0 B8R0.37 C=C(Cl)C(C)(C)C(=O)O CS-M0093 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.37 CC(C)(C(=O)O)C(=O)O CS-W007894 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.37 CC(C)(C(N)=O)C(N)=O CS-0161560 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.37 CC(C)C(C)(N)C(=O)O CS-0154330 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.37 CC(C)C(C)(N)C(N)=O CS-0019531 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.37 CC(C)[C@@](C)(N)C(=O)O CS-W011102 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.37 CN(C)C(C)(C)C(=O)O CS-0166674 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.13 C#CC(C)(C)C(=O)O CS-W018866 [1,0,0,0,0,0|1,0,2]=4 8 B7R0.13 C=CC(C)(C)C(=O)O CS-W006345 [1,0,0,0,0,0|1,0,1]=3 9 B7R0.13 CC(=O)C(C)(C)C#N CS-0006089 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.13 CC(C)(C#N)C(=O)O CS-0066959 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.13 CC(C)(CCl)C(=O)O CS-0140560 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.13 CC(C)(CF)C(=O)O CS-W005928 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.13 CC(C)(CN)C(=O)O CS-0107300 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.13 CC(C)(CO)C(=O)O CS-W011224 [1,0,0,0,0,0|1,0,2]=4 15 B7R0.13 CC(C)(ON)C(=O)O CS-0377037 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.13 CCC(C)(C)C(=O)O CS-W016597 [1,0,0,0,0,0|1,0,1]=3 17 B7R0.13 CCC(C)(O)C(=O)O CS-W016590 [1,0,0,0,0,0|0,0,1]=2 18 B7R0.13 CC[C@@](C)(N)C(=O)O CS-W008544 [1,0,0,0,0,0|1,0,1]=3 19 B7R0.13 CC[C@](C)(N)C(=O)O CS-0433358 [1,0,0,0,0,0|1,0,1]=3 20 B7R0.13 CC[C@](C)(N)C(=O)O CS-W020180 [1,0,0,0,0,0|1,0,1]=3 21 B7R0.13 CNC(C)(C)C(=O)O CS-0142453 [1,0,0,0,0,0|2,0,0]=3 22 B7R0.13 COC(C)(C)C(=O)O CS-0046912 [1,0,0,0,0,0|2,0,0]=3 23 B7R0.13 C[C@@](N)(CO)C(=O)O CS-0136603 [1,0,0,0,0,0|1,0,2]=4 24 B7R0.13 C[C@@](N)(CS)C(=O)O CS-0308069 [1,0,0,0,0,0|1,1,1]=4 25 B7R0.13 C[C@@](O)(CBr)C(=O)O CS-W017072 [1,0,0,0,0,0|1,0,1]=3 26 B7R0.13 C[C@](N)(CO)C(=O)O CS-W008467 [1,0,0,0,0,0|1,0,2]=4 27 B7R0.13 C[C@](O)(CBr)C(=O)O CS-W019154 [1,0,0,0,0,0|1,0,1]=3 28 B7R0.16 CC(=O)C(C)C(C)=O