0 B8R0.7 CCCCCSC(=N)N ALBB-031730 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.7 CCCCNCC(=O)O ALBB-034572 [0,0,0,0,0,0|1,0,1]=2 2 B8R0.7 COCCOCC(=O)O ALBB-025890 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.7 NC(=O)CCCCCO ALBB-031677 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.7 NCCCCCC(=O)O ALBB-022460 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.4 CC(=O)CCCCCl ALBB-025821 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.4 CC(=O)NCCCCl ALBB-032280 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.4 CC(=O)NCCCO ALBB-012330 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.4 CCCOCC(=O)O ALBB-014631 [1,0,0,0,0,0|1,0,1]=3 9 B7R0.4 CCCSCC(=O)O ALBB-004309 [1,0,0,0,0,0|1,0,1]=3 10 B7R0.4 CCOCCC(=O)Cl ALBB-028804 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.4 CCOCCC(=O)O ALBB-022360 [1,0,0,0,0,0|1,0,1]=3 12 B7R0.4 CNCCCC(=O)O ALBB-026447 [1,0,0,0,0,0|1,0,1]=3 13 B7R0.4 CNCCCC(=O)O ALBB-026447 [1,0,0,0,0,0|1,0,1]=3 14 B9R0.2 NCCCCCCC(=O)O ALBB-028464 [0,1,0,0,0,0|0,0,2]=3 15 B9R0.4 CCCCC(N)CC(=O)O ALBB-007474 [0,1,0,0,0,0|0,0,2]=3 16 B9R0.46 CCCCCCC(=O)NN ALBB-001048 [0,1,0,0,0,0|1,0,2]=4 17 B9R1.2 CCC1=CC(O)=CC=C1 ALBB-026446 [0,0,0,1,0,0|1,0,2]=4 18 B9R1.6 NC(=O)C1CCCCN1 ALBB-024661 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.6 O=C(O)C1CCNCC1 ALBB-035134 [0,0,0,1,0,0|1,0,2]=4 20 B9R1.6 O=C(O)C1CCSCN1 ALBB-027246 [0,0,0,1,0,0|2,0,1]=4 21 B9R1.6 O=C(O)C1COCCN1 ALBB-034101 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.6 O=C(O)C1SCCCS1 ALBB-026580 [0,0,0,1,0,0|2,0,1]=4 23 B9R1.13 O=C(Cl)CC1CCCC1 ALBB-022363 [0,0,0,1,0,0|1,0,2]=4 24 B9R1.13 O=C(O)CN1CCCC1 ALBB-000108 [0,0,0,1,0,0|1,0,1]=3 25 B9R1.13 O=C(O)CN1CCCC1 ALBB-000108 [0,0,0,1,0,0|1,0,1]=3 26 B9R1.41 CC1=C(C(=O)O)C=CO1 ALBB-023547 [0,0,0,1,0,0|1,0,2]=4 27 B9R1.41 CC1=C(C(=O)O)C=NN1 ALBB-005391 [0,0,0,1,0,0|2,0,1]=4 28 B9R1.41 CC1=C(C(=O)O)C=NO1 ALBB-005390 [0,0,0,1,0,0|2,0,1]=4 29 B9R1.41 CN1C=CC=C1C(=O)O ALBB-019244 [0,0,0,1,0,0|1,0,2]=4 30 B9R1.41 CN1C=NC=C1C(=O)O ALBB-014972 [0,0,0,1,0,0|2,0,1]=4 31 B9R1.41 CN1CCCC1C(=O)O ALBB-016470 [0,0,0,1,0,0|1,0,2]=4 32 