0 B7R0.6 C=C(C)COC(C)=O ALBB-015064 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.6 CC(=O)CCN(C)C ALBB-011785 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.6 CC(=O)NCC(=O)O ALBB-019763 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.6 CC(=O)OCC(=O)Cl ALBB-013561 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.6 CN(C)CCC(=O)O ALBB-004693 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.6 CN(C)CCC(=O)O ALBB-004693 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.6 N=C(N)SCC(=O)O ALBB-009286 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.6 NC(=O)NNC(N)=O ALBB-013477 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.4 CCNCC(=O)O ALBB-034584 [1,0,0,0,0,0|1,0,1]=3 9 B6R0.4 CCSCC(=O)O ALBB-004310 [1,0,0,0,0,0|1,0,1]=3 10 B6R0.4 CSCCC(=N)N ALBB-016455 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.4 C\C=N\NC(N)=O ALBB-032782 [1,0,0,0,0,0|3,0,0]=4 12 B8R0.9 CC(=O)NNC(=O)CCl ALBB-018192 [0,1,0,0,0,0|3,0,0]=4 13 B8R0.9 CCC(=O)COC(C)=O ALBB-031528 [0,1,0,0,0,0|2,0,0]=3 14 B8R0.9 CCC(N)CCC(=O)O ALBB-018090 [0,1,0,0,0,0|1,0,1]=3 15 B8R0.9 CCS(=O)CCC(=O)O ALBB-004314 [0,1,0,0,0,0|1,0,0]=2 16 B8R0.9 CNC(=O)CCC(=O)O ALBB-033143 [0,1,0,0,0,0|0,0,0]=1 17 B8R0.9 COC(=O)CCC(=O)Cl ALBB-006318 [0,1,0,0,0,0|1,0,0]=2 18 B8R0.9 NCC(=O)CCC(=O)O ALBB-023627 [0,1,0,0,0,0|0,0,0]=1 19 B8R0.9 NNC(=O)CCC(=O)O ALBB-035096 [0,1,0,0,0,0|1,0,0]=2 20 B8R0.9 NNC(=O)CCC(N)=O ALBB-003832 [0,1,0,0,0,0|2,0,0]=3 21 B8R0.23 C=C(NC(C)=O)C(=O)O ALBB-025854 [0,1,0,0,0,0|1,0,1]=3 22 B8R0.23 CC(=O)N(C)CC(=O)O ALBB-033270 [0,1,0,0,0,0|1,0,0]=2 23 B8R0.23 CC(C)C(N)CC(=O)O ALBB-007459 [0,1,0,0,0,0|1,0,1]=3 24 B8R0.23 CN(CC(=O)O)C(=S)S ALBB-024033 [0,1,0,0,0,0|2,1,0]=4 25 B8R0.23 CN(CC(=O)O)C(N)=O ALBB-018709 [0,1,0,0,0,0|2,0,0]=3 26 B8R0.23 OC(=O)CN(C(=O)N)N ALBB-035376 [0,1,0,0,0,0|2,0,0]=3 27 B8R0.29 CC(C)(N)CCC(=O)O ALBB-016157 [0,1,0,0,0,0|1,0,1]=3 28 B8R0.29 CC(C)(N)CCC(=O)O ALBB-016157 [0,1,0,0,0,0|1,0,1]=3 29 B8R0.29 CS(=O)(=O)NCC(=O)O ALBB-009537 [0,1,0,0,0,0|2,0,0]=3 30 B8R0.29 