0 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-20582 [0,0,0,0,0,0|1,0,0]=1 1 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-W017413 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.7 NC(=O)[C@H]1CCCN1 HY-W012921 [0,0,0,0,0,0|1,0,0]=1 3 B8R1.7 O=C(O)C1=CCCC1 HY-W005540 [0,0,0,0,0,0|1,0,1]=2 4 B8R1.7 O=C(O)C1=CN=CN1 HY-W007695 [0,0,0,0,0,0|1,0,3]=4 5 B8R1.7 O=C(O)C1CCCN1 HY-W012908 [0,0,0,0,0,0|0,0,0]=0 6 B8R1.7 O=C(O)C1CSCN1 HY-B1169 [0,0,0,0,0,0|1,0,0]=1 7 B8R1.7 O=C(O)C1CSSC1 HY-50730 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.7 O=C(O)[C@@H]1C=CCN1 HY-W015897 [0,0,0,0,0,0|0,0,2]=2 9 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-WAA0253 [0,0,0,0,0,0|0,0,0]=0 10 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252 [0,0,0,0,0,0|0,0,0]=0 11 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252R [0,0,0,0,0,0|0,0,0]=0 12 B8R1.7 O=C(O)[C@@H]1CCNC1 HY-60256 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.7 O=C(O)[C@@H]1CSCN1 HY-W012676 [0,0,0,0,0,0|1,0,0]=1 14 B8R1.7 O=C(O)[C@H]1CCCN1 HY-75087 [0,0,0,0,0,0|0,0,0]=0 15 B8R1.7 O=C(O)[C@H]1CCCO1 HY-W005223 [0,0,0,0,0,0|1,0,0]=1 16 B8R1.7 OB(O)C1=CCCC1 HY-W000981 [0,0,0,0,0,0|2,0,2]=4 17 B8R1.7 OB(O)C1CCCC1 HY-W000955 [0,0,0,0,0,0|2,0,1]=3 18 B8R1.7 S=C(S)N1CCCC1 HY-18738 [0,0,0,0,0,0|2,2,0]=4 19 B7R1.1 NC[C@@H]1CCCO1 HY-W010600 [1,0,0,0,0,0|2,0,1]=4 20 B7R1.1 OC[C@@H]1CCCN1 HY-Y1126 [1,0,0,0,0,0|0,0,1]=2 21 B7R1.1 OC[C@@H]1CCNC1 HY-60263 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.11 COC(=O)[C@@H]1CCCN1 HY-76134 [0,1,0,0,0,0|0,0,0]=1 23 B9R1.11 O=C(NO)C1=CCCC1 HY-117554 [0,1,0,0,0,0|1,0,1]=3 24 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 HY-W061761 [0,1,0,0,0,0|1,0,0]=2 25 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 HY-W044620 [0,1,0,0,0,0|0,0,0]=1 26 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HY-40135 [0,1,0,0,0,0|0,0,0]=1 27 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HY-40135R [0,1,0,0,0,0|0,0,0]=1 28 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 HY-40136 [0,1,0,0,0,0|0,0,0]=1 29 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 HY-W019213 [0,1,0,0,0,0|0,0,0]=1 30 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 HY-76104 [0,1,0,0,0,0|0,0,0]=1 31 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 HY-34666 [0,1,0,0,0,0|0,0,0]=1 