0 B11R0.160 CCCCC(NC(=O)C)C(=O)C 1458a_100000194794_200000210301 [0,0,0,0,0,0|2,0,0]=2 1 B11R0.160 CCCCC(NC(=O)C)C(=O)[13CH3] 1458a_100000194794_200025704644 [0,0,0,0,0,0|2,0,0]=2 2 B11R0.160 CCCCC(NC(C)C)C(=O)N 2230a_100138425928_100000748834 [0,0,0,0,0,0|3,0,1]=4 3 B11R0.160 CCCCC(NC(C)C)C(=O)N 34a_100138425928_100000748834 [0,0,0,0,0,0|3,0,1]=4 4 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)N 11a_100000124899_100015343762 [0,0,0,0,0,0|2,0,0]=2 5 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)N 1626a_100000124899_100015343762 [0,0,0,0,0,0|2,0,0]=2 6 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)N 240690a_100000124899_100015343762 [0,0,0,0,0,0|2,0,0]=2 7 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)N 527a_100000124899_100103153847 [0,0,0,0,0,0|2,0,0]=2 8 B11R0.160 CCCC[C@H](NC(C)C)C(=O)N 2230a_100000124899_100000210206 [0,0,0,0,0,0|3,0,1]=4 9 B11R0.160 CCCC[C@H](NC(C)C)C(=O)N 34a_100000124899_100000210206 [0,0,0,0,0,0|3,0,1]=4 10 B11R0.160 CCCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210207 [0,0,0,0,0,0|4,0,0]=4 11 B11R0.160 COCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000766300 [0,0,0,0,0,0|3,1,0]=4 12 B11R0.160 CSCCC(NC(=O)N)C(=O)C 1458a_100000182937_200000210301 [0,0,0,0,0,0|2,0,0]=2 13 B11R0.160 CSCCC(NC(=O)N)C(=O)[13CH3] 1458a_100000182937_200025704644 [0,0,0,0,0,0|2,0,0]=2 14 B11R0.160 CSCC[C@@H](NC(=O)C)C(=O)C 1458a_100011933958_200000210301 [0,0,0,0,0,0|1,0,0]=1 15 B11R0.160 CSCC[C@@H](NC(=O)C)C(=O)[13CH3] 1458a_100011933958_200025704644 [0,0,0,0,0,0|1,0,0]=1 16 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)N 11a_100000119342_100015343762 [0,0,0,0,0,0|1,0,0]=1 17 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)N 1626a_100000119342_100015343762 [0,0,0,0,0,0|1,0,0]=1 18 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)N 240690a_100000119342_100015343762 [0,0,0,0,0,0|1,0,0]=1 19 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)N 527a_100000119342_100103153847 [0,0,0,0,0,0|1,0,0]=1 20 B11R0.160 CSCC[C@H](NC(C)C)C(=O)N 2230a_100000119342_100000210206 [0,0,0,0,0,0|2,0,1]=3 21 B11R0.160 CSCC[C@H](NC(C)C)C(=O)N 34a_100000119342_100000210206 [0,0,0,0,0,0|2,0,1]=3 22 B11R0.160 CSCC[C@H](NC(C)C)C(=O)O 269956a_100000743919_100000210206 [0,0,0,0,0,0|1,0,1]=2 23 B11R0.160 CSCN[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_100011218213 [0,0,0,0,0,0|4,0,0]=4 24 B11R0.160 CSCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100011218213 [0,0,0,0,0,0|3,0,0]=3 25 B11R0.160 C[Se]CC[C@H](NC(C)C)C(=O)O 269956a_100020619752_100000210206 [0,0,0,0,0,0|1,1,1]=3 26 B10R0.23 C=CCC(NC(=O)C)C(=O)C 1458a_100000741017_200000210301 [1,0,0,0,0,0|1,0,2]=4 27 B10R0.23 C=CCC(NC(=O)C)C(=O)[13CH3] 1458a_100000741017_200025704644 [1,0,0,0,0,0|1,0,2]=4 28 B10R0.23 CCC[C@H](NC(=O)C)C(=O)C 1458a_100011995990_200000210301 [1,0,0,0,0,0|1,0,0]=2 29 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 11a_100000729256_100015343762 [1,0,0,0,0,0|1,0,0]=2 30 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 1626a_100000729256_100015343762 [1,0,0,0,0,0|1,0,0]=2 31 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 240690a_100000729256_100015343762 [1,0,0,0,0,0|1,0,0]=2 32 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 527a_100000729256_100103153847 [1,0,0,0,0,0|1,0,0]=2 33 B10R0.23 CCC[C@H](NC(=O)C)C(=O)[13CH3] 1458a_100011995990_200025704644 [1,0,0,0,0,0|1,0,0]=2 34 B10R0.23 CCC[C@H](NC(C)C)C(=O)N 2230a_100000729256_100000210206 [1,0,0,0,0,0|2,0,1]=4 35 B10R0.23 CCC[C@H](NC(C)C)C(=O)N 34a_100000729256_100000210206 [1,0,0,0,0,0|2,0,1]=4 36 B10R0.23 CCC[C@H](NC(C)C)C(=O)O 269956a_100000750406_100000210206 [1,0,0,0,0,0|1,0,1]=3 37 B10R0.23 CCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210202 [1,0,0,0,0,0|3,0,0]=4 38 B10R0.23 COCC(NC(=O)C)C(=O)C 1458a_200012277492_200000210301 [1,0,0,0,0,0|1,1,0]=3 39 B10R0.23 COCC(NC(=O)C)C(=O)[13CH3] 1458a_200012277492_200025704644 [1,0,0,0,0,0|1,1,0]=3 40 B10R0.23 COC[C@@H](NC(C)C)C(=O)O 269956a_100011998655_100000210206 [1,0,0,0,0,0|1,1,1]=4 41 B10R0.23 CSC[C@H](NC(C)C)C(=O)O 269956a_100011421858_100000210206 [1,0,0,0,0,0|1,0,1]=3 42 B10R0.23 C[Se]C[C@H](NC(C)C)C(=O)O 269956a_100015254316_100000210206 [1,0,0,0,0,0|1,1,1]=4 43 B10R0.87 CCCC[C@@H](CO)NC(=O)C 240690a_100011934283_100015343762 [1,0,0,0,0,0|1,0,1]=3 44 B10R0.87 CCCC[C@@H](CO)NC(=O)C 527a_100011934283_100103153847 [1,0,0,0,0,0|1,0,1]=3 45 B10R0.87 CSCC[C@@H](CO)NC(=O)C 240690a_100011827619_100015343762 [1,0,0,0,0,0|0,0,1]=2 46 B10R0.87 CSCC[C@@H](CO)NC(=O)C 527a_100011827619_100103153847 [1,0,0,0,0,0|0,0,1]=2 47 B10R0.87 CSCC[C@@H](CO)NC(C)C 2230a_100011827619_100000210206 [1,0,0,0,0,0|1,0,2]=4 48 B10R0.88 CCCCC(NCC)C(=O)N 2230a_100015525214_100000748834 [1,0,0,0,0,0|2,0,1]=4 49 B10R0.88 CCCC[C@H](NCC)C(=O)N 2230a_100000124899_100000210202 [1,0,0,0,0,0|2,0,1]=4 50 B10R0.88 CCCC[C@H](NCC)C(=O)N 34a_100000124899_100000210202 [1,0,0,0,0,0|2,0,1]=4 51 B10R0.88 CCC[C@H](NCSC)C(=O)O 269956a_100000750406_100011218213 [1,0,0,0,0,0|2,0,1]=4 52 B10R0.88 CCN[C@@H](CCSC)C(=O)N 2230a_100000119342_100000210202 [1,0,0,0,0,0|1,0,1]=3 53 B10R0.88 CCN[C@@H](CCSC)C(=O)N 34a_100000119342_100000210202 [1,0,0,0,0,0|1,0,1]=3 54 B10R0.88 CCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210202 [1,0,0,0,0,0|0,0,1]=2 55 B10R0.88 CCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000210202 [1,0,0,0,0,0|0,1,1]=3 56 B10R0.88 COC[C@@H](NCSC)C(=O)O 269956a_100011998655_100011218213 [1,0,0,0,0,0|3,0,0]=4 57 B10R0.88 CSCC[C@H](NCF)C(=O)N 34a_100000119342_100015361967 [1,0,0,0,0,0|2,0,1]=4 58 B10R0.88 CSCC[C@H](NCF)C(=O)O 269956a_100000743919_100015361967 [1,0,0,0,0,0|1,0,1]=3 59 B10R0.88 CSCN[C@@H](CSC)C(=O)O 269956a_100011421858_100011218213 [1,0,0,0,0,0|3,0,0]=4 60 B10R0.88 CSCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100011218213 [1,0,0,0,0,0|3,0,0]=4 61 B10R0.88 C[Se]CC[C@H](NCF)C(=O)O 269956a_100020619752_100015361967 [1,0,0,0,0,0|1,1,1]=4 62 B12R0.120 CCCCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210211 [0,1,0,0,0,0|3,0,0]=4 63 B12R0.120 COCCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000233755 [0,1,0,0,0,0|2,1,0]=4 64 B12R0.120 CSCCN[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_100000751147 [0,1,0,0,0,0|3,0,0]=4 65 B12R0.120 CSCCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000212216 [0,1,0,0,0,0|2,0,0]=3 66 B12R0.129 C#CC(C)N[C@@H](CCSC)C(=O)N 34a_100000119342_200000035995 [0,1,0,0,0,0|2,0,1]=4 67 B12R0.129 C#CC(C)N[C@@H](CCSC)C(=O)O 269956a_100000743919_200000035995 [0,1,0,0,0,0|1,0,1]=3 68 B12R0.129 C#CC(C)N[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000035995 [0,1,0,0,0,0|1,1,1]=4 69 B12R0.129 C=CC(=O)N[C@@H](CCCC)C(=O)N 1626a_100000124899_100000185746 [0,1,0,0,0,0|2,0,1]=4 70 B12R0.129 C=CC(=O)N[C@@H](CCCC)C(=O)N 240690a_100000124899_200121576911 [0,1,0,0,0,0|2,0,1]=4 71 B12R0.129 C=CC(=O)N[C@@H](CCSC)C(=O)N 1626a_100000119342_100000185746 [0,1,0,0,0,0|1,0,1]=3 72 B12R0.129 C=CC(=O)N[C@@H](CCSC)C(=O)N 240690a_100000119342_200121576911 [0,1,0,0,0,0|1,0,1]=3 73 B12R0.129 C=CC(C)N[C@@H](CCSC)C(=O)O 269956a_100000743919_100011215867 [0,1,0,0,0,0|1,0,1]=3 74 B12R0.129 C=CC(C)N[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100011215867 [0,1,0,0,0,0|1,1,1]=4 75 B12R0.129 CCC(=O)NC(CCSC)C(=O)C 1458a_100000194488_200000210301 [0,1,0,0,0,0|1,0,0]=2 76 B12R0.129 CCC(=O)NC(CCSC)C(=O)[13CH3] 1458a_100000194488_200025704644 [0,1,0,0,0,0|1,0,0]=2 77 B12R0.129 CCC(=O)N[C@@H](CCSC)C(=O)N 11a_100000119342_100000210414 [0,1,0,0,0,0|1,0,0]=2 78 B12R0.129 CCC(=O)N[C@@H](CCSC)C(=O)N 1626a_100000119342_100000210414 [0,1,0,0,0,0|1,0,0]=2 79 B12R0.129 CCC(=O)N[C@@H](CCSC)C(=O)N 240690a_100000119342_100000210414 [0,1,0,0,0,0|1,0,0]=2 80 B12R0.129 CCC(=O)N[C@@H](CCSC)C(=O)N 527a_100000119342_100000210414 [0,1,0,0,0,0|1,0,0]=2 81 B12R0.129 CCC(C)N[C@@H](CCSC)C(=O)N 2230a_100000119342_100000758301 [0,1,0,0,0,0|2,0,1]=4 82 B12R0.129 CCC(C)N[C@@H](CCSC)C(=O)N 34a_100000119342_100011215416 [0,1,0,0,0,0|2,0,1]=4 83 B12R0.129 CCC(C)N[C@@H](CCSC)C(=O)O 269956a_100000743919_100000758301 [0,1,0,0,0,0|1,0,1]=3 84 B12R0.129 CCC(C)N[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000758301 [0,1,0,0,0,0|1,1,1]=4 85 B12R0.129 CCCC[C@H](NC(=O)CC)C(=O)N 11a_100000124899_100000210414 [0,1,0,0,0,0|2,0,0]=3 86 B12R0.129 CCCC[C@H](NC(=O)CC)C(=O)N 1626a_100000124899_100000210414 [0,1,0,0,0,0|2,0,0]=3 87 B12R0.129 CCCC[C@H](NC(=O)CC)C(=O)N 240690a_100000124899_100000210414 [0,1,0,0,0,0|2,0,0]=3 88 B12R0.129 CCCC[C@H](NC(=O)CC)C(=O)N 527a_100000124899_100000210414 [0,1,0,0,0,0|2,0,0]=3 89 B12R0.129 CCCC[C@H](NC(=O)CO)C(=O)N 240690a_100000124899_100000210174 [0,1,0,0,0,0|2,0,0]=3 90 B12R0.129 CCCC[C@H](NC(=O)CO)C(=O)N 527a_100000124899_100000210174 [0,1,0,0,0,0|2,0,0]=3 91 B12R0.129 CCCC[C@H](NC(=O)NC)C(=O)N 2708a_100102657272_100000124899 [0,1,0,0,0,0|2,0,0]=3 92 B12R0.129 CCCC[C@H](NC(=O)NC)C(=O)N 273464a_100000124899_100102657272 [0,1,0,0,0,0|2,0,0]=3 93 B12R0.129 CCCC[C@H](NC(=O)NC)C(=O)N 273464a_100102657272_100000124899 [0,1,0,0,0,0|2,0,0]=3 94 B12R0.129 CCCC[C@H](NC(=O)NC)C(=O)N 512a_100000124899_100102657272 [0,1,0,0,0,0|2,0,0]=3 95 B12R0.129 CCCC[C@H](NC(=O)NC)C(=O)N 512a_106832991638_100000124899 [0,1,0,0,0,0|2,0,0]=3 96 B12R0.129 CNC(=O)N[C@@H](CCSC)C(=O)N 2708a_100102657272_100000119342 [0,1,0,0,0,0|1,0,0]=2 97 B12R0.129 CNC(=O)N[C@@H](CCSC)C(=O)N 273464a_100000119342_100102657272 [0,1,0,0,0,0|1,0,0]=2 98 B12R0.129 CNC(=O)N[C@@H](CCSC)C(=O)N 273464a_100102657272_100000119342 [0,1,0,0,0,0|1,0,0]=2 99 B12R0.129 CNC(=O)N[C@@H](CCSC)C(=O)N 512a_100000119342_100102657272 [0,1,0,0,0,0|1,0,0]=2 100 B12R0.129 CNC(=O)N[C@@H](CCSC)C(=O)N 512a_106832991638_100000119342 [0,1,0,0,0,0|1,0,0]=2 101 B12R0.129 COC(C)N[C@@H](CCSC)C(=O)O 269956a_100000743919_100009879195 [0,1,0,0,0,0|0,0,2]=3 102 B12R0.129 COC(C)N[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100009879195 [0,1,0,0,0,0|0,1,2]=4 103 B12R0.129 CSCC[C@H](NC(=O)CO)C(=O)N 240690a_100000119342_100000210174 [0,1,0,0,0,0|1,0,0]=2 104 B12R0.129 CSCC[C@H](NC(=O)CO)C(=O)N 527a_100000119342_100000210174 [0,1,0,0,0,0|1,0,0]=2 105 B12R0.129 CSCC[C@H](NC(C)C#N)C(=O)N 2230a_100000119342_100000184139 [0,1,0,0,0,0|2,0,1]=4 106 B12R0.129 CSCC[C@H](NC(C)C#N)C(=O)O 269956a_100000743919_100000184139 [0,1,0,0,0,0|1,0,1]=3 107 B12R0.129 CSCC[C@H](NC(C)CO)C(=O)N 2230a_100000119342_100012180447 [0,1,0,0,0,0|1,0,2]=4 108 B12R0.129 CSCC[C@H](NC(C)CO)C(=O)N 34a_100000119342_100012180447 [0,1,0,0,0,0|1,0,2]=4 109 B12R0.129 CSCC[C@H](N[C@H](C)CO)C(=O)O 269956a_100000743919_100016084084 [0,1,0,0,0,0|0,0,2]=3 110 B12R0.129 C[Se]CC[C@H](NC(C)C#N)C(=O)O 