0 B7R0.6 CC(=O)CCC(=O)O Amb534169 [0,0,0,0,0,0|1,0,1]=2 1 B7R0.6 N=C(N)NCC(=O)O Amb2781642 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.4 CC(C)CN=C=S Amb6565431 [1,0,0,0,0,0|1,1,1]=4 3 B6R0.4 CCCCC(=O)O Amb3939877 [1,0,0,0,0,0|0,0,0]=1 4 B6R0.4 CCCCC(C)O Amb4605977 [1,0,0,0,0,0|1,0,1]=3 5 B6R0.4 O=CNCC(=O)O Amb1911508 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.9 COC(=O)CCC(=O)O Amb6538024 [0,1,0,0,0,0|1,0,1]=3 7 B8R0.23 CC(C)CC(N)C(=O)O Amb2720579 [0,1,0,0,0,0|0,0,0]=1 8 B8R0.23 CC(C)CC(N)C(=O)O Amb4134814 [0,1,0,0,0,0|0,0,0]=1 9 B8R0.23 CC(CC(=O)O)C(=O)O Amb1935053 [0,1,0,0,0,0|2,0,1]=4 10 B8R0.23 NC(=O)CC(N)C(=O)O Amb17749060 [0,1,0,0,0,0|2,0,1]=4 11 B8R0.23 NC(=O)CC(N)C(=O)O Amb3940760 [0,1,0,0,0,0|2,0,1]=4 12 B8R0.23 NC(CC(=O)O)C(=O)O Amb3940320 [0,1,0,0,0,0|2,0,1]=4 13 B8R0.23 NC(CC(=O)O)C(=O)O Amb6599992 [0,1,0,0,0,0|2,0,1]=4 14 B8R0.23 NC(CC(=O)O)C(=O)O Amb9825326 [0,1,0,0,0,0|2,0,1]=4 15 B8R0.23 O=C(O)CC(O)C(=O)O Amb4166311 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.23 O=C(O)CC(O)C(=O)O Amb6599993 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.23 O=C(O)CC(O)C(=O)O Amb9702775 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.29 CN(C)CCP(=O)(O)O Amb26639131 [0,1,0,0,0,0|2,0,0]=3 19 B6R0.2 CC(C)CC(=O)O Amb3939848 [0,0,0,0,1,0|0,0,0]=1 20 B8R0.28 O=C(O)CCCC(=O)O Amb4037276 [0,0,0,0,0,1|2,0,1]=4 21 B5R0.1 C#CCC(=O)O Amb6272489 [2,0,0,0,0,0|0,0,2]=4 22 B5R0.1 C=C(C)CCO Amb8513522 [2,0,0,0,0,0|0,0,2]=4 23 B5R0.1 CC(C)=CCO Amb4605830 [2,0,0,0,0,0|0,0,2]=4 24 B5R0.1 CC(C)CC=O Amb3939851 [2,0,0,0,0,0|0,0,0]=2 25 B5R0.1 CC(C)CCO Amb4605831 [2,0,0,0,0,0|0,0,0]=2 26 B5R0.1 CCCC(=O)O Amb3939012 [2,0,0,0,0,0|0,0,0]=2 27 B5R0.1 C\C=C\C(=O)O Amb8385856 [2,0,0,0,0,0|0,0,2]=4 28 B5R0.2 CCCCCC Amb2447471 [2,0,0,0,0,0|1,0,1]=4 29 B7R0.4 CCCCCC(=O)O Amb3939846 [1,1,0,0,0,0|0,0,0]=2 30 B7R0.4 CCCCCC(C)C Amb8513253 [1,1,0,0,0,0|1,0,1]=4 31 B7R0.4 CCC\C=C\C(=O)O Amb2688715 [1,1,0,0,0,0|0,0,1]=3 32 B7R0.4 NCCCCC(=O)O Amb3941646 [1,1,0,0,0,0|0,0,0]=2 33 B7R0.5 CCCC(N)C(=O)O Amb8514700 [1,1,0,0,0,0|0,0,0]=2 34 B7R0.5 CCCC(N)C(=O)O Amb8514701 [1,1,0,0,0,0|0,0,0]=2 35 B7R0.5 CC\C=C(/C)C(=O)O Amb2689584 [1,1,0,0,0,0|0,0,2]=4 36 B7R0.5 NC(CCO)C(=O)O Amb6600040 [1,1,0,0,0,0|1,0,0]=3 37 B7R0.5 NC(CCO)C(=O)O Amb8514287 [1,1,0,0,0,0|1,0,0]=3 38 B7R0.5 NC(CCS)C(=O)O Amb6600039 [1,1,0,0,0,0|1,0,0]=3 39 B7R0.8 NCCCS(=O)(=O)O Amb3940464 [1,1,0,0,0,0|2,0,0]=4 40 B7R0.9 C[N+](C)(C)CC(=O)O Amb6599998 [0,1,0,0,1,0|1,0,0]=3 41 B7R0.16 CC(C)C(N)C(=O)O Amb2720566 [0,1,0,0,1,0|0,0,0]=2 42 B7R0.16 CC(O)C(N)C(=O)O Amb6297293 [0,1,0,0,1,0|1,0,0]=3 43 B7R0.16 CC(O)C(N)C(=O)O Amb6599999 [0,1,0,0,1,0|1,0,0]=3 44 B7R0.16 CC(O)C(N)C(=O)O Amb8514159 [0,1,0,0,1,0|1,0,0]=3 45 B9R0.7 CC(=O)OCC(N)C(=O)O Amb22756697 [0,1,0,0,0,1|1,0,1]=4 46 B9R0.7 CS(=O)CCC(N)C(=O)O Amb19133021 [0,1,0,0,0,1|2,0,0]=4 47 B9R0.56 CC(=O)OCC[N+](C)(C)C Amb4605813 [0,1,0,0,0,1|2,0,0]=4 48 B9R0.42 COC(=O)CC(O)C(=O)O Amb23603858 [0,2,0,0,0,0|1,0,1]=4 49 B9R0.11 CC(C)C(C)(O)CC(=O)O Amb18991699 [0,2,0,0,0,0|0,0,0]=2 50 B7R1.3 O=C1COCCN1 Amb15691115 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.35 O=C(O)C1CC(O)CN1 Amb5718663 [0,0,0,1,0,1|1,0,0]=3 52 B5R0.5 CC(=O)C(=O)O Amb932807 [0,0,0,0,2,0|1,0,1]=4 53 B5R0.5 CC(=O)N(C)C Amb2793066 [0,0,0,0,2,0|2,0,0]=4 54 B5R0.5 CC(N)C(=O)O Amb3940457 [0,0,0,0,2,0|1,0,0]=3 55 B5R0.5 CC(N)C(=O)O Amb6298336 [0,0,0,0,2,0|1,0,0]=3 56 B5R0.5 CC(O)C(=O)O Amb6600026 [0,0,0,0,2,0|1,0,0]=3