0 B10R1.194 CN1CCC(C(=O)O)C1=O OR938615 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.35 CN1CCC(C(=O)O)C1 OR40451 [1,0,0,0,0,0|2,0,0]=3 2 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 OR61276 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 OR54386 [1,0,0,0,0,0|2,0,1]=4 4 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 OR30677 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 OR307107 [1,0,0,0,0,0|1,0,1]=3 6 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 OR30676 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 OR6733 [1,0,0,0,0,0|1,0,2]=4 8 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 OR30769 [1,0,0,0,0,0|1,0,2]=4 9 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 OR8964 [1,0,0,0,0,0|1,0,2]=4 10 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 OR17254 [1,0,0,0,0,0|1,0,2]=4 11 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 OR40650 [1,0,0,0,0,0|1,0,2]=4 12 B9R1.35 O=C1CCC(C(=O)O)C1 OR301089 [1,0,0,0,0,0|0,0,0]=1 13 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 OR8965 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 OR22101 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.35 O=C1CC[C@H](C(=O)O)N1 OR8966 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.41 NN1CCC[C@@H]1C(=O)O OR2800T [1,0,0,0,0,0|2,0,1]=4 17 B9R0.13 CCCCC(CC)C(=O)O OR16495 [0,0,1,0,0,0|1,0,1]=3 18 B9R0.13 CCCCC(CC)C(=O)[O-] OR46573 [0,0,1,0,0,0|1,0,2]=4 19 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O OR350360 [0,0,1,0,0,0|3,0,0]=4 20 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O OR2876 [0,0,1,0,0,0|3,0,0]=4 21 B8R0.6 CCCCCC(=O)CC OR6025 [1,0,1,0,0,0|1,0,1]=4 22 B8R0.7 CCCCCCC(C)=O OR46056 [1,0,1,0,0,0|1,0,1]=4 23 B8R0.7 NCCCCCC(=O)O OR46222 [1,0,1,0,0,0|1,0,1]=4 24 B8R0.7 O=C(O)CCCCCBr OR9393 [1,0,1,0,0,0|1,0,1]=4 25 B8R0.7 O=C(O)CCCCCO OR200084 [1,0,1,0,0,0|1,0,1]=4 26 B8R0.28 C=C(C)CCCC(=O)O OR16969 [1,0,1,0,0,0|1,0,0]=3 27 B8R0.28 O=C(Cl)CCCC(=O)Cl OR63039 [1,0,1,0,0,0|2,0,0]=4 28 B8R0.28 O=C(O)COCC(=O)O OR55403 [1,0,1,0,0,0|2,0,0]=4 29 B8R0.28 O=C(O)CSCC(=O)O OR0788 [1,0,1,0,0,0|2,0,0]=4 30 B8R0.9 NCC(=O)CCC(=O)O OR1490 [1,0,1,0,0,0|1,0,0]=3 31 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl OR42238 [1,0,1,0,0,0|2,0,0]=4 32 B8R0.23 CC(=O)O[C@@H](C)C(=O)O OR322114 [1,0,1,0,0,0|1,0,0]=3 33 B8R0.23 O=C(O)CC(S)C(=O)O OR24868 [1,0,1,0,0,0|2,0,0]=4 34 B8R0.23 O=C(O)C[C@@H](O)C(=O)O OR315008 [1,0,1,0,0,0|2,0,0]=4 35 B8R0.23 O=C(O)C[C@H](O)C(=O)O OR51833 [1,0,1,0,0,0|2,0,0]=4 36 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O OR14897 [1,0,1,0,0,0|1,0,1]=4 37 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O OR61331 [1,0,1,0,0,0|2,0,0]=4 38 B8R1.1 C=CC1CCC(=O)N1 OR307048 [2,0,0,0,0,0|2,0,0]=4 39 B8R1.1 O=C1CC(CO)CN1 OR300508 [2,0,0,0,0,0|1,0,1]=4 40 B8R1.1 O=C1CC[C@@H](CO)N1 OR350343 [2,0,0,0,0,0|1,0,1]=4 41 B8R1.1 O=C1CC[C@@H](CO)O1 OR42217 [2,0,0,0,0,0|1,0,1]=4 42 B8R1.1 O=C1CC[C@H](CO)N1 OR451180 [2,0,0,0,0,0|1,0,1]=4 43 B8R1.7 NC(=O)C1CC=CC1 OR11439 [2,0,0,0,0,0|1,0,1]=4 44 B8R1.7 O=C(Cl)C1CCCC1 OR6700 [2,0,0,0,0,0|1,0,1]=4 45 B8R1.7 O=C(Cl)C1CCOC1 OR16566 [2,0,0,0,0,0|2,0,0]=4 46 