0 B8R0.23 C(C(C(=O)O)Cl)C(=O)O PI-28489 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.23 C(C(C(=O)O)Cl)C(=O)O PI-28518 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.23 CC(=O)NC(=C)C(=O)O PI-26724 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.23 CC(C(=O)C)OC(=O)C PI-26680 [0,0,0,0,0,0|4,0,0]=4 4 B8R0.23 CC(C(CC(=O)O)N)O PI-43592 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.23 CC(C)CC(Br)C(O)=O PI-40045 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.23 CC(C)CC(C(=O)O)N PI-14720 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.23 CC(C)CC(C(=O)O)O PI-45798 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.23 CC(C)CC(N)C(=O)O PI-25447 [0,0,0,0,0,0|2,0,1]=3 9 B8R0.23 CC(C)[C@@H](CC(=O)O)N PI-48270 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.23 CC(NC(C)=O)C(O)=O PI-26061 [0,0,0,0,0,0|3,0,0]=3 11 B8R0.23 CN(C)CC(C(=O)O)N PI-14917 [0,0,0,0,0,0|3,0,0]=3 12 B8R0.23 C[C@@H](CC(=O)O)C(=O)O PI-48298 [0,0,0,0,0,0|2,0,0]=2 13 B8R0.23 N[C@H](C(=O)O)CC(C)C PI-15734 [0,0,0,0,0,0|2,0,1]=3 14 B8R0.23 O=C(O)C(CC(O)=O)=S PI-41173 [0,0,0,0,0,0|2,0,1]=3 15 B8R0.23 O=C(O)[C@H](N)CC(O)=O PI-13091 [0,0,0,0,0,0|1,0,0]=1 16 B8R0.23 OC(=O)CC(=O)C(=O)O PI-25448 [0,0,0,0,0,0|2,0,1]=3 17 B8R0.23 OC(=O)CC(C(=O)O)C PI-25606 [0,0,0,0,0,0|2,0,0]=2 18 B8R0.23 [C@H](N)(CS(C)=O)C(O)=O PI-42226 [0,0,0,0,0,0|2,0,0]=2 19 B7R0.2 C(C(CO)N)C(=O)O PI-43547 [1,0,0,0,0,0|1,0,1]=3 20 B7R0.2 OC[C@H](CC(=O)O)N PI-39557 [1,0,0,0,0,0|1,0,1]=3 21 B7R0.5 C#CCC(C(=O)O)N PI-43612 [1,0,0,0,0,0|1,0,1]=3 22 B7R0.5 C#CCC(C(=O)O)N PI-43896 [1,0,0,0,0,0|1,0,1]=3 23 B7R0.5 C(CN)C(C(=O)O)N PI-18265 [1,0,0,0,0,0|0,0,1]=2 24 B7R0.5 C(CN)C(C(=O)O)N PI-18421 [1,0,0,0,0,0|0,0,1]=2 25 B7R0.5 C(CN)C(C(=O)O)N PI-45534 [1,0,0,0,0,0|0,0,1]=2 26 B7R0.5 C(CN)C(C(=O)O)O PI-16049 [1,0,0,0,0,0|1,0,1]=3 27 B7R0.5 C=CCC(C(=O)O)N PI-43236 [1,0,0,0,0,0|1,0,0]=2 28 B7R0.5 C=CCC(C(=O)O)N PI-43396 [1,0,0,0,0,0|1,0,0]=2 29 B7R0.5 CC(C(=O)O)NC=O PI-33235 [1,0,0,0,0,0|2,0,0]=3 30 B7R0.5 CCCC(C(=O)O)Br PI-44608 