0 B6R0.1 CCNC(=O)OC DB03919 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.1 CCOC(=O)NC DB02856 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.1 CC(=O)CCO DB04094 [1,0,0,0,0,0|2,0,0]=3 3 B5R0.1 CCCC(=O)O DB03568 [1,0,0,0,0,0|1,0,0]=2 4 B5R0.1 CCCC(N)=O DB02121 [1,0,0,0,0,0|2,0,0]=3 5 B5R0.1 CSCC(=O)[O-] DB03517 [1,0,0,0,0,0|0,0,1]=2 6 B5R0.1 CSC[S@](C)=O DB02311 [1,0,0,0,0,0|1,0,0]=2 7 B5R0.1 C[Se]CC(=O)[O-] DB03098 [1,0,0,0,0,0|0,1,1]=3 8 B5R0.1 C[Te]CC(=O)[O-] DB01918 [1,0,0,0,0,0|0,1,1]=3 9 B5R0.1 C\C=C\C(=O)O DB02074 [1,0,0,0,0,0|1,0,1]=3 10 B5R0.1 NCCC(=O)O DB03107 [1,0,0,0,0,0|2,0,0]=3 11 B5R0.1 NOCC(=O)O DB02079 [1,0,0,0,0,0|1,1,0]=3 12 B5R0.1 O=C(O)CCO DB03688 [1,0,0,0,0,0|2,0,0]=3 13 B5R0.2 COCCOC DB01749 [1,0,0,0,0,0|0,1,1]=3 14 B5R0.3 O=C(CO)CO DB01775 [1,0,0,0,0,0|2,1,0]=4 15 B7R0.7 CCO[PH](=O)OCC DB02811 [0,1,0,0,0,0|3,0,0]=4 16 B7R1.3 O=C1CCCCC1 DB02060 [0,0,0,1,0,0|2,0,0]=3 17 B4R0.1 C=CC(=O)O DB02579 [2,0,0,0,0,0|0,0,2]=4 18 B4R0.1 CC(=O)C=O DB03587 [2,0,0,0,0,0|0,1,1]=4 19 B4R0.1 CC(=O)O[Hg+] DB02176 [2,0,0,0,0,0|1,0,0]=3 20 B4R0.1 CCC(N)=O DB04161 [2,0,0,0,0,0|1,0,0]=3 21 B4R0.1 CC[C@@H](C)O DB02606 [2,0,0,0,0,0|0,0,2]=4 22 B4R0.1 NCC(N)=O DB03636 [2,0,0,0,0,0|2,0,0]=4 23 B4R0.1 O=C(O)CBr DB02198 [2,0,0,0,0,0|1,0,0]=3 24 B4R0.1 O=CC(=O)O DB04343 [2,0,0,0,0,0|0,1,1]=4 25 B4R0.2 CCCCO DB02145 [2,0,0,0,0,0|1,0,1]=4 26 B4R0.2 COCCO DB02806 [2,0,0,0,0,0|0,1,1]=4 27 B4R0.2 C\C=C\C=O DB04381 [2,0,0,0,0,0|1,0,1]=4 28 B4R0.2 O=CCC=O DB03057 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.2 CC(=O)CC(=O)O DB01762 [1,1,0,0,0,0|1,0,0]=3 30 B6R0.2 CC(C)CC(=O)O DB03750 [1,1,0,0,0,0|1,0,0]=3 31 B6R0.2 CN(C)CC(=O)O DB02083 [1,1,0,0,0,0|1,0,0]=3 32 B6R0.2 NC(=O)CC(=O)O DB02649 [1,1,0,0,0,0|2,0,0]=4 33 B6R0.2 O=C(O)CC(=O)O DB02175 [1,1,0,0,0,0|2,0,0]=4 34 B6R0.3 C#C[C@H](N)C(=O)O DB04217 [1,1,0,0,0,0|1,0,1]=4 35 B6R0.3 C=C(NC)C(=O)O DB03920 [1,1,0,0,0,0|1,0,1]=4 36 B6R0.3 C=C[C@H](N)C(=O)O DB03214 [1,1,0,0,0,0|1,0,1]=4 37 B6R0.3 CCC(=O)C(=O)O DB04553 [1,1,0,0,0,0|1,0,1]=4 38 B6R0.3 CC[C@@H](C)C(=O)O DB03741 [1,1,0,0,0,0|1,0,0]=3 39 B6R0.3 CC[C@@H](N)C(=O)O DB04454 [1,1,0,0,0,0|1,0,0]=3 40 B6R0.3 C\C=C(/N)C(=O)O DB03720 [1,1,0,0,0,0|1,0,1]=4 41 B6R0.3 N[C@@H](C[NH3+])C(=O)O DB03320 [1,1,0,0,0,0|2,0,0]=4 42 B6R0.3 N[C@@H](C[SeH])C(=O)O DB02345 [1,1,0,0,0,0|2,0,0]=4 43 B6R0.3 N[C@H](CO)C(=O)O DB03929 [1,1,0,0,0,0|2,0,0]=4 44 B6R0.3 N[C@H](CS)C(=O)O DB03201 [1,1,0,0,0,0|2,0,0]=4 45 B6R0.4 CCCCC(=O)O DB02406 [1,1,0,0,0,0|1,0,0]=3 46 B6R0.4 CCCOC(C)=O DB01670 [1,1,0,0,0,0|1,0,0]=3 47 B8R0.8 CSCCC(=O)C(=O)O DB02238 [0,2,0,0,0,0|2,0,0]=4 48 B6R1.2 O=C1CCCO1 DB04699 [1,0,0,1,0,0|1,0,0]=3 49 B6R1.1 C1CCOCC1 DB02412 [1,0,0,1,0,0|1,0,1]=4 50 B6R1.1 C1COCCO1 DB03316 [1,0,0,1,0,0|0,1,1]=4 51 B8R1.4 C[C@H]1CC=CC(=O)O1 DB14121 [0,1,0,1,0,0|1,0,1]=4