0 B11R0.160 CC(=O)NC(CCSC)C(=O)[O-] CHEBI:132957 [0,0,0,0,0,0|0,0,1]=1 1 B11R0.160 CC(=O)N[C@@H](CCC=O)C(=O)O CHEBI:16319 [0,0,0,0,0,0|2,0,0]=2 2 B11R0.160 CC(=O)N[C@@H](CCC=O)C(=O)[O-] CHEBI:29123 [0,0,0,0,0,0|2,0,1]=3 3 B11R0.160 CC(=O)N[C@@H](CCCN)C(=O)O CHEBI:16543 [0,0,0,0,0,0|2,0,0]=2 4 B11R0.160 CC(=O)N[C@@H](CCC[NH3+])C(=O)[O-] CHEBI:57805 [0,0,0,0,0,0|2,0,1]=3 5 B11R0.160 CC(=O)N[C@@H](CCSC)C(=O)O CHEBI:21557 [0,0,0,0,0,0|0,0,0]=0 6 B11R0.160 CC(=O)N[C@@H](CCSC)C(=O)[O-] CHEBI:71670 [0,0,0,0,0,0|0,0,1]=1 7 B11R0.160 CC(=O)N[C@H](CCSC)C(=O)O CHEBI:85210 [0,0,0,0,0,0|0,0,0]=0 8 B11R0.160 CC(=O)N[C@H](CCSC)C(=O)[O-] CHEBI:85220 [0,0,0,0,0,0|0,0,1]=1 9 B11R0.160 CSCC[C@@H](C(=O)O)NC(=O)O CHEBI:41696 [0,0,0,0,0,0|1,0,0]=1 10 B11R0.160 CSCC[C@@H](C(=O)[O-])NC(=O)[O-] CHEBI:61923 [0,0,0,0,0,0|1,0,1]=2 11 B11R0.160 CSCC\C(=C\C(=O)O)\C(=O)O CHEBI:134534 [0,0,0,0,0,0|2,0,1]=3 12 B11R0.160 CSCC\C(=C\C(=O)O)\C(=O)O CHEBI:134535 [0,0,0,0,0,0|2,0,1]=3 13 B11R0.160 CSCC\C(=C\C(=O)[O-])\C(=O)[O-] CHEBI:133498 [0,0,0,0,0,0|2,0,2]=4 14 B11R0.160 CSCC\C(=C\C(=O)[O-])\C(=O)[O-] CHEBI:133499 [0,0,0,0,0,0|2,0,2]=4 15 B10R0.23 CC(=O)N[C@@H](CCN)C(=O)O CHEBI:77583 [1,0,0,0,0,0|1,0,0]=2 16 B10R0.23 CC(=O)N[C@@H](CC[NH3+])C(=O)[O-] CHEBI:77587 [1,0,0,0,0,0|1,0,1]=3 17 B10R0.23 CCNC(CC(=O)N)C(=O)O CHEBI:64308 [1,0,0,0,0,0|3,0,0]=4 18 B10R0.23 CCN[C@@H](CC(=O)N)C(=O)O CHEBI:64367 [1,0,0,0,0,0|3,0,0]=4 19 B10R0.23 [*]SC[C@@H](C(=O)O)NC(=O)C CHEBI:47911 [1,0,0,0,0,0|1,0,0]=2 20 B10R0.88 CSCC[C@@H](C(=O)O)NC=O CHEBI:16552 [1,0,0,0,0,0|0,0,0]=1 21 B10R0.88 CSCC[C@@H](C(=O)[O-])NC=O CHEBI:57809 [1,0,0,0,0,0|0,0,1]=2 22 B12R0.120 CC(=O)N[C@@H](CCCC=O)C(=O)O CHEBI:61515 [0,1,0,0,0,0|1,0,1]=3 23 B12R0.120 CC(=O)N[C@@H](CCCC=O)C(=O)[O-] CHEBI:61511 [0,1,0,0,0,0|1,0,2]=4 24 B12R0.120 CC(=O)N[C@@H](CCCCN)C(=O)O CHEBI:35704 [0,1,0,0,0,0|1,0,0]=2 25 B12R0.120 CC(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] CHEBI:61512 [0,1,0,0,0,0|1,0,1]=3 26 B12R0.120 CSCCC\C(=C\C(=O)O)\C(=O)O CHEBI:134536 [0,1,0,0,0,0|2,0,1]=4 27 B12R0.129 CSCC[C@@H](C(=O)O)NC(=O)CN CHEBI:74120 [0,1,0,0,0,0|0,0,0]=1 28 B12R0.129 CSCC[C@@H](C(=O)[O-])NC(=O)C[NH3+] CHEBI:74393 [0,1,0,0,0,0|0,0,1]=2 29 B12R0.138 C(CC(=O)O)C(C(=O)O)NC(=O)N CHEBI:86349 [0,1,0,0,0,0|3,0,0]=4 30 B12R0.138 C(CC(=O)O)[C@@H](C(=O)O)NC(=O)N CHEBI:71028 [0,1,0,0,0,0|3,0,0]=4 31 B12R0.138 CC(=O)NC(CCC(=O)N)C(=O)O CHEBI:73685 [0,1,0,0,0,0|2,0,0]=3 32 B12R0.138 CC(=O)N[C@@H](CCC(=O)N)C(=O)O CHEBI:21553 [0,1,0,0,0,0|2,0,0]=3 33 B12R0.138 CC(=O)N[C@@H](CCC(=O)O)C(=O)O CHEBI:17533 [0,1,0,0,0,0|2,0,0]=3 34 B12R0.138 CC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] CHEBI:44337 [0,1,0,0,0,0|2,0,1]=4 35 B12R0.138 [*]C(=O)N[C@H](CCC(=O)O)C(=O)O CHEBI:49085 [0,1,0,0,0,0|3,0,0]=4 36 B12R0.253 CSCCC(C(C(=O)O)O)C(=O)O CHEBI:134532 [0,1,0,0,0,0|2,0,0]=3 37 B12R0.253 CSCCC(C(C(=O)O)O)C(=O)O CHEBI:134533 [0,1,0,0,0,0|2,0,0]=3 38 B12R0.253 CSCCC(C(C(=O)[O-])O)C(=O)[O-] CHEBI:133496 [0,1,0,0,0,0|2,0,1]=4 39 B12R0.253 CSCCC(C(C(=O)[O-])O)C(=O)[O-] CHEBI:133497 [0,1,0,0,0,0|2,0,1]=4 40 B12R0.356 CSCCC(CC(=O)O)(C(=O)O)O CHEBI:134530 [0,1,0,0,0,0|2,0,0]=3 41 B12R0.356 CSCCC(CC(=O)O)(C(=O)O)O CHEBI:50261 [0,1,0,0,0,0|2,0,0]=3 42 B12R0.356 CSCCC(CC(=O)[O-])(C(=O)[O-])O CHEBI:133494 [0,1,0,0,0,0|2,0,1]=4 43 B12R0.356 CSCCC(CC(=O)[O-])(C(=O)[O-])O CHEBI:58816 [0,1,0,0,0,0|2,0,1]=4 44 B9R0.15 CCCC(CCC)C(=O)O CHEBI:39867 [2,0,0,0,0,0|1,0,1]=4 45 B9R0.15 CCCC(CCC)C(=O)O CHEBI:4667 [2,0,0,0,0,0|1,0,1]=4 46 B9R0.39 C([C@@H](C(=O)O)NC(=O)N)S CHEBI:64855 [2,0,0,0,0,0|1,0,0]=3 47 B9R0.39 C([C@@H](C(=O)[O-])NC(=O)N)S CHEBI:64772 [2,0,0,0,0,0|1,0,1]=4 48 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O CHEBI:45441 [2,0,0,0,0,0|0,1,0]=3 49 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O CHEBI:28939 [2,0,0,0,0,0|0,0,0]=2 50 B9R0.39 CC(=O)N[C@@H](CS)C(=O)[O-] CHEBI:78236 [2,0,0,0,0,0|0,0,1]=3 51 B9R0.13 CN[C@@H](CCSC)C(=O)O CHEBI:44003 [2,0,0,0,0,0|0,0,0]=2 52 B9R0.13 C[NH2+][C@@H](CCSC)C(=O)[O-] CHEBI:61885 [2,0,0,0,0,0|0,0,2]=4 53 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O CHEBI:21547 [1,1,0,0,0,0|0,1,1]=4 54 B11R0.32 CC(C)C[C@@H](C(=O)O)NC(=O)C CHEBI:17786 [1,1,0,0,0,0|0,0,0]=2 