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.5 CCCC(C(=O)O)N PI-13494 [1,0,0,0,0,0|1,0,1]=3 32 B7R0.5 CCC[C@H](C(=O)O)N PI-39155 [1,0,0,0,0,0|1,0,1]=3 33 B7R0.5 COCC(C(=O)O)N PI-14934 [1,0,0,0,0,0|2,0,0]=3 34 B7R0.5 COCC(C(=O)O)N PI-14935 [1,0,0,0,0,0|2,0,0]=3 35 B7R0.5 CSC[C@@H](C(=O)O)N PI-25076 [1,0,0,0,0,0|2,0,0]=3 36 B7R0.5 NC(CC=C)C(O)=O PI-29913 [1,0,0,0,0,0|1,0,0]=2 37 B7R0.5 NC(CCBr)C(=O)O PI-36244 [1,0,0,0,0,0|1,0,1]=3 38 B7R0.5 NC(CCO)C(O)=O PI-41434 [1,0,0,0,0,0|0,0,2]=3 39 B7R0.5 NC(CCS)C(=O)O PI-27603 [1,0,0,0,0,0|0,1,1]=3 40 B7R0.5 NCCC(C(=O)O)N PI-27828 [1,0,0,0,0,0|0,0,1]=2 41 B7R0.5 N[C@@H](CCS)C(O)=O PI-37318 [1,0,0,0,0,0|0,1,1]=3 42 B7R0.5 N[C@H](C(=O)O)CCBr PI-40811 [1,0,0,0,0,0|1,0,1]=3 43 B7R0.5 O=C(O)[C@@H](N)CSC PI-41817 [1,0,0,0,0,0|2,0,0]=3 44 B7R0.5 OCC[C@H](C(=O)O)N PI-31830 [1,0,0,0,0,0|0,0,2]=3 45 B7R0.5 OCC[C@H](N)C(=O)O PI-14275 [1,0,0,0,0,0|0,0,2]=3 46 B7R0.6 C(#CC(=O)N)C(=O)N PI-29683 [1,0,0,0,0,0|1,0,2]=4 47 B7R0.6 C(#CC(=O)[O-])C(=O)O PI-32778 [1,0,0,0,0,0|1,0,2]=4 48 B7R0.6 C(CC(=O)[O-])C(=O)[O-] PI-13200 [1,0,0,0,0,0|1,0,1]=3 49 B7R0.6 C(C[N+](=O)[O-])C(=O)O PI-41737 [1,0,0,0,0,0|2,0,0]=3 50 B7R0.6 CC(=O)C=CC(=O)O PI-29616 [1,0,0,0,0,0|1,0,2]=4 51 B7R0.6 CC(=O)CCC(=O)C PI-48500 [1,0,0,0,0,0|2,0,0]=3 52 B7R0.6 CC(=O)NCC(=O)C PI-36400 [1,0,0,0,0,0|3,0,0]=4 53 B7R0.6 CC(=O)NCC(=O)O PI-33247 [1,0,0,0,0,0|2,0,0]=3 54 B7R0.6 CC(=O)OCC(=O)Cl PI-13657 [1,0,0,0,0,0|3,0,0]=4 55 B7R0.6 CC(=O)OCC(=O)O PI-26120 [1,0,0,0,0,0|2,0,0]=3 56 B7R0.6 CC(C)CCC(=O)O PI-25767 [1,0,0,0,0,0|2,0,1]=4 57 B7R0.6 C[S+](C)CCC(=O)O PI-45961 [1,0,0,0,0,0|3,0,0]=4 58 B7R0.6 O=C([O-])CCC([O-])=O PI-13219 [1,0,0,0,0,0|1,0,1]=3 59 B9R0.11 C(C(=O)O)C(C(=O)O)(F)F PI-21241 [0,1,0,0,0,0|2,0,0]=3 60 B9R0.23 CC(=O)CC(=O)C(=O)OC PI-29316 [0,1,0,0,0,0|2,0,1]=4 61 B9R0.23 CC(C(=O)OC)NC(=O)C PI-26364 [0,1,0,0,0,0|3,0,0]=4 62 B9R0.23 CC(C)CC(C(=O)OC)N PI-14279 [0,1,0,0,0,0|2,0,1]=4 63 B9R0.23 COC(=O)[C@H](CC(=O)O)N PI-37616 [0,1,0,0,0,0|1,0,0]=2 64 B9R0.23 N[C@@H](CC(C)C)C(OC)=O PI-25825 [0,1,0,0,0,0|2,0,1]=4 65 B9R0.39 CC(=O)NC(CO)C(=O)O PI-33265 [0,1,0,0,0,0|3,0,0]=4 66 B9R0.39 CC(C)CC(C(=O)O)NC PI-43733 [0,1,0,0,0,0|2,0,1]=4 67 B9R0.39 CCC(C(=O)O)NC(=O)C PI-42198 [0,1,0,0,0,0|3,0,0]=4 68 B9R0.39 CCC(C(=O)O)NC(=O)C PI-42199 [0,1,0,0,0,0|3,0,0]=4 69 B9R0.39 CNC(CC(=O)O)C(=O)O PI-35775 [0,1,0,0,0,0|1,0,0]=2 70 B9R0.39 CN[C@@H](C(=O)O)CC(=O)O PI-27816 [0,1,0,0,0,0|1,0,0]=2 71 B9R0.39 OCC(NC(=O)C)C(=O)O PI-29994 [0,1,0,0,0,0|3,0,0]=4 72 B9R0.39 SC[C@@H](C(=O)O)NC(=O)C PI-33258 [0,1,0,0,0,0|3,0,0]=4 73 B9R0.39 SC[C@H](C(O)=O)NC(C)=O PI-36855 [0,1,0,0,0,0|3,0,0]=4 74 B9R0.42 COC(=O)CC(=C)C(=O)O PI-47078 [0,1,0,0,0,0|2,0,1]=4 75 B9R0.42 COC(=O)CC(C(=O)O)N PI-48757 [0,1,0,0,0,0|1,0,0]=2 76 B9R0.42 COC(=O)C[C@@H](C(=O)O)N PI-13089 [0,1,0,0,0,0|1,0,0]=2 77 B9R0.57 OC(=O)[C@H](CS(=O)(=O)O)N PI-27373 [0,1,0,0,0,0|2,0,0]=3 78 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O PI-15692 [0,1,0,0,0,0|2,0,0]=3 79 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O PI-25538 [0,1,0,0,0,0|2,0,0]=3 80 B9R0.79 C(C(C(=O)O)S)(C(=O)O)S PI-13449 [0,1,0,0,0,0|2,0,0]=3 81 B9R1.35 C1C(C=CC1N)C(=O)O PI-17016 [0,0,0,1,0,0|2,0,1]=4 82 B9R1.35 C1C(CNC1C(=O)O)F PI-34564 [0,0,0,1,0,0|2,0,1]=4 83 B9R1.35 C1C(CNC1C(=O)O)F PI-34565 [0,0,0,1,0,0|2,0,1]=4 84 B9R1.35 C1C(CNC1C(=O)O)F PI-34566 [0,0,0,1,0,0|2,0,1]=4 85 B9R1.35 C1C(CNC1C(=O)O)O PI-14276 [0,0,0,1,0,0|1,0,2]=4 86 B9R1.35 C1C(CNC1C(=O)O)O PI-15465 [0,0,0,1,0,0|1,0,2]=4 87 B9R1.35 C1C(N=C(S1)N)C(=O)O PI-12060 [0,0,0,1,0,0|2,1,0]=4 88 B9R1.35 C1C(NC(=O)S1)C(=O)O PI-47157 [0,0,0,1,0,0|3,0,0]=4 89 B9R1.35 C1CC(=O)NC1C(=O)O PI-10056 [0,0,0,1,0,0|3,0,0]=4 90 B9R1.35 C1CC(CC1C(=O)O)N PI-17015 [0,0,0,1,0,0|2,0,1]=4 91 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)F PI-48932 [0,0,0,1,0,0|2,0,1]=4 92 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O PI-48947 [0,0,0,1,0,0|1,0,2]=4 93 B9R1.35 O=C1CCC(C1)C(=O)O PI-34867 [0,0,0,1,0,0|2,0,0]=3 94 B9R1.35 O=C1CC[C@H](N1)C(=O)O PI-33313 [0,0,0,1,0,0|3,0,0]=4 95 B9R1.35 O=C1CC[C@H](O1)C(=O)O PI-39065 [0,0,0,1,0,0|3,0,0]=4 96 B9R1.35 O=C1CNC(C1)C(=O)O PI-36300 [0,0,0,1,0,0|1,0,0]=2 97 B9R1.35 O=[C@@](O)[C@@H]1NC[C@@H](O)C1 PI-37073 [0,0,0,1,0,0|1,0,2]=4 98 B9R1.35 O[C@@H]1CN[C@@H](C1)C(=O)O PI-15464 [0,0,0,1,0,0|1,0,2]=4 99 B9R1.35 O[C@@H]1CN[C@H](C1)C(=O)O PI-15466 [0,0,0,1,0,0|1,0,2]=4 100 B9R1.112 C1CC1CC(C(=O)O)N PI-43446 [0,0,0,1,0,0|2,0,1]=4 101 B9R1.112 N[C@H](C(=O)O)CC1CC1 PI-21863 [0,0,0,1,0,0|2,0,1]=4 102 B7R0.16 CC(C(C(=O)O)N)F PI-30663 [0,0,0,0,1,0|2,0,1]=4 103 B7R0.16 CC(C(C(=O)O)N)O PI-10276 [0,0,0,0,1,0|1,0,2]=4 104 B7R0.16 CC(C(C(=O)O)N)O PI-15755 [0,0,0,0,1,0|1,0,2]=4 105 B7R0.16 CC(C(C(=O)O)N)O PI-27180 [0,0,0,0,1,0|1,0,2]=4 106 B7R0.16 CC(C(C)N)C(=O)O PI-35160 [0,0,0,0,1,0|2,0,1]=4 107 B7R0.16 CC(C(C)N)C(=O)O PI-35161 [0,0,0,0,1,0|2,0,1]=4 108 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O PI-16564 [0,0,0,0,1,0|1,0,2]=4 109 B7R0.16 C[C@H](O)[C@H](N)C(=O)O PI-27434 [0,0,0,0,1,0|1,0,2]=4 110 B7R0.16 N[C@@H]([C@H](O)C)C(N)=O PI-41044 [0,0,0,0,1,0|1,0,1]=3 111 B7R0.16 N[C@H](C(C)C)C(N)=O PI-42206 [0,0,0,0,1,0|2,0,1]=4 112 B7R0.16 N[C@H](C(C)C)C(O)=O PI-16566 [0,0,0,0,1,0|2,0,1]=4 113 B9R0.7 C(CC(=O)N)C(C(=O)O)N PI-15754 [0,0,0,0,0,1|0,0,0]=1 114 B9R0.7 C(CC(=O)N)C(C(=O)O)N PI-15955 [0,0,0,0,0,1|0,0,0]=1 115 B9R0.7 C(CC(=O)O)C(=O)C(=O)O PI-34101 [0,0,0,0,0,1|2,0,1]=4 116 B9R0.7 C(CC(=O)O)C(C(=O)O)N PI-10055 [0,0,0,0,0,1|1,0,0]=2 117 B9R0.7 C(CC(=O)O)C(C(=O)O)N PI-15753 [0,0,0,0,0,1|1,0,0]=2 118 B9R0.7 CC(=O)SC[C@@H](C(=O)O)C PI-32348 [0,0,0,0,0,1|2,0,0]=3 119 B9R0.7 CS(=O)CCC(C(=O)O)N PI-17903 [0,0,0,0,0,1|2,0,0]=3 120 B9R0.7 NC(=O)NC[C@H](N)C(=O)O PI-27194 [0,0,0,0,0,1|0,0,0]=1 121 B9R0.7 N[C@@H](CCC(C)C)C(O)=O PI-37204 [0,0,0,0,0,1|2,0,1]=4 122 B9R0.53 CC(C)CC(CC(=O)O)N PI-43912 [0,0,0,0,0,1|2,0,1]=4 123 B9R0.53 CC(C)C[C@@H](N)CC(=O)O PI-36246 [0,0,0,0,0,1|2,0,1]=4 124 B9R0.53 CC(CC(=O)O)CC(=O)O PI-39477 [0,0,0,0,0,1|2,0,0]=3 125 B9R0.53 NC(CC(O)=O)CC(O)=O PI-37138 [0,0,0,0,0,1|1,0,0]=2 126 B6R0.2 CC(CC(=O)O)N PI-35438 [2,0,0,0,0,0|1,0,1]=4 127 B6R0.2 