CS-0095844 [1,0,0,0,0,0|1,0,0]=2 29 B7R0.16 CC(=O)C(N)C(C)=O CS-0216785 [1,0,0,0,0,0|2,0,0]=3 30 B7R0.16 CC(C(=O)O)C(=O)O CS-0027817 [1,0,0,0,0,0|1,0,0]=2 31 B7R0.16 CC(C)C(Br)C(=O)O CS-0498321 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.16 CC(C)C(C)C(=O)O CS-0138076 [1,0,0,0,0,0|1,0,1]=3 33 B7R0.16 CC(C)C(Cl)C(=O)O CS-0343571 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.16 CC(C)C(N)C(=O)O CS-W013605 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.16 CC(C)C(O)C(=O)O CS-W008150 [1,0,0,0,0,0|1,0,1]=3 36 B7R0.16 CC(C)[C@@H](Br)C(=O)O CS-W017175 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.16 CC(C)[C@@H](N)C(=O)O CS-0010218 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.16 CC(C)[C@@H](O)C(=O)O CS-B0167 [1,0,0,0,0,0|1,0,1]=3 39 B7R0.16 CC(C)[C@H](Cl)C(=O)O CS-0198767 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.16 CC(C)[C@H](N)C(=O)O CS-W020706 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.16 CC(C)[C@H](O)C(=O)O CS-0000171 [1,0,0,0,0,0|1,0,1]=3 42 B7R0.16 CC(O)C(C)C(=O)O CS-0116129 [1,0,0,0,0,0|0,0,2]=3 43 B7R0.16 C[C@@H](C(=O)O)N(C)C CS-0158278 [1,0,0,0,0,0|2,0,0]=3 44 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CS-W001959 [1,0,0,0,0,0|1,0,2]=4 45 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CS-W020046 [1,0,0,0,0,0|1,0,2]=4 46 B7R0.16 C[C@H](C(=O)O)N(C)C CS-0158218 [1,0,0,0,0,0|2,0,0]=3 47 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CS-W013590 [1,0,0,0,0,0|1,0,2]=4 48 B7R0.16 NC(=O)C(N)C(N)=O CS-M1513 [1,0,0,0,0,0|3,0,0]=4 49 B7R0.16 O=C(O)C(O)C(=O)O CS-W013581 [1,0,0,0,0,0|1,0,0]=2 50 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O CS-W008315 [1,0,0,0,0,0|1,0,2]=4 51 B9R0.28 COC(=O)C(C)(C)C(=O)O CS-W004424 [0,1,0,0,0,0|1,0,0]=2 52 B9R0.28 COC(=O)C(C)(C)C(C)=O CS-M0049 [0,1,0,0,0,0|1,0,0]=2 53 B9R0.80 CC(=O)[C@@](C)(O)C(F)(F)F CS-0636574 [0,1,0,0,0,0|2,0,1]=4 54 B9R0.80 CC(O)(C(=O)O)C(F)(F)F CS-0121382 [0,1,0,0,0,0|2,0,1]=4 55 B9R0.80 C[C@@](O)(C(=O)O)C(F)(F)F CS-W000653 [0,1,0,0,0,0|2,0,1]=4 56 B9R0.80 C[C@](O)(C(=O)O)C(F)(F)F CS-W010905 [0,1,0,0,0,0|2,0,1]=4 57 B9R1.165 CC(O)(C(=O)O)C1CC1 CS-0224301 [0,0,0,1,0,0|1,0,1]=3 58 B9R1.168 CN(C)C1(C(=O)O)CC1 CS-W021255 [0,0,0,1,0,0|3,0,0]=4 59 B9R1.168 O=C(O)C1(C(=O)O)CC1 CS-W002094 [0,0,0,1,0,0|2,0,0]=3 60 B9R0.11 CC(C)(CC(=O)O)C(=O)O CS-W016357 [0,0,0,0,0,1|2,0,0]=3 61 B9R0.11 CC(O)(CC(=O)O)C(=O)O CS-0231763 [0,0,0,0,0,1|1,0,0]=2 62 B6R0.3 C(C)=C(/C)C(=O)O CS-W009553 [2,0,0,0,0,0|0,0,1]=3 63 B6R0.3 C=CC(C)C(=O)O CS-0006592 [2,0,0,0,0,0|0,0,1]=3 64 B6R0.3 C=CN(C)C(C)=O CS-W013718 [2,0,0,0,0,0|2,0,0]=4 65 B6R0.3 C=C[C@@H](N)C(=O)O CS-0131608 [2,0,0,0,0,0|1,0,1]=4 66 B6R0.3 C=C[C@H](N)C(=O)O CS-D0476 [2,0,0,0,0,0|1,0,1]=4 67 B6R0.3 CC(C#N)C(=O)O CS-0139286 [2,0,0,0,0,0|1,0,1]=4 68 B6R0.3 CC(CBr)C(=O)O CS-W016048 [2,0,0,0,0,0|1,0,1]=4 69 B6R0.3 CC(CN)C(=O)O CS-W013690 [2,0,0,0,0,0|1,0,1]=4 70 B6R0.3 CCC(N)C(=O)O CS-W011306 [2,0,0,0,0,0|1,0,1]=4 71 B6R0.3 CCC(O)C(N)=O CS-0232591 [2,0,0,0,0,0|1,0,1]=4 72 B6R0.3 CC[C@@H](Br)C(=O)O CS-0142640 [2,0,0,0,0,0|1,0,1]=4 73 B6R0.3 CC[C@@H](C)C(=O)O CS-0130653 [2,0,0,0,0,0|0,0,1]=3 74 B6R0.3 CC[C@@H](N)C(=O)O CS-D1130 [2,0,0,0,0,0|1,0,1]=4 75 B6R0.3 CC[C@@H](O)C(=O)O CS-0107851 [2,0,0,0,0,0|0,0,1]=3 76 B6R0.3 CC[C@H](Br)C(=O)O CS-0188297 [2,0,0,0,0,0|1,0,1]=4 77 B6R0.3 CC[C@H](C)C(=O)O CS-0120626 [2,0,0,0,0,0|0,0,1]=3 78 B6R0.3 CC[C@H](N)C(=O)O CS-0044026 [2,0,0,0,0,0|1,0,1]=4 79 B6R0.3 CC[C@H](O)C(=O)O CS-W019285 [2,0,0,0,0,0|0,0,1]=3 80 B6R0.3 CNC(C)C(=O)O CS-W011307 [2,0,0,0,0,0|1,0,0]=3 81 B6R0.3 CN[C@H](C)C(=O)O CS-0094542 [2,0,0,0,0,0|1,0,0]=3 82 B6R0.3 COC(C)C(=O)O CS-W004806 [2,0,0,0,0,0|1,0,0]=3 83 B6R0.3 CO[C@@H](C)C(=O)O CS-D0537 [2,0,0,0,0,0|1,0,0]=3 84 B6R0.3 C[C@@H](CN)C(=O)O CS-0059829 [2,0,0,0,0,0|1,0,1]=4 85 B6R0.3 C[C@@H](CN)C(=O)O CS-0062338 [2,0,0,0,0,0|1,0,1]=4 86 B6R0.3 C[C@H](CN)C(=O)O CS-0059837 [2,0,0,0,0,0|1,0,1]=4 87 B6R0.3 C[C@H](CN)C(=O)O CS-0444634 [2,0,0,0,0,0|1,0,1]=4 88 B6R0.3 C\C=C(/C)C(=O)O CS-0356606 [2,0,0,0,0,0|0,0,1]=3 89 B6R0.3 C\C=C(/C)C(=O)O CS-W013715 [2,0,0,0,0,0|0,0,1]=3 90 B6R0.3 NCC(O)C(=O)O CS-W013682 [2,0,0,0,0,0|1,0,1]=4 91 B6R0.3 NC[C@@H](O)C(=O)O