0 B7R0.1 CNCCCCC=C CB11323 [1,0,0,0,0,0|1,0,1]=3 1 B7R0.3 COC(=O)CCCO AB65249 [1,0,0,0,0,0|2,0,1]=4 2 B7R0.4 B(CCCCC)(O)O AB08098 [1,0,0,0,0,0|2,0,1]=4 3 B7R0.4 CCCCO[N+](=O)[O-] AB01790 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.5 CN1CCNCCC1=O AB49613 [0,0,0,1,0,0|2,0,1]=4 5 B9R1.11 C1CC(OC1)C(=O)NN AB11571 [0,0,0,1,0,0|3,0,0]=4 6 B9R1.11 C1COCC1C(=O)NN PB34154 [0,0,0,1,0,0|3,0,0]=4 7 B9R1.11 COC(=O)C1CCNC1 PB20842 [0,0,0,1,0,0|2,0,1]=4 8 B9R1.11 COC(=O)C1CCOC1 PB14439 [0,0,0,1,0,0|2,0,1]=4 9 B9R1.11 COC(=O)[C@@H]1CCCN1 AB16177 [0,0,0,1,0,0|2,0,1]=4 10 B9R1.11 COC(=O)[C@@H]1CCNC1 PB24127 [0,0,0,1,0,0|2,0,1]=4 11 B9R1.11 COC(=O)[C@@H]1CCOC1 PB21424 [0,0,0,1,0,0|2,0,1]=4 12 B9R1.11 COC(=O)[C@H]1CCNC1 PB24144 [0,0,0,1,0,0|2,0,1]=4 13 B9R1.11 COC(=O)[C@H]1CCOC1 PB21418 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.49 CN1CCCC(=O)CC1 AB42491 [0,0,0,1,0,0|1,0,2]=4 15 B9R1.79 COC(=O)CC1CNC1 PB34937 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.79 COC(=O)CC1COC1 PB11364 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.132 CN1C(CCC1=O)CO MB69102 [0,0,0,1,0,0|2,0,1]=4 18 B6R0.1 CCNC(=O)C=C CB10170 [2,0,0,0,0,0|1,0,0]=3 19 B6R0.4 C=C(CCCCl)I MB13670 [2,0,0,0,0,0|2,0,0]=4 20 B8R0.9 CC(=O)OCC(=O)C=C AB16085 [1,1,0,0,0,0|1,0,1]=4 21 B8R0.5 CCCC(CC(=O)O)N AB01975 [1,1,0,0,0,0|1,0,0]=3 22 B10R0.74 CCCCNCCC(=O)OC MB00434 [0,2,0,0,0,0|1,0,1]=4 23 B8R1.38 C1CC(C1)C(=O)NN PB29240 [1,0,0,1,0,0|2,0,0]=4 24 B8R1.40 COC(=O)CC1CC1 PB20704 [1,0,0,1,0,0|1,0,1]=4 25 B8R1.4 C1CC(=CC(=O)C1)I MB07038 [1,0,0,1,0,0|1,0,1]=4 26 B8R1.4 CC1CC(=O)CCN1 PB18889 [1,0,0,1,0,0|1,0,1]=4 27 B8R1.4 CC1CC(=O)CCO1 PB18115 [1,0,0,1,0,0|1,0,1]=4 28 B8R1.4 CC1CNCC(=O)N1 AB37299 [1,0,0,1,0,0|2,0,0]=4 29 B8R1.4 CN1CCCC(=O)C1 AB39316 [1,0,0,1,0,0|1,0,1]=4 30 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [1,0,0,1,0,0|1,0,1]=4 31 B8R1.4 C[C@@H]1CNCC(=O)N1 AB37303 [1,0,0,1,0,0|2,0,0]=4 32 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [1,0,0,1,0,0|1,0,1]=4 33 B8R1.4 C[C@H]1CNCC(=O)N1 AB37302 [1,0,0,1,0,0|2,0,0]=4 34 B8R1.7 C1CCC(C1)C(=O)O AB00138 [1,0,0,1,0,0|1,0,0]=3 35 B8R1.7 C1CNCC1C(=O)N PB11736 [1,0,0,1,0,0|2,0,0]=4 36 B8R1.7 C1CNCC1C(=O)N PB32691 [1,0,0,1,0,0|2,0,0]=4 37 B8R1.7 C1CNCC1C(=O)O PB19915 [1,0,0,1,0,0|2,0,0]=4 38 B8R1.7 C1CNC[C@@H]1C(=O)N PB14988 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.7 C1CNC[C@@H]1C(=O)O PB16017 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.7 C1CNC[C@H]1C(=O)N PB16436 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.7 C1CNC[C@H]1C(=O)N PB28896 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.7 C1CNC[C@H]1C(=O)O PB10622 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.7 C1COCC1C(=O)N PB20686 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.7 C1COC[C@@H]1C(=O)O PB15879 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.7 C1COC[C@H]1C(=O)O PB26265 [1,0,0,1,0,0|2,0,0]=4 46 B8R1.7 C1C[C@@H](NC1)C(=O)N AB04106 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.7 C1C[C@@H](NC1)C(=O)O AB02582 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.7 C1C[C@H](NC1)C(=O)N AB00394 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.34 C1C(CN1)CC(=O)O PB17729 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.34 C1C(CO1)CC(=O)O PB15407 [1,0,0,1,0,0|2,0,0]=4 51 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)N PB15463 [0,1,0,1,0,0|1,0,1]=4 52 B10R1.14 COC(=O)[C@@H]1CC[C@H](C1)N PB37186 [0,1,0,1,0,0|1,0,1]=4 53 B10R1.14 COC(=O)[C@H]1CC[C@@H](C1)N PB38858 [0,1,0,1,0,0|1,0,1]=4 54 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)N PB36059 [0,1,0,1,0,0|1,0,1]=4 55 B10R1.11 C1CCC(C1)C(=O)CC#N PB32362 [0,1,0,1,0,0|0,0,2]=4 56 B10R1.25 CCC1CNC(=O)CC1=O PB13231 [0,1,0,1,0,0|1,0,1]=4 57 B10R1.15 C1CC(COC1)C(=O)NN PB15327 [0,1,0,1,0,0|2,0,0]=4 58 B10R1.15 C1COCCC1C(=O)NN PB29666 [0,1,0,1,0,0|2,0,0]=4 59 B10R1.15 COC(=O)C1CCCOC1 PB29711 [0,1,0,1,0,0|1,0,1]=4 60 B10R1.15 COC(=O)C1CCNCC1 AB04510 [0,1,0,1,0,0|1,0,1]=4 61 B10R1.15 COC(=O)C1CCOCC1 PB10181 [0,1,0,1,0,0|1,0,1]=4 62 B10R1.15 COC(=O)C1CCSCC1 PB17687 [0,1,0,1,0,0|1,0,1]=4 63 B10R1.15 COC(=O)[C@@H]1CCCNC1 PB34398 [0,1,0,1,0,0|1,0,1]=4 64 B10R1.15 COC(=O)[C@H]1CCCNC1 PB17641 [0,1,0,1,0,0|1,0,1]=4 65 B10R1.27 COC(=O)C[C@@H]1CCCN1 AB58450 [0,1,0,1,0,0|1,0,1]=4 66 B10R2.178 C1CC2C(=O)CCC1N2 PB36488 [0,0,0,2,0,0|1,0,1]=4 67 B10R2.32 C1CC(=O)C2=CN=CC21 AB22250 [0,0,0,2,0,0|1,0,1]=4