0 B7R0.5 C(C)=CC(=O)C(=O)O DB02005 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.5 CCC[C@H](N)C(=O)O DB04185 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.5 CSC[C@H](N)C(=O)O DB02216 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.5 NCC[C@H](N)C(=O)O DB03817 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.5 N[C@@H](CCO)C(=O)O DB04193 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.5 N[C@@H](CCS)C(=O)O DB04422 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.1 CCNC(=O)OC DB03919 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.1 CCOC(=O)NC DB02856 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.3 C=C(NC)C(=O)O DB03920 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.3 CCC(=O)C(=O)O DB04553 [1,0,0,0,0,0|1,0,0]=2 10 B6R0.3 CC[C@@H](C)C(=O)O DB03741 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.3 CC[C@@H](N)C(=O)O DB04454 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.3 C\C=C(/N)C(=O)O DB03720 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.3 O=C(O)C(=O)CO DB02951 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.4 CCCCC(=O)O DB02406 [1,0,0,0,0,0|1,0,1]=3 15 B6R0.4 CCCOC(C)=O DB01670 [1,0,0,0,0,0|1,0,0]=2 16 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O DB01739 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.8 CCCC[C@@H](N)C(=O)O DB04419 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.8 CSCCC(=O)C(=O)O DB02238 [0,1,0,0,0,0|1,0,0]=2 19 B8R0.8 CSCCC(N)C(=O)O DB13972 [0,1,0,0,0,0|2,0,1]=4 20 B8R0.8 CSCC[C@@H](N)C(=O)O DB02893 [0,1,0,0,0,0|2,0,1]=4 21 B8R0.8 N[C@@H](CCCO)C(=O)O DB03105 [0,1,0,0,0,0|2,0,1]=4 22 B8R0.23 CC(C)CC(=O)C(=O)O DB03229 [0,1,0,0,0,0|1,0,0]=2 23 B8R0.23 CC(C)C[C@@H](N)C(=O)O DB01746 [0,1,0,0,0,0|2,0,1]=4 24 B8R0.23 O=C([O-])CC(=O)C(=O)O DB02637 [0,1,0,0,0,0|2,0,1]=4 25 B8R1.7 O=C(O)[C@H]1CCCN1 DB02853 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.7 O=C(O)[C@H]1CCCO1 DB03051 [0,0,0,1,0,0|1,0,2]=4 27 B8R1.7 O=C([O-])C1=[NH+]CCC1 DB02838 [0,0,0,1,0,0|2,0,0]=3 28 B5R0.1 C=C(Br)CCO DB04592 [2,0,0,0,0,0|2,0,0]=4 29 B5R0.1 CC(=O)CCO DB04094 [2,0,0,0,0,0|1,0,0]=3 30 B5R0.1 CCCC(=O)O DB03568 [2,0,0,0,0,0|0,0,1]=3 31 B5R0.1 CCCC(N)=O DB02121 [2,0,0,0,0,0|1,0,0]=3 32 B5R0.1 CSCC(=O)[O-] DB03517 [2,0,0,0,0,0|1,0,1]=4 33 B5R0.1 CSC[S@](C)=O DB02311 [2,0,0,0,0,0|2,0,0]=4 34 B5R0.1 C[Se]CC(=O)[O-] DB03098 [2,0,0,0,0,0|1,0,1]=4 35 B5R0.1 C[Te]CC(=O)[O-] DB01918 [2,0,0,0,0,0|1,0,1]=4 36 B5R0.1 C\C=C\C(=O)O DB02074 [2,0,0,0,0,0|1,0,1]=4 37 B5R0.1 NCCC(=O)O DB03107 [2,0,0,0,0,0|1,0,1]=4 38 B5R0.1 O=C(O)CCO DB03688 [2,0,0,0,0,0|1,0,1]=4 39 B5R0.2 CCCCC=O DB01919 [2,0,0,0,0,0|0,0,1]=3 40 B5R0.5 CC(=O)C(N)=O DB03578 [2,0,0,0,0,0|1,0,0]=3 41 B5R0.5 CC(=O)[C@@H](C)O DB04364 [2,0,0,0,0,0|0,0,2]=4 42 B5R0.5 CC(=O)[C@H](C)O DB02788 [2,0,0,0,0,0|0,0,2]=4 43 B5R0.5 CC(=[NH2+])C(=O)[O-] DB04212 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.5 NC(=O)C(=O)O DB03940 [2,0,0,0,0,0|2,0,0]=4 45 B5R0.5 O=C(O)C(=O)O DB03902 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.3 [C@@H](N)(C=O)CCCC DB03241 [1,1,0,0,0,0|1,0,1]=4 47 B7R0.16 CC(C)C(=O)C(=O)O DB04074 [1,1,0,0,0,0|1,0,0]=3 48 B7R0.4 O=C(O)CCCCO DB04781 [1,1,0,0,0,0|1,0,1]=4 49 B7R0.4 [NH3+]CCCCC(=O)O DB02068 [1,1,0,0,0,0|1,0,1]=4 50 B7R0.6 CC(C)CCC(=O)O DB03993 [1,1,0,0,0,0|1,0,1]=4 51 B9R0.32 CC(C)(CO)C(=O)C(=O)O DB03795 [0,2,0,0,0,0|2,0,0]=4 52 B9R0.79 CC(C)N(O)C(=O)C(=O)O DB03387 [0,2,0,0,0,0|2,0,0]=4 53 B9R0.7 O=C(O)CCC(=O)C(=O)O DB08845 [0,2,0,0,0,0|1,0,1]=4 54 B7R1.3 O=C1CCCCC1 DB02060 [1,0,0,1,0,0|0,0,1]=3 55 B9R1.6 O=C(O)C1=CCCNC1 DB08848 [0,1,0,1,0,0|2,0,0]=4 56 B9R2.39 [C@H]12CC[C@H](C1)C(=O)C2 DB03540 [0,0,0,2,0,0|1,0,1]=4