CC(CC(=O)O)N PI-35481 [2,0,0,0,0,0|1,0,1]=4 128 B6R0.2 CC(CC(=O)O)N PI-43821 [2,0,0,0,0,0|1,0,1]=4 129 B6R0.2 CC(CC(=O)O)O PI-47070 [2,0,0,0,0,0|2,0,0]=4 130 B6R0.2 C[C@@H](N)CC(O)=O PI-42153 [2,0,0,0,0,0|1,0,1]=4 131 B6R0.2 C[C@H](N)CC(O)=O PI-35439 [2,0,0,0,0,0|1,0,1]=4 132 B6R0.4 C#CCCC(=O)O PI-30018 [2,0,0,0,0,0|1,0,1]=4 133 B6R0.4 C(C(=O)O)NC=O PI-33231 [2,0,0,0,0,0|1,0,0]=3 134 B6R0.4 C(CC(=O)O)C#N PI-35487 [2,0,0,0,0,0|0,0,2]=4 135 B6R0.4 CC=CCC(=O)O PI-47130 [2,0,0,0,0,0|1,0,1]=4 136 B6R0.4 CSCCC(=O)O PI-31992 [2,0,0,0,0,0|2,0,0]=4 137 B6R0.4 NCCCC(=O)O PI-35917 [2,0,0,0,0,0|0,0,1]=3 138 B6R0.4 O=C(O)CCCBr PI-40017 [2,0,0,0,0,0|1,0,1]=4 139 B6R0.4 O=C(O)CCCCl PI-41227 [2,0,0,0,0,0|1,0,1]=4 140 B6R0.4 OCCCC(=O)C PI-13555 [2,0,0,0,0,0|1,0,1]=4 141 B6R0.3 C(C(C(=O)O)Br)Br PI-44609 [2,0,0,0,0,0|2,0,0]=4 142 B6R0.3 C(C(C(=O)O)N)N PI-31828 [2,0,0,0,0,0|0,0,0]=2 143 B6R0.3 C(C(C(=O)O)N)N PI-35715 [2,0,0,0,0,0|0,0,0]=2 144 B6R0.3 C(C(C(=O)O)N)N PI-35737 [2,0,0,0,0,0|0,0,0]=2 145 B6R0.3 C(C(C(=O)O)N)S PI-15750 [2,0,0,0,0,0|0,1,0]=3 146 B6R0.3 C(C(C(=O)O)O)N PI-12867 [2,0,0,0,0,0|1,0,0]=3 147 B6R0.3 C([C@@H](C(=O)N)N)O PI-41049 [2,0,0,0,0,0|1,0,1]=4 148 B6R0.3 CCC(C(=O)N)N PI-10559 [2,0,0,0,0,0|1,0,1]=4 149 B6R0.3 CCC(C(=O)O)N PI-28320 [2,0,0,0,0,0|0,0,1]=3 150 B6R0.3 CCC(C(=O)O)N PI-43844 [2,0,0,0,0,0|0,0,1]=3 151 B6R0.3 CC[C@@H](C(=O)N)N PI-12596 [2,0,0,0,0,0|1,0,1]=4 152 B6R0.3 CC[C@@H](C(=O)O)N PI-10518 [2,0,0,0,0,0|0,0,1]=3 153 B6R0.3 CC[C@H](C)C(=O)O PI-48349 [2,0,0,0,0,0|1,0,1]=4 154 B6R0.3 NC(C(=O)O)CN PI-10165 [2,0,0,0,0,0|0,0,0]=2 155 B6R0.3 NC(C(=O)O)CN PI-35820 [2,0,0,0,0,0|0,0,0]=2 156 B6R0.3 NC(CO)C(O)=O PI-35846 [2,0,0,0,0,0|0,0,1]=3 157 B6R0.3 NC(CS)C(=O)O PI-15748 [2,0,0,0,0,0|0,1,0]=3 158 B6R0.3 NCC(C(=O)O)O PI-38395 [2,0,0,0,0,0|1,0,0]=3 159 B6R0.3 N[C@H](C(=O)O)CS PI-36763 [2,0,0,0,0,0|0,1,0]=3 160 B6R0.3 N[C@H](CS)C(=O)O PI-18970 [2,0,0,0,0,0|0,1,0]=3 161 B6R0.3 N[C@H](CS)C(O)=O PI-42401 [2,0,0,0,0,0|0,1,0]=3 162 B6R0.3 O=C(O)C(C)CN PI-42145 [2,0,0,0,0,0|1,0,0]=3 163 