0 B8R0.28 CC(=O)CCC=C(C)C DY506172 [0,0,0,0,0,0|0,0,2]=2 1 B8R0.28 CC(=O)CCCC(=O)O DY547923 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.28 CC(=O)NCCC(=O)O DY584556 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.28 CC(C)CCCC(=O)O DY564243 [0,0,0,0,0,0|1,0,3]=4 4 B8R0.28 CC(C)CCCC(C)N DY822701 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.28 CC(C)COCC(C)C DY740839 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.28 CN(C)CCCC(=O)O NO18615 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.4 CC(=O)CCCCBr NO10627 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.4 CC(C)OCCCN DY546693 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.4 CCCCCC(=O)Cl DY822275 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.4 CCCCCC(C)O NO21570 [1,0,0,0,0,0|0,0,2]=3 11 B7R0.4 CN(C)CCCCCl DY551337 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.4 CN(C)CCCCO NO22813 [1,0,0,0,0,0|1,0,1]=3 13 B7R0.4 CNCCCN(C)C DY584479 [1,0,0,0,0,0|2,0,1]=4 14 B9R0.7 CC(C)C(=O)CCN(C)C DY793521 [0,1,0,0,0,0|2,0,1]=4 15 B9R0.56 CC(C)CCCC(C)(C)O DY517797 [0,1,0,0,0,0|0,0,2]=3 16 B9R0.56 CC(C)CNCC(C)(C)O DY520773 [0,1,0,0,0,0|1,0,2]=4 17 B9R0.56 CC(N)CCCC(C)(C)O DY559527 [0,1,0,0,0,0|1,0,2]=4 18 B9R1.35 CC(=O)N1CCC(N)C1 DY665434 [0,0,0,1,0,0|3,0,0]=4 19 B9R1.35 CC(C)C1CNC(=O)C1 DY578559 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.35 CC(C)N1CCC(N)C1 NO18842 [0,0,0,1,0,0|2,0,1]=4 21 B9R1.35 O=C(O)[C@H]1CC[C@@H](O)C1 DY620370 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.49 CN1CCCC(O)CC1 DY685139 [0,0,0,1,0,0|1,0,1]=3 23 B9R1.49 CN1CCCC(O)CC1 NO13879 [0,0,0,1,0,0|1,0,1]=3 24 B9R1.49 O=C1CCCC(O)CN1 DY743185 [0,0,0,1,0,0|2,0,1]=4 25 B9R1.66 CC1(C)CCCC(=O)C1 DY10482 [0,0,0,1,0,0|2,0,1]=4 26 B9R1.66 CN1CCCC(C)(N)C1 DY513525 [0,0,0,1,0,0|2,0,1]=4 27 B7R0.6 C=C(C)CCC(=O)O NO16527 [0,0,0,0,1,0|1,0,2]=4 28 B7R0.6 CC(=O)CCC(=O)O NO18688 [0,0,0,0,1,0|2,0,1]=4 29 B7R0.6 CC(Br)CCC(C)Br DY793473 [0,0,0,0,1,0|2,0,1]=4 30 B7R0.6 CC(C)CCC(=N)N DY611066 [0,0,0,0,1,0|3,0,0]=4 31 B7R0.6 CN(C)CCC(=O)O NO12169 [0,0,0,0,1,0|2,0,1]=4 32 B7R0.6 C[C@@H](O)CC[C@@H](C)O DY459360 [0,0,0,0,1,0|1,0,1]=3 33 B6R0.4 C=CCCC(=O)O NO15216 [2,0,0,0,0,0|1,0,1]=4 34 B6R0.4 C=COCC(C)C DY822723 [2,0,0,0,0,0|2,0,0]=4 35 B6R0.4 CC(=O)CCCBr NO10305 [2,0,0,0,0,0|2,0,0]=4 36 B6R0.4 CC(=O)CCCCl NO10334 [2,0,0,0,0,0|2,0,0]=4 37 B6R0.4 CC(C)=CC[Zn]Cl DY116080 [2,0,0,0,0,0|2,0,0]=4 