0 B5R0.3 CCC(=O)O[Na] HY-B1773A [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 CCC(C)C=O HY-W020678 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.3 CC[13C](=O)O[Na] HY-B1773AS [0,0,0,0,0,0|3,0,1]=4 3 B5R0.3 CNC(=S)NC HY-W027951 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.3 COC(=O)CN HY-Y1789 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 CC(=O)O[K] HY-Y0319B [1,0,0,0,0,0|1,0,2]=4 6 B4R0.1 CC(=O)O[K] HY-Y0319B1 [1,0,0,0,0,0|1,0,2]=4 7 B4R0.1 CC(C)=NO HY-W008840 [1,0,0,0,0,0|2,0,1]=4 8 B4R0.1 CC(O)CN HY-W015969 [1,0,0,0,0,0|2,0,0]=3 9 B4R0.1 CC(O)CO HY-Y0921 [1,0,0,0,0,0|2,0,0]=3 10 B4R0.1 CC[C@@H](C)O HY-W087952 [1,0,0,0,0,0|1,0,0]=2 11 B4R0.1 COC(N)=O HY-Y1401 [1,0,0,0,0,0|1,0,2]=4 12 B4R0.1 C[C@@H](N)CO HY-W010646 [1,0,0,0,0,0|3,0,0]=4 13 B4R0.1 C[C@@H](O)CN HY-W002295 [1,0,0,0,0,0|2,0,0]=3 14 B4R0.1 C[C@@H](O)CO HY-Z0031 [1,0,0,0,0,0|2,0,0]=3 15 B4R0.1 O=[13C](O)O[Na] HY-W251598S [1,0,0,0,0,0|2,0,1]=4 16 B4R0.2 C=CCSC HY-128447 [1,0,0,0,0,0|1,1,1]=4 17 B4R0.2 CNCCO HY-Y1783 [1,0,0,0,0,0|3,0,0]=4 18 B4R0.2 COCCO HY-139415 [1,0,0,0,0,0|2,0,0]=3 19 B4R0.2 CSSSC HY-128454 [1,0,0,0,0,0|1,2,0]=4 20 B6R0.1 COC(=O)CCN HY-W007648 [0,1,0,0,0,0|2,0,1]=4 21 B6R0.1 COC(=O)CCO HY-42569 [0,1,0,0,0,0|2,0,1]=4 22 B6R0.1 COC(=O)OCCl HY-43384 [0,1,0,0,0,0|1,0,1]=3 23 B6R0.3 C=C(C)C(=O)OC HY-W391506 [0,1,0,0,0,0|2,0,1]=4 24 B6R0.3 COC(=O)C(C)N HY-W010324 [0,1,0,0,0,0|2,0,1]=4 25 B6R0.3 COC(=O)[C@H](C)N HY-I0519 [0,1,0,0,0,0|2,0,1]=4 26 B6R0.3 CON(C)C(C)=O HY-W001095 [0,1,0,0,0,0|2,0,0]=3 27 B6R0.3 [C@@H](C)(NC)C(=O)O HY-W015926 [0,1,0,0,0,0|3,0,0]=4 28 B6R0.3 [C@H](C)(N)C(=O)OC HY-W007986 [0,1,0,0,0,0|2,0,1]=4 29 B6R1.2 CN1CCCC1 HY-128383 [0,0,0,1,0,0|3,0,0]=4 30 B3R0.1 CNNC HY-W460407 [2,0,0,0,0,0|2,0,0]=4 31 B3R0.1 CNOC HY-41074 [2,0,0,0,0,0|1,0,0]=3 32 B3R0.1 NCCO HY-W035903 [2,0,0,0,0,0|2,0,0]=4 33 B3R0.1 O=[13CH]CO HY-146995S [2,0,0,0,0,0|2,0,0]=4 34 B3R0.1 OCCO HY-Y0338 [2,0,0,0,0,0|2,0,0]=4 35 B3R0.1 OCCO HY-Y0873A [2,0,0,0,0,0|2,0,0]=4 36 B3R0.1 OCCO HY-Y0873A1 [2,0,0,0,0,0|2,0,0]=4 37 B3R0.1 OCCO HY-Y0873B [2,0,0,0,0,0|2,0,0]=4 38 B3R0.1 OCCO HY-Y0873C [2,0,0,0,0,0|2,0,0]=4 39 B3R0.1 OCCO HY-Y0873E [2,0,0,0,0,0|2,0,0]=4 40 B3R0.1 OCCO HY-Y0873F [2,0,0,0,0,0|2,0,0]=4 41 B3R0.1 OCCO HY-Y0873G [2,0,0,0,0,0|2,0,0]=4 42 B3R0.1 OCCO HY-Y0873H [2,0,0,0,0,0|2,0,0]=4 43 B3R0.1 OCCO HY-Y0873I [2,0,0,0,0,0|2,0,0]=4 44 B3R0.1 OCCO HY-Y0873J [2,0,0,0,0,0|2,0,0]=4 45 B3R0.1 OCCO HY-Y0873K [2,0,0,0,0,0|2,0,0]=4 46 B3R0.1 OCCO HY-Y0873L [2,0,0,0,0,0|2,0,0]=4 47 B3R0.1 OCCO HY-Y0873M [2,0,0,0,0,0|2,0,0]=4 48 B3R0.1 OCCO HY-Y0873N [2,0,0,0,0,0|2,0,0]=4 49 B3R0.1 OCCO HY-Y0873O [2,0,0,0,0,0|2,0,0]=4 50 B3R0.1 OCCO HY-Y0873P [2,0,0,0,0,0|2,0,0]=4 51 B3R0.1 OCCO HY-Y0873Q [2,0,0,0,0,0|2,0,0]=4 52 B3R0.1 OOOP HY-Y1939A [2,0,0,0,0,0|2,0,0]=4 53 B3R0.2 CB(O)O HY-34449 [2,0,0,0,0,0|1,0,0]=3 54 B3R0.2 CC(=O)O HY-13443A [2,0,0,0,0,0|0,0,2]=4 55 B3R0.2 CC(=O)O HY-75153 [2,0,0,0,0,0|0,0,2]=4 56 B3R0.2 CC(=O)O HY-P0052A [2,0,0,0,0,0|0,0,2]=4 57 B3R0.2 CC(=O)O HY-W094353 [2,0,0,0,0,0|0,0,2]=4 58 B3R0.2 CC(=O)O HY-Y0849C [2,0,0,0,0,0|0,0,2]=4 59 B3R0.2 CC(C)[O-] HY-133023 [2,0,0,0,0,0|0,0,1]=3 60 B3R0.2 CN(C)C HY-Y0504 [2,0,0,0,0,0|1,0,0]=3 61 B3R0.2 CN(C)C HY-Y0504R [2,0,0,0,0,0|1,0,0]=3 62 B3R0.2 CS(C)=O HY-Y0320R [2,0,0,0,0,0|1,0,1]=4 63 B3R0.2 C[13C](=O)O HY-W772341 [2,0,0,0,0,0|0,0,2]=4 64 B3R0.2 C[Cr](C)C HY-D1163 [2,0,0,0,0,0|1,0,0]=3 65 B3R0.2 O[AlH3](O)O HY-B1521 [2,0,0,0,0,0|2,0,0]=4 66 B3R0.2 [13CH3]N([13CH3])[13CH3] HY-W585905 [2,0,0,0,0,0|1,0,0]=3 67 B5R0.1 CC(C)=CCO HY-W013035 [1,1,0,0,0,0|1,0,1]=4 68 B5R0.1 CC(O)CCO HY-77490A [1,1,0,0,0,0|1,0,0]=3 69 B5R0.1 COCC(=O)O HY-Y1009 [1,1,0,0,0,0|1,0,1]=4 70 B5R0.1 C[C@@H](O)CCO HY-77490 [1,1,0,0,0,0|1,0,0]=3 71 B5R0.4 CC(C)(N)CO HY-W013027 [1,1,0,0,0,0|2,0,0]=4 72 B5R0.4 CC(C)(N)CO HY-W013027A [1,1,0,0,0,0|2,0,0]=4 73 B5R0.4 CC(C)(O)CN HY-33948 [1,1,0,0,0,0|2,0,0]=4 74 B5R0.4 CC[N+](C)(C)C HY-W101257 [1,1,0,0,0,0|2,0,0]=4 