0 B5R0.5 CC(=O)N(C)C HY-W042416 [0,0,0,0,0,0|1,1,1]=3 1 B5R0.5 CC(N)C(=O)O HY-N2362 [0,0,0,0,0,0|2,1,1]=4 2 B5R0.5 CC(O)C(=O)O HY-B1530 [0,0,0,0,0,0|2,1,1]=4 3 B5R0.5 CC(O)C(=O)O HY-B2227 [0,0,0,0,0,0|2,1,1]=4 4 B5R0.5 CC(O)C(=O)O HY-B2227D [0,0,0,0,0,0|2,1,1]=4 5 B5R0.5 CC(O)C(=O)O HY-B2227R [0,0,0,0,0,0|2,1,1]=4 6 B5R0.5 CC(O)C(=O)O HY-W250313 [0,0,0,0,0,0|2,1,1]=4 7 B5R0.5 CC(O)C(=O)[O-] HY-B2227A [0,0,0,0,0,0|2,1,1]=4 8 B5R0.5 CC(O)C(=O)[O-] HY-B2227C [0,0,0,0,0,0|2,1,1]=4 9 B5R0.5 CC(O)C(C)O HY-128387 [0,0,0,0,0,0|1,1,0]=2 10 B5R0.5 CC(O)C(C)O HY-128387R [0,0,0,0,0,0|1,1,0]=2 11 B5R0.5 C[C@@H](O)[C@@H](C)O HY-W015954 [0,0,0,0,0,0|1,1,0]=2 12 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [0,0,0,0,0,0|2,1,1]=4 13 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [0,0,0,0,0,0|2,1,1]=4 14 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [0,0,0,0,0,0|2,1,1]=4 15 B5R0.5 [2H]N(C)C(C)=O HY-W020018S1 [0,0,0,0,0,0|2,1,1]=4 16 B4R0.1 CC(=O)CO HY-Y1366 [1,0,0,0,0,0|1,1,1]=4 17 B4R0.1 CC(C)=NO HY-W008840 [1,0,0,0,0,0|1,1,1]=4 18 B4R0.1 CC(O)CN HY-W015969 [1,0,0,0,0,0|1,1,0]=3 19 B4R0.1 CC(O)CO HY-Y0921 [1,0,0,0,0,0|1,1,0]=3 20 B4R0.1 CC[C@@H](C)O HY-W087952 [1,0,0,0,0,0|0,1,0]=2 21 B4R0.1 C[C@@H](N)CO HY-W010646 [1,0,0,0,0,0|1,1,0]=3 22 B4R0.1 C[C@@H](O)CN HY-W002295 [1,0,0,0,0,0|1,1,0]=3 23 B4R0.1 C[C@@H](O)CO HY-Z0031 [1,0,0,0,0,0|1,1,0]=3 24 B6R0.3 CC(C)[13C](=O)O[Na] HY-W021400S [0,1,0,0,0,0|1,1,1]=4 25 B6R0.3 CC(C)[C@H](N)CO HY-30167A [0,1,0,0,0,0|1,0,0]=2 26 B6R0.3 CC(CBr)C(=O)O HY-W015332 [0,1,0,0,0,0|1,1,1]=4 27 B6R0.3 CC(CN)C(=O)O HY-W012974 [0,1,0,0,0,0|1,1,1]=4 28 B6R0.3 CC(CN)C(=O)O HY-W012974R [0,1,0,0,0,0|1,1,1]=4 29 B6R0.3 CC(CO)C(=O)O HY-113126 [0,1,0,0,0,0|1,1,1]=4 30 B6R0.3 COC(=O)C(C)N HY-W010324 [0,1,0,0,0,0|1,1,1]=4 31 B6R0.3 COC(=O)[C@H](C)N HY-I0519 [0,1,0,0,0,0|1,1,1]=4 32 B6R0.3 CON(C)C(C)=O HY-W001095 [0,1,0,0,0,0|1,1,1]=4 33 B6R0.3 C[C@@H](CN)C(=O)O HY-113380 [0,1,0,0,0,0|1,1,1]=4 34 B6R0.3 C[C@@H](CN)C(=O)O HY-W023323 [0,1,0,0,0,0|1,1,1]=4 35 B6R0.3 [C@@H](C)(NC)C(=O)O HY-W015926 [0,1,0,0,0,0|1,1,1]=4 36 B6R0.3 [C@H](C)(N)C(=O)OC HY-W007986 [0,1,0,0,0,0|1,1,1]=4 37 B6R0.7 CC(C)(C)S(N)=O HY-34480 [0,1,0,0,0,0|2,1,0]=4 38 B6R0.7 CC(C)(C)[S@@](N)=O HY-40229 [0,1,0,0,0,0|2,1,0]=4 39 B6R0.7 CC(C)(C)[S@](N)=O