B6R0.3 OC[C@@H](N)C(=O)O PI-14287 [2,0,0,0,0,0|0,0,1]=3 164 B8R0.5 C=CCC(CC(=O)O)N PI-43713 [1,1,0,0,0,0|2,0,0]=4 165 B8R0.5 C=CCC(CC(=O)O)N PI-43890 [1,1,0,0,0,0|2,0,0]=4 166 B8R0.3 CSC[C@@H](C(=O)OC)N PI-35894 [1,1,0,0,0,0|2,0,0]=4 167 B8R0.8 C(CC(C(=O)O)N)CN PI-15758 [1,1,0,0,0,0|0,0,1]=3 168 B8R0.8 C(CC(C(=O)O)N)CN PI-42140 [1,1,0,0,0,0|0,0,1]=3 169 B8R0.8 CSCCC(C(=O)O)N PI-16565 [1,1,0,0,0,0|0,1,1]=4 170 B8R0.8 C[Se]CC[C@H](N)C(=O)O PI-31833 [1,1,0,0,0,0|0,1,1]=4 171 B8R0.8 N[C@@H](COCN)C(=O)O PI-13094 [1,1,0,0,0,0|0,0,1]=3 172 B8R0.8 N[C@H](C(=O)O)CCCN PI-31147 [1,1,0,0,0,0|0,0,1]=3 173 B8R0.12 CC(CC=C)(C(=O)O)N PI-14928 [1,1,0,0,0,0|1,0,0]=3 174 B8R0.15 CCCC(C(=O)O)NC PI-43602 [1,1,0,0,0,0|1,0,1]=4 175 B8R0.15 CCCC(C(=O)O)NC PI-43851 [1,1,0,0,0,0|1,0,1]=4 176 B8R0.9 COC(=O)CCC(=O)Cl PI-13416 [1,1,0,0,0,0|1,0,0]=3 177 B8R0.9 NCC(=O)CCC(=O)O PI-10027 [1,1,0,0,0,0|0,0,0]=2 178 B8R0.9 NCC(=O)NCC(=O)O PI-10062 [1,1,0,0,0,0|1,0,0]=3 179 B8R0.18 CCC(C(=O)O)C(=O)O PI-29740 [0,1,0,0,1,0|2,0,0]=4 180 B8R0.37 C(=O)(C(C(=O)N)(Br)Br)N PI-30888 [0,1,0,0,1,0|2,0,0]=4 181 B8R0.37 C(=O)(C(C(=O)N)(F)F)N PI-21172 [0,1,0,0,1,0|2,0,0]=4 182 B8R0.37 CC(C)(C(=O)O)C(=O)O PI-41118 [0,1,0,0,1,0|2,0,0]=4 183 B10R0.43 O=C(O)C(C)(C)CCC(O)=O PI-37344 [0,1,0,0,0,1|2,0,0]=4 184 B10R0.57 O=C(OC)[C@H](N)CCC(N)=O PI-15956 [0,1,0,0,0,1|0,0,0]=2 185 B10R0.82 COC(=O)CCC(C(=O)O)N PI-25180 [0,1,0,0,0,1|1,0,0]=3 186 B10R0.84 CNC(CCC(=O)O)C(=O)O PI-43843 [0,1,0,0,0,1|1,0,0]=3 187 B10R0.92 C(CS(=O)(=O)O)C(C(=O)O)N PI-47158 [0,1,0,0,0,1|2,0,0]=4 188 B10R0.92 CS(=O)(=O)CCC(C(=O)O)N PI-17858 [0,1,0,0,0,1|2,0,0]=4 189 B10R0.92 CS(=O)(=O)CCC(C(=O)O)N PI-29888 [0,1,0,0,0,1|2,0,0]=4 190 B10R0.93 C(C(C(=O)O)N)C(C(=O)O)F PI-19979 [0,1,0,0,0,1|1,0,0]=3 191 B10R0.46 COC(=O)CC(C(=O)OC)O PI-12144 [0,2,0,0,0,0|2,0,0]=4 192 B10R0.23 C(C(C(=O)O)NC=O)C(=O)O PI-33245 [0,2,0,0,0,0|1,0,0]=3 193 B10R0.26 CCCS(=O)CC(C(=O)O)N PI-48456 [0,2,0,0,0,0|2,0,0]=4 194 B10R0.26 N[C@@H](CS(=O)CC=C)C(=O)O PI-29701 [0,2,0,0,0,0|2,0,0]=4 195 B8R1.18 