75 B5R0.4 COS(C)(=O)=O HY-W004702 [1,1,0,0,0,0|1,0,1]=4 76 B5R0.4 COS(C)(=O)=O HY-W004702R [1,1,0,0,0,0|1,0,1]=4 77 B5R0.4 CO[Si](C)(C)C HY-104035E [1,1,0,0,0,0|0,1,0]=3 78 B5R0.5 CC(=O)N(C)C HY-W042416 [1,1,0,0,0,0|2,0,0]=4 79 B5R0.5 CC(O)C(=O)O HY-B1530 [1,1,0,0,0,0|2,0,0]=4 80 B5R0.5 CC(O)C(=O)O HY-B2227 [1,1,0,0,0,0|2,0,0]=4 81 B5R0.5 CC(O)C(=O)O HY-B2227D [1,1,0,0,0,0|2,0,0]=4 82 B5R0.5 CC(O)C(=O)O HY-B2227R [1,1,0,0,0,0|2,0,0]=4 83 B5R0.5 CC(O)C(=O)O HY-W250313 [1,1,0,0,0,0|2,0,0]=4 84 B5R0.5 CC(O)C(=O)[O-] HY-B2227A [1,1,0,0,0,0|2,0,0]=4 85 B5R0.5 CC(O)C(=O)[O-] HY-B2227C [1,1,0,0,0,0|2,0,0]=4 86 B5R0.5 CC(O)C(C)O HY-128387 [1,1,0,0,0,0|1,0,0]=3 87 B5R0.5 CC(O)C(C)O HY-128387R [1,1,0,0,0,0|1,0,0]=3 88 B5R0.5 C[C@@H](O)[C@@H](C)O HY-W015954 [1,1,0,0,0,0|1,0,0]=3 89 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [1,1,0,0,0,0|2,0,0]=4 90 B5R0.2 CCCSSC HY-N7436 [1,1,0,0,0,0|1,1,0]=4 91 B5R0.2 [2H]OCCO[2H] HY-Y0338S [1,1,0,0,0,0|2,0,0]=4 92 B7R0.2 CCC(C)CC(C)N HY-W015593 [0,2,0,0,0,0|2,0,0]=4 93 B7R0.2 CCC(C)OC(C)=O HY-158759 [0,2,0,0,0,0|1,0,0]=3 94 B7R0.3 CO\C=C\C(=O)OC HY-W007972 [0,2,0,0,0,0|1,0,1]=4 95 B7R0.10 [C@H](C)(CC)[C@H](N)CO HY-W015875 [0,2,0,0,0,0|2,0,0]=4 96 B7R0.15 COC(OC)C(C)=O HY-Y0872 [0,2,0,0,0,0|0,0,0]=2 97 B7R0.15 COC(OC)N(C)C HY-Y1078 [0,2,0,0,0,0|0,0,0]=2 98 B7R0.18 COP(=O)(OC)OC HY-A0108A [0,2,0,0,0,0|1,0,0]=3 99 B7R0.18 COP(=O)(OC)SC HY-30099 [0,2,0,0,0,0|1,0,0]=3 100 B5R1.2 O=C1CCO1 HY-107931 [1,0,0,1,0,0|0,0,2]=4 101 B5R1.2 OC1CCC1 HY-W013042 [1,0,0,1,0,0|1,0,0]=3 102 B5R1.2 OC1CNC1 HY-40144 [1,0,0,1,0,0|2,0,0]=4 103 B5R1.3 BrCC1CC1 HY-Y1100 [1,0,0,1,0,0|2,0,0]=4 104 B5R1.3 OCC1CO1 HY-Y1010 [1,0,0,1,0,0|2,0,0]=4 105 B7R1.1 NC[C@@H]1CCCO1 HY-W010600 [0,1,0,1,0,0|1,0,0]=3 106 B7R1.1 OC[C@@H]1CCCN1 HY-Y1126 [0,1,0,1,0,0|2,0,0]=4 107 B7R1.2 CC1CCC(=O)O1 HY-W015938 [0,1,0,1,0,0|1,0,1]=4 108 B7R1.3 CC1CCOCO1 HY-W111914 [0,1,0,1,0,0|1,0,0]=3 109 B7R1.3 C[C@@H]1CNCCN1 HY-34767 [0,1,0,1,0,0|2,0,0]=4