32 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 HY-W003511 [0,1,0,0,0,0|0,0,0]=1 33 B9R1.35 O=C1CCC(C(=O)O)N1 HY-W012738 [0,1,0,0,0,0|0,0,1]=2 34 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HY-76082 [0,1,0,0,0,0|0,0,1]=2 35 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HY-76082R [0,1,0,0,0,0|0,0,1]=2 36 B9R1.35 O=C1CC[C@H](C(=O)O)N1 HY-W002304 [0,1,0,0,0,0|0,0,1]=2 37 B9R1.35 O=C1N[C@H](C(=O)O)CS1 HY-133105 [0,1,0,0,0,0|1,0,1]=3 38 B9R1.35 [C@H]1(O)CN[C@@H](C(=O)O)C1 HY-W008129 [0,1,0,0,0,0|0,0,0]=1 39 B9R1.41 CN1CCC[C@H]1C(=O)O HY-21754 [0,1,0,0,0,0|0,0,0]=1 40 B9R1.163 NC1(C(=O)O)CCCC1 HY-30008 [0,1,0,0,0,0|1,0,0]=2 41 B9R1.163 [2H]C1(C(=O)O)CCCN1 HY-W012908S1 [0,1,0,0,0,0|0,0,0]=1 42 B7R0.4 C#CCCCC(=O)O HY-Y0925 [0,0,1,0,0,0|1,0,1]=3 43 B7R0.4 C#CCNCC(=O)O HY-142035 [0,0,1,0,0,0|0,0,2]=3 44 B7R0.4 CCCCCC(C)O HY-W015879 [0,0,1,0,0,0|2,0,1]=4 45 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [0,0,1,0,0,0|1,0,1]=3 46 B7R0.4 CC\C=C\CC(=O)O HY-W010532 [0,0,1,0,0,0|1,0,1]=3 47 B7R0.4 NCCCCC(=O)O HY-W015878 [0,0,1,0,0,0|0,0,0]=1 48 B7R0.4 NCCOCC(=O)O HY-140643 [0,0,1,0,0,0|1,0,0]=2 49 B7R0.4 NCCOCC(=O)O HY-140644 [0,0,1,0,0,0|1,0,0]=2 50 B7R0.4 O=C(Cl)CCCCBr HY-43538 [0,0,1,0,0,0|2,0,0]=3 51 B7R0.4 O=C(O)CCCCBr HY-W016456 [0,0,1,0,0,0|1,0,0]=2 52 B7R0.4 O=C(O)COCCBr HY-130163 [0,0,1,0,0,0|2,0,0]=3 53 B7R0.4 O=C(O)COCCS HY-140730 [0,0,1,0,0,0|2,0,0]=3 54 B7R0.5 C#CCC(N)C(=O)O HY-W040124 [0,0,1,0,0,0|0,0,2]=3 55 B7R0.5 C=CCC(C)C(=O)O HY-W012922 [0,0,1,0,0,0|1,0,2]=4 56 B7R0.5 C=CC[C@H](N)C(=O)O HY-W015595 [0,0,1,0,0,0|0,0,2]=3 57 B7R0.5 CCCC(=O)C(=O)O HY-113098 [0,0,1,0,0,0|1,0,1]=3 58 B7R0.5 CCCC(C)C(=O)O HY-W010516 [0,0,1,0,0,0|1,0,0]=2 59 B7R0.5 CCCC(N)C(=O)O HY-W010510 [0,0,1,0,0,0|0,0,0]=1 60 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [0,0,1,0,0,0|0,0,0]=1 61 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [0,0,1,0,0,0|0,0,0]=1 62 B7R0.5 CC\C=C(/C)C(=O)O HY-W010533 [0,0,1,0,0,0|1,0,1]=3 63 B7R0.5 CNC[C@H](N)C(=O)O HY-W015546 [0,0,1,0,0,0|1,0,0]=2 64 B7R0.5 CSC[C@H](N)C(=O)O HY-B2188 [0,0,1,0,0,0|1,0,0]=2 65 B7R0.5 C[Se]C[C@H](N)C(=O)O HY-114245 [0,0,1,0,0,0|1,0,0]=2 66 B7R0.5 N#CC[C@H](N)C(=O)O HY-125773 [0,0,1,0,0,0|1,0,1]=3 67 B7R0.5 NC(CCO)C(=O)O HY-W012870 [0,0,1,0,0,0|1,0,0]=2 68 B7R0.5 NC(CCS)C(=O)O HY-W040821 [0,0,1,0,0,0|1,0,0]=2 69 B7R0.5 NCC[C@H](N)C(=O)O HY-101414 [0,0,1,0,0,0|1,0,0]=2 70 B7R0.5 NCC[C@H](N)C(=O)O HY-101414A [0,0,1,0,0,0|1,0,0]=2 71 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292 [0,0,1,0,0,0|1,0,0]=2 72 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292R [0,0,1,0,0,0|1,0,0]=2 73 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347 [0,0,1,0,0,0|1,0,0]=2 74 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347R [0,0,1,0,0,0|1,0,0]=2 75 B7R0.5 N[C@H](CCO)C(=O)O HY-W010499 [0,0,1,0,0,0|1,0,0]=2 76 B7R0.5 [C@@H](N)(CC=C)C(=O)O HY-W012907 [0,0,1,0,0,0|0,0,2]=3 77 B7R0.5 [C@H](N)(CCN)C(=O)O HY-W010018 [0,0,1,0,0,0|1,0,0]=2 78 B7R0.15 CCC(CC)C(=O)O HY-W004154 [0,0,1,0,0,0|1,0,0]=2 79 B7R0.15 COC(OC)C(C)=O HY-Y0872 [0,0,1,0,0,0|3,0,0]=4 80 B7R0.15 [C@@H](CO)(NC)C(=O)O HY-W012872 [0,0,1,0,0,0|1,0,0]=2 81 B7R1.18 O=C(O)C1CNC1 HY-Y0530 [0,0,0,0,1,0|1,0,0]=2 82 B7R1.18 O=C(O)[C@@H]1CCN1 HY-W050044 [0,0,0,0,1,0|0,0,0]=1 83 B7R1.18 O=C(O)[C@H]1CCN1 HY-W017755 [0,0,0,0,1,0|0,0,0]=1 84 B9R1.6 O=C(O)C1=CCCNC1 HY-100809 [0,0,0,0,0,1|0,0,2]=3 85 B9R1.6 O=C(O)C1=CCCNC1 HY-N2482A [0,0,0,0,0,1|0,0,2]=3 86 B9R1.6 O=C(O)C1=CCNCC1 HY-100810 [0,0,0,0,0,1|1,0,1]=3 87 B9R1.6 O=C(O)C1CCCCC1 HY-Y1373 [0,0,0,0,0,1|1,0,0]=2 88 B9R1.6 O=C(O)C1CCCCN1 HY-Y0669R [0,0,0,0,0,1|0,0,0]=1 89 B9R1.6 O=C(O)C1CCCNC1 HY-69359 [0,0,0,0,0,1|0,0,0]=1 90 B9R1.6 O=C(O)C1CCNCC1 HY-Y1176 [0,0,0,0,0,1|1,0,0]=2 91 B9R1.6 O=C(O)C1CCOCC1 HY-W002155 [0,0,0,0,0,1|1,0,0]=2 92 B9R1.6 O=C(O)[C@H]1CCCCN1 HY-Y0181 [0,0,0,0,0,1|0,0,0]=1 93 B9R1.6 [C@@H]1(C(=O)O)CCCCN1 HY-W012734 [0,0,0,0,0,1|0,0,0]=1 94 B9R1.6 [C@H]1(C(=O)O)CCCNC1 HY-W012735 [0,0,0,0,0,1|0,0,0]=1 95 B6R0.4 C=CCCC(=O)O HY-Y0624 [1,0,1,0,0,0|0,0,2]=4 96 B6R0.4 CCCCB(O)O HY-W000932 [1,0,1,0,0,0|1,0,1]=4 97 B6R0.4 CCCCC(N)=O HY-W144037 [1,0,1,0,0,0|1,0,0]=3 98 B6R0.4 CCNCC(=O)O HY-W141879 [1,0,1,0,0,0|0,0,0]=2 99 B6R0.4 CCOCC(=O)O HY-W027555 [1,0,1,0,0,0|1,0,0]=3 100 B6R0.4 CC\C=C\C(=O)O HY-W061674 [1,0,1,0,0,0|0,0,2]=4 101 B6R0.4 CSCCC(=O)O HY-101401 [1,0,1,0,0,0|1,0,0]=3 102 B6R0.4 C\C=C\CC(=O)O HY-W088501 [1,0,1,0,0,0|0,0,2]=4 103 B6R0.4 NCCCC(=O)O HY-N0067 [1,0,1,0,0,0|0,0,0]=2 104 B6R0.4 NCCCC(=O)O HY-N0067R [1,0,1,0,0,0|0,0,0]=2 105 B6R0.4 NC\C=C\C(=O)O HY-100800 [1,0,1,0,0,0|0,0,2]=4 106 B6R0.4 O=CNCC(=O)O HY-128735 [1,0,1,0,0,0|1,0,1]=4 107 