O=C(O)CCC(F)(F)F ALBB-012055 [0,1,0,0,0,0|2,0,1]=4 31 B8R1.3 CC1=NNC(=O)CC1 ALBB-011783 [0,0,0,1,0,0|2,0,0]=3 32 B8R1.3 CC1=NNC(=O)CC1 ALBB-011783 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.51 CC1(C)CCC(=O)N1 ALBB-005298 [0,0,0,1,0,0|2,0,1]=4 34 B6R0.2 CC(N)CC(=O)O ALBB-014344 [0,0,0,0,1,0|1,0,1]=3 35 B8R0.28 CC(=O)NCCC(=O)O ALBB-033160 [0,0,0,0,0,1|0,0,0]=1 36 B8R0.28 CN(C)CCCC(=O)O ALBB-006206 [0,0,0,0,0,1|2,0,0]=3 37 B8R0.28 NC(=O)N\N=C\C(=O)O ALBB-035718 [0,0,0,0,0,1|2,0,1]=4 38 B5R0.1 CCCC(=N)N ALBB-033963 [2,0,0,0,0,0|2,0,0]=4 39 B5R0.1 CNCC(C)=O ALBB-016173 [2,0,0,0,0,0|1,0,1]=4 40 B5R0.2 O=CNNC=O ALBB-017779 [2,0,0,0,0,0|2,0,0]=4 41 B7R0.2 NCC(O)CC(=O)O ALBB-023689 [1,1,0,0,0,0|1,0,1]=4 42 B7R0.3 CCCCC(=O)NN ALBB-002479 [1,1,0,0,0,0|1,0,1]=4 43 B7R0.3 CNC(=O)CCCCl ALBB-032165 [1,1,0,0,0,0|1,0,1]=4 44 B7R0.3 CNC(=O)CCCN ALBB-013585 [1,1,0,0,0,0|1,0,1]=4 45 B7R0.3 CNCCC(=O)NC ALBB-004145 [1,1,0,0,0,0|2,0,0]=4 46 B7R0.3 COCCC(=O)NN ALBB-034323 [1,1,0,0,0,0|2,0,0]=4 47 B7R0.3 COCC\C(N)=N\O ALBB-014805 [1,1,0,0,0,0|2,0,0]=4 48 B7R0.3 NNC(=O)CCCO ALBB-010248 [1,1,0,0,0,0|1,0,1]=4 49 B7R0.4 C=CCSCC(=O)O ALBB-000400 [1,1,0,0,0,0|0,0,1]=3 50 B7R0.4 CC(=O)CCCCCl ALBB-025821 [1,1,0,0,0,0|1,0,1]=4 51 B7R0.4 CC(=O)NCCCCl ALBB-032280 [1,1,0,0,0,0|1,0,1]=4 52 B7R0.4 CC(=O)NCCCO ALBB-012330 [1,1,0,0,0,0|0,0,1]=3 53 B7R0.4 CCCOCC(=O)O ALBB-014631 [1,1,0,0,0,0|0,0,1]=3 54 B7R0.4 CCCSCC(=O)O ALBB-004309 [1,1,0,0,0,0|0,0,1]=3 55 B7R0.4 CCOCCC(=O)Cl ALBB-028804 [1,1,0,0,0,0|1,0,1]=4 56 B7R0.4 CCOCCC(=O)O ALBB-022360 [1,1,0,0,0,0|0,0,1]=3 57 B7R0.4 CNCCCC(=O)O ALBB-026447 [1,1,0,0,0,0|0,0,1]=3 58 B7R0.4 CNCCCC(=O)O ALBB-026447 [1,1,0,0,0,0|0,0,1]=3 59 B7R0.4 NC(=O)CSCCO ALBB-011953 [1,1,0,0,0,0|1,0,1]=4 60 B7R0.5 CC(=O)N(C)CCO ALBB-013579 [1,1,0,0,0,0|1,0,1]=4 61 B7R0.5 CCSC(C)C(=O)O ALBB-004307 [1,1,0,0,0,0|1,0,1]=4 62 B7R0.5 CSCC(N)C(=O)O ALBB-033474 [1,1,0,0,0,0|1,0,0]=3 63 B7R0.5 NC(CCO)C(=O)O ALBB-035712 [1,1,0,0,0,0|0,0,2]=4 64 B7R0.5 NCCC(N)C(=O)O ALBB-025018 [1,1,0,0,0,0|1,0,1]=4 65 B9R0.1 