269956a_100020619752_100000184139 [0,1,0,0,0,0|1,1,1]=4 111 B12R0.129 C[Se]CC[C@H](N[C@H](C)CO)C(=O)O 269956a_100020619752_100016084084 [0,1,0,0,0,0|0,1,2]=4 112 B12R0.138 CC(=O)N[C@@H](CCC(=O)N)C(=O)N 11a_200000143477_100015343762 [0,1,0,0,0,0|3,0,0]=4 113 B12R0.138 CC(=O)N[C@@H](CCC(=O)N)C(=O)N 1626a_200000143477_100015343762 [0,1,0,0,0,0|3,0,0]=4 114 B12R0.138 CC(=O)N[C@@H](CCC(=O)N)C(=O)N 240690a_200000143477_100015343762 [0,1,0,0,0,0|3,0,0]=4 115 B12R0.138 CC(=O)N[C@@H](CCC(=O)N)C(=O)N 527a_200000143477_100103153847 [0,1,0,0,0,0|3,0,0]=4 116 B12R0.138 CC(=O)N[C@@H](CCS(=O)C)C(=O)C 1458a_200020641884_200000210301 [0,1,0,0,0,0|1,0,1]=3 117 B12R0.138 CC(=O)N[C@@H](CCS(=O)C)C(=O)[13CH3] 1458a_200020641884_200025704644 [0,1,0,0,0,0|1,0,1]=3 118 B12R0.138 CC(=O)N[C@@H](CSC(=O)C)C(=O)C 1458a_200015188492_200000210301 [0,1,0,0,0,0|3,0,0]=4 119 B12R0.138 CC(=O)N[C@@H](CSC(=O)C)C(=O)[13CH3] 1458a_200015188492_200025704644 [0,1,0,0,0,0|3,0,0]=4 120 B12R0.138 CC(C)NC(CC[S+](C)C)C(=O)O 269956a_100000210779_100000210206 [0,1,0,0,0,0|1,0,2]=4 121 B12R0.138 CC(C)N[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100000210206 [0,1,0,0,0,0|1,0,2]=4 122 B12R0.151 COC(=O)C[C@H](NC(=O)C)C(=O)C 1458a_100000766955_200000210301 [0,1,0,0,0,0|1,1,1]=4 123 B12R0.151 COC(=O)C[C@H](NC(=O)C)C(=O)[13CH3] 1458a_100000766955_200025704644 [0,1,0,0,0,0|1,1,1]=4 124 B12R0.247 CCC(=O)C(CCSC)NC(=O)N 1458a_100000182937_100000210202 [0,1,0,0,0,0|2,0,0]=3 125 B12R0.247 CCC(=O)[C@@H](CCSC)NC(=O)C 1458a_100011933958_100000210202 [0,1,0,0,0,0|1,0,0]=2 126 B12R0.247 CCCCC(NC(=O)C)C(=O)CC 1458a_100000194794_100000210202 [0,1,0,0,0,0|2,0,0]=3 127 B12R0.247 CCCCC(NC(=O)C)C(=O)CF 1458a_100000194794_100015361967 [0,1,0,0,0,0|2,0,0]=3 128 B12R0.247 CCCCC(NC(=O)C)C(=O)NC 11a_106832991635_100000194794 [0,1,0,0,0,0|2,0,0]=3 129 B12R0.247 CCCCC(NC(=O)C)C(=O)NC 1626a_100102657272_100000194794 [0,1,0,0,0,0|2,0,0]=3 130 B12R0.247 CCCCC(NC(=O)C)C(=O)NC 240690a_100102657272_100000194794 [0,1,0,0,0,0|2,0,0]=3 131 B12R0.247 CCCCC(NC(=O)C)C(=O)NC 527a_100102657272_100000194794 [0,1,0,0,0,0|2,0,0]=3 132 B12R0.247 CCCCC(NC(=O)C)C(=O)OC 188690a_100000701681_100015343762 [0,1,0,0,0,0|1,0,0]=2 133 B12R0.247 CCCCC(NC(C)C)C(=O)OC 2230a_100138425928_100000750740 [0,1,0,0,0,0|2,0,1]=4 134 B12R0.247 CCCCC(NC(C)C)C(=O)OC 34a_100138425928_100000750740 [0,1,0,0,0,0|2,0,1]=4 135 B12R0.247 CCSCC(NC(=O)C)C(=O)OC 62a_100000210202_100000763271 [0,1,0,0,0,0|2,0,0]=3 136 B12R0.247 CCSCC(NC(=O)C)C(=O)OC 62a_100000763271_100000210202 [0,1,0,0,0,0|2,0,0]=3 137 B12R0.247 CNC(=O)C(CCSC)NC(=O)N 1626a_100102657272_100000182937 [0,1,0,0,0,0|2,0,0]=3 138 B12R0.247 CNC(=O)C(CCSC)NC(=O)N 