55 B11R0.32 CC(C)C[C@@H](C(=O)[O-])NC(=O)C CHEBI:58270 [1,1,0,0,0,0|0,0,1]=3 56 B11R0.44 CCCC(C(C(=O)O)O)C(=O)O CHEBI:30850 [1,1,0,0,0,0|2,0,0]=4 57 B11R0.115 CCC(C)C(C(=O)O)NC(=O)C CHEBI:84056 [1,1,0,0,0,0|0,0,0]=2 58 B11R0.115 CC[C@H](C)[C@@H](C(=O)O)NC(=O)C CHEBI:21555 [1,1,0,0,0,0|0,0,0]=2 59 B11R0.115 CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)C CHEBI:133735 [1,1,0,0,0,0|0,0,1]=3 60 B11R0.181 CCCC(CC(=O)O)(C(=O)O)O CHEBI:28652 [1,1,0,0,0,0|2,0,0]=4 61 B11R0.181 CCC[C@@](CC(=O)O)(C(=O)O)O CHEBI:27567 [1,1,0,0,0,0|2,0,0]=4 62 B11R0.146 C(CC(=O)O)[C@@H](C(=O)O)NC=O CHEBI:48309 [1,1,0,0,0,0|2,0,0]=4 63 B13R0.160 C[C@@H](C(=O)N[C@@H](CCSC)C(=O)O)N CHEBI:73806 [0,1,0,0,0,1|1,0,1]=4 64 B13R0.22 CC(=O)N[C@@H](C[S@@](=O)CC=C)C(=O)O CHEBI:133430 [0,2,0,0,0,0|1,0,1]=4 65 B13R0.146 CC(=O)N[C@@H](CCCCN)C(=O)OC CHEBI:64859 [0,2,0,0,0,0|1,0,0]=3 66 B13R0.146 CC(=O)N[C@@H](CCCC[NH3+])C(=O)OC CHEBI:64854 [0,2,0,0,0,0|1,0,0]=3 67 B13R0.152 CSCCCC(C(C(=O)O)O)C(=O)O CHEBI:134537 [0,2,0,0,0,0|2,0,0]=4 68 B13R0.211 C(CCN)C[C@@H](C(=O)O)NC(=O)CN CHEBI:73909 [0,2,0,0,0,0|1,0,0]=3 69 B13R0.443 CC(=O)N[C@@H](CCCC(=O)O)C(=O)O CHEBI:31885 [0,2,0,0,0,0|1,0,1]=4 70 B13R0.1288 CSCCCC(CC(=O)O)(C(=O)O)O CHEBI:50262 [0,2,0,0,0,0|2,0,0]=4 71 B13R0.630 CC(=O)NC(CCP(=O)(C)O)C(=O)O CHEBI:52057 [0,2,0,0,0,0|1,0,0]=3 72 B13R0.630 CC(=O)NC(CCP(=O)(C)[O-])C(=O)[O-] CHEBI:58879 [0,2,0,0,0,0|1,0,1]=4 73 B13R0.630 CC(=O)N[C@@H](CCP(=O)(C)O)C(=O)O CHEBI:131436 [0,2,0,0,0,0|1,0,0]=3 74 B13R0.630 CC(=O)N[C@@H](CCP(=O)(C)[O-])C(=O)[O-] CHEBI:90940 [0,2,0,0,0,0|1,0,1]=4 75 B13R0.630 CC(=O)N[C@@H](CCS(=N)(=O)C)C(=O)O CHEBI:88136 [0,2,0,0,0,0|0,0,1]=3 76 B13R0.630 CC(=O)N[C@@H](CCS(=N)(=O)C)C(=O)[O-] CHEBI:87827 [0,2,0,0,0,0|0,0,2]=4 77 B13R0.630 CC(=O)N[C@@H](CCS(=O)(=O)C)C(=O)O CHEBI:88135 [0,2,0,0,0,0|0,0,1]=3 78 B13R0.630 CC(=O)N[C@@H](CCS(=O)(=O)C)C(=O)[O-] CHEBI:87825 [0,2,0,0,0,0|0,0,2]=4 79 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O CHEBI:44272 [1,0,0,1,0,0|0,0,0]=2 80 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O CHEBI:21560 [1,0,0,1,0,0|0,0,0]=2