B6R0.6 C=CCCCCO HY-W012995 [1,0,1,0,0,0|2,0,0]=4 108 B6R0.6 CCCCCCO HY-W032022 [1,0,1,0,0,0|1,0,1]=4 109 B6R0.6 CCC\C=C\C=O HY-128429 [1,0,1,0,0,0|1,0,1]=4 110 B6R0.6 NCCCCCN HY-W016750 [1,0,1,0,0,0|1,0,1]=4 111 B6R0.6 NCCCCCO HY-W012971 [1,0,1,0,0,0|0,0,1]=3 112 B6R0.3 CC(CBr)C(=O)O HY-W015332 [1,0,1,0,0,0|1,0,0]=3 113 B6R0.3 CC(CN)C(=O)O HY-W012974 [1,0,1,0,0,0|1,0,0]=3 114 B6R0.3 CC(CN)C(=O)O HY-W012974R [1,0,1,0,0,0|1,0,0]=3 115 B6R0.3 CC(CO)C(=O)O HY-113126 [1,0,1,0,0,0|1,0,0]=3 116 B6R0.3 CCC(=O)C(=O)O HY-W007926 [1,0,1,0,0,0|1,0,1]=4 117 B6R0.3 CCC(=O)C(=O)O HY-W007926R [1,0,1,0,0,0|1,0,1]=4 118 B6R0.3 CCC(N)C(=O)O HY-W010590 [1,0,1,0,0,0|0,0,0]=2 119 B6R0.3 CCC(O)C(=O)O HY-113381 [1,0,1,0,0,0|1,0,0]=3 120 B6R0.3 CC[C@@H](N)C(=O)O HY-Y0127 [1,0,1,0,0,0|0,0,0]=2 121 B6R0.3 CC[C@H](N)C(N)=O HY-79491 [1,0,1,0,0,0|1,0,0]=3 122 B6R0.3 CC[C@H](O)C(=O)O HY-W018499 [1,0,1,0,0,0|1,0,0]=3 123 B6R0.3 C[C@@H](CN)C(=O)O HY-113380 [1,0,1,0,0,0|1,0,0]=3 124 B6R0.3 C[C@@H](CN)C(=O)O HY-W023323 [1,0,1,0,0,0|1,0,0]=3 125 B6R0.3 C\C=C(/C)C(=O)O HY-W012999 [1,0,1,0,0,0|0,0,2]=4 126 B6R0.3 NC(=O)[C@@H](N)CO HY-W008254 [1,0,1,0,0,0|2,0,0]=4 127 B6R0.3 NC(CO)C(=O)O HY-Y0507 [1,0,1,0,0,0|1,0,0]=3 128 B6R0.3 NC(CS)C(=O)O HY-W013651 [1,0,1,0,0,0|1,0,0]=3 129 B6R0.3 NC(CS)C(=O)O HY-W016716 [1,0,1,0,0,0|1,0,0]=3 130 B6R0.3 NCC(N)C(=O)O HY-W013674 [1,0,1,0,0,0|1,0,0]=3 131 B6R0.3 NC[C@@H](N)C(=O)O HY-W010312 [1,0,1,0,0,0|1,0,0]=3 132 B6R0.3 NC[C@H](N)C(=O)O HY-W013673 [1,0,1,0,0,0|1,0,0]=3 133 B6R0.3 N[13C@@H]([13CH2]O)[13C](=O)O HY-N0650S [1,0,1,0,0,0|1,0,0]=3 134 B6R0.3 N[C@@H](CCl)C(=O)O HY-107373 [1,0,1,0,0,0|1,0,0]=3 135 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650 [1,0,1,0,0,0|1,0,0]=3 136 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650R [1,0,1,0,0,0|1,0,0]=3 137 B6R0.3 N[C@@H](CO)[13C](=O)O HY-N0650S2 [1,0,1,0,0,0|1,0,0]=3 138 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715 [1,0,1,0,0,0|1,0,0]=3 139 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715R [1,0,1,0,0,0|1,0,0]=3 140 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337 [1,0,1,0,0,0|1,0,0]=3 141 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337A [1,0,1,0,0,0|1,0,0]=3 142 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337R [1,0,1,0,0,0|1,0,0]=3 143 B6R0.3 N[C@H](CCl)C(=O)O HY-W015457 [1,0,1,0,0,0|1,0,0]=3 144 B6R0.3 N[C@H](CO)C(=O)O HY-100808 [1,0,1,0,0,0|1,0,0]=3 145 B6R0.3 N[C@H](CS)C(=O)O HY-W002074 [1,0,1,0,0,0|1,0,0]=3 146 B6R0.3 N[C@H](CS)C(=O)O HY-W018555 [1,0,1,0,0,0|1,0,0]=3 147 B6R0.3 N[C@H](CS)C(=O)O HY-W055811 [1,0,1,0,0,0|1,0,0]=3 148 B6R0.3 O=C(O)C(O)CO HY-W018035 [1,0,1,0,0,0|2,0,0]=4 149 B6R0.3 [C@@H](C)(NC)C(=O)O HY-W015926 [1,0,1,0,0,0|0,0,0]=2 150 B6R0.3 [C@H](N)(CC)C(=O)O HY-W010589 [1,0,1,0,0,0|0,0,0]=2 151 B6R0.3 [C@H](O)(CN)C(=O)O HY-W012967 [1,0,1,0,0,0|2,0,0]=4 152 B6R1.2 O=C1NCCN1 HY-W031536 [2,0,0,0,0,0|1,0,1]=4 153 B6R1.2 O[C@H]1CCOC1 HY-76476 [2,0,0,0,0,0|2,0,0]=4 154 B8R0.5 CCCC(O)CC(=O)O HY-113836 [0,1,1,0,0,0|1,0,0]=3 155 B8R0.5 CCOC(=O)CC(=O)O HY-Y1031 [0,1,1,0,0,0|2,0,0]=4 156 B8R0.6 CCCCCC(=O)O[Na] HY-W099696 [0,1,1,0,0,0|1,0,0]=3 157 B8R0.7 C#CCOCCC(=O)O HY-130504 [0,1,1,0,0,0|1,0,1]=4 158 B8R0.7 CC(=O)NCCCCN HY-113100 [0,1,1,0,0,0|1,0,0]=3 159 B8R0.7 CC(=O)NCCCCN HY-W342604 [0,1,1,0,0,0|1,0,0]=3 160 B8R0.7 CCCCCCC(C)=O HY-W010409 [0,1,1,0,0,0|2,0,0]=4 161 B8R0.7 COCCOCC(=O)O HY-W1048558A [0,1,1,0,0,0|1,0,0]=3 162 B8R0.7 N=C(N)NCCCCN HY-101238 [0,1,1,0,0,0|2,0,0]=4 163 B8R0.7 NCCOCCC(=O)O HY-140002 [0,1,1,0,0,0|0,0,0]=2 164 B8R0.7 O=C(O)CCOCCO HY-116655 [0,1,1,0,0,0|1,0,0]=3 165 B8R0.7 [N-]=[N+]=NCCCC(=O)O HY-W588704 [0,1,1,0,0,0|1,0,1]=4 166 B8R0.8 C#CCC[C@H](N)C(=O)O HY-140345 [0,1,1,0,0,0|1,0,1]=4 167 B8R0.8 CCCCC(C)C(=O)O HY-128371 [0,1,1,0,0,0|1,0,0]=3 168 B8R0.8 CCCCC(N)C(=O)O HY-W012709 [0,1,1,0,0,0|1,0,0]=3 169 B8R0.8 CCCCC(O)C(=O)O HY-75954 [0,1,1,0,0,0|1,0,0]=3 170 B8R0.8 CCCC[C@@H](N)C(=O)O HY-41912A [0,1,1,0,0,0|1,0,0]=3 171 B8R0.8 CCCC[C@H](N)C(=O)O HY-Y0017 [0,1,1,0,0,0|1,0,0]=3 172 B8R0.8 CSCCC(N)C(=O)O HY-N0325 [0,1,1,0,0,0|2,0,0]=4 173 B8R0.8 CSCCC(O)C(=O)O HY-116688 [0,1,1,0,0,0|2,0,0]=4 174 B8R0.8 CSCC[C@@H](N)C(=O)O HY-13694 [0,1,1,0,0,0|2,0,0]=4 175 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326 [0,1,1,0,0,0|2,0,0]=4 176 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326R [0,1,1,0,0,0|2,0,0]=4 177 B8R0.8 CSCC[C@H](N)[13C](=O)O HY-N0326S4 [0,1,1,0,0,0|2,0,0]=4 178 B8R0.8 CSCC[C@H]([15NH2])C(=O)O HY-N0326S [0,1,1,0,0,0|2,0,0]=4 179 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000 [0,1,1,0,0,0|2,0,0]=4 180 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000R [0,1,1,0,0,0|2,0,0]=4 