0 B5R0.3 CCC(=O)CO HY-W005327 [0,0,0,0,0,0|1,0,3]=4 1 B5R0.3 CCC(=O)O[Na] HY-B1773A [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 CCC(C)C=O HY-W020678 [0,0,0,0,0,0|0,0,0]=0 3 B5R0.3 CC[13C](=O)O[Na] HY-B1773AS [0,0,0,0,0,0|3,0,1]=4 4 B5R0.3 NCC(O)CO HY-W002040 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.3 NC[C@@H](O)CCl HY-W108649 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.3 O=CC(O)CO HY-128748 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.3 O=C[C@@H](O)CO HY-W008504 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.3 OC(CBr)CBr HY-W014092 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.3 OCC(O)CO HY-B1659 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.3 OCC(O)CO HY-B1659R [0,0,0,0,0,0|2,0,2]=4 11 B5R0.3 OCC(S)CS HY-B1285 [0,0,0,0,0,0|2,0,2]=4 12 B4R0.1 CC(=O)C=O HY-W020014 [1,0,0,0,0,0|1,0,1]=3 13 B4R0.1 CC(=O)CO HY-Y1366 [1,0,0,0,0,0|1,0,1]=3 14 B4R0.1 CC(=O)NBr HY-131899 [1,0,0,0,0,0|2,0,1]=4 15 B4R0.1 CC(=O)NO HY-B1235 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.1 CC(=O)O[K] HY-Y0319B [1,0,0,0,0,0|2,0,1]=4 17 B4R0.1 CC(=O)O[K] HY-Y0319B1 [1,0,0,0,0,0|2,0,1]=4 18 B4R0.1 CC(C)=NO HY-W008840 [1,0,0,0,0,0|1,0,2]=4 19 B4R0.1 CC(O)CN HY-W015969 [1,0,0,0,0,0|1,0,1]=3 20 B4R0.1 CC(O)CO HY-Y0921 [1,0,0,0,0,0|1,0,1]=3 21 B4R0.1 CC[C@@H](C)O HY-W087952 [1,0,0,0,0,0|0,0,1]=2 22 B4R0.1 COC(N)=O HY-Y1401 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 C[C@@H](N)CO HY-W010646 [1,0,0,0,0,0|2,0,0]=3 24 B4R0.1 C[C@@H](O)CN HY-W002295 [1,0,0,0,0,0|1,0,1]=3 25 B4R0.1 C[C@@H](O)CO HY-Z0031 [1,0,0,0,0,0|1,0,1]=3 26 B4R0.1 NC(=O)CBr HY-W007330 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.1 NC(=O)CCl HY-W010629 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 NC(=O)CI HY-34477 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 NCC(=O)O HY-Y0966 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 NCC(=O)O HY-Y0966R [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 NCC(N)=O HY-Y1123 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.1 NC[13C](=O)O HY-Y0966S4 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.1 N[13CH2]C(=O)O HY-Y0966S2 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.1 N[13CH2][13C](=O)O