0 B7R0.4 CC(C)NCCCO 0839AE [0,0,0,0,0,0|2,0,2]=4 1 B7R0.4 CN(C)CCCC#N X6979 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.4 C=COCC(C)C 8720AJ [1,0,0,0,0,0|1,0,0]=2 3 B6R0.4 CC(Br)CCCBr 9465AB [1,0,0,0,0,0|2,0,1]=4 4 B6R0.4 CC(C)CN=C=O 6296AD [1,0,0,0,0,0|1,0,1]=3 5 B6R0.4 CC(C)SCCN 3448AF [1,0,0,0,0,0|2,0,1]=4 6 B6R0.4 CC(O)CCCO 1536AL [1,0,0,0,0,0|1,0,2]=4 7 B6R0.4 CCCSC(C)C 8111AL [1,0,0,0,0,0|2,0,1]=4 8 B6R0.4 CN(C)CCCBr W7153 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.6 C=CCCCCCl X6224 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.6 CCCCSCC 7568AF [1,0,0,0,0,0|1,1,1]=4 11 B6R0.6 C\C=C/CCCO 7448AL [1,0,0,0,0,0|3,0,0]=4 12 B8R0.9 CN(C)CCN(C)C=O 3626AL [0,1,0,0,0,0|2,0,0]=3 13 B8R0.28 CC(=O)CCCC(C)C 5697AC [0,1,0,0,0,0|1,0,0]=2 14 B8R0.28 CC(=O)CCOC(C)=O 0405AA [0,1,0,0,0,0|1,0,1]=3 15 B8R0.28 CC(=O)OCC=C(C)C 3268AA [0,1,0,0,0,0|0,0,2]=3 16 B8R0.28 CC(=O)OCCN(C)C 6940AA [0,1,0,0,0,0|1,0,0]=2 17 B8R0.28 CC(=O)OCOC(C)=O 9512AB [0,1,0,0,0,0|2,0,1]=4 18 B8R0.28 CC(=O)\C=C\CC(C)C 2964AL [0,1,0,0,0,0|1,0,1]=3 19 B8R0.28 CC(C)CCCC(C)O 6866AL [0,1,0,0,0,0|1,0,2]=4 20 B8R0.28 CC(C)CCO[N+](=O)[O-] 7332AF [0,1,0,0,0,0|1,0,0]=2 21 B8R1.4 CC1CC(=O)CCN1 6568AA [0,0,0,1,0,0|2,0,0]=3 22 B8R1.4 CC1CC(=O)CCO1 3309AA [0,0,0,1,0,0|2,0,0]=3 23 B8R1.4 CC1CC(O)CCO1 1817AJ [0,0,0,1,0,0|2,0,1]=4 24 B8R1.4 CC1CCCC(C)C1 4569AL [0,0,0,1,0,0|2,0,1]=4 25 B8R1.4 CC1CCNC(=N)C1 1356AH [0,0,0,1,0,0|2,0,0]=3 26 B8R1.4 CN1CCOC(=O)C1 9637AA [0,0,0,1,0,0|1,0,0]=2 27 B8R1.4 O=C1CC(O)CCN1 V1296 [0,0,0,1,0,0|2,0,0]=3 28 B8R1.4 O=C1C[C@@H](O)CCN1 W6428 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.19 CC1(C)CCNC1=O 4182AE [0,0,0,1,0,0|1,0,0]=2 30 B8R1.72 CC1(C)CCCNC1 Y8537 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.72 CC1(C)CCNCC1 Z4691 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.72 CC1(N)CCOCC1 0694AC [0,0,0,1,0,0|2,0,1]=4 33 B8R1.72 CC1(N)CCOCC1 W8790 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.72 CC1(O)CCOCC1 W8268 [0,0,0,1,0,0|2,0,1]=4 35 B5R0.1 C#CCC(C)C 8172AJ [2,0,0,0,0,0|0,0,2]=4 36 B5R0.1 CC(C)CCI X5313 [2,0,0,0,0,0|1,0,0]=3 37 