181 B8R0.8 C[Se]CC[C@H](N)C(=O)O HY-B1000A [0,1,1,0,0,0|2,0,0]=4 182 B8R0.8 NCCCC(N)C(=O)O HY-B1713A [0,1,1,0,0,0|0,0,0]=2 183 B8R0.8 NCCC[C@@H](N)C(=O)O HY-34516 [0,1,1,0,0,0|0,0,0]=2 184 B8R0.8 NCCC[C@H](N)C(=O)O HY-A0282 [0,1,1,0,0,0|0,0,0]=2 185 B8R0.8 NCCC[C@H](N)C(=O)O HY-B1352 [0,1,1,0,0,0|0,0,0]=2 186 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018 [0,1,1,0,0,0|0,0,0]=2 187 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018B [0,1,1,0,0,0|0,0,0]=2 188 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018R [0,1,1,0,0,0|0,0,0]=2 189 B8R0.9 C#CC(N)CCC(=O)O HY-131693A [0,1,1,0,0,0|1,0,1]=4 190 B8R0.9 C=CC(N)CCC(=O)O HY-B0033 [0,1,1,0,0,0|1,0,1]=4 191 B8R0.9 CCC(=O)NCC(=O)O HY-W587803 [0,1,1,0,0,0|0,0,1]=3 192 B8R0.9 NCC(=O)CCC(=O)O HY-N0305 [0,1,1,0,0,0|0,0,1]=3 193 B8R0.9 NCC(=O)CCC(=O)O HY-N0305R [0,1,1,0,0,0|0,0,1]=3 194 B8R0.9 NCC(=O)NCC(=O)O HY-D0889R [0,1,1,0,0,0|1,0,1]=4 195 B8R0.28 CC(=O)CCCC(=O)O HY-W001957 [0,1,1,0,0,0|1,0,1]=4 196 B8R0.28 N=C(N)NCCC(=O)O HY-W015828 [0,1,1,0,0,0|1,0,1]=4 197 B8R0.28 NC(=O)NCCC(=O)O HY-113285 [0,1,1,0,0,0|1,0,1]=4 198 B8R0.28 O=C(O)CCCC(=O)O HY-W008820 [0,1,1,0,0,0|1,0,1]=4 199 B8R0.28 O=C(O)CCCC(=O)O HY-W008820R [0,1,1,0,0,0|1,0,1]=4 200 B8R0.28 O=C(O)CNCC(=O)O HY-W012683 [0,1,1,0,0,0|1,0,1]=4 201 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063 [0,1,1,0,0,0|1,0,1]=4 202 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063R [0,1,1,0,0,0|1,0,1]=4 203 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O HY-78912 [0,1,1,0,0,0|0,0,0]=2 204 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-N0771 [0,1,1,0,0,0|0,0,0]=2 205 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-W012706 [0,1,1,0,0,0|0,0,0]=2 206 B8R0.2 CC[C@H](C)[C@H]([15NH2])C(=O)O HY-N0771S2 [0,1,1,0,0,0|0,0,0]=2 207 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO HY-134240 [0,1,1,0,0,0|2,0,0]=4 208 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO HY-W009208 [0,1,1,0,0,0|2,0,0]=4 209 B8R0.2 [C@@H](N)(C(=O)O)[C@@H](C)OC HY-W008464 [0,1,1,0,0,0|1,0,0]=3 210 B8R0.3 CCCC(=O)C(=O)OC HY-W127546 [0,1,1,0,0,0|1,0,1]=4 211 B8R0.23 CC(=O)N[C@@H](C)C(=O)O HY-W004066 [0,1,1,0,0,0|0,0,1]=3 212 B8R0.23 CC(=O)N[C@@H](C)C(=O)O HY-W004066R [0,1,1,0,0,0|0,0,1]=3 213 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722 [0,1,1,0,0,0|1,0,1]=4 