0 B8R0.2 CCC(C)C(C([O-])=O)=O M10422004P [0,0,0,0,0,0|0,0,1]=1 1 B8R0.2 CC[C@@H](C)[C@H](N)C(O)=O M10031965P [0,0,0,0,0,0|1,0,1]=2 2 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O M10115315P [0,0,0,0,0,0|2,0,1]=3 3 B7R0.2 O=C(Cl)OC(C)CC M10149751P [1,0,0,0,0,0|2,0,0]=3 4 B7R0.2 O=C(O)CC(O)CN M10190010P [1,0,0,0,0,0|2,0,1]=4 5 B7R0.2 O=C(O)C[C@@H](O)CN M10100168P [1,0,0,0,0,0|2,0,1]=4 6 B7R0.5 CC(C(CCC)=O)=O M10058081P [1,0,0,0,0,0|1,0,0]=2 7 B7R0.5 CCCC(Br)C(O)=O M10014810P [1,0,0,0,0,0|1,0,1]=3 8 B7R0.5 CCCC(C)C(O)=O M10209692P [1,0,0,0,0,0|1,0,1]=3 9 B7R0.5 CC\C=C(C)\C(O)=O M10051561P [1,0,0,0,0,0|1,0,1]=3 10 B7R0.5 C[C@@H](O)C(OCC)=O M10109851P [1,0,0,0,0,0|2,0,1]=4 11 B7R0.5 O=C(O)C(Cl)COC M10045189P [1,0,0,0,0,0|2,0,1]=4 12 B7R0.5 O=C(O)C(F)CCN M10193859P [1,0,0,0,0,0|2,0,1]=4 13 B7R0.5 O=C(O)C(N)CCN M10024859P [1,0,0,0,0,0|2,0,1]=4 14 B7R0.5 O=C(O)C(OCC)=O M10016281P [1,0,0,0,0,0|1,0,0]=2 15 B7R0.5 O=C(O)[C@@H](N)COC M10217767P [1,0,0,0,0,0|2,0,1]=4 16 B7R0.5 O=C(O)[C@@H](N)COC M10861260P [1,0,0,0,0,0|2,0,1]=4 17 B7R0.5 O=C(O)[C@H](N)COC M10505436P [1,0,0,0,0,0|2,0,1]=4 18 B7R0.5 O=C(O)[C@H](N)COC M10505437P [1,0,0,0,0,0|2,0,1]=4 19 B7R0.5 O=C(OCC)C(N)=O M10016280P [1,0,0,0,0,0|2,0,0]=3 20 B7R0.10 CCC(C)C(C)C=O M10218111P [1,0,0,0,0,0|1,0,1]=3 21 B7R0.10 O=C([C@@H](O)CO)CO M10013403P [1,0,0,0,0,0|2,0,1]=4 22 B7R0.16 C=C(C)C(N(C)C)=O M12276663P [1,0,0,0,0,0|3,0,0]=4 23 B7R0.16 CC(C)C(C(O)=O)=O M10019964P [1,0,0,0,0,0|0,0,0]=1 24 B7R0.16 CC(C)C(C([O-])=O)=O M10057013P [1,0,0,0,0,0|0,0,1]=2 25 B7R0.16 CC(C)C(C([O-])=O)=O M10262012P [1,0,0,0,0,0|0,0,1]=2 26 B7R0.16 CC(C)[C@@H](N)C(N)=O M10736332P [1,0,0,0,0,0|2,0,1]=4 27 B7R0.16 CC(C)[C@H](C)C(O)=O M10134757P [1,0,0,0,0,0|1,0,1]=3 28 B7R0.16 O=C(O)C(N(C)C)=O M10218436P [1,0,0,0,0,0|1,0,0]=2 29 B9R0.6 CC(C(C(OCC)=O)=O)=O M10035324P [0,1,0,0,0,0|2,0,1]=4 30 B9R0.29 CC[C@H](C)[C@H](NC)C(O)=O M10060277P [0,1,0,0,0,0|1,0,1]=3 31 B9R0.41 CCC(CC)[C@@H](N)C(O)=O M10130394P [0,1,0,0,0,0|1,0,1]=3 32 B9R0.41 CCC(CC)[C@H](N)C(O)=O M10130389P [0,1,0,0,0,0|1,0,1]=3 33 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(O)=O M10112428P [0,1,0,0,0,0|2,0,1]=4 34 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(O)=O M10512441P [0,1,0,0,0,0|2,0,1]=4 35 B9R0.79 CC(O)[C@H](C)[C@H](N)C(O)=O M10955521P [0,1,0,0,0,0|1,0,1]=3 36 B9R0.79 N[C@@H]([C@@H](C)C(O)C)C(O)=O M10282294P [0,1,0,0,0,0|1,0,1]=3 37 B9R1.37 O=C1C(C(C)C(C)C1)=O M10124286P [0,0,0,1,0,0|1,0,0]=2 38 B9R1.41 O=C([C@H]1N(C)CCC1)O M10011652P [0,0,0,1,0,0|2,0,1]=4 39 B6R0.1 C=CC(NCC)=O M10081542P [2,0,0,0,0,0|2,0,0]=4 40 B6R0.1 C=CC(OCC)=O M10186126P [2,0,0,0,0,0|2,0,0]=4 41 B6R0.1 CCCC(C)C=O M10004549P [2,0,0,0,0,0|1,0,1]=4 42 B6R0.1 CCCC(NN)=O M10055378P [2,0,0,0,0,0|2,0,0]=4 43 B6R0.2 CC(N)CC(O)=O M10187780P [2,0,0,0,0,0|1,0,1]=4 44 B6R0.2 C[C@@H](O)CC(O)=O M10016803P [2,0,0,0,0,0|1,0,1]=4 45 B6R0.2 C[C@H](N)CC(O)=O M10057573P [2,0,0,0,0,0|1,0,1]=4 46 B6R0.2 C[C@H](N)CC(O)=O M10302309P [2,0,0,0,0,0|1,0,1]=4 47 B6R0.2 C[C@H](O)CC(O)=O M10084600P [2,0,0,0,0,0|1,0,1]=4 48 B6R0.2 O=C(Cl)C=C(C)C M10053608P [2,0,0,0,0,0|1,0,1]=4 49 B6R0.4 CC\C=C\C(O)=O M10016889P [2,0,0,0,0,0|0,0,1]=3 50 B6R0.4 CC\C=C\C([O-])=O M12008293P [2,0,0,0,0,0|0,0,2]=4 51 B6R0.4 O=C(O)CCCCl M10016891P [2,0,0,0,0,0|1,0,1]=4 52 B6R0.4 O=C(O)CCOC M10045190P [2,0,0,0,0,0|1,0,1]=4 53 B6R0.4 O=C(O)CCSC M10017612P [2,0,0,0,0,0|1,0,1]=4 54 B6R0.4 O=C(O)COCC M10016894P [2,0,0,0,0,0|1,0,1]=4 55 B6R0.4 O=C(O)\C=C\CBr M10127900P [2,0,0,0,0,0|1,0,1]=4 56 B6R0.4 O=[Sn](CCCC)O M10042008P [2,0,0,0,0,0|1,0,1]=4 57 B6R0.3 C=C(CBr)C(O)=O M10448395P [2,0,0,0,0,0|2,0,0]=4 58 B6R0.3 CC(C(CBr)=O)=O M10070633P [2,0,0,0,0,0|2,0,0]=4 59 B6R0.3 CC(C(S)CC)=O M10426560P [2,0,0,0,0,0|1,0,1]=4 60 B6R0.3 CC(C)C(OC)=O M10013809P [2,0,0,0,0,0|2,0,0]=4 61 B6R0.3 CC(NC)C(O)=O M10015418P [2,0,0,0,0,0|1,0,0]=3 62 B6R0.3 CC(OC)C(O)=O M10062023P [2,0,0,0,0,0|1,0,0]=3 63 B6R0.3 CCC(B(O)O)C M10538835P [2,0,0,0,0,0|1,0,1]=4 64 B6R0.3 CCC(Br)C(Br)=O M10192304P [2,0,0,0,0,0|2,0,0]=4 65 B6R0.3 CCC(C(O)=O)=C M10055842P [2,0,0,0,0,0|1,0,0]=3 66 B6R0.3 C[C@@H](NC)C(O)=O M10206333P [2,0,0,0,0,0|1,0,0]=3 67 B6R0.3 C\C(C(O)=O)=C\C M10014266P [2,0,0,0,0,0|0,0,2]=4 68 B6R0.3 N[C@@H](CS)C(O)=O M10201100P [2,0,0,0,0,0|2,0,0]=4 69 B6R0.3 N[C@H](CS)C(O)=O M10832565P [2,0,0,0,0,0|2,0,0]=4 70 B6R0.3 O=C(O)C(N)CS M10631134P [2,0,0,0,0,0|2,0,0]=4 71 B6R0.3 O=C(O)C(O)CCl M10035208P [2,0,0,0,0,0|2,0,0]=4 72 B6R0.3 O=C(O)[C@@H](N)CCl