HY-Y0966S3 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.1 O=C(O)CO HY-W015967 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.1 O=CC(=O)O HY-79494 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.1 O=C[Pb](=O)O HY-Y1877 [1,0,0,0,0,0|3,0,0]=4 38 B4R0.1 O=[N+]([O-])CBr HY-131120 [1,0,0,0,0,0|3,0,0]=4 39 B4R0.1 [15NH2]CC(=O)O HY-Y0966S [1,0,0,0,0,0|2,0,1]=4 40 B4R0.2 BrCCCBr HY-Y1806 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.2 C#CCCO HY-W001947 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.2 C=CCCN HY-W019321 [1,0,0,0,0,0|2,0,0]=3 43 B4R0.2 C=CCSC HY-128447 [1,0,0,0,0,0|2,0,0]=3 44 B4R0.2 CNCCO HY-Y1783 [1,0,0,0,0,0|1,0,2]=4 45 B4R0.2 COCCO HY-139415 [1,0,0,0,0,0|1,0,2]=4 46 B4R0.2 NCCCO HY-Y0139 [1,0,0,0,0,0|1,0,2]=4 47 B4R0.2 O=CCCO HY-N8461 [1,0,0,0,0,0|1,0,0]=2 48 B4R0.2 O=COO[K] HY-Y1220D [1,0,0,0,0,0|3,0,0]=4 49 B4R0.2 O=COO[K] HY-Y1220J [1,0,0,0,0,0|3,0,0]=4 50 B4R0.2 O=COO[Na] HY-ER013C [1,0,0,0,0,0|3,0,0]=4 51 B4R0.2 O=COO[Na] HY-W251598B [1,0,0,0,0,0|3,0,0]=4 52 B4R0.2 O=COO[Na] HY-W251598C [1,0,0,0,0,0|3,0,0]=4 53 B4R0.2 OCCCBr HY-W007337 [1,0,0,0,0,0|1,0,2]=4 54 B4R0.2 OCCCO HY-W017758 [1,0,0,0,0,0|1,0,2]=4 55 B4R0.2 OCCCS HY-W090210 [1,0,0,0,0,0|1,0,2]=4 56 B6R0.3 CC(=O)\C(C)=N\O HY-Y0413 [0,1,0,0,0,0|2,0,1]=4 57 B6R0.3 CC(C)[C@H](N)CO HY-30167A [0,1,0,0,0,0|1,0,2]=4 58 B6R0.3 CC(CBr)C(=O)O HY-W015332 [0,1,0,0,0,0|1,0,0]=2 59 B6R0.3 CC(CN)C(=O)O HY-W012974 [0,1,0,0,0,0|1,0,0]=2 60 B6R0.3 CC(CN)C(=O)O HY-W012974R [0,1,0,0,0,0|1,0,0]=2 61 B6R0.3 CC(CO)C(=O)O HY-113126 [0,1,0,0,0,0|1,0,0]=2 62 B6R0.3 CCC(=O)C(=O)O HY-W007926 [0,1,0,0,0,0|1,0,1]=3 63 B6R0.3 CCC(=O)C(=O)O HY-W007926R [0,1,0,0,0,0|1,0,1]=3 64 B6R0.3 CCC(=O)C(C)=O HY-W012998 [0,1,0,0,0,0|1,0,1]=3 65 B6R0.3 CCC(N)C(=O)O HY-W010590 [0,1,0,0,0,0|1,0,0]=2 66 B6R0.3 CCC(O)C(=O)O HY-113381 [0,1,0,0,0,0|1,0,0]=2 67 B6R0.3 CC[C@@H](N)C(=O)O HY-Y0127 [0,1,0,0,0,0|1,0,0]=2 68 B6R0.3 CC[C@H](N)C(N)=O HY-79491 [0,1,0,0,0,0|1,0,0]=2 69 B6R0.3 CC[C@H](O)C(=O)O HY-W018499 [0,1,0,0,0,0|1,0,0]=2 70 B6R0.3 CON(C)C(C)=O HY-W001095 [0,1,0,0,0,0|2,0,0]=3 71 B6R0.3 C[C@@H](CN)C(=O)O HY-113380 [0,1,0,0,0,0|1,0,0]=2 72 B6R0.3 C[C@@H](CN)C(=O)O HY-W023323 [0,1,0,0,0,0|1,0,0]=2 73 B6R0.3 