214 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722R [0,1,1,0,0,0|1,0,1]=4 215 B8R0.23 CC(C)CC(N)C(=O)O HY-B1674 [0,1,1,0,0,0|0,0,0]=2 216 B8R0.23 CC(C)CC(O)C(=O)O HY-30216A [0,1,1,0,0,0|1,0,0]=3 217 B8R0.23 CC(C)CC(O)C(=O)O HY-30216AR [0,1,1,0,0,0|1,0,0]=3 218 B8R0.23 CC(C)C[C@@H](N)C(=O)O HY-Y0378 [0,1,1,0,0,0|0,0,0]=2 219 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486 [0,1,1,0,0,0|0,0,0]=2 220 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486R [0,1,1,0,0,0|0,0,0]=2 221 B8R0.23 CC(C)C[C@H](N)C(N)=O HY-W088014 [0,1,1,0,0,0|1,0,0]=3 222 B8R0.23 CC(C)C[C@H](N)[13C](=O)O HY-N0486S1 [0,1,1,0,0,0|0,0,0]=2 223 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215 [0,1,1,0,0,0|1,0,0]=3 224 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215R [0,1,1,0,0,0|1,0,0]=3 225 B8R0.23 CC(C)C[C@H]([15NH2])[13C](=O)O HY-N0486S7 [0,1,1,0,0,0|0,0,0]=2 226 B8R0.23 CS(=O)C[C@H](N)C(=O)O HY-W017404 [0,1,1,0,0,0|1,0,0]=3 227 B8R0.23 NC(=O)CC(N)C(=O)O HY-W017442 [0,1,1,0,0,0|1,0,1]=4 228 B8R0.23 NC(=O)C[C@@H](N)C(=O)O HY-W010378 [0,1,1,0,0,0|1,0,1]=4 229 B8R0.23 NC(=O)C[C@H](N)C(=O)O HY-N0667R [0,1,1,0,0,0|1,0,1]=4 230 B8R0.23 NC(=O)C[C@H](N)C(=O)O HY-W017443 [0,1,1,0,0,0|1,0,1]=4 231 B8R0.23 NC(CC(=O)O)C(=O)O HY-W015824 [0,1,1,0,0,0|1,0,1]=4 232 B8R0.23 N[C@@H](CC(=O)O)C(=O)O HY-N0666R [0,1,1,0,0,0|1,0,1]=4 233 B8R0.23 N[C@@H](CS(=O)O)C(=O)O HY-100804 [0,1,1,0,0,0|2,0,0]=4 234 B8R0.23 N[C@@H](CS(=O)O)C(=O)O HY-W017230 [0,1,1,0,0,0|2,0,0]=4 235 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(=O)O HY-N0667S2 [0,1,1,0,0,0|1,0,1]=4 236 B8R0.23 [15NH2][13C@@H]([13CH2][13C](=O)O)[13C](=O)O HY-N0666S1 [0,1,1,0,0,0|1,0,1]=4 237 B8R0.18 CCC(C(=O)O)C(=O)O HY-34740 [0,1,1,0,0,0|2,0,0]=4 238 B8R0.18 CNC(C(=O)O)C(C)C HY-W142140A [0,1,1,0,0,0|0,0,0]=2 239 B8R0.18 CN[C@@H](C(=O)O)C(C)C HY-20561A [0,1,1,0,0,0|0,0,0]=2 240 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O HY-W010366 [0,1,1,0,0,0|0,0,0]=2 241 B8R0.36 CCC(O)(CC)C(=O)O HY-142105 [0,1,1,0,0,0|1,0,0]=3 242 B8R1.11 CN1CCC[C@H]1CO HY-W019679 [1,1,0,0,0,0|0,0,1]=3 243 B8R1.38 COC(=O)C1CNC1 HY-33615 [0,1,0,0,1,0|1,0,0]=3 244 B8R1.78 NC1(C(=O)O)CCC1 HY-30006 [0,1,0,0,1,0|0,0,0]=2 245 B10R1.13 NC1=NCC(C(=O)O)CN1 HY-124285 [0,1,0,0,0,1|1,0,1]=4 246 B10R1.13 O=C(O)C1CCC(O)CC1 HY-W015675 [0,1,0,0,0,1|1,0,0]=3 247 