HY-40228 [0,1,0,0,0,0|2,1,0]=4 40 B6R0.7 CC(C)(N)C(=O)O HY-Y0124 [0,1,0,0,0,0|1,1,1]=4 41 B6R0.7 CC(C)(O)C(=O)O HY-W015924 [0,1,0,0,0,0|1,1,1]=4 42 B6R1.11 O=C(O)C1CC1 HY-Y0001 [0,0,0,1,0,0|1,1,1]=4 43 B6R1.11 OB(O)C1CC1 HY-59219 [0,0,0,1,0,0|2,1,0]=4 44 B6R0.2 CC(C)CB(O)O HY-W000978 [0,0,0,0,0,1|2,1,0]=4 45 B6R0.2 CC(C)CC(=O)O HY-W012980 [0,0,0,0,0,1|1,1,1]=4 46 B6R0.2 CC(C)CC(N)=O HY-B1229 [0,0,0,0,0,1|1,1,1]=4 47 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [0,0,0,0,0,1|1,1,1]=4 48 B6R0.2 CC(C)SC(=N)N HY-101304 [0,0,0,0,0,1|2,0,1]=4 49 B6R0.2 CC(N)CN(C)C HY-32007 [0,0,0,0,0,1|2,0,0]=3 50 B6R0.2 CC(N)CN(C)C HY-32007A [0,0,0,0,0,1|2,0,0]=3 51 B3R0.1 CNNC HY-W460407 [2,0,0,0,0,0|2,0,0]=4 52 B3R0.1 CNOC HY-41074 [2,0,0,0,0,0|2,0,0]=4 53 B3R0.1 NCCO HY-W035903 [2,0,0,0,0,0|1,1,0]=4 54 B3R0.1 NCCS HY-77591 [2,0,0,0,0,0|1,0,0]=3 55 B3R0.1 OCCO HY-Y0338 [2,0,0,0,0,0|1,1,0]=4 56 B3R0.1 OCCO HY-Y0873A [2,0,0,0,0,0|1,1,0]=4 57 B3R0.1 OCCO HY-Y0873A1 [2,0,0,0,0,0|1,1,0]=4 58 B3R0.1 OCCO HY-Y0873B [2,0,0,0,0,0|1,1,0]=4 59 B3R0.1 OCCO HY-Y0873C [2,0,0,0,0,0|1,1,0]=4 60 B3R0.1 OCCO HY-Y0873E [2,0,0,0,0,0|1,1,0]=4 61 B3R0.1 OCCO HY-Y0873F [2,0,0,0,0,0|1,1,0]=4 62 B3R0.1 OCCO HY-Y0873G [2,0,0,0,0,0|1,1,0]=4 63 B3R0.1 OCCO HY-Y0873H [2,0,0,0,0,0|1,1,0]=4 64 B3R0.1 OCCO HY-Y0873I [2,0,0,0,0,0|1,1,0]=4 65 B3R0.1 OCCO HY-Y0873J [2,0,0,0,0,0|1,1,0]=4 66 B3R0.1 OCCO HY-Y0873K [2,0,0,0,0,0|1,1,0]=4 67 B3R0.1 OCCO HY-Y0873L [2,0,0,0,0,0|1,1,0]=4 68 B3R0.1 OCCO HY-Y0873M [2,0,0,0,0,0|1,1,0]=4 69 B3R0.1 OCCO HY-Y0873N [2,0,0,0,0,0|1,1,0]=4 70 B3R0.1 OCCO HY-Y0873O [2,0,0,0,0,0|1,1,0]=4 71 B3R0.1 OCCO HY-Y0873P [2,0,0,0,0,0|1,1,0]=4 72 B3R0.1 OCCO HY-Y0873Q [2,0,0,0,0,0|1,1,0]=4 73 B3R0.2 CC(C)[O-] HY-133023 [2,0,0,0,0,0|0,1,0]=3 74 B3R0.2 CN(C)C HY-Y0504 [2,0,0,0,0,0|1,0,0]=3 75 B3R0.2 CN(C)C HY-Y0504R [2,0,0,0,0,0|1,0,0]=3 76 B3R0.2 CS(C)=O HY-Y0320R [2,0,0,0,0,0|1,1,0]=4 77 B3R0.2 C[Cr](C)C HY-D1163 [2,0,0,0,0,0|1,0,0]=3 78 B3R0.2 [13CH3]N([13CH3])[13CH3] HY-W585905 [2,0,0,0,0,0|1,0,0]=3 79 B5R0.1 CC(=O)CCO HY-W051287 [1,1,0,0,0,0|0,1,1]=4 80 B5R0.1 CC(C)=CCO HY-W013035 [1,1,0,0,0,0|0,0,2]=4 81 B5R0.1 CC(N)CC#N HY-W018936 [1,1,0,0,0,0|1,0,1]=4 82 B5R0.1 CC(O)CCO HY-77490A [1,1,0,0,0,0|0,1,0]=3 83 B5R0.1 CN(C)CC=O HY-100061A [1,1,0,0,0,0|1,0,1]=4 84 B5R0.1 