B8R1.7 O=C(O)C1C=CCN1 OR6272 [2,0,0,0,0,0|1,0,1]=4 47 B8R1.7 O=C(O)C1CC=CC1 OR12005 [2,0,0,0,0,0|0,0,1]=3 48 B8R1.7 O=C(O)C1CCCC1 OR18358 [2,0,0,0,0,0|0,0,1]=3 49 B8R1.7 O=C(O)C1CCCN1 OR350110 [2,0,0,0,0,0|1,0,1]=4 50 B8R1.7 O=C(O)C1CCCO1 OR10057 [2,0,0,0,0,0|1,0,1]=4 51 B8R1.7 O=C(O)C1CCOC1 OR16452 [2,0,0,0,0,0|1,0,0]=3 52 B8R1.7 O=C(O)[C@@H]1CCCO1 OR40518 [2,0,0,0,0,0|1,0,1]=4 53 B8R1.7 O=C(O)[C@H]1CCCN1 OR0718 [2,0,0,0,0,0|1,0,1]=4 54 B8R1.50 CC1C(=O)CCC1=O OR0612 [2,0,0,0,0,0|0,0,1]=3 55 B8R1.50 O=C1OC[C@@H](O)[C@H]1O OR55152 [2,0,0,0,0,0|2,0,0]=4 56 B10R0.3 C=C(C)CCCC(=O)OCC OR01824 [0,1,1,0,0,0|2,0,0]=4 57 B10R0.3 CCOC(=O)CCCC(C)=O OR59873 [0,1,1,0,0,0|1,0,0]=3 58 B10R0.82 COC(=O)CC[C@H](N)C(N)=O OR961350 [0,1,1,0,0,0|2,0,0]=4 59 B10R1.14 COC(=O)C1CCC(=O)C1 OR42206 [1,1,0,0,0,0|0,0,0]=2 60 B10R1.14 COC(=O)C1CNC(=O)C1 OR300522 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 OR350259 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.58 CN1CC(C(=O)O)CC1=O OR6333 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.59 C=C1C[C@H](N)[C@H](C(=O)O)C1 OR8976 [1,1,0,0,0,0|1,0,0]=3 64 B10R1.359 CC1(C)CCC(C(=O)O)C1 OR306499 [1,1,0,0,0,0|1,0,1]=4 65 B10R1.359 O=C(O)C1CCS(=O)(=O)N1 OR914154 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.83 CC1(C)C(N)CC1C(=O)O OR40625 [0,1,0,0,1,0|1,0,1]=4 67 B10R1.13 CC(=O)N1CCC(=O)CC1 OR4551 [0,0,1,1,0,0|2,0,0]=4 68 B10R1.13 CN1CCC(C(=O)O)CC1 OR5738 [0,0,1,1,0,0|2,0,0]=4 69 B10R1.13 CN1CCC(C(=O)O)CC1 OR6930 [0,0,1,1,0,0|2,0,0]=4 70 B10R1.13 NC1CCC(C(=O)O)CC1 OR17541 [0,0,1,1,0,0|1,0,1]=4 71 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 OR3286 [0,0,1,1,0,0|1,0,1]=4 72 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 OR3299 [0,0,1,1,0,0|1,0,1]=4 73 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 OR40634 [0,0,1,1,0,0|0,0,2]=4 74 B10R1.13 O=C1CCC(C(=O)O)CC1 OR6345 [0,0,1,1,0,0|0,0,0]=2 75 B10R1.79 O=C1CCCC(=O)CCC1 OR26280 [0,0,1,1,0,0|1,0,0]=3 76 B10R1.348 O=C(O)C1CCCCCC1 OR6532 [0,0,1,1,0,0|1,0,1]=4 77 B10R1.64 O=C(O)CN1CCOC1=O OR5920 [0,0,1,1,0,0|2,0,0]=4 78 B10R1.361 O=C(O)C1CCC1C(=O)O OR48240 [0,0,1,1,0,0|1,0,0]=3 79 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O OR460022 [0,0,1,1,0,0|1,0,0]=3 80 B8R1.23 C=C1CC(C(=O)O)C1 OR6346 [1,0,0,0,1,0|1,0,0]=3 81 B8R1.23 CN1CC(C(=O)O)C1 OR308026 [1,0,0,0,1,0|2,0,0]=4 82 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 OR8278 [1,0,0,0,1,0|1,0,1]=4 83 B8R1.23 O=C1CC(C(=O)O)C1 OR40464 [1,0,0,0,1,0|0,0,0]=2 84 B10R0.55 COC(=O)CCCCC(=O)Cl OR4232 [0,0,1,0,0,1|2,0,0]=4 85 B10R1.113 CN1CCCC(C(=O)O)C1 OR5741 [1,0,0,0,0,1|2,0,0]=4 86 B10R1.113 CN1CCCC(C(=O)O)C1 OR6929 [1,0,0,0,0,1|2,0,0]=4 87 B10R1.113 CN1CCC[C@@H](C(=O)O)C1 OR55486 [1,0,0,0,0,1|2,0,0]=4 88 B10R1.113 CN1CCC[C@H](C(=O)O)C1 OR55487 [1,0,0,0,0,1|2,0,0]=4 89 B10R1.113 NC1CCCC(C(=O)O)C1 OR3300 [1,0,0,0,0,1|1,0,1]=4 90 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 OR52453 [1,0,0,0,0,1|1,0,1]=4 91 B10R1.113 O=C1C=CCC(C(=O)O)C1 OR305523 [1,0,0,0,0,1|0,0,1]=3 92 B10R1.113 O=C1CCCC(C(=O)O)C1 OR12931 [1,0,0,0,0,1|0,0,0]=2 93 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 OR51818 [1,0,0,0,0,1|1,0,0]=3