C\C=C(/C)C(=O)O HY-W012999 [0,1,0,0,0,0|0,0,2]=3 74 B6R0.3 NC(=O)[C@@H](N)CO HY-W008254 [0,1,0,0,0,0|2,0,0]=3 75 B6R0.3 NC(CO)C(=O)O HY-Y0507 [0,1,0,0,0,0|2,0,0]=3 76 B6R0.3 NC(CS)C(=O)O HY-W013651 [0,1,0,0,0,0|2,0,0]=3 77 B6R0.3 NC(CS)C(=O)O HY-W016716 [0,1,0,0,0,0|2,0,0]=3 78 B6R0.3 NCC(N)C(=O)O HY-W013674 [0,1,0,0,0,0|2,0,0]=3 79 B6R0.3 NC[C@@H](N)C(=O)O HY-W010312 [0,1,0,0,0,0|2,0,0]=3 80 B6R0.3 NC[C@H](N)C(=O)O HY-W013673 [0,1,0,0,0,0|2,0,0]=3 81 B6R0.3 N[13C@@H]([13CH2]O)[13C](=O)O HY-N0650S [0,1,0,0,0,0|2,0,0]=3 82 B6R0.3 N[C@@H](CCl)C(=O)O HY-107373 [0,1,0,0,0,0|2,0,0]=3 83 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650 [0,1,0,0,0,0|2,0,0]=3 84 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650R [0,1,0,0,0,0|2,0,0]=3 85 B6R0.3 N[C@@H](CO)[13C](=O)O HY-N0650S2 [0,1,0,0,0,0|2,0,0]=3 86 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715 [0,1,0,0,0,0|2,0,0]=3 87 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715R [0,1,0,0,0,0|2,0,0]=3 88 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337 [0,1,0,0,0,0|2,0,0]=3 89 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337A [0,1,0,0,0,0|2,0,0]=3 90 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337R [0,1,0,0,0,0|2,0,0]=3 91 B6R0.3 N[C@H](CCl)C(=O)O HY-W015457 [0,1,0,0,0,0|2,0,0]=3 92 B6R0.3 N[C@H](CO)C(=O)O HY-100808 [0,1,0,0,0,0|2,0,0]=3 93 B6R0.3 N[C@H](CS)C(=O)O HY-W002074 [0,1,0,0,0,0|2,0,0]=3 94 B6R0.3 N[C@H](CS)C(=O)O HY-W018555 [0,1,0,0,0,0|2,0,0]=3 95 B6R0.3 N[C@H](CS)C(=O)O HY-W055811 [0,1,0,0,0,0|2,0,0]=3 96 B6R0.3 O=C(O)C(=O)CBr HY-19992 [0,1,0,0,0,0|2,0,1]=4 97 B6R0.3 O=C(O)C(O)CO HY-W018035 [0,1,0,0,0,0|2,0,0]=3 98 B6R0.3 [C@@H](C)(NC)C(=O)O HY-W015926 [0,1,0,0,0,0|1,0,0]=2 99 B6R0.3 [C@H](N)(CC)C(=O)O HY-W010589 [0,1,0,0,0,0|1,0,0]=2 100 B6R0.3 [C@H](O)(CN)C(=O)O HY-W012967 [0,1,0,0,0,0|2,0,0]=3 101 B6R0.8 CC(N)(CO)CO HY-W017054 [0,1,0,0,0,0|1,0,2]=4 102 B6R0.9 CCN(CC)N=O HY-N7434 [0,1,0,0,0,0|2,0,0]=3 103 B6R1.2 CN1CCCC1 HY-128383 [0,0,0,1,0,0|2,0,1]=4 104 B6R1.2 F[C@@H]1CCNC1 HY-40421 [0,0,0,1,0,0|2,0,1]=4 105 B6R1.2 O=C1C=CCC1 HY-W010643 [0,0,0,1,0,0|2,0,1]=4 106 B6R1.2 O[C@H]1CCOC1 HY-76476 [0,0,0,1,0,0|1,0,2]=4 107 B6R1.6 OCC1CNC1 HY-21336 [0,0,0,1,0,0|1,0,2]=4 108 B6R1.6 OCC1COC1 