38 B6R0.4 CC(C)CCCBr DY740443 [2,0,0,0,0,0|1,0,1]=4 39 B6R0.4 CCCCC(C)O DY740779 [2,0,0,0,0,0|0,0,1]=3 40 B6R0.4 CCCC[SiH](C)C DY500283 [2,0,0,0,0,0|0,1,0]=3 41 B6R0.4 CCNCC(C)C DY564723 [2,0,0,0,0,0|1,0,1]=4 42 B6R0.4 CC\C=C\C(C)=O DY822743 [2,0,0,0,0,0|1,0,1]=4 43 B6R0.4 CN(C)CCCBr NO22184 [2,0,0,0,0,0|2,0,0]=4 44 B6R0.4 CN(C)CCCCl NO13505 [2,0,0,0,0,0|2,0,0]=4 45 B6R0.4 CN(C)CCCCl NO14943 [2,0,0,0,0,0|2,0,0]=4 46 B6R0.4 CNCCC(C)C DY543681 [2,0,0,0,0,0|1,0,1]=4 47 B6R0.4 CNCCC(C)C DY553713 [2,0,0,0,0,0|1,0,1]=4 48 B6R0.4 CNCCN(C)C NO11723 [2,0,0,0,0,0|2,0,0]=4 49 B6R0.4 CNCCN(C)C NO15131 [2,0,0,0,0,0|2,0,0]=4 50 B6R0.4 CSCCC(C)=O DY740809 [2,0,0,0,0,0|2,0,0]=4 51 B6R0.6 C=CCCCCO NO10397 [2,0,0,0,0,0|0,0,2]=4 52 B6R0.6 CC#CCCCO DY580533 [2,0,0,0,0,0|0,0,2]=4 53 B6R0.6 CCCCSCC DY740893 [2,0,0,0,0,0|1,0,1]=4 54 B6R0.6 CNCCCCO DY554133 [2,0,0,0,0,0|1,0,1]=4 55 B6R0.6 COCCCCO DY741295 [2,0,0,0,0,0|1,0,1]=4 56 B8R0.5 CCOC(=O)C=C(C)C NO11345 [1,1,0,0,0,0|1,0,1]=4 57 B8R0.6 CCCCNC(=O)CCl NO11766 [1,1,0,0,0,0|2,0,0]=4 58 B8R0.6 NCC(=O)NCCCO DY741271 [1,1,0,0,0,0|2,0,0]=4 59 B8R0.7 CCCCCC[C@H](C)O DY626179 [1,1,0,0,0,0|0,0,2]=4 60 B8R0.7 CN(C)CCNCCO DY552351 [1,1,0,0,0,0|1,0,1]=4 61 B8R0.7 CN(C)CCOCCO DY531015 [1,1,0,0,0,0|1,0,1]=4 62 B8R0.8 CNCCC(=O)N(C)C DY606171 [1,1,0,0,0,0|2,0,0]=4 63 B8R0.9 C=CC(=O)OCC(C)O NO21600 [1,1,0,0,0,0|1,0,1]=4 64 B8R0.9 CC(C)NC[C@H](O)CO DY437814 [1,1,0,0,0,0|1,0,1]=4 65 B8R0.23 C=C(CC(C)C)C(C)=O DY740959 [0,1,0,0,1,0|2,0,0]=4 66 B10R0.57 C\C=C(/C)C(=O)OCC(C)C DY740863 [0,2,0,0,0,0|2,0,0]=4 67 B10R0.60 CCC(C)CCCC(C)(C)O DY792507 [0,2,0,0,0,0|0,0,2]=4 68 B10R0.65 CCC(C)(O)CCCC(C)C DY571707 [0,2,0,0,0,0|0,0,2]=4 69 B8R1.4 CC1CCNC(C)C1 NO21125 [1,0,0,1,0,0|1,0,1]=4 70 B8R1.4 C[C@@H]1CCC[C@H](O)C1 DY757141 [1,0,0,1,0,0|0,0,2]=4 71 B8R1.4 C[C@H]1C[C@@H](O)CCN1 DY102289 [1,0,0,1,0,0|1,0,1]=4 72 B8R1.4 O=C1C[C@@H](O)CCN1 DY555969 [1,0,0,1,0,0|2,0,0]=4 73 B8R1.6 CCCC1CC(=O)C1 DY561087 [1,0,0,1,0,0|1,0,1]=4 74 B8R1.7 CC(=O)C1CCCC1 DY445790 [1,0,0,1,0,0|1,0,1]=4 75 B8R1.7 CC(=O)C1CCCC1 NO20673 [1,0,0,1,0,0|1,0,1]=4 76 B8R1.7 CC(=O)C1CCCO1 DY586599 [1,0,0,1,0,0|1,0,1]=4 77 B8R1.7 CC(=O)[C@H]1CCCO1 DY586598 [1,0,0,1,0,0|1,0,1]=4 78 B8R1.7 CC(O)C1CCCC1 DY757207 [1,0,0,1,0,0|0,0,2]=4 79 B8R1.22 O=C1CCCCCC1 DY461238 [1,0,0,1,0,0|1,0,1]=4 80 B8R1.22 O[C@H]1CCCOCC1 DY770757 [1,0,0,1,0,0|1,0,1]=4 81 B8R1.35 CC(C)OCC1CO1 DY553215 [1,0,0,1,0,0|1,0,1]=4 82 B8R1.72 CC1(O)CCOCC1 NO12641 [1,0,0,1,0,0|1,0,1]=4 83 B8R1.3 CC1CCC(O)CC1 DY562059 [0,0,0,1,1,0|0,0,1]=3 84 B8R1.3 CN1CCC(N)CC1 NO18628 [0,0,0,1,1,0|2,0,0]=4 85 B8R1.3 CN1CCC(O)CC1 NO13491 [0,0,0,1,1,0|1,0,0]=3 86 B8R1.3 C[C@H]1CC[C@@H](O)CN1 DY542115 [0,0,0,1,1,0|1,0,1]=4 87 B8R1.3 C[C@H]1CO[C@@H](C)CN1 DY107002 [0,0,0,1,1,0|1,0,1]=4 88 B8R1.3 C[C@H]1CO[C@H](C)CN1 DY620618 [0,0,0,1,1,0|1,0,1]=4 89 B8R1.3 NC1CCC(=O)CC1 NO22583 [0,0,0,1,1,0|2,0,0]=4 90 B8R1.3 NC1CCC(O)CC1 DY585958 [0,0,0,1,1,0|1,0,1]=4 91 B8R1.3 NC1CCC(O)CC1 NO18581 [0,0,0,1,1,0|1,0,1]=4 92 B8R1.3 N[C@H]1CC[C@@H](O)CC1 NO15381 [0,0,0,1,1,0|1,0,1]=4 93 B8R1.3 N[C@H]1CC[C@H](O)CC1 NO12038 [0,0,0,1,1,0|1,0,1]=4 94 B8R1.3 N[C@H]1CC[C@H](O)CC1 NO18592 [0,0,0,1,1,0|1,0,1]=4 95 B8R1.3 O=C1CCC(O)CC1 NO22889 [0,0,0,1,1,0|1,0,0]=3 96 B8R1.3 O=C1CC[C@@H](O)CN1 DY502941 [0,0,0,1,1,0|2,0,0]=4 97 B8R1.3 O[C@H]1CC[C@@H](F)CC1 DY585400 [0,0,0,1,1,0|1,0,1]=4 98 B8R1.23 CC(C)N1CC(O)C1 DY444113 [0,0,0,1,1,0|1,0,1]=4 99 B8R1.23 CC(N)[C@H]1C[C@@H](O)C1 DY756223 [0,0,0,1,1,0|1,0,1]=4 100 B8R1.23 O=C(O)C1CC(O)C1 NO13147 [0,0,0,1,1,0|2,0,0]=4 101 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 DY104924 [0,0,0,1,1,0|2,0,0]=4 102 B8R1.51 CC1(O)CNC(=O)C1 DY559053 [0,0,0,1,1,0|2,0,0]=4 103 B10R1.113 CC(=O)N1CCC[C@@H](O)C1 DY626732 [0,0,0,1,0,1|1,0,1]=4 104 B10R1.13 CC(=O)C1CC=C(C)CC1 NO14813 [0,1,0,1,0,0|0,0,2]=4 105 B10R1.13 CC1=CCC(C(=O)O)CC1 DY460152 [0,1,0,1,0,0|1,0,1]=4 106 B10R1.13 CN(C)C1CCC(O)CC1 NO18395 [0,1,0,1,0,0|1,0,1]=4 107 B10R1.150 COC(=O)C[C@H]1C[C@@H](O)C1 DY507950 [0,1,0,1,0,0|1,0,1]=4 108 B10R1.171 CC1(C)OCCC(CO)O1 DY758714 [0,1,0,1,0,0|1,0,1]=4 109 B10R1.58 CC(C)N1C[C@@H](N)[C@H](O)C1 DY610281 [0,1,0,1,0,0|1,0,1]=4 110 B10R2.314 [C@H]12C[C@H](O)C[C@H]1C2(C)C DY620196 [0,0,0,2,0,0|0,0,2]=4 111 B10R2.318 CN1CC2CC(O)(C2)C1 DY585588 [0,0,0,2,0,0|1,0,1]=4 112 B6R0.2 CC(C)=CC(=O)O NO14947 [0,0,0,0,2,0|1,0,1]=4 113 B6R0.2 CC(C)CC(C)N DY822361 [0,0,0,0,2,0|1,0,1]=4 114 B6R0.2 CC(O)CC(=O)[O-] DY460020 [0,0,0,0,2,0|2,0,0]=4 115 B6R0.2 CC(O)CN(C)C DY741373 [0,0,0,0,2,0|1,0,0]=3 116 B6R0.2 C[C@@H](N)CN(C)C DY550137 [0,0,0,0,2,0|2,0,0]=4 117 B6R0.2 C[C@@H](O)CC(=O)[O-] NO20253 [0,0,0,0,2,0|2,0,0]=4 118 B6R0.2 C[C@@H](O)CN(C)C DY585675 [0,0,0,0,2,0|1,0,0]=3 119 B6R0.2 C[C@H](O)CC(=O)O DY426021 [0,0,0,0,2,0|2,0,0]=4 120 B6R0.2 C[C@H](O)CC(=O)[O-] DY791133 [0,0,0,0,2,0|2,0,0]=4