CCC(=O)NCCC(=O)O ALBB-033268 [0,1,0,0,0,1|0,0,0]=2 66 B9R0.1 CNC(=O)CCCC(=O)O ALBB-033202 [0,1,0,0,0,1|0,0,0]=2 67 B9R0.1 CNC(=O)COCC(=O)O ALBB-033306 [0,1,0,0,0,1|0,0,0]=2 68 B9R0.53 CC(=O)NC(C)CC(=O)O ALBB-022398 [0,1,0,0,0,1|0,0,0]=2 69 B9R0.53 CC(C)CC(N)CC(=O)O ALBB-007476 [0,1,0,0,0,1|1,0,1]=4 70 B9R0.56 CS(=O)(=O)NCCC(=O)O ALBB-012963 [0,1,0,0,0,1|1,0,0]=3 71 B9R0.23 CCC(=O)N(C)CC(=O)O ALBB-033255 [0,2,0,0,0,0|1,0,0]=3 72 B9R0.23 COC(=O)C(C)CN(C)C ALBB-004117 [0,2,0,0,0,0|2,0,0]=4 73 B9R0.23 COC(=O)C(C)CN(C)C ALBB-004117 [0,2,0,0,0,0|2,0,0]=4 74 B9R0.23 COC(=O)C(N)CC(C)C ALBB-031648 [0,2,0,0,0,0|1,0,1]=4 75 B9R0.24 NNC(=O)CCC(=O)NN ALBB-004001 [0,2,0,0,0,0|2,0,0]=4 76 B9R0.42 CC(NC(=O)CN)C(=O)O ALBB-031714 [0,2,0,0,0,0|1,0,0]=3 77 B9R0.43 CCN(CC)CCC(=O)O ALBB-027399 [0,2,0,0,0,0|2,0,0]=4 78 B9R0.48 CCNC(=O)CCC(=O)O ALBB-033313 [0,2,0,0,0,0|0,0,0]=2 79 B9R0.48 CCOC(=S)SCC(=O)O ALBB-026263 [0,2,0,0,0,0|1,1,0]=4 80 B9R0.48 C\C=C\C(=O)NCC(=O)O ALBB-034135 [0,2,0,0,0,0|1,0,0]=3 81 B9R0.10 CN(CC(=O)O)S(C)(=O)=O ALBB-033264 [0,2,0,0,0,0|2,0,0]=4 82 B9R0.39 CC(=O)NC(C#N)C(N)=O ALBB-012869 [0,2,0,0,0,0|2,0,0]=4 83 B9R0.39 CCC(NC(C)=O)C(=O)O ALBB-023463 [0,2,0,0,0,0|1,0,0]=3 84 B9R0.57 CC(NS(C)(=O)=O)C(=O)O ALBB-012968 [0,2,0,0,0,0|2,0,0]=4 85 B9R0.57 NC(CS(=O)(=O)O)C(=O)O ALBB-014129 [0,2,0,0,0,0|2,0,0]=4 86 B7R1.2 O=C1C=C(O)CC1 ALBB-008899 [1,0,0,1,0,0|0,0,1]=3 87 B7R1.3 O=C1CCOCC1 ALBB-008898 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.3 O=C1CCSCC1 ALBB-006274 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.18 O=C(Cl)C1CCC1 ALBB-032816 [1,0,0,1,0,0|1,0,1]=4 90 B7R1.20 O=C(O)CC1CC1 ALBB-022364 [1,0,0,1,0,0|0,0,1]=3 91 B9R1.35 O=C(O)C1CC(O)CN1 ALBB-006175 [0,0,0,1,0,1|0,0,2]=4 92 B9R1.35 O=C1CC(C(=O)O)CN1 ALBB-018087 [0,0,0,1,0,1|0,0,0]=2 93 B9R1.35 O=C1CCC(C(=O)O)N1 ALBB-006003 [0,0,0,1,0,1|1,0,0]=3 94 B9R1.85 O=C(O)CSCC1CC1 ALBB-004308 [0,0,0,1,0,1|1,0,1]=4 95 B5R0.5 C=C(C)C(C)=O ALBB-035703 [0,0,0,0,2,0|2,0,0]=4 96 B9R0.55 CC(=O)NCCCC(=O)O ALBB-036270 [0,0,0,0,0,2|0,0,0]=2