240690a_100102657272_100000182937 [0,1,0,0,0,0|2,0,0]=3 139 B12R0.247 CNC(=O)C(CCSC)NC(=O)N 527a_100102657272_100000182937 [0,1,0,0,0,0|2,0,0]=3 140 B12R0.247 CNC(=O)[C@@H](CCSC)NC(=O)C 11a_106832991635_100011933958 [0,1,0,0,0,0|1,0,0]=2 141 B12R0.247 CNC(=O)[C@@H](CCSC)NC(=O)C 1626a_100102657272_100011933958 [0,1,0,0,0,0|1,0,0]=2 142 B12R0.247 CNC(=O)[C@@H](CCSC)NC(=O)C 240690a_100102657272_100011933958 [0,1,0,0,0,0|1,0,0]=2 143 B12R0.247 CNC(=O)[C@@H](CCSC)NC(=O)C 527a_100102657272_100011933958 [0,1,0,0,0,0|1,0,0]=2 144 B12R0.247 COC(=O)C(CSCF)NC(=O)C 62a_100000763271_100015361967 [0,1,0,0,0,0|3,0,0]=4 145 B12R0.247 COC(=O)C(CSCF)NC(=O)C 62a_100015361967_100000763271 [0,1,0,0,0,0|3,0,0]=4 146 B12R0.247 COC(=O)[C@@H](CCSC)NC(=O)C 188690a_100020625969_100015343762 [0,1,0,0,0,0|0,0,0]=1 147 B12R0.247 CSCCC(NC(=O)N)C(=O)CF 1458a_100000182937_100015361967 [0,1,0,0,0,0|2,0,0]=3 148 B12R0.247 CSCC[C@@H](NC(=O)C)C(=O)CF 1458a_100011933958_100015361967 [0,1,0,0,0,0|1,0,0]=2 149 B12R0.288 CCCC[C@H](NS(=O)(=O)C)C(=O)N 40a_100000124899_100000738038 [0,1,0,0,0,0|3,0,0]=4 150 B12R0.288 CSCC[C@H](NC(C)(C)C)C(=O)N 34a_100000119342_100000210625 [0,1,0,0,0,0|2,0,1]=4 151 B12R0.288 CSCC[C@H](NC(C)(C)C)C(=O)O 269956a_100000743919_100000211941 [0,1,0,0,0,0|1,0,1]=3 152 B12R0.288 CSCC[C@H](NC(F)(F)F)C(=O)O 269956a_100000743919_200000243211 [0,1,0,0,0,0|2,0,1]=4 153 B12R0.288 CSCC[C@H](NS(=O)(=O)C)C(=O)N 40a_100000119342_100000738038 [0,1,0,0,0,0|2,0,0]=3 154 B12R0.288 C[Se]CC[C@H](NC(C)(C)C)C(=O)O 269956a_100020619752_100000211941 [0,1,0,0,0,0|1,1,1]=4 155 B12R1.210 CC(=O)NC1CCCCNC1=O 11a_100000698827_100015343762 [0,0,0,1,0,0|2,0,0]=3 156 B12R1.210 CC(=O)NC1CCCCNC1=O 1626a_100000698827_100015343762 [0,0,0,1,0,0|2,0,0]=3 157 B12R1.210 CC(=O)NC1CCCCNC1=O 240690a_100000698827_100015343762 [0,0,0,1,0,0|2,0,0]=3 158 B12R1.210 CC(=O)NC1CCCCNC1=O 527a_100000698827_100103153847 [0,0,0,1,0,0|2,0,0]=3 159 B12R1.233 CC(=O)NC1CCC(=O)NC1=O 11a_100000691121_100015343762 [0,0,0,1,0,0|3,0,0]=4 160 B12R1.233 CC(=O)NC1CCC(=O)NC1=O 1626a_100000691121_100015343762 [0,0,0,1,0,0|3,0,0]=4 161 B12R1.233 CC(=O)NC1CCC(=O)NC1=O 240690a_100000691121_100015343762 [0,0,0,1,0,0|3,0,0]=4 162 B12R1.233 CC(=O)NC1CCC(=O)NC1=O 527a_100000691121_100103153847 [0,0,0,1,0,0|3,0,0]=4 163 B12R1.261 CC(=O)C1CCCCN1C(=O)C 1458a_100000195068_200000210301 [0,0,0,1,0,0|2,0,0]=3 164 B12R1.261 CC(=O)N1CCCCC1C(=O)N 1626a_100000181395_100015343762 [0,0,0,1,0,0|2,0,0]=3 165 B12R1.261 CC(=O)N1CCCCC1C(=O)N 527a_100000181395_100103153847 [0,0,0,1,0,0|2,0,0]=3 166 B12R1.261 CC(=O)N1CCCCC1C(=O)[13CH3] 1458a_100000195068_200025704644 [0,0,0,1,0,0|2,0,0]=3 167 B12R1.261 