C1C(=O)NC(=O)N1N PI-16541 [1,0,0,1,0,0|1,0,0]=3 196 B8R1.18 CN1CC(=O)NC1=O PI-25740 [1,0,0,1,0,0|2,0,0]=4 197 B8R1.18 O=C1CN(C(=O)N1)N PI-24006 [1,0,0,1,0,0|1,0,0]=3 198 B8R1.18 O=C1NC(C)C(=O)N1 PI-25739 [1,0,0,1,0,0|2,0,0]=4 199 B8R1.7 C1C(NCS1)C(=O)O PI-12069 [1,0,0,1,0,0|2,0,0]=4 200 B8R1.7 C1C=CCC1C(=O)O PI-33725 [1,0,0,1,0,0|2,0,0]=4 201 B8R1.7 C1CC(NC1)C(=O)O PI-44957 [1,0,0,1,0,0|1,0,1]=4 202 B8R1.7 C1CNCC1C(=O)O PI-25815 [1,0,0,1,0,0|1,0,1]=4 203 B8R1.7 OC(=O)C1CNCC1 PI-36920 [1,0,0,1,0,0|1,0,1]=4 204 B8R1.7 OC(=O)[C@H]1CCCN1 PI-31157 [1,0,0,1,0,0|1,0,1]=4 205 B8R1.7 OC(=O)[C@H]1NCC=C1 PI-38250 [1,0,0,1,0,0|1,0,1]=4 206 B8R1.23 N[C@@H]1C[C@H](C1)C(=O)O PI-39343 [1,0,0,1,0,0|1,0,1]=4 207 B8R1.23 O=C1CC(C1)C(=O)O PI-38282 [1,0,0,1,0,0|1,0,0]=3 208 B8R1.54 C1CC1C(C(=O)O)N PI-25603 [1,0,0,1,0,0|1,0,1]=4 209 B8R1.54 C1CC1C(C(=O)O)N PI-43245 [1,0,0,1,0,0|1,0,1]=4 210 B8R1.78 C1CC(C1)(C(=O)O)N PI-33642 [1,0,0,1,0,0|1,0,1]=4 211 B8R1.78 O=C(C1(N)CCC1)O PI-31110 [1,0,0,1,0,0|1,0,1]=4 212 B8R1.78 OC(=O)C1(N)CCC1 PI-33186 [1,0,0,1,0,0|1,0,1]=4 213 B8R1.3 O=C1CCC(=O)CC1 PI-13127 [1,0,0,1,0,0|2,0,0]=4 214 B8R1.50 C1C(=O)C(C(=O)O1)Cl PI-27633 [0,0,0,1,1,0|2,0,0]=4 215 B10R1.14 COC(=O)C1CCC(=O)C1 PI-42489 [0,1,0,1,0,0|2,0,0]=4 216 B10R1.361 C1C[C@H]([C@@H]1C(=O)O)C(=O)O PI-48856 [0,1,0,1,0,0|2,0,0]=4 217 B10R1.361 O=C([C@H]1[C@@H](C(O)=O)CC1)O PI-41496 [0,1,0,1,0,0|2,0,0]=4 218 B8R0.28 C(C(=O)N)SCC(=O)N PI-29144 [1,0,0,0,0,1|1,0,0]=3 219 B8R0.28 C(CC(=O)Cl)CC(=O)Cl PI-46857 [1,0,0,0,0,1|2,0,0]=4 220 B8R0.28 CC(=O)CCCC(=O)C PI-42581 [1,0,0,0,0,1|2,0,0]=4 221 B8R0.28 CC(=O)NCCC(=O)O PI-26539 [1,0,0,0,0,1|1,0,0]=3 222 B8R0.28 NC(=N)NCCC(=O)O PI-11247 [1,0,0,0,0,1|1,0,0]=3 223 B10R0.96 C(CC(=O)O)C(CC(=O)O)N PI-43828 [0,0,0,0,0,2|1,0,0]=3 224 B10R0.98 C(CC(C(=O)O)N)CC(=O)O PI-17860 [0,0,0,0,0,2|1,0,0]=3 225 B10R0.98 OC(=O)CCC[C@@H](C(=O)O)N PI-27075 [0,0,0,0,0,2|1,0,0]=3 226 B10R0.98 OC(=O)CCC[C@H](C(=O)O)N PI-14324 [0,0,0,0,0,2|1,0,0]=3 227 B10R0.98 OC(=O)CSC[C@@H](C(=O)O)N PI-12973 [0,0,0,0,0,2|1,0,0]=3