CS-0105320 [2,0,0,0,0,0|1,0,1]=4 92 B6R0.3 O=C(O)C(O)CCl CS-0186802 [2,0,0,0,0,0|1,0,1]=4 93 B6R0.3 O=C(O)C(O)CO CS-W018821 [2,0,0,0,0,0|0,0,2]=4 94 B6R0.3 [C@@H](C)(NC)C(=O)O CS-W016642 [2,0,0,0,0,0|1,0,0]=3 95 B6R0.3 [C@H](C)(OC)C(=O)O CS-0044100 [2,0,0,0,0,0|1,0,0]=3 96 B6R0.3 [C@H](N)(CC)C(=O)O CS-W011305 [2,0,0,0,0,0|1,0,1]=4 97 B6R0.3 [C@H](O)(CN)C(=O)O CS-W013683 [2,0,0,0,0,0|1,0,1]=4 98 B6R0.7 CC(=O)C(C)(C)Br CS-0197854 [2,0,0,0,0,0|1,0,1]=4 99 B6R0.7 CC(=O)C(C)(C)O CS-W016644 [2,0,0,0,0,0|0,0,1]=3 100 B6R0.7 CC(C)(Br)C(=O)Br CS-0008515 [2,0,0,0,0,0|2,0,0]=4 101 B6R0.7 CC(C)(Br)C(=O)O CS-W017850 [2,0,0,0,0,0|1,0,0]=3 102 B6R0.7 CC(C)(Br)C(N)=O CS-W004757 [2,0,0,0,0,0|2,0,0]=4 103 B6R0.7 CC(C)(C)C(=O)O CS-D1464 [2,0,0,0,0,0|1,0,0]=3 104 B6R0.7 CC(C)(C)C(=O)[O-] CS-0035148 [2,0,0,0,0,0|1,0,1]=4 105 B6R0.7 CC(C)(C)C(=O)[O-] CS-0198961 [2,0,0,0,0,0|1,0,1]=4 106 B6R0.7 CC(C)(F)C(=O)O CS-0022383 [2,0,0,0,0,0|1,0,0]=3 107 B6R0.7 CC(C)(N)C(=O)O CS-B0930 [2,0,0,0,0,0|1,0,0]=3 108 B6R0.7 CC(C)(N)C(N)=O CS-0205637 [2,0,0,0,0,0|2,0,0]=4 109 B6R0.7 CC(C)(O)C(=N)N CS-0036093 [2,0,0,0,0,0|2,0,0]=4 110 B6R0.7 CC(C)(O)C(=O)O CS-W016640 [2,0,0,0,0,0|0,0,0]=2 111 B6R0.7 CC(C)(O)C(N)=O CS-0154975 [2,0,0,0,0,0|1,0,0]=3 112 B6R0.2 CC(=O)CC(N)=O CS-0134202 [2,0,0,0,0,0|1,0,0]=3 113 B6R0.2 CC(=O)[CH-]C(C)=O CS-0196895 [2,0,0,0,0,0|1,0,1]=4 114 B6R0.2 CC(C)=CC(=O)O CS-W011327 [2,0,0,0,0,0|1,0,1]=4 115 B6R0.2 CC(C)CC(=O)O CS-0881782 [2,0,0,0,0,0|1,0,1]=4 116 B6R0.2 CC(C)CC(=O)O CS-W013696 [2,0,0,0,0,0|1,0,1]=4 117 B6R0.2 CC(N)CC(=O)O CS-W009549 [2,0,0,0,0,0|1,0,1]=4 118 B6R0.2 CC(O)CC(=O)O CS-0062335 [2,0,0,0,0,0|0,0,2]=4 119 B6R0.2 CN(C)CC(=O)O CS-D1391 [2,0,0,0,0,0|2,0,0]=4 120 B6R0.2 CN(C)CC(=O)O CS-W001158 [2,0,0,0,0,0|2,0,0]=4 121 B6R0.2 C[C@H](N)CC(=O)O CS-0031371 [2,0,0,0,0,0|1,0,1]=4 122 B6R0.2 C[C@H](N)CC(=O)O CS-W001210 [2,0,0,0,0,0|1,0,1]=4 123 B6R0.2 C[C@H](O)CC(=O)O CS-0031375 [2,0,0,0,0,0|0,0,2]=4 124 B6R0.2 C\C(Cl)=C/C(=O)O CS-0834363 [2,0,0,0,0,0|1,0,1]=4 125 B6R0.2 C\C(Cl)=C\C(=O)O CS-0834361 [2,0,0,0,0,0|1,0,1]=4 126 B6R0.2 NC(=O)CC(=O)O