HY-W004925 [0,0,0,1,0,0|1,0,2]=4 109 B3R0.1 C(=O)ON HY-Y0488A [2,0,0,0,0,0|2,0,0]=4 110 B3R0.1 CNNC HY-W460407 [2,0,0,0,0,0|2,0,0]=4 111 B3R0.1 CNOC HY-41074 [2,0,0,0,0,0|2,0,0]=4 112 B3R0.1 NCCO HY-W035903 [2,0,0,0,0,0|1,0,1]=4 113 B3R0.1 NCCS HY-77591 [2,0,0,0,0,0|1,1,0]=4 114 B3R0.1 O=[13CH]CO HY-146995S [2,0,0,0,0,0|1,0,0]=3 115 B3R0.1 OCCO HY-Y0338 [2,0,0,0,0,0|1,0,1]=4 116 B3R0.1 OCCO HY-Y0873A [2,0,0,0,0,0|1,0,1]=4 117 B3R0.1 OCCO HY-Y0873A1 [2,0,0,0,0,0|1,0,1]=4 118 B3R0.1 OCCO HY-Y0873B [2,0,0,0,0,0|1,0,1]=4 119 B3R0.1 OCCO HY-Y0873C [2,0,0,0,0,0|1,0,1]=4 120 B3R0.1 OCCO HY-Y0873E [2,0,0,0,0,0|1,0,1]=4 121 B3R0.1 OCCO HY-Y0873F [2,0,0,0,0,0|1,0,1]=4 122 B3R0.1 OCCO HY-Y0873G [2,0,0,0,0,0|1,0,1]=4 123 B3R0.1 OCCO HY-Y0873H [2,0,0,0,0,0|1,0,1]=4 124 B3R0.1 OCCO HY-Y0873I [2,0,0,0,0,0|1,0,1]=4 125 B3R0.1 OCCO HY-Y0873J [2,0,0,0,0,0|1,0,1]=4 126 B3R0.1 OCCO HY-Y0873K [2,0,0,0,0,0|1,0,1]=4 127 B3R0.1 OCCO HY-Y0873L [2,0,0,0,0,0|1,0,1]=4 128 B3R0.1 OCCO HY-Y0873M [2,0,0,0,0,0|1,0,1]=4 129 B3R0.1 OCCO HY-Y0873N [2,0,0,0,0,0|1,0,1]=4 130 B3R0.1 OCCO HY-Y0873O [2,0,0,0,0,0|1,0,1]=4 131 B3R0.1 OCCO HY-Y0873P [2,0,0,0,0,0|1,0,1]=4 132 B3R0.1 OCCO HY-Y0873Q [2,0,0,0,0,0|1,0,1]=4 133 B3R0.2 CC(=O)O HY-13443A [2,0,0,0,0,0|1,0,1]=4 134 B3R0.2 CC(=O)O HY-75153 [2,0,0,0,0,0|1,0,1]=4 135 B3R0.2 CC(=O)O HY-P0052A [2,0,0,0,0,0|1,0,1]=4 136 B3R0.2 CC(=O)O HY-W094353 [2,0,0,0,0,0|1,0,1]=4 137 B3R0.2 CC(=O)O HY-Y0849C [2,0,0,0,0,0|1,0,1]=4 138 B3R0.2 CC(C)[O-] HY-133023 [2,0,0,0,0,0|0,0,1]=3 139 B3R0.2 CC(N)=O HY-Y0946 [2,0,0,0,0,0|1,0,1]=4 140 B3R0.2 CN(C)C HY-Y0504 [2,0,0,0,0,0|1,0,1]=4 141 B3R0.2 CN(C)C HY-Y0504R [2,0,0,0,0,0|1,0,1]=4 142 B3R0.2 CS(C)=O HY-Y0320R [2,0,0,0,0,0|1,0,0]=3 143 B3R0.2 C[13C](=O)O HY-W772341 [2,0,0,0,0,0|1,0,1]=4 144 B3R0.2 C[Cr](C)C HY-D1163 [2,0,0,0,0,0|1,0,1]=4 145 B3R0.2 [13CH3]N([13CH3])[13CH3] HY-W585905 [2,0,0,0,0,0|1,0,1]=4 146 B5R0.1 CC(=O)CCO HY-W051287 [1,1,0,0,0,0|0,0,1]=3 147 B5R0.1 CC(=O)NCO HY-W024564 [1,1,0,0,0,0|1,0,1]=4 148 B5R0.1 CC(C)=CC=O HY-34409 [1,1,0,0,0,0|0,0,1]=3 149 B5R0.1 CC(C)=CCO HY-W013035 [1,1,0,0,0,0|0,0,2]=4 150 B5R0.1 CC(N)CC#N HY-W018936 [1,1,0,0,0,0|1,0,1]=4 151 B5R0.1 CC(O)CCO HY-77490A [1,1,0,0,0,0|0,0,1]=3 152 B5R0.1 CCCC(N)=O