M10187309P [2,0,0,0,0,0|2,0,0]=4 73 B8R0.5 CC(OC(C)=O)COC M10497504P [1,1,0,0,0,0|2,0,0]=4 74 B8R0.3 C=C(CO)C(OCC)=O M10111430P [1,1,0,0,0,0|2,0,0]=4 75 B8R0.3 CCC(C(OCC)=O)=O M10139497P [1,1,0,0,0,0|2,0,0]=4 76 B8R0.3 CCCC(Br)C(OC)=O M10159141P [1,1,0,0,0,0|1,0,1]=4 77 B8R0.3 CCC[C@H](N)C(OC)=O M10289219P [1,1,0,0,0,0|1,0,1]=4 78 B8R0.3 O=C(OCC)C(NN)=O M10226438P [1,1,0,0,0,0|2,0,0]=4 79 B8R0.8 CC(O)C(OCCC)=O M10016208P [1,1,0,0,0,0|1,0,1]=4 80 B8R0.8 C[C@H](O)C(OCCC)=O M10271936P [1,1,0,0,0,0|1,0,1]=4 81 B8R0.8 O=C(O)C(Br)CCCBr M10030963P [1,1,0,0,0,0|1,0,1]=4 82 B8R0.8 O=C(O)C(O)CCSC M10014771P [1,1,0,0,0,0|0,0,2]=4 83 B8R0.8 O=C(O)[C@@H](N)CCCN M10000749P [1,1,0,0,0,0|1,0,1]=4 84 B8R0.8 O=C(O)[C@@H](N)CCCN M10312953P [1,1,0,0,0,0|1,0,1]=4 85 B8R0.20 C=CC(N(CC)CC)=O M10046633P [1,1,0,0,0,0|2,0,0]=4 86 B8R0.27 CC(C)(C)[C@@H](N)C(O)=O M10195289P [1,1,0,0,0,0|1,0,1]=4 87 B8R0.27 CC(C)(O)[C@@H](N)C(O)=O M10042100P [1,1,0,0,0,0|1,0,1]=4 88 B8R0.27 CC(C)(O)[C@H](N)C(O)=O M10042094P [1,1,0,0,0,0|1,0,1]=4 89 B8R0.37 CC(C)[C@@](C)(N)C(O)=O M10273652P [1,1,0,0,0,0|1,0,1]=4 90 B8R0.37 CC(C)[C@](C)(N)C(O)=O M10273653P [1,1,0,0,0,0|1,0,1]=4 91 B10R0.13 CC(C)C(Br)C(NC(N)=O)=O M10012291P [0,1,0,0,0,1|2,0,0]=4 92 B8R1.1 O=C1OCC(CO)O1 M10023416P [1,0,0,1,0,0|2,0,0]=4 93 B8R1.18 O=C1CC(C)C(C)C1 M10207594P [1,0,0,1,0,0|1,0,1]=4 94 B8R1.18 O=C1OC(O)C(C)=C1 M10244090P [1,0,0,1,0,0|1,0,1]=4 95 B8R1.7 O=C(C1=COCC1)O M10633740P [1,0,0,1,0,0|2,0,0]=4 96 B8R1.23 O=C(C1CC(C)C1)O M10293834P [1,0,0,1,0,0|1,0,1]=4 97 B8R1.54 O=C(O)C(C1CC1)=O M10127074P [1,0,0,1,0,0|0,0,0]=2 98 B8R1.78 O=C(C1(N)CCC1)O M10174204P [1,0,0,1,0,0|1,0,1]=4 99 B8R1.78 O=C(C1(N)CCC1)O M10633940P [1,0,0,1,0,0|1,0,1]=4 100 B8R1.38 O=C(C1CCC1)NC M10122966P [1,0,0,1,0,0|2,0,0]=4 101 B8R1.38 O=C(C1CCC1)OC M10020178P [1,0,0,1,0,0|2,0,0]=4 102 B8R1.50 O=C1C(C(C)CC1)=O M10020173P [1,0,0,1,0,0|0,0,0]=2 103 B8R1.77 O=C(C1C(C)(C)C1)O M10461324P [1,0,0,1,0,0|1,0,1]=4 104 B8R1.77 O=C([C@@H]1C(C)(C)C1)O M10132109P [1,0,0,1,0,0|1,0,1]=4 105 B10R1.475 O=C1NC(C(N1)(C)CC)=O M10145328P [0,0,0,1,0,1|1,0,0]=3 106 B10R1.113 O=C([C@@H]1NCC[C@@H](C)C1)O M10457687P [0,0,0,1,0,1|1,0,1]=4 107 B10R1.191 CC1C(C)C(C)=C(C)C1=O M10276748P [0,1,0,1,0,0|2,0,0]=4