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 HY-76199 [0,1,0,0,0,1|1,0,0]=3 248 B10R1.15 CCC(=O)C1CCCCC1 HY-W026029 [0,1,0,0,0,1|2,0,0]=4 249 B10R1.15 COC(=O)C1CCCCC1 HY-W007704 [0,1,0,0,0,1|1,0,0]=3 250 B10R1.15 COC(=O)C1CNCCN1 HY-W037893 [0,1,0,0,0,1|0,0,0]=2 251 B10R1.28 O=S(=O)(O)C1CCNCC1 HY-139116 [0,1,0,0,0,1|2,0,0]=4 252 B10R1.61 O=C(O)C1CCCCN1O HY-N7378 [0,1,0,0,0,1|0,0,0]=2 253 B10R1.113 CC1=NCC[C@@H](C(=O)O)N1 HY-107784 [0,1,0,0,0,1|0,0,1]=3 254 B10R1.113 CC1=NCC[C@@H](C(=O)O)N1 HY-107784R [0,1,0,0,0,1|0,0,1]=3 255 B10R1.113 CN1CCC=C(C(=O)O)C1 HY-N2368 [0,1,0,0,0,1|0,0,2]=4 256 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 HY-W017542 [0,1,0,0,0,1|0,0,0]=2 257 B10R1.113 O=C1CCC[C@H](C(=O)O)N1 HY-W048995 [0,1,0,0,0,1|0,0,0]=2 258 B10R1.23 NC(C(=O)O)C1CCCC1 HY-W040803 [0,1,0,0,0,1|1,0,0]=3 259 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 HY-W057459 [0,2,0,0,0,0|1,0,1]=4 260 B10R1.14 COC(=O)[C@@H]1COC(=O)N1 HY-Z0425 [0,2,0,0,0,0|1,0,1]=4 261 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 HY-76043 [0,2,0,0,0,0|0,0,0]=2 262 B10R1.59 CN1C[C@H](O)C[C@H]1C(=O)O HY-W098556 [0,2,0,0,0,0|0,0,0]=2 263 B10R1.128 C[N+]1(C)CCC[C@H]1C(=O)O HY-N0738 [0,2,0,0,0,0|0,0,1]=3 264 B10R1.128 C[N+]1(C)CCC[C@H]1C(=O)[O-] HY-N0298 [0,2,0,0,0,0|0,0,2]=4 265 B8R1.22 O=C1CCCCCN1 HY-W010542 [0,0,1,1,0,0|2,0,0]=4 266 B8R1.22 O=C1CCCCCO1 HY-W015891 [0,0,1,1,0,0|1,0,0]=3 267 B8R1.22 O=C1CCCCCO1 HY-W392100B [0,0,1,1,0,0|1,0,0]=3 268 B8R1.5 CC1CCCCC1=O HY-W010549 [0,0,1,1,0,0|2,0,0]=4 269 B8R1.5 NC1CCCNC1=O HY-21088 [0,0,1,1,0,0|1,0,0]=3 270 B8R1.5 N[C@H]1CCCNC1=O HY-W003592A [0,0,1,1,0,0|1,0,0]=3 271 B10R2.71 O=C1CC2CCC(C1)N2 HY-76030 [0,0,0,1,0,1|1,0,0]=3 272 B10R2.71 OC1CC2CCC(C1)N2 HY-W018601 [0,0,0,1,0,1|1,0,1]=4 273 B10R2.71 [C@H]12CC[C@H](C[C@H](O)C1)N2 HY-W066915 [0,0,0,1,0,1|1,0,1]=4 274 B6R1.6 OCC1CNC1 HY-21336 [1,0,0,0,1,0|1,0,1]=4 275 B6R1.6 OCC1COC1 HY-W004925 [1,0,0,0,1,0|1,0,1]=4 276 B6R1.11 NC(=O)C1CO1 HY-119329 [0,0,0,0,2,0|2,0,0]=4 277 B6R1.11 O=C(O)C1CC1 HY-Y0001 [0,0,0,0,2,0|0,0,0]=2 278 B6R1.11 OB(O)C1CC1 HY-59219 [0,0,0,0,2,0|1,0,1]=4 279 B8R0.16 CCN(CC)CC(=O)O HY-W051299 [0,0,1,0,0,1|2,0,0]=4 280 B8R1.2 OCC1CCCCO1 HY-115051 [1,0,0,0,0,1|1,0,1]=4 281 B8R1.2 OCC1CCOCC1 HY-79631 [1,0,0,0,0,1|1,0,1]=4 282 B10R1.18 O=C(O)CC1CCCCC1 HY-W018653 [0,0,0,0,0,2|1,0,0]=3