HY-W088319 [1,1,0,0,0,0|1,0,1]=4 153 B5R0.1 CCOC(N)=O HY-B1207 [1,1,0,0,0,0|1,0,1]=4 154 B5R0.1 CCOC(N)=O HY-B1207R [1,1,0,0,0,0|1,0,1]=4 155 B5R0.1 CN(C)CC=O HY-100061A [1,1,0,0,0,0|1,0,0]=3 156 B5R0.1 CNCC(=O)O HY-101037 [1,1,0,0,0,0|1,0,1]=4 157 B5R0.1 CNCC(=O)O HY-101037R [1,1,0,0,0,0|1,0,1]=4 158 B5R0.1 COCC(=O)O HY-Y1009 [1,1,0,0,0,0|1,0,1]=4 159 B5R0.1 C[C@@H](O)CCO HY-77490 [1,1,0,0,0,0|0,0,1]=3 160 B5R0.1 NCCC(=O)O HY-N0230 [1,1,0,0,0,0|1,0,1]=4 161 B5R0.1 NCCS(=O)O HY-100803 [1,1,0,0,0,0|2,0,0]=4 162 B5R0.4 CC(C)(N)CO HY-W013027 [1,1,0,0,0,0|0,0,2]=4 163 B5R0.4 CC(C)(N)CO HY-W013027A [1,1,0,0,0,0|0,0,2]=4 164 B5R0.4 CC(C)(O)CN HY-33948 [1,1,0,0,0,0|1,0,1]=4 165 B5R0.4 CC[N+](C)(C)C HY-W101257 [1,1,0,0,0,0|1,0,1]=4 166 B5R0.4 COS(C)(=O)=O HY-W004702 [1,1,0,0,0,0|2,0,0]=4 167 B5R0.4 COS(C)(=O)=O HY-W004702R [1,1,0,0,0,0|2,0,0]=4 168 B5R0.5 C=C(C)C(N)=O HY-W020027 [1,1,0,0,0,0|0,0,2]=4 169 B5R0.5 CC(=O)C(=O)O HY-Y0781 [1,1,0,0,0,0|1,0,1]=4 170 B5R0.5 CC(=O)C(=O)O HY-Y0781R [1,1,0,0,0,0|1,0,1]=4 171 B5R0.5 CC(=O)N(C)C HY-W042416 [1,1,0,0,0,0|1,0,0]=3 172 B5R0.5 CC(=O)[13C](=O)O HY-Y0781S1 [1,1,0,0,0,0|1,0,1]=4 173 B5R0.5 CC(N)C(=O)O HY-N2362 [1,1,0,0,0,0|1,0,0]=3 174 B5R0.5 CC(O)C(=O)O HY-B1530 [1,1,0,0,0,0|1,0,0]=3 175 B5R0.5 CC(O)C(=O)O HY-B2227 [1,1,0,0,0,0|1,0,0]=3 176 B5R0.5 CC(O)C(=O)O HY-B2227D [1,1,0,0,0,0|1,0,0]=3 177 B5R0.5 CC(O)C(=O)O HY-B2227R [1,1,0,0,0,0|1,0,0]=3 178 B5R0.5 CC(O)C(=O)O HY-W250313 [1,1,0,0,0,0|1,0,0]=3 179 B5R0.5 CC(O)C(=O)[O-] HY-B2227A [1,1,0,0,0,0|1,0,0]=3 180 B5R0.5 CC(O)C(=O)[O-] HY-B2227C [1,1,0,0,0,0|1,0,0]=3 181 B5R0.5 CC(O)C(C)O HY-128387 [1,1,0,0,0,0|0,0,1]=3 182 B5R0.5 CC(O)C(C)O HY-128387R [1,1,0,0,0,0|0,0,1]=3 183 B5R0.5 C[C@@H](O)[C@@H](C)O HY-W015954 [1,1,0,0,0,0|0,0,1]=3 184 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [1,1,0,0,0,0|1,0,0]=3 185 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [1,1,0,0,0,0|1,0,0]=3 186 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [1,1,0,0,0,0|1,0,0]=3 187 B5R0.5 NC(=O)C(Br)Br HY-133665 [1,1,0,0,0,0|2,0,0]=4 188 B5R0.5 O=C(O)C(Br)Br HY-23399 [1,1,0,0,0,0|2,0,0]=4 189 B5R0.5 O=C(O)C(O)O HY-W019724 [1,1,0,0,0,0|2,0,0]=4 190 B5R0.5 [2H]N(C)C(C)=O HY-W020018S1 [1,1,0,0,0,0|1,0,1]=4 