C[C@@H](O)CCO HY-77490 [1,1,0,0,0,0|0,1,0]=3 85 B5R0.3 CCC(=O)CO HY-W005327 [1,1,0,0,0,0|0,1,1]=4 86 B5R0.3 CCC(C)C=O HY-W020678 [1,1,0,0,0,0|0,0,1]=3 87 B5R0.3 NCC(O)CO HY-W002040 [1,1,0,0,0,0|1,1,0]=4 88 B5R0.3 NC[C@@H](O)CCl HY-W108649 [1,1,0,0,0,0|1,1,0]=4 89 B5R0.3 OC(CBr)CBr HY-W014092 [1,1,0,0,0,0|1,1,0]=4 90 B5R0.3 OCC(O)CO HY-B1659 [1,1,0,0,0,0|1,1,0]=4 91 B5R0.3 OCC(O)CO HY-B1659R [1,1,0,0,0,0|1,1,0]=4 92 B5R0.3 OCC(S)CS HY-B1285 [1,1,0,0,0,0|1,0,0]=3 93 B5R0.4 CC(C)(N)CO HY-W013027 [1,1,0,0,0,0|0,1,0]=3 94 B5R0.4 CC(C)(N)CO HY-W013027A [1,1,0,0,0,0|0,1,0]=3 95 B5R0.4 CC(C)(O)CN HY-33948 [1,1,0,0,0,0|1,0,0]=3 96 B5R0.4 CC[N+](C)(C)C HY-W101257 [1,1,0,0,0,0|1,0,0]=3 97 B5R0.4 CO[Si](C)(C)C HY-104035E [1,1,0,0,0,0|1,1,0]=4 98 B7R0.2 CCC(C)CC(C)N HY-W015593 [0,1,0,0,0,1|1,0,0]=3 99 B7R0.2 CCC(C)OC(C)=O HY-158759 [0,1,0,0,0,1|0,1,1]=4 100 B7R0.2 [C@H](N)(CO)CC(C)C HY-W012888 [0,1,0,0,0,1|1,0,0]=3 101 B7R0.9 CC(O)CC(C)(C)O HY-B0903 [0,1,0,0,0,1|0,1,0]=3 102 B7R0.9 CC(O)CC(C)(C)O HY-B0903R [0,1,0,0,0,1|0,1,0]=3 103 B7R0.10 OC[C@H](O)[C@H](O)CO HY-100551 [0,2,0,0,0,0|1,1,0]=4 104 B7R0.10 OC[C@H](O)[C@H](O)CO HY-100551R [0,2,0,0,0,0|1,1,0]=4 105 B7R0.10 O[C@@H](CS)[C@@H](O)CS HY-15917A [0,2,0,0,0,0|1,1,0]=4 106 B7R0.10 O[C@H](CS)[C@@H](O)CS HY-15916 [0,2,0,0,0,0|1,1,0]=4 107 B7R0.10 O[C@H](CS)[C@H](O)CS HY-15917 [0,2,0,0,0,0|1,1,0]=4 108 B7R0.10 [C@@H](O)(CO)[C@H](O)CO HY-W012846 [0,2,0,0,0,0|1,1,0]=4 109 B7R0.10 [C@H](C)(CC)[C@H](N)CO HY-W015875 [0,2,0,0,0,0|1,0,0]=3 110 B7R0.13 CC(C)C(C)(N)C#N HY-W040802 [0,2,0,0,0,0|1,0,0]=3 111 B7R0.15 COC(OC)C(C)=O HY-Y0872 [0,2,0,0,0,0|0,1,1]=4 112 B7R0.15 COC(OC)N(C)C HY-Y1078 [0,2,0,0,0,0|1,1,0]=4 113 B7R0.17 CC(C)(O)C(Cl)(Cl)Cl HY-B1263 [0,2,0,0,0,0|2,0,0]=4 114 B7R0.17 CC(C)(O)C(Cl)(Cl)Cl HY-W089856 [0,2,0,0,0,0|2,0,0]=4 115 B5R1.2 FC1CNC1 HY-W001606 [1,0,0,1,0,0|2,0,0]=4 116 B5R1.2 IC1COC1 HY-W016306 [1,0,0,1,0,0|1,1,0]=4 117 B5R1.2 OC1CCC1 HY-W013042 [1,0,0,1,0,0|0,1,0]=3 118 B5R1.2 OC1CNC1 HY-40144 [1,0,0,1,0,0|1,1,0]=4 119 B5R1.3 BrCC1CC1 HY-Y1100 [1,0,0,1,0,0|1,0,0]=3 120 B5R1.3 OCC1CO1 HY-Y1010 [1,0,0,1,0,0|1,1,0]=4 121 B7R1.2 CC1CCC(=O)O1 HY-W015938 [0,0,0,1,0,1|0,1,1]=4 122 B7R1.2 CN1CCC(O)C1 HY-I0708 [0,0,0,1,0,1|1,1,0]=4 123 B7R1.4 O[C@@H]1CNC[C@H]1F HY-W062336 [0,1,0,1,0,0|1,1,0]=4