CS-0149950 [2,0,0,0,0,0|1,0,0]=3 127 B6R0.2 NC(=O)CC(N)=O CS-W011312 [2,0,0,0,0,0|2,0,0]=4 128 B6R0.2 O=C(O)[Ca]C(=O)O CS-0160132 [2,0,0,0,0,0|2,0,0]=4 129 B6R0.2 [C@H](C)(N)CC(=O)O CS-0044025 [2,0,0,0,0,0|1,0,1]=4 130 B6R0.2 [C@H](C)(N)CC(=O)O CS-W005235 [2,0,0,0,0,0|1,0,1]=4 131 B6R0.2 [C@H](C)(O)CC(=O)O CS-0044101 [2,0,0,0,0,0|0,0,2]=4 132 B8R0.12 C=CCC(C)(C)C(=O)O CS-W016552 [1,1,0,0,0,0|1,0,1]=4 133 B8R0.12 C=CC[C@](C)(N)C(=O)O CS-0089888 [1,1,0,0,0,0|1,0,1]=4 134 B8R0.12 CCCC(C)(C)C(=O)O CS-0205424 [1,1,0,0,0,0|1,0,1]=4 135 B8R0.13 COC(=O)C(C)(C)CO CS-W013414 [1,1,0,0,0,0|1,0,1]=4 136 B8R0.13 COC(=O)C(C)(N)CO CS-0112989 [1,1,0,0,0,0|1,0,1]=4 137 B8R0.36 CC(CO)(CO)C(=O)O CS-0015105 [1,1,0,0,0,0|0,0,2]=4 138 B8R0.36 CCC(C)(CC)C(=O)O CS-0217822 [1,1,0,0,0,0|1,0,1]=4 139 B8R0.36 CCC(N)(CC)C(=O)O CS-W005544 [1,1,0,0,0,0|1,0,1]=4 140 B8R0.36 COC(C)(OC)C(C)=O CS-W011092 [1,1,0,0,0,0|2,0,0]=4 141 B8R0.2 COC(=O)C(C)C(=O)O CS-0072824 [1,1,0,0,0,0|0,0,0]=2 142 B8R0.2 COC(=O)C(C)C(C)=O CS-M0095 [1,1,0,0,0,0|0,0,0]=2 143 B8R0.2 COC(=O)C(Cl)C(C)=O CS-W018135 [1,1,0,0,0,0|1,0,0]=3 144 B8R0.2 COC(=O)C(O)C(C)C CS-0254529 [1,1,0,0,0,0|1,0,1]=4 145 B8R0.2 COC(=O)[C@@H](O)C(C)C CS-0186193 [1,1,0,0,0,0|1,0,1]=4 146 B8R0.2 COC(=O)[C@H](O)C(C)C CS-0160105 [1,1,0,0,0,0|1,0,1]=4 147 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO CS-0064614 [1,1,0,0,0,0|0,0,2]=4 148 B8R0.18 CC(=O)C(=NO)C(C)=O CS-0215439 [1,1,0,0,0,0|1,0,1]=4 149 B8R0.18 CC(C)[C@@H](CN)C(=O)O CS-0095544 [1,1,0,0,0,0|1,0,1]=4 150 B8R0.18 CC(C)[C@@H](CN)C(=O)O CS-0143434 [1,1,0,0,0,0|1,0,1]=4 151 B8R0.18 CC(C)[C@H](CN)C(=O)O CS-0061014 [1,1,0,0,0,0|1,0,1]=4 152 B8R0.18 CC(C)[C@H](CN)C(=O)O CS-0143436 [1,1,0,0,0,0|1,0,1]=4 153 B8R0.18 CCC(C(=O)O)C(=O)O CS-0022369 [1,1,0,0,0,0|1,0,0]=3 154 B8R0.18 CN[C@@H](C(=O)O)C(C)C CS-0010220 [1,1,0,0,0,0|1,0,1]=4 155 B8R0.18 CN[C@H](C(=O)O)C(C)C CS-0010219 [1,1,0,0,0,0|1,0,1]=4 156 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O CS-W011082 [1,1,0,0,0,0|0,0,2]=4 157 B8R0.27 CC(C)(C)C(O)C(=O)O CS-0378432 [1,1,0,0,0,0|1,0,1]=4 158 B8R0.27 