B9R1.41 CN1N=CC=C1C(=O)O ALBB-000283 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.85 O=C(O)CSCC1CC1 ALBB-004308 [0,0,0,1,0,0|1,0,1]=3 34 B6R0.4 CCNCC(=O)O ALBB-034584 [2,0,0,0,0,0|1,0,0]=3 35 B6R0.4 CCSCC(=O)O ALBB-004310 [2,0,0,0,0,0|1,0,0]=3 36 B8R0.8 CCCCC(C)C(=O)O ALBB-031667 [1,1,0,0,0,0|0,0,1]=3 37 B8R0.8 CCCNC(=O)C(=O)O ALBB-009510 [1,1,0,0,0,0|1,0,0]=3 38 B8R0.8 CCCOC(C)C(=O)O ALBB-014630 [1,1,0,0,0,0|1,0,1]=4 39 B8R0.8 NCCCC(N)C(=O)O ALBB-005910 [1,1,0,0,0,0|1,0,1]=4 40 B8R0.9 CCC(N)CCC(=O)O ALBB-018090 [1,1,0,0,0,0|0,0,1]=3 41 B8R0.9 CCS(=O)CCC(=O)O ALBB-004314 [1,1,0,0,0,0|1,0,1]=4 42 B8R0.28 CN(C)CCCC(=O)O ALBB-006206 [1,1,0,0,0,0|1,0,1]=4 43 B8R1.2 ON=C1CCCCC1 ALBB-017760 [1,0,0,1,0,0|1,0,1]=4 44 B8R1.8 NCCC1=CC=CO1 ALBB-005426 [1,0,0,1,0,0|1,0,1]=4 45 B8R1.8 NCCC1=CC=CO1 ALBB-005426 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.11 CCC1CCCC1=O ALBB-014713 [1,0,0,1,0,0|0,0,2]=4 47 B8R1.7 O=C(O)C1CCOC1 ALBB-028032 [1,0,0,1,0,0|1,0,1]=4 48 B10R1.31 CCC1=CC(C(=O)O)=CS1 ALBB-000922 [0,1,0,1,0,0|1,0,1]=4 49 B10R1.31 CCC1=CC=C(C(=O)O)S1 ALBB-000936 [0,1,0,1,0,0|0,0,2]=4 50 B10R1.31 CCN1C=C(C(=O)O)C=N1 ALBB-000148 [0,1,0,1,0,0|2,0,0]=4 51 B10R1.31 CCN1C=CC(C(=O)O)=N1 ALBB-000974 [0,1,0,1,0,0|1,0,1]=4 52 B10R1.16 CCNCC1=CC=C(C)O1 ALBB-015267 [0,1,0,1,0,0|1,0,1]=4 53 B10R1.18 O=C(O)CC1CCNCC1 ALBB-008873 [0,1,0,1,0,0|0,0,2]=4 54 B10R1.18 O=C(O)CN1CCCCC1 ALBB-000109 [0,1,0,1,0,0|0,0,2]=4 55 B10R1.18 O=C(O)CN1CCCCC1 ALBB-000109 [0,1,0,1,0,0|0,0,2]=4 56 B10R1.18 O=C(O)CN1CCOCC1 ALBB-000115 [0,1,0,1,0,0|1,0,1]=4 57 B10R1.18 O=C(O)CN1CCOCC1 ALBB-000115 [0,1,0,1,0,0|1,0,1]=4 58 B10R1.39 CCN1N=CC=C1C(=O)O ALBB-003737 [0,1,0,1,0,0|1,0,1]=4 59 B10R1.61 CN1CCCCC1C(=O)O ALBB-027379 [0,1,0,1,0,0|0,0,2]=4 60 B10R1.15 COC(=O)C1CCCCN1 ALBB-015054 [0,1,0,1,0,0|1,0,1]=4 61 B10R1.23 CC(C(=O)O)N1CCCC1 ALBB-012004 [0,1,0,1,0,0|1,0,1]=4 62 B10R1.23 CC(C(=O)O)N1CCCC1 ALBB-012004 [0,1,0,1,0,0|1,0,1]=4 63 B10R1.23 O=C(O)C(=O)N1CCCC1 ALBB-014639 [0,1,0,1,0,0|1,0,0]=3 64 B10R1.113 CN1CCC=C(C(=O)O)C1 ALBB-031706 [0,1,0,1,0,0|1,0,0]=3 65 B10R1.363 NC1(C(=O)O)CCCCC1 ALBB-035214 [0,1,0,1,0,0|0,0,2]=4