0.16 CC(C(=O)O)N(C)C ALBB-000114 [0,2,0,0,0,0|1,0,0]=3 71 B7R0.18 CCC(O)(C#N)CC ALBB-032359 [0,2,0,0,0,0|1,0,1]=4 72 B7R0.18 CCC(O)(CC)CN ALBB-032356 [0,2,0,0,0,0|1,0,1]=4 73 B5R1.2 C=C1CCC1 ALBB-035089 [1,0,0,1,0,0|0,0,1]=3 74 B5R1.3 FCC1CO1 ALBB-023708 [1,0,0,1,0,0|1,0,1]=4 75 B5R1.5 CC1(N)CC1 ALBB-012825 [1,0,0,1,0,0|1,0,0]=3 76 B7R1.1 CCC1CCCN1 ALBB-014922 [0,1,0,1,0,0|1,0,1]=4 77 B7R1.1 CCC1CCCN1 ALBB-014922 [0,1,0,1,0,0|1,0,1]=4 78 B7R1.1 OCC1CCCN1 ALBB-021094 [0,1,0,1,0,0|0,0,2]=4 79 B7R1.1 OCC1CCNC1 ALBB-005836 [0,1,0,1,0,0|0,0,2]=4 80 B7R1.2 CC1CNC(=O)O1 ALBB-022254 [0,1,0,1,0,0|1,0,0]=3 81 B7R1.2 CC1CNC(=S)N1 ALBB-034787 [0,1,0,1,0,0|1,1,0]=4 82 B7R1.3 CC1=CCNCC1 ALBB-018638 [0,1,0,1,0,0|1,0,1]=4 83 B7R1.3 CC1CNCCO1 ALBB-018624 [0,1,0,1,0,0|1,0,1]=4 84 B7R1.4 NC1CCCC1=O ALBB-030356 [0,1,0,1,0,0|1,0,0]=3 85 B7R1.6 CNCC1CCC1 ALBB-016146 [0,1,0,1,0,0|1,0,1]=4 86 B7R1.6 N#CCC1CCC1 ALBB-023585 [0,1,0,1,0,0|1,0,1]=4 87 B7R1.6 NNCC1CCC1 ALBB-028806 [0,1,0,1,0,0|1,0,1]=4 88 B7R1.10 NCC1CC(O)C1 ALBB-029106 [0,1,0,1,0,0|1,0,1]=4 89 B7R1.21 CNCC1(C)CC1 ALBB-032777 [0,1,0,1,0,0|1,0,1]=4 90 B7R1.18 NC(=O)C1CCC1 ALBB-016496 [0,1,0,1,0,0|0,0,0]=2 91 B7R1.19 NC(=O)C1(N)CC1 ALBB-022636 [0,1,0,1,0,0|1,0,0]=3 92 B7R1.14 CC1(C)CCCN1 ALBB-000251 [0,1,0,1,0,0|2,0,0]=4 93 B7R1.14 CC1(C)CCCN1 ALBB-000251 [0,1,0,1,0,0|2,0,0]=4 94 B7R1.14 CC1(C)CCNC1 ALBB-013349 [0,1,0,1,0,0|1,0,1]=4 95 B7R1.14 CC1(C)CCNC1 ALBB-013349 [0,1,0,1,0,0|1,0,1]=4 96 B7R1.29 N#CC1(CN)CC1 ALBB-028766 [0,1,0,1,0,0|1,0,1]=4 97 B7R1.29 N#CC1(CO)CC1 ALBB-010087 [0,1,0,1,0,0|1,0,1]=4 98 B7R1.29 NCC1(CO)CC1 ALBB-010729 [0,1,0,1,0,0|0,0,2]=4