CC(C)(C)[C@@H](O)C(=O)O CS-0436719 [1,1,0,0,0,0|1,0,1]=4 159 B10R0.47 COC(=O)CC(C)(C)C(=O)O CS-W022201 [0,1,0,0,0,1|1,0,0]=3 160 B10R0.119 CCC(C)(CC(=O)O)C(=O)O CS-0199192 [0,1,0,0,0,1|2,0,0]=4 161 B10R0.36 CCOC(=O)C(C)(C)C(=O)O CS-M2955 [0,2,0,0,0,0|1,0,0]=3 162 B10R0.36 CCOC(=O)C(Cl)(Cl)C(C)=O CS-W010521 [0,2,0,0,0,0|2,0,0]=4 163 B10R0.142 COC(=O)C(F)(F)C(=O)OC CS-0121280 [0,2,0,0,0,0|2,0,0]=4 164 B8R1.63 CNC1(C(=O)O)CC1 CS-0311676 [1,0,0,1,0,0|2,0,0]=4 165 B8R1.63 COC1(C(=O)O)CC1 CS-0098250 [1,0,0,1,0,0|2,0,0]=4 166 B8R1.78 CC1(C(=O)O)CCC1 CS-W005411 [1,0,0,1,0,0|1,0,1]=4 167 B8R1.78 NC1(C(=O)O)CCC1 CS-B0092 [1,0,0,1,0,0|1,0,1]=4 168 B8R1.78 NC1(C(=O)O)CCC1 CS-D0209 [1,0,0,1,0,0|1,0,1]=4 169 B8R1.78 O=C(O)C1(Br)CCC1 CS-0040826 [1,0,0,1,0,0|1,0,1]=4 170 B8R1.78 O=C(O)C1(O)CCC1 CS-0052945 [1,0,0,1,0,0|0,0,1]=3 171 B8R1.78 O=C(O)C1(O)COC1 CS-0051333 [1,0,0,1,0,0|0,0,2]=4 172 B8R1.50 CC1=C(O)C(=O)CO1 CS-W013643 [1,0,0,1,0,0|1,0,1]=4 173 B8R1.50 CC1=C(O)COC1=O CS-0085459 [1,0,0,1,0,0|0,0,2]=4 174 B8R1.50 CC1C(=O)CCC1=O CS-W013660 [1,0,0,1,0,0|1,0,0]=3 175 B8R1.50 CN1C(=O)CCC1=O CS-0151201 [1,0,0,1,0,0|2,0,0]=4 176 B8R1.50 CN1C(=O)CNC1=O CS-0038030 [1,0,0,1,0,0|2,0,0]=4 177 B8R1.50 CN1C(=O)CSC1=O CS-W021969 [1,0,0,1,0,0|1,1,0]=4 178 B8R1.50 O=C1CCC(=O)C1Br CS-0036203 [1,0,0,1,0,0|2,0,0]=4 179 B8R1.50 O=C1CCC(=O)N1O CS-W008598 [1,0,0,1,0,0|2,0,0]=4 180 B8R1.50 O=C1COC(=O)C1Cl CS-0155475 [1,0,0,1,0,0|1,0,0]=3 181 B8R1.50 O=C1OC[C@@H](O)[C@H]1O CS-0157912 [1,0,0,1,0,0|0,0,2]=4 182 B8R1.54 O=C(O)C(O)C1CC1 CS-0142965 [1,0,0,1,0,0|1,0,1]=4 183 B8R1.77 CC1(C)CC1C(=O)O CS-W005115 [1,0,0,1,0,0|1,0,1]=4 184 B10R1.442 CC(=O)NC1(C(=O)O)CC1 CS-W020141 [0,0,0,1,0,1|1,0,0]=3 185 B10R1.442 CC(=O)OC1(C(=O)O)CC1 CS-0654626 [0,0,0,1,0,1|1,0,0]=3 186 B10R1.114 CC1(C)C(=O)CCCC1=O CS-0052186 [0,1,0,1,0,0|2,0,0]=4 187 B10R1.291 CC(=O)C1(C)CCOC1=O CS-0204859 [0,1,0,1,0,0|1,0,0]=3 188 B10R1.425 COC(=O)C1(C(=O)O)CC1 CS-M3308 [0,1,0,1,0,0|1,0,0]=3 189 B10R1.364 NC(=O)C1(C(=O)O)CCC1 CS-0149988 [0,1,0,1,0,0|2,0,0]=4 190 B10R1.364 O=C(O)C1(C(=O)O)CCC1 CS-D1152 [0,1,0,1,0,0|2,0,0]=4 191 B8R0.23 CC(=O)N(C)CC(=O)O CS-0169319 [1,0,0,0,0,1|1,0,0]=3 192 B8R0.23 CC(=O)NC(C)C(=O)O CS-W011105 [1,0,0,0,0,1|0,0,0]=2 193 B8R0.23 CC(=O)N[C@@H](C)C(=O)O CS-W004066 [1,0,0,0,0,1|0,0,0]=2 194 B8R0.23 CC(=O)N[C@H](C)C(=O)O CS-W013429 [1,0,0,0,0,1|0,0,0]=2 195 B8R0.23 CC(=O)O[C@@H](C)C(=O)O CS-B0056 [1,0,0,0,0,1|0,0,0]=2 196 B8R0.23 CC(=O)O[C@H](C)C(=O)O CS-B0055 [1,0,0,0,0,1|0,0,0]=2 197 B8R0.23 CC(C)C[C@@H](O)C(=O)O CS-0000170 [1,0,0,0,0,1|1,0,1]=4 198 B8R0.23 CC(C)C[C@H](O)C(=O)O CS-0000169 [1,0,0,0,0,1|1,0,1]=4 199 B8R0.23 CC(CC(=O)O)C(=O)O CS-W011097 [1,0,0,0,0,1|1,0,0]=3 200 B8R0.23 CN(CC(=O)O)C(N)=O CS-0067086 [1,0,0,0,0,1|2,0,0]=4 201 B8R0.23 CS(=O)C[C@H](N)C(=O)O CS-W018120 [1,0,0,0,0,1|2,0,0]=4 202 B8R0.23 C\C(=C/C(=O)O)C(=O)O CS-0007669 [1,0,0,0,0,1|1,0,1]=4 203 B8R0.23 C\C(=C\C(=O)O)C(=O)O CS-0059543 [1,0,0,0,0,1|1,0,1]=4 204 B8R0.23 NC(=O)CC(N)C(=O)O CS-0188414 [1,0,0,0,0,1|2,0,0]=4 205 B8R0.23 NC(=O)CC(N)C(=O)O CS-W018158 [1,0,0,0,0,1|2,0,0]=4 206 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CS-W011094 [1,0,0,0,0,1|2,0,0]=4 207 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CS-W018160 [1,0,0,0,0,1|2,0,0]=4 208 B8R0.23 NC(=O)C[C@H](N)C(=O)O CS-0009702 [1,0,0,0,0,1|2,0,0]=4 209 B8R0.23 NC(=O)[C@H](N)CC(=O)O CS-0449242 [1,0,0,0,0,1|2,0,0]=4 210 B8R0.23 NC(CC(=O)O)C(=O)O CS-W016540 [1,0,0,0,0,1|2,0,0]=4 211 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CS-0009701 [1,0,0,0,0,1|2,0,0]=4 212 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] CS-0021584 [1,0,0,0,0,1|2,0,0]=4 213 B8R0.23 N[C@H](CC(=O)O)C(=O)O CS-0020434 [1,0,0,0,0,1|2,0,0]=4 214 B8R0.23 O=C(O)CC(O)C(=O)O CS-0017784 [1,0,0,0,0,1|1,0,0]=3 215 B8R0.23 O=C(O)CC(O)C(=O)O CS-0757668 [1,0,0,0,0,1|1,0,0]=3 216 B8R0.23 O=C(O)CC(S)C(=O)O CS-W010986 [1,0,0,0,0,1|1,1,0]=4 217 B8R0.23 O=C(O)C[C@@H](O)C(=O)O CS-B0824 [1,0,0,0,0,1|1,0,0]=3 218 B8R0.23 O=C(O)C[C@H](O)C(=O)O CS-W020132 [1,0,0,0,0,1|1,0,0]=3 219 B10R0.43 CC(C)(CCC(=O)O)C(=O)O CS-W017939 [0,0,0,0,0,2|2,0,0]=4 220 B10R0.165 CC(C)(CC(=O)O)CC(=O)O CS-W008097 [0,0,0,0,0,2|2,0,0]=4