B5R0.1 CC(C)CNN Z1645 [2,0,0,0,0,0|2,0,0]=4 38 B5R0.1 CC(C)OC=O 7262AF [2,0,0,0,0,0|0,0,0]=2 39 B5R0.1 CC(N)CCO Z2685 [2,0,0,0,0,0|1,0,0]=3 40 B5R0.1 CN(C)CC=O 4924AA [2,0,0,0,0,0|1,0,0]=3 41 B5R0.1 COCC(C)N 0442AC [2,0,0,0,0,0|1,0,1]=4 42 B5R0.1 COC[C@@H](C)N W7467 [2,0,0,0,0,0|1,0,1]=4 43 B5R0.1 C[C@H](N)CCO W7371 [2,0,0,0,0,0|1,0,0]=3 44 B5R0.2 C=CCCCN 2628AB [2,0,0,0,0,0|2,0,0]=4 45 B5R0.2 CCCCON 7308AJ [2,0,0,0,0,0|1,0,0]=3 46 B5R0.2 CCCOC=O 8880AL [2,0,0,0,0,0|0,0,0]=2 47 B5R0.2 N#CCOC=O 7500AL [2,0,0,0,0,0|1,0,1]=4 48 B7R0.2 CNC(C)CC(C)C 2627AF [1,1,0,0,0,0|1,0,1]=4 49 B7R0.2 COC(=O)CC(C)C 8842AJ [1,1,0,0,0,0|0,0,2]=4 50 B7R0.3 C=CCCC(Br)CBr 4446AL [1,1,0,0,0,0|2,0,0]=4 51 B7R0.5 CC(C)C(N)CCO 5799AJ [1,1,0,0,0,0|0,0,2]=4 52 B7R0.6 C=C(C)CCC(=O)O 0114AA [1,1,0,0,0,0|0,0,2]=4 53 B7R0.6 CC(C)CCC(C)Br 5483AJ [1,1,0,0,0,0|1,0,1]=4 54 B7R0.6 CC(C)OCC(=O)O 0549AE [1,1,0,0,0,0|1,0,0]=3 55 B7R0.6 CC(Cl)CCC(=O)Cl 6146AJ [1,1,0,0,0,0|1,0,0]=3 56 B7R0.6 C[S+](C)CCC(=O)O 4030AL [1,1,0,0,0,0|1,0,0]=3 57 B7R0.8 C=CCNC(C)(C)C 8484AL [1,1,0,0,0,0|2,0,0]=4 58 B7R0.8 CCCCC(C)(C)O 7817AF [1,1,0,0,0,0|1,0,1]=4 59 B7R0.8 O=COCC(F)(F)F 5076AL [1,1,0,0,0,0|2,0,0]=4 60 B7R0.1 CCCCCOC=O 7518AF [1,1,0,0,0,0|0,0,0]=2 61 B7R0.1 COCCCN=C=O X6790 [1,1,0,0,0,0|1,0,1]=4 62 B7R0.1 O=COCCOC=O 7217AF [1,1,0,0,0,0|1,0,1]=4 63 B7R0.7 CCCC(C)CC=S U658 [1,1,0,0,0,0|1,1,0]=4 64 B9R0.53 CC(=O)NC(C)OC(C)C 8305AL [0,2,0,0,0,0|2,0,0]=4 65 B9R0.53 CC(C)C[C@H](N)CC(=O)O X3295 [0,2,0,0,0,0|1,0,0]=3 66 B9R0.1 CC(C)=CCCC(C)C=O 5418AL [0,2,0,0,0,0|1,0,1]=4 67 B9R0.1 CCC(C)CCOC(C)=O 6119AL [0,2,0,0,0,0|0,0,0]=2 68 B9R0.1 CCC(C)OCCC(C)=O 6681AL [0,2,0,0,0,0|2,0,0]=4 69 B9R0.48 CCOC(=O)CCC(C)C 6706AH [0,2,0,0,0,0|1,0,1]=4 70 B9R0.55 CC(=O)CCOCC(C)C 6549AL [0,2,0,0,0,0|1,0,0]=3 71 B9R0.55 CC(C)CCCCC(=O)O 5715AC [0,2,0,0,0,0|1,0,0]=3 72 B9R0.55 CN(C)CCCCC(=O)O 6277AJ [0,2,0,0,0,0|2,0,0]=4 73 B9R0.56 CC(=O)OCC[N+](C)(C)C 0176AC [0,2,0,0,0,0|1,0,0]=3 74 B9R0.56 CC(C)(C)CNCC(=O)O Y6728 [0,2,0,0,0,0|2,0,0]=4 75 B9R0.56 CC(C)(C)CNCC(=O)O Y6733 [0,2,0,0,0,0|2,0,0]=4 76 B7R1.2 CC1CCC(=O)N1 1659AA [1,0,0,1,0,0|1,0,0]=3 