0 B6R0.2 CC(=O)CC(=O)O DB01762 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.2 CC(C)CC(=O)O DB03750 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.2 CC(C)C[C@@H](C)N DB02107 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.2 CC(C)SC(=N)N DB04018 [0,0,0,0,0,0|2,1,0]=3 4 B6R0.2 CN(C)CC(=O)O DB02083 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.1 CC(=O)CCO DB04094 [1,0,0,0,0,0|2,0,0]=3 6 B5R0.1 CC(C)CCO DB02296 [1,0,0,0,0,0|1,0,2]=4 7 B5R0.1 CCCC(=O)O DB03568 [1,0,0,0,0,0|2,0,0]=3 8 B5R0.1 CCCC(N)=O DB02121 [1,0,0,0,0,0|2,0,0]=3 9 B5R0.1 CCSC(=N)N DB02234 [1,0,0,0,0,0|2,1,0]=4 10 B5R0.1 CC[Se]C(=N)N DB02589 [1,0,0,0,0,0|2,1,0]=4 11 B5R0.1 CSCC(=O)[O-] DB03517 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.1 CSC[S@](C)=O DB02311 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.1 C[Se]CC(=O)[O-] DB03098 [1,0,0,0,0,0|3,0,0]=4 14 B5R0.1 C[Te]CC(=O)[O-] DB01918 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 C\C=C\C(=O)O DB02074 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 NCCC(=O)O DB03107 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.1 O=C(O)CCO DB03688 [1,0,0,0,0,0|3,0,0]=4 18 B7R0.2 CC(C)NC(=N)NO DB02143 [0,1,0,0,0,0|2,0,1]=4 19 B7R0.2 [C@H](N)(CS)CC(=O)O DB02780 [0,1,0,0,0,0|3,0,0]=4 20 B7R0.9 CC(=O)OP(=O)(O)O DB02897 [0,1,0,0,0,0|3,0,0]=4 21 B7R0.9 CC(C)OP(=O)(O)O DB03976 [0,1,0,0,0,0|2,0,0]=3 22 B7R0.9 C[C@H](O)CC(C)(C)O DB03564 [0,1,0,0,0,0|1,0,2]=4 23 B7R0.9 C[N+](C)(C)CC(=O)O DB04455 [0,1,0,0,0,0|3,0,0]=4 24 B7R0.16 CC(C)C(=O)C(=O)O DB04074 [0,1,0,0,0,0|2,0,0]=3 25 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O DB03700 [0,1,0,0,0,0|3,0,0]=4 26 B7R0.16 [C@@H](N)(C(=O)O)[C@@H](C)N DB04804 [0,1,0,0,0,0|3,0,0]=4 27 B7R0.16 [C@H](C)(C(=O)O)N(C)C DB02167 [0,1,0,0,0,0|3,0,0]=4 28 B7R0.16 [C@H](C)(N)[C@@H](N)C(=O)O DB04802 [0,1,0,0,0,0|3,0,0]=4 29 B5R0.5 CC(=O)C(N)=O DB03578 [0,0,0,0,1,0|2,0,1]=4 30 B5R0.5 CC(=O)[C@@H](C)O DB04364 [0,0,0,0,1,0|1,0,0]=2 31 B5R0.5 CC(=O)[C@H](C)O DB02788 [0,0,0,0,1,0|1,0,0]=2 32 B5R0.5 CC(=[NH2+])C(=O)[O-] DB04212 [0,0,0,0,1,0|2,0,1]=4 33 B5R0.5 CC(C)C(=O)O DB02531 [0,0,0,0,1,0|1,0,0]=2 34 B5R0.5 C[C@@H](N)C(=O)O DB01786 [0,0,0,0,1,0|2,0,0]=3 35 B5R0.5 C[C@@H](O)C(=O)O DB03066 [0,0,0,0,1,0|2,0,0]=3 36 B5R0.5 C[C@H](O)[C@@H](C)O DB02418 [0,0,0,0,1,0|1,0,2]=4 37 B7R0.6 CC(C)CCC(=O)O DB03993 [0,0,0,0,0,1|2,0,0]=3 38 B4R0.1 CC(=O)C=O DB03587 [2,0,0,0,0,0|1,0,1]=4 39 B4R0.1 CC(=O)O[Hg+] DB02176 [2,0,0,0,0,0|1,0,0]=3 40 B4R0.1 CCC(N)=O DB04161 [2,0,0,0,0,0|1,0,0]=3 41 B4R0.1 CC[C@@H](C)O DB02606 [2,0,0,0,0,0|0,0,2]=4 42 B4R0.1 CN(C)C=O DB01844 [2,0,0,0,0,0|1,0,0]=3 43 B4R0.1 C[C@H](O)C=O DB03776 [2,0,0,0,0,0|1,0,0]=3 44 B4R0.1 NCC(N)=O DB03636 [2,0,0,0,0,0|2,0,0]=4 45 B4R0.1 O=C(O)CBr DB02198 [2,0,0,0,0,0|2,0,0]=4 46 B4R0.2 C\C=C\C=O DB04381 [2,0,0,0,0,0|1,0,1]=4 47 B6R0.1 CCNC(=O)OC DB03919 [1,1,0,0,0,0|1,0,0]=3 48 B6R0.1 CCOC(=O)NC DB02856 [1,1,0,0,0,0|0,0,0]=2 49 B6R0.3 CCC(=O)C(=O)O DB04553 [1,1,0,0,0,0|2,0,0]=4 50 B6R0.3 CC[C@@H](C)C(=O)O DB03741 [1,1,0,0,0,0|2,0,0]=4 51 B6R0.3 CC[C@@H](N)C(=O)O DB04454 [1,1,0,0,0,0|2,0,0]=4 52 B6R0.4 CCCCC(=O)O DB02406 [1,1,0,0,0,0|2,0,0]=4 53 B6R0.4 CCCOC(C)=O DB01670 [1,1,0,0,0,0|0,0,0]=2 54 B6R0.5 CC(C)(C)OC=O DB02768 [1,1,0,0,0,0|0,0,0]=2 55 B6R0.5 CCOP(=O)(O)O DB03822 [1,1,0,0,0,0|2,0,0]=4 56 B6R0.5 C[N+](C)(C)CC=O DB04401 [1,1,0,0,0,0|2,0,0]=4 57 B6R0.7 CC(C)(N)C(=O)O DB02952 [0,1,0,0,1,0|1,0,0]=3 58 B8R0.23 CC(C)CC(=O)C(=O)O DB03229 [0,1,0,0,0,1|2,0,0]=4 59 B8R0.23 CC(C)C[C@@H](N)C(=O)O DB01746 [0,1,0,0,0,1|2,0,0]=4 60 B8R0.2 CC(C)[C@@H](N)C(=O)NO DB02697 [0,2,0,0,0,0|2,0,0]=4 61 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O DB01739 [0,2,0,0,0,0|2,0,0]=4 62 B6R1.2 O=C1CCCO1 DB04699 [1,0,0,1,0,0|0,0,0]=2 63 B8R1.4 C[C@H]1CC=CC(=O)O1 DB14121 [0,1,0,1,0,0|0,0,1]=3 64 B8R1.40 [C@@H](C)(C=O)CC1CC1 DB03736 [0,1,0,1,0,0|1,0,1]=4