0 B8R0.9 NCC(=O)CCC(=O)O OR1490 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.4 C#CCCCC(=O)O OR30593 [1,0,0,0,0,0|0,0,2]=3 2 B7R0.4 CCCCCC(=O)Cl OR8839 [1,0,0,0,0,0|1,0,2]=4 3 B7R0.4 CCCCCC(=O)O OR6007 [1,0,0,0,0,0|0,0,2]=3 4 B7R0.4 C\C=C\CCC(=O)O OR60122 [1,0,0,0,0,0|0,0,2]=3 5 B7R0.4 NCCCCC(=O)O OR310635 [1,0,0,0,0,0|1,0,1]=3 6 B7R0.4 O=C(Cl)CCCCBr OR18308 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.4 O=C(O)CCCCBr OR9972 [1,0,0,0,0,0|1,0,1]=3 8 B7R0.4 O=C(O)COCCCl OR301184 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.6 CC(C)CCC(=O)O OR40421 [1,0,0,0,0,0|1,0,1]=3 10 B7R0.6 CC(C)OCC(=O)O OR46564 [1,0,0,0,0,0|2,0,1]=4 11 B9R0.7 CC(=O)N(C)CCC(=O)O OR7817 [0,1,0,0,0,0|2,0,1]=4 12 B9R0.7 NC(=O)NC[C@H](N)C(=O)O OR1200T [0,1,0,0,0,0|3,0,0]=4 13 B9R0.7 O=C(O)CCC(=O)C(=O)O OR4662 [0,1,0,0,0,0|2,0,1]=4 14 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 OR61276 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 OR54386 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 OR30677 [0,0,0,1,0,0|1,0,1]=3 17 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 OR307108 [0,0,0,1,0,0|0,0,0]=1 18 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 OR307107 [0,0,0,1,0,0|0,0,2]=3 19 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 OR30676 [0,0,0,1,0,0|1,0,1]=3 20 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 OR6733 [0,0,0,1,0,0|2,0,1]=4 21 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 OR30769 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 OR8964 [0,0,0,1,0,0|2,0,1]=4 23 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 OR17254 [0,0,0,1,0,0|2,0,1]=4 24 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 OR40650 [0,0,0,1,0,0|2,0,1]=4 25 B9R1.69 NC1CCC(=O)NC1=O OR20048 [0,0,0,1,0,0|2,0,0]=3 26 B9R1.69 O=C1CCC(Br)C(=O)N1 OR41150 [0,0,0,1,0,0|3,0,0]=4 27 B7R0.2 CCC(C)CC(=O)O OR5351 [0,0,0,0,1,0|1,0,2]=4 28 B7R0.2 CCC(N)CC(=O)O OR16680 [0,0,0,0,1,0|0,0,2]=3 29 B7R0.2 CC[C@@H](N)CC(=O)O OR40585 [0,0,0,0,1,0|0,0,2]=3 30 B7R0.2 NCC(O)CC(=O)O OR1057 [0,0,0,0,1,0|2,0,1]=4 31 B6R0.4 C#CCCC(=O)O OR5526 [2,0,0,0,0,0|0,0,2]=4 32 B6R0.4 C=CCC[C@@H](C)O OR304052 [2,0,0,0,0,0|1,0,1]=4 33 B6R0.4 CC(=O)CCCCl OR10086 [2,0,0,0,0,0|2,0,0]=4 34 B6R0.4 CCCCC(C)=O OR10020 [2,0,0,0,0,0|1,0,1]=4 35 B6R0.4 CCOCC(=O)O OR6531 [2,0,0,0,0,0|1,0,1]=4 36 B6R0.4 CNCCC(=O)O OR301194 [2,0,0,0,0,0|1,0,1]=4 37 B6R0.4 NCCCC(=O)O OR01972 [2,0,0,0,0,0|0,0,0]=2 38 B6R0.4 O=C(Cl)CCCCl OR5355 [2,0,0,0,0,0|2,0,0]=4 39 B6R0.4 O=C(O)CCCBr OR4284 [2,0,0,0,0,0|1,0,0]=3 40 B6R0.6 C=CCCCC#N OR2952 [2,0,0,0,0,0|1,0,1]=4 41 B6R0.6 C=CCCCCBr OR7533 [2,0,0,0,0,0|1,0,1]=4 42 B6R0.6 C=CCCCCC OR01828 [2,0,0,0,0,0|1,0,1]=4 43 B6R0.6 C=CCCCCCl OR53170 [2,0,0,0,0,0|1,0,1]=4 44 B6R0.6 C=CCCCCO OR14506 [2,0,0,0,0,0|0,0,1]=3 45 B6R0.6 CCCCCC=O OR6051 [2,0,0,0,0,0|0,0,2]=4 46 B8R0.7 NCCCCCC(=O)O OR46222 [1,1,0,0,0,0|0,0,2]=4 47 B8R0.7 O=C(O)CCCCCBr OR9393 [1,1,0,0,0,0|0,0,2]=4 48 B8R0.7 O=C(O)CCCCCO OR200084 [1,1,0,0,0,0|0,0,2]=4 49 B8R0.28 C=C(C)CCCC(=O)O OR16969 [1,1,0,0,0,0|0,0,0]=2 50 B8R0.28 O=C(Cl)CCCC(=O)Cl OR63039 [1,1,0,0,0,0|2,0,0]=4 51 B8R0.28 O=C(O)COCC(=O)O