191 B5R0.2 C#CCCCO HY-W010642 [1,1,0,0,0,0|1,0,1]=4 192 B5R0.2 CCCSSC HY-N7436 [1,1,0,0,0,0|1,1,0]=4 193 B5R0.2 CCSCCCl HY-W199190 [1,1,0,0,0,0|1,0,1]=4 194 B5R0.2 CC\C=C/CO HY-W030347 [1,1,0,0,0,0|0,0,2]=4 195 B5R0.2 CC\C=C\C=O HY-W111375 [1,1,0,0,0,0|0,0,1]=3 196 B5R0.2 NCCCCO HY-W002041 [1,1,0,0,0,0|0,0,2]=4 197 B7R0.2 CCC(C)CC(=O)O HY-W010513 [0,2,0,0,0,0|0,0,0]=2 198 B7R0.2 CCC(C)CC(=O)O HY-W010513R [0,2,0,0,0,0|0,0,0]=2 199 B7R0.2 CCC(C)CC(C)N HY-W015593 [0,2,0,0,0,0|1,0,1]=4 200 B7R0.2 CCC(C)OC(C)=O HY-158759 [0,2,0,0,0,0|0,0,0]=2 201 B7R0.2 CCC(O)CC(=O)O HY-113004 [0,2,0,0,0,0|1,0,0]=3 202 B7R0.2 NCC(O)CC(=O)O HY-B1427 [0,2,0,0,0,0|2,0,0]=4 203 B7R0.2 N[C@@H](CO)CC(=O)O HY-W006063 [0,2,0,0,0,0|2,0,0]=4 204 B7R0.5 C#CCC(N)C(=O)O HY-W040124 [0,2,0,0,0,0|1,0,1]=4 205 B7R0.5 C=CCC(C)C(=O)O HY-W012922 [0,2,0,0,0,0|0,0,1]=3 206 B7R0.5 C=CC[C@H](N)C(=O)O HY-W015595 [0,2,0,0,0,0|1,0,1]=4 207 B7R0.5 CCCC(=O)C(=O)O HY-113098 [0,2,0,0,0,0|1,0,1]=4 208 B7R0.5 CCCC(C)C(=O)O HY-W010516 [0,2,0,0,0,0|0,0,0]=2 209 B7R0.5 CCCC(N)C(=O)O HY-W010510 [0,2,0,0,0,0|1,0,0]=3 210 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [0,2,0,0,0,0|1,0,0]=3 211 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [0,2,0,0,0,0|1,0,0]=3 212 B7R0.5 CCOC(=O)C(C)=O HY-Y1362 [0,2,0,0,0,0|1,0,1]=4 213 B7R0.5 CC\C=C(/C)C(=O)O HY-W010533 [0,2,0,0,0,0|0,0,1]=3 214 B7R0.5 CNC[C@H](N)C(=O)O HY-W015546 [0,2,0,0,0,0|1,0,0]=3 215 B7R0.5 CSC[C@H](N)C(=O)O HY-B2188 [0,2,0,0,0,0|1,0,0]=3 216 B7R0.5 C[Se]C[C@H](N)C(=O)O HY-114245 [0,2,0,0,0,0|1,0,0]=3 217 B7R0.5 N#CC[C@H](N)C(=O)O HY-125773 [0,2,0,0,0,0|1,0,1]=4 218 B7R0.5 NC(CCO)C(=O)O HY-W012870 [0,2,0,0,0,0|1,0,0]=3 219 B7R0.5 NC(CCS)C(=O)O HY-W040821 [0,2,0,0,0,0|1,0,0]=3 220 B7R0.5 NCC[C@H](N)C(=O)O HY-101414 [0,2,0,0,0,0|1,0,0]=3 221 B7R0.5 NCC[C@H](N)C(=O)O HY-101414A [0,2,0,0,0,0|1,0,0]=3 222 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292 [0,2,0,0,0,0|1,0,0]=3 223 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292R [0,2,0,0,0,0|1,0,0]=3 224 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347 [0,2,0,0,0,0|1,0,0]=3 225 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347R [0,2,0,0,0,0|1,0,0]=3 226 B7R0.5 N[C@H](CCO)C(=O)O HY-W010499 [0,2,0,0,0,0|1,0,0]=3 227 B7R0.5 [C@@H](N)(CC=C)C(=O)O HY-W012907 [0,2,0,0,0,0|1,0,1]=4 228 B7R0.5 [C@H](N)(CCN)C(=O)O HY-W010018 [0,2,0,0,0,0|1,0,0]=3 229 B7R0.10 CCC(=O)C(=O)O[Na] HY-W005355 [0,2,0,0,0,0|1,0,1]=4 230 B7R0.10 CCC(O)C(=O)O[Na] HY-W012790 [0,2,0,0,0,0|1,0,0]=3 231 B7R0.10 COC(=O)C(N)CO HY-W013622 [0,2,0,0,0,0|2,0,0]=4 232 B7R0.10 COC(=O)[C@@H](N)CO HY-32687A [0,2,0,0,0,0|2,0,0]=4 233 B7R0.10 COC(=O)[C@@H](N)CS HY-B1038 [0,2,0,0,0,0|2,0,0]=4 234 B7R0.10 COC(=O)[C@H](N)CS HY-W018865 [0,2,0,0,0,0|2,0,0]=4 235 B7R0.10 NC(CO)C(=O)NO HY-131894 [0,2,0,0,0,0|2,0,0]=4 236 B7R0.10 O=C(CO)[C@@H](O)CO HY-W441330 [0,2,0,0,0,0|2,0,0]=4 237 B7R0.10 O=C[C@H](O)[C@H](O)CO HY-116956 [0,2,0,0,0,0|1,0,0]=3 238 B7R0.10 [C@@H](N)(CO)C(=O)OC HY-W015533 [0,2,0,0,0,0|2,0,0]=4 239 B7R0.10 [C@H](C)(CC)[C@H](N)CO HY-W015875 [0,2,0,0,0,0|0,0,2]=4 240 B7R0.13 CC(C)C(C)(N)C#N HY-W040802 [0,2,0,0,0,0|1,0,1]=4 241 B7R0.13 CCC(C)(C)C(=O)O HY-W015881 [0,2,0,0,0,0|0,0,0]=2 242 B7R0.13 CCC(C)(O)C(=O)O HY-W015874 [0,2,0,0,0,0|0,0,0]=2 243 B7R0.13 CC[C@](C)(N)C(=O)O HY-W018850 [0,2,0,0,0,0|0,0,0]=2 244 B7R0.13 CNC(C)(C)C(=O)O HY-134452 [0,2,0,0,0,0|1,0,0]=3 245 B7R0.13 C[C@](N)(CO)C(=O)O HY-W008467 [0,2,0,0,0,0|1,0,0]=3 246 B7R0.15 CCC(CC)C(=O)O HY-W004154 [0,2,0,0,0,0|0,0,0]=2 247 B7R0.15 CCN(N=O)C(N)=O HY-W019815 [0,2,0,0,0,0|2,0,0]=4 248 B7R0.15 COC(OC)C(C)=O HY-Y0872 [0,2,0,0,0,0|1,0,0]=3 249 B7R0.15 [C@@H](CO)(NC)C(=O)O HY-W012872 [0,2,0,0,0,0|1,0,0]=3 250 B7R0.16 CC(C(=O)O)C(=O)O HY-103395 [0,2,0,0,0,0|1,0,1]=4 251 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057 [0,2,0,0,0,0|1,0,1]=4 252 B7R0.16 CC(C)C(N)C(=O)O HY-W012889 [0,2,0,0,0,0|1,0,0]=3 253 B7R0.16 CC(C)C(O)C(=O)O HY-W008150 [0,2,0,0,0,0|1,0,0]=3 254 B7R0.16 CC(C)[C@@H](N)C(=O)O HY-N0717A [0,2,0,0,0,0|1,0,0]=3 255 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717 [0,2,0,0,0,0|1,0,0]=3 256 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717R [0,2,0,0,0,0|1,0,0]=3 257 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O HY-W001959 [0,2,0,0,0,0|1,0,0]=3 258 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658 [0,2,0,0,0,0|1,0,0]=3 259 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658A [0,2,0,0,0,0|1,0,0]=3 260 