77 B7R1.2 CC1COC(=O)N1 5156AD [1,0,0,1,0,0|1,0,0]=3 78 B7R1.2 C[C@@H]1COC(=O)N1 5441AB [1,0,0,1,0,0|1,0,0]=3 79 B7R1.2 C[C@H]1COC(=O)N1 5440AB [1,0,0,1,0,0|1,0,0]=3 80 B7R1.2 O=C1OCC(Cl)O1 E933 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.3 BrC1CCOCC1 W4892 [1,0,0,1,0,0|1,0,1]=4 82 B7R1.14 CC1(C)CCCN1 W7438 [1,0,0,1,0,0|1,0,1]=4 83 B7R1.1 O=CC1=CCCC1 Z4945 [1,0,0,1,0,0|1,0,1]=4 84 B7R1.4 CC1CCNC1=O Y8455 [1,0,0,1,0,0|1,0,0]=3 85 B7R1.4 CC1CCOC1=O W3659 [1,0,0,1,0,0|0,0,0]=2 86 B7R1.4 CC1CSCC1=O 6972AB [1,0,0,1,0,0|2,0,0]=4 87 B7R1.4 CC1SCCC1=O 6512AA [1,0,0,1,0,0|2,0,0]=4 88 B7R1.4 NC1CCNC1=O 0020AD [1,0,0,1,0,0|2,0,0]=4 89 B7R1.4 O=C1OCCC1O 0071AB [1,0,0,1,0,0|1,0,0]=3 90 B7R1.4 O=C1OCC[C@H]1O 8329AB [1,0,0,1,0,0|1,0,0]=3 91 B9R1.34 CC1CC(=O)CC(C)O1 1555AA [0,1,0,1,0,0|2,0,0]=4 92 B9R1.34 CC1CC(=O)OC(=O)C1 6113AL [0,1,0,1,0,0|0,0,1]=3 93 B9R1.41 CC(=O)N1CCOC1=O 1403AQ [0,1,0,1,0,0|1,0,1]=4 94 B9R1.66 CC1(C)CC(=O)CCO1 V2429 [0,1,0,1,0,0|2,0,0]=4 95 B9R1.66 CC1(O)CCOC(=O)C1 I616 [0,1,0,1,0,0|0,0,0]=2 96 B9R1.2 CCC1CCCC(=O)C1 7677AD [0,1,0,1,0,0|1,0,0]=3 97 B9R1.49 CN1CCNC(=O)CC1 3270AC [0,1,0,1,0,0|2,0,0]=4 98 B9R1.49 CN1CCNC(=O)CC1 W6867 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.118 CC1(CO)CCOCC1 2523AJ [0,1,0,1,0,0|1,0,1]=4 100 B9R1.6 CC(C)[C@@H]1COCCN1 1580AC [0,1,0,1,0,0|1,0,1]=4 101 B9R1.40 CC1(C)NCCNC1=O W4622 [0,1,0,1,0,0|1,0,0]=3 102 B9R1.85 O=C(O)CSCC1CC1 4499AF [0,1,0,1,0,0|2,0,0]=4 103 B9R1.35 CC(=O)N1CCC(O)C1 1505AB [0,1,0,1,0,0|2,0,0]=4 104 B9R1.35 CC(=O)N1CC[C@@H](N)C1 Z2268 [0,1,0,1,0,0|2,0,0]=4 105 B9R1.35 CC(=O)N1CC[C@@H](O)C1 4794AJ [0,1,0,1,0,0|2,0,0]=4 106 B9R1.35 CC(=O)N1CC[C@H](O)C1 V9420 [0,1,0,1,0,0|2,0,0]=4 107 B9R1.35 CC(C)[C@@H]1CSC(=S)N1 X0122 [0,1,0,1,0,0|0,2,0]=4 108 B9R1.35 NC1CCC(C(=O)O)C1 9225AF [0,1,0,1,0,0|2,0,0]=4 109 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 Z7280 [0,1,0,1,0,0|2,0,0]=4 110 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 Y6731 [0,1,0,1,0,0|2,0,0]=4 111 B9R2.68 [C@H]12C=CC[C@H](CC1)C2 7170AL [0,0,0,2,0,0|2,0,0]=4 112 B9R2.109 O=C1CCCC2OC12 7860AE [0,0,0,2,0,0|2,0,0]=4