OR55403 [1,1,0,0,0,0|2,0,0]=4 52 B8R0.28 O=C(O)CSCC(=O)O OR0788 [1,1,0,0,0,0|2,0,0]=4 53 B8R0.23 CC(C)C(N)CC(=O)O OR17575 [1,1,0,0,0,0|1,0,1]=4 54 B8R0.23 CC(C)[C@H](N)CC(=O)O OR17574 [1,1,0,0,0,0|1,0,1]=4 55 B8R0.23 CC(C)[C@H](N)CC(=O)O OR54508 [1,1,0,0,0,0|1,0,1]=4 56 B8R0.29 CC(C)(C)CCC(=O)O OR318007 [1,1,0,0,0,0|1,0,1]=4 57 B8R0.29 O=C(O)CCC(Cl)(Cl)Cl OR0757 [1,1,0,0,0,0|2,0,0]=4 58 B10R0.43 CC(C)(CCC(=O)O)C(=O)O OR2204 [0,2,0,0,0,0|2,0,0]=4 59 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O OR1555 [0,2,0,0,0,0|1,0,1]=4 60 B8R1.1 C=CC1CCC(=O)N1 OR307048 [1,0,0,1,0,0|0,0,0]=2 61 B8R1.1 NCC1CCC(=O)N1 OR953484 [1,0,0,1,0,0|1,0,1]=4 62 B8R1.1 O=C1CC[C@@H](CO)N1 OR350343 [1,0,0,1,0,0|1,0,1]=4 63 B8R1.1 O=C1CC[C@H](CO)N1 OR451180 [1,0,0,1,0,0|1,0,1]=4 64 B8R1.3 NC1CCC(=O)CC1 OR301000 [1,0,0,1,0,0|0,0,2]=4 65 B8R1.3 NC1CCC(=O)CC1 OR51872 [1,0,0,1,0,0|0,0,2]=4 66 B8R1.50 CC1CCC(=O)C1=O OR28640 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.4 NC1=CC(=O)CCC1 OR4645 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.4 O=C1CCCC(=O)C1 OR28703 [1,0,0,1,0,0|2,0,0]=4 69 B8R1.4 O=C1COCC(=O)O1 OR45104 [1,0,0,1,0,0|2,0,0]=4 70 B8R1.4 O=C1CSCC(=O)O1 OR28488 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.7 O=C(O)C1C=CCN1 OR6272 [1,0,0,1,0,0|1,0,0]=3 72 B8R1.7 O=C(O)C1CC=CC1 OR12005 [1,0,0,1,0,0|0,0,2]=4 73 B8R1.7 O=C(O)C1CCCC1 OR18358 [1,0,0,1,0,0|0,0,2]=4 74 B8R1.7 O=C(O)C1CCCN1 OR350110 [1,0,0,1,0,0|1,0,1]=4 75 B8R1.7 O=C(O)C1CCCO1 OR10057 [1,0,0,1,0,0|1,0,1]=4 76 B8R1.7 O=C(O)C1CCOC1 OR16452 [1,0,0,1,0,0|1,0,1]=4 77 B8R1.7 O=C(O)[C@@H]1CCCO1 OR40518 [1,0,0,1,0,0|1,0,1]=4 78 B8R1.7 O=C(O)[C@H]1CCCN1 OR0718 [1,0,0,1,0,0|1,0,1]=4 79 B8R1.34 O=C(O)CC1CCC1 OR312055 [1,0,0,1,0,0|0,0,2]=4 80 B8R1.35 O=C(O)CCC1CC1 OR313064 [1,0,0,1,0,0|0,0,2]=4 81 B8R1.23 C=C1CC(C(=O)O)C1 OR6346 [1,0,0,1,0,0|1,0,1]=4 82 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 OR8278 [1,0,0,1,0,0|0,0,1]=3 83 B8R1.51 CC1(C)CCC(=O)O1 OR313007 [1,0,0,1,0,0|1,0,1]=4 84 B10R1.13 NC1CCC(C(=O)O)CC1 OR17541 [0,0,0,1,0,1|0,0,2]=4 85 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 OR3286 [0,0,0,1,0,1|0,0,2]=4 86 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 OR3299 [0,0,0,1,0,1|0,0,2]=4 87 B10R1.83 CC1(C)C(N)CC1C(=O)O OR40625 [0,1,0,1,0,0|0,0,2]=4 88 B10R1.113 NC1CCCC(C(=O)O)C1 OR3300 [0,1,0,1,0,0|0,0,2]=4 89 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 OR52453 [0,1,0,1,0,0|0,0,2]=4 90 B10R1.113 O=C1C=CCC(C(=O)O)C1 OR305523 [0,1,0,1,0,0|1,0,1]=4 91 B10R1.66 O=C(O)CCC1=CC=CO1 OR3886 [0,1,0,1,0,0|1,0,1]=4 92 B10R1.66 O=C(O)CCC1=CNC=N1 OR4318 [0,1,0,1,0,0|0,0,2]=4 93 B10R1.66 O=C(O)CCN1C=CN=C1 OR14498 [0,1,0,1,0,0|1,0,1]=4 94 B10R1.66 O=C(O)CCN1C=NC=N1 OR7108 [0,1,0,1,0,0|1,0,1]=4 95 B6R0.2 CC(C)CC(=O)O OR2260 [1,0,0,0,1,0|1,0,1]=4 96 B6R0.3 CCC(N)C(=O)O OR9986 [0,0,0,0,2,0|0,0,2]=4 97 B6R0.3 CC[C@@H](N)C(=O)O OR9988 [0,0,0,0,2,0|0,0,2]=4 98 B6R0.3 CC[C@H](N)C(=O)O OR01636 [0,0,0,0,2,0|0,0,2]=4 99 B6R0.3 NCC(N)C(=O)O OR42215 [0,0,0,0,2,0|1,0,1]=4 100 B6R0.3 NCC(N)C(=O)O OR5494 [0,0,0,0,2,0|1,0,1]=4 101 B6R0.3 N[C@@H](CS)C(=O)O OR0325 [0,0,0,0,2,0|1,0,1]=4