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658R [0,2,0,0,0,0|1,0,0]=3 261 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(=O)O HY-N0658S [0,2,0,0,0,0|1,0,0]=3 262 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O HY-W012874 [0,2,0,0,0,0|1,0,0]=3 263 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315 [0,2,0,0,0,0|1,0,0]=3 264 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315R [0,2,0,0,0,0|1,0,0]=3 265 B5R1.2 FC1CNC1 HY-W001606 [1,0,0,1,0,0|2,0,0]=4 266 B5R1.2 IC1COC1 HY-W016306 [1,0,0,1,0,0|2,0,0]=4 267 B5R1.2 O=C1CCO1 HY-107931 [1,0,0,1,0,0|1,0,1]=4 268 B5R1.2 O=C1COC1 HY-76440 [1,0,0,1,0,0|1,0,1]=4 269 B5R1.2 OC1CCC1 HY-W013042 [1,0,0,1,0,0|0,0,1]=3 270 B5R1.2 OC1CNC1 HY-40144 [1,0,0,1,0,0|1,0,1]=4 271 B5R1.3 BrCC1CC1 HY-Y1100 [1,0,0,1,0,0|1,0,1]=4 272 B5R1.3 OCC1CO1 HY-Y1010 [1,0,0,1,0,0|1,0,1]=4 273 B7R1.1 NC[C@@H]1CCCO1 HY-W010600 [0,1,0,1,0,0|1,0,1]=4 274 B7R1.1 OC[C@@H]1CCCN1 HY-Y1126 [0,1,0,1,0,0|0,0,2]=4 275 B7R1.1 OC[C@@H]1CCNC1 HY-60263 [0,1,0,1,0,0|0,0,2]=4 276 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [0,1,0,1,0,0|0,0,1]=3 277 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [0,1,0,1,0,0|0,0,2]=4 278 B7R1.2 CC1CCC(=O)O1 HY-W015938 [0,1,0,1,0,0|0,0,0]=2 279 B7R1.2 O=C1CCC(=O)C1 HY-75355 [0,1,0,1,0,0|1,0,1]=4 280 B7R1.2 O=C1CCC(=O)N1 HY-41877 [0,1,0,1,0,0|1,0,1]=4 281 B7R1.2 O=C1CCC(=O)O1 HY-79369 [0,1,0,1,0,0|1,0,1]=4 282 B7R1.2 O=C1C[C@H](O)CN1 HY-W002597 [0,1,0,1,0,0|2,0,0]=4 283 B7R1.3 CC1CCOCO1 HY-W111914 [0,1,0,1,0,0|0,0,2]=4 284 B7R1.3 C[C@@H]1CNCCN1 HY-34767 [0,1,0,1,0,0|1,0,1]=4 285 B7R1.4 CN1CCCC1=O HY-Y1275 [0,1,0,1,0,0|1,0,0]=3 286 B7R1.4 CN1CCNC1=O HY-W005507 [0,1,0,1,0,0|1,0,0]=3 287 B7R1.4 NC1CCSC1=O HY-101404 [0,1,0,1,0,0|1,0,0]=3 288 B7R1.4 N[C@@H]1CONC1=O HY-B0030 [0,1,0,1,0,0|2,0,0]=4 289 B7R1.4 N[C@@H]1CONC1=O HY-B0030R [0,1,0,1,0,0|2,0,0]=4 290 B7R1.4 N[C@H]1CCSC1=O HY-101404A [0,1,0,1,0,0|1,0,0]=3 291 B7R1.4 N[C@H]1CONC1=O HY-B1122 [0,1,0,1,0,0|2,0,0]=4 292 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [0,1,0,1,0,0|1,0,0]=3 293 B7R1.18 O=C(O)C1CNC1 HY-Y0530 [0,1,0,1,0,0|1,0,0]=3 294 B7R1.18 O=C(O)[C@@H]1CCN1 HY-W050044 [0,1,0,1,0,0|1,0,0]=3 295 B7R1.18 O=C(O)[C@H]1CCN1 HY-W017755 [0,1,0,1,0,0|1,0,0]=3