0 B9R0.27 CCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210202 [0,0,0,0,0,0|1,0,3]=4 1 B9R0.27 CNC(=O)[C@H](O)[C@H](O)CO 240690a_100102657272_100015448053 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.27 O=C(CF)[C@H](O)[C@H](O)CO 1458a_100015448053_100015361967 [0,0,0,0,0,0|1,0,3]=4 3 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200000210301 [1,0,0,0,0,0|1,0,1]=3 4 B8R0.2 [13CH3]C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200025704644 [1,0,0,0,0,0|1,0,1]=3 5 B8R0.3 C=CCC(=O)C(O)CO 1458a_100011215603_100000210623 [1,0,0,0,0,0|1,0,2]=4 6 B8R0.3 CC(CO)N(C)CC=O 2230a_100000693034_200015260668 [1,0,0,0,0,0|3,0,0]=4 7 B8R0.3 CC(CO)N(C)CC=O 269982a_100000693034_200015260668 [1,0,0,0,0,0|3,0,0]=4 8 B10R0.35 C=CCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210623 [0,1,0,0,0,0|1,0,2]=4 9 B10R0.56 CC(=O)C(C)C(=O)C(O)CO 1458a_100011215603_100000179758 [0,1,0,0,0,0|1,0,2]=4 10 B10R0.56 CC(C(=O)N)C(=O)C(O)CO 1458a_100011215603_100000702099 [0,1,0,0,0,0|1,0,2]=4 11 B10R0.56 NC(=O)C(F)C(=O)C(O)CO 1458a_100011215603_100009813875 [0,1,0,0,0,0|1,0,2]=4 12 B10R0.56 O=C([O-])C(F)C(=O)C(O)CO 1458a_100011215603_100020610796 [0,1,0,0,0,0|1,0,2]=4 13 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [2,0,0,0,0,0|2,0,0]=4 14 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [2,0,0,0,0,0|2,0,0]=4 15 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [2,0,0,0,0,0|2,0,0]=4 16 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [2,0,0,0,0,0|2,0,0]=4 17 B7R0.7 CN(CC=O)CCO 2230a_100000210263_200015260668 [2,0,0,0,0,0|2,0,0]=4 18 B7R0.7 CN(CC=O)CCO 269982a_100000210263_200015260668 [2,0,0,0,0,0|2,0,0]=4 19 B9R0.23 NC(=O)CC(=O)C(O)CO 1458a_100011215603_100000187820 [1,1,0,0,0,0|0,0,2]=4 20 B9R0.23 O=C([O-])CC(=O)C(O)CO 1458a_100011215603_100020667443 [1,1,0,0,0,0|0,0,2]=4 21 B9R0.34 CN(CC=O)CC(O)CO 2230a_100011216503_200015260668 [1,1,0,0,0,0|2,0,0]=4 22 B9R0.34 CN(CC=O)CC(O)CO 269982a_100011216503_200015260668 [1,1,0,0,0,0|2,0,0]=4 23 B9R0.42 CC(=O)N(C)CC(O)CO 240690a_100011216503_100015343762 [1,1,0,0,0,0|2,0,0]=4 24 B9R0.42 CC(=O)N(C)CC(O)CO 527a_100011216503_100103153847 [1,1,0,0,0,0|2,0,0]=4 25 B11R0.63 NC(=O)CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000187820 [0,2,0,0,0,0|0,0,2]=4 26 B11R0.63 O=C([O-])CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100020667443 [0,2,0,0,0,0|0,0,2]=4 27 B9R0.24 C=CC(C)OCC(O)CO 34a_100000695699_100011219619 [1,0,0,0,0,1|2,0,0]=4 28 B9R0.24 C=CC(C)OC[C@@H](O)CO 34a_100000695699_100009815848 [1,0,0,0,0,1|2,0,0]=4 29 B9R0.24 C=CC(C)SCC(O)CO 62a_100011215867_100011219619 [1,0,0,0,0,1|2,0,0]=4 30 B9R0.24 C=CC(C)SC[C@@H](O)CO 62a_100011215867_100009815848 [1,0,0,0,0,1|2,0,0]=4 31 B9R0.24 C=CC(O)CN[C@H](C)CO 2230a_100000737577_100000730141 [1,0,0,0,0,1|2,0,0]=4 32 B9R0.24 C=CC(O)CSC(C)CO 62a_100012180447_100000730141 [1,0,0,0,0,1|2,0,0]=4 33 B9R0.24 C=CC(O)CS[C@H](C)CO 62a_100000730141_100016084084 [1,0,0,0,0,1|2,0,0]=4 34 B9R0.24 C=CC(O)CS[C@H](C)CO 62a_100016084084_100000730141 [1,0,0,0,0,1|2,0,0]=4