CC(=O)[C@@H]1CCCC[C@H]1C(=O)N 1458a_200009911122_200000210301 [0,0,0,1,0,0|3,0,0]=4 168 B12R1.261 CC(C)N1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210206 [0,0,0,1,0,0|2,0,1]=4 169 B12R1.261 CC(C)N1CSCCC1C(=O)O 269956a_100015185162_100000210206 [0,0,0,1,0,0|1,0,1]=3 170 B12R1.261 [13CH3]C(=O)[C@@H]1CCCC[C@H]1C(=O)N 1458a_200009911122_200025704644 [0,0,0,1,0,0|3,0,0]=4 171 B12R1.935 CSCC[C@H](NC1CC1)C(=O)N 34a_100000119342_100000211595 [0,0,0,1,0,0|2,0,1]=4 172 B12R1.935 CSCC[C@H](NC1CC1)C(=O)O 269956a_100000743919_100000211595 [0,0,0,1,0,0|1,0,1]=3 173 B12R1.935 C[Se]CC[C@H](NC1CC1)C(=O)O 269956a_100020619752_100000211595 [0,0,0,1,0,0|1,1,1]=4 174 B12R1.1813 CC(=O)N[C@@H](C(=O)C)C1CCC1 1458a_100015353301_200000210301 [0,0,0,1,0,0|2,0,0]=3 175 B12R1.1813 CC(=O)N[C@@H](C(=O)[13CH3])C1CCC1 1458a_100015353301_200025704644 [0,0,0,1,0,0|2,0,0]=3 176 B12R1.1813 CC(C)NC(C(=O)O)C1CCC1 269956a_100000765838_100000210206 [0,0,0,1,0,0|2,0,1]=4 177 B12R1.3171 CC(=O)NC1(CCCC1)C(=O)N 11a_100000755618_100015343762 [0,0,0,1,0,0|2,0,0]=3 178 B12R1.3171 CC(=O)NC1(CCCC1)C(=O)N 1626a_100000755618_100015343762 [0,0,0,1,0,0|2,0,0]=3 179 B12R1.3171 CC(=O)NC1(CCCC1)C(=O)N 527a_100000755618_100103153847 [0,0,0,1,0,0|2,0,0]=3 180 B12R1.3171 CC(C)NC1(CCCC1)C(=O)O 269956a_100000739329_100000210206 [0,0,0,1,0,0|2,0,1]=4 181 B10R0.17 CCCCC(C(=O)C)C(=O)N 1458a_100000070787_100000748834 [0,0,0,0,1,0|2,0,0]=3 182 B10R0.17 CCCSC(C(=O)C)C(=O)C 62a_100000210303_100000210371 [0,0,0,0,1,0|3,0,0]=4 183 B10R0.17 CCCSC(C(=O)C)C(=O)C 62a_100000210371_100000210303 [0,0,0,0,1,0|3,0,0]=4 184 B10R0.17 COCSC(C(=O)C)C(=O)C 62a_100000210371_100000766300 [0,0,0,0,1,0|2,1,0]=4 185 B10R0.17 COCSC(C(=O)C)C(=O)C 62a_100000766300_100000210371 [0,0,0,0,1,0|2,1,0]=4 186 B10R0.17 CSCNC(C(=O)N)C(=O)N 2230a_100000025885_100011218213 [0,0,0,0,1,0|3,0,0]=4 187 B10R0.17 CSCNC(C(=O)O)C(C)O 269956a_100000185852_100011218213 [0,0,0,0,1,0|1,0,2]=4 188 B10R0.17 CSCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100011218213 [0,0,0,0,1,0|2,0,1]=4 189 B10R0.17 CSCSC(C(=O)C)C(=O)C 62a_100000210371_100011218213 [0,0,0,0,1,0|2,0,0]=3 190 B10R0.17 CSCSC(C(=O)C)C(=O)C 62a_100011218213_100000210371 [0,0,0,0,1,0|2,0,0]=3 191 B12R0.55 C=C(C)CN[C@@H](CCCC)C(=O)N 2230a_100000124899_100000748629 [0,0,0,0,0,1|3,0,0]=4 192 B12R0.55 C=C(C)CN[C@@H](CCCC)C(=O)N 34a_100000124899_100000748629 [0,0,0,0,0,1|3,0,0]=4 193 B12R0.55 C=C(C)CN[C@@H](CCSC)C(=O)N 2230a_100000119342_100000748629 [0,0,0,0,0,1|2,0,0]=3 194 B12R0.55 C=C(C)CN[C@@H](CCSC)C(=O)N 34a_100000119342_100000748629 [0,0,0,0,0,1|2,0,0]=3 195 B12R0.55 C=C(C)CN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000748629 [0,0,0,0,0,1|1,0,0]=2 196 B12R0.55 C=C(C)CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000748629 [0,0,0,0,0,1|1,1,0]=3 197 B12R0.55 C=C(F)CN[C@@H](CCSC)C(=O)N 2230a_100000119342_100009893438 [0,0,0,0,0,1|2,0,1]=4 198 B12R0.55 C=C(F)CN[C@@H](CCSC)C(=O)N 34a_100000119342_100009893438 [0,0,0,0,0,1|2,0,1]=4 199 B12R0.55 C=C(F)CN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000042424 [0,0,0,0,0,1|1,0,1]=3 200 B12R0.55 C=C(F)CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000042424 [0,0,0,0,0,1|1,1,1]=4 201 B12R0.55 CCCCC(NCC(=O)N)C(=O)N 2230a_100000711301_100000748834 [0,0,0,0,0,1|3,0,0]=4 202 B12R0.55 CCCCC(NCC(=O)O)C(=O)N 269956a_100016091260_100000748834 [0,0,0,0,0,1|3,0,0]=4 203 B12R0.55 CCCCC(OCC(=O)C)C(=O)N 34a_100000211253_100000748834 [0,0,0,0,0,1|3,0,0]=4 204 B12R0.55 CCCC[C@H](NCC(=O)N)C(=O)N 2230a_100000124899_100000747473 [0,0,0,0,0,1|3,0,0]=4 205 B12R0.55 CCCC[C@H](NCC(=O)N)C(=O)N 34a_100000124899_100000187820 [0,0,0,0,0,1|3,0,0]=4 206 B12R0.55 CCCC[C@H](NCC(=O)[O-])C(=O)N 34a_100000124899_100020667443 [0,0,0,0,0,1|3,0,0]=4 207 B12R0.55 CSCC[C@H](NCC(=O)N)C(=O)N 2230a_100000119342_100000747473 [0,0,0,0,0,1|2,0,0]=3 208 B12R0.55 CSCC[C@H](NCC(=O)N)C(=O)N 34a_100000119342_100000187820 [0,0,0,0,0,1|2,0,0]=3 209 B12R0.55 CSCC[C@H](NCC(=O)N)C(=O)O 269956a_100000743919_100000187820 [0,0,0,0,0,1|1,0,0]=2 210 B12R0.55 CSCC[C@H](NCC(=O)[O-])C(=O)N 34a_100000119342_100020667443 [0,0,0,0,0,1|2,0,0]=3 211 B12R0.55 CSCC[C@H](NCC(=O)[O-])C(=O)O 269956a_100000743919_100020667443 [0,0,0,0,0,1|1,0,0]=2 212 B12R0.55 CSCC[C@H](NCC(C)C)C(=O)N 2230a_100000119342_100000210760 [0,0,0,0,0,1|2,0,1]=4 213 B12R0.55 CSCC[C@H](NCC(C)C)C(=O)N 270004a_100000119342_100000210432 [0,0,0,0,0,1|2,0,1]=4 214 B12R0.55 CSCC[C@H](NCC(C)C)C(=O)N 34a_100000119342_100000210624 [0,0,0,0,0,1|2,0,1]=4 215 B12R0.55 CSCC[C@H](NCC(C)C)C(=O)O 269956a_100000743919_100000210760 [0,0,0,0,0,1|1,0,1]=3 216 B12R0.55 CSCC[C@H](NCC(C)O)C(=O)N 2230a_100000119342_100011218427 [0,0,0,0,0,1|1,0,2]=4 217 B12R0.55 CSCC[C@H](NCC(C)O)C(=O)N 34a_100000119342_100011218427 [0,0,0,0,0,1|1,0,2]=4 218 B12R0.55 CSCC[C@H](NCC(C)O)C(=O)O 269956a_100000743919_100011218427 [0,0,0,0,0,1|0,0,2]=3 219 B12R0.55 CSCC[C@H](NCC(F)F)C(=O)O 269956a_100000743919_100011934356 [0,0,0,0,0,1|2,0,1]=4 220 B12R0.55 CSCC[C@H](NC[C@@H](C)O)C(=O)N 2230a_100000119342_100009817552 [0,0,0,0,0,1|1,0,2]=4 221 B12R0.55 CSCC[C@H](NC[C@@H](C)O)C(=O)N 34a_100000119342_100009817552 [0,0,0,0,0,1|1,0,2]=4 222 B12R0.55 CSCC[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743919_100009817552 [0,0,0,0,0,1|0,0,2]=3 223 B12R0.55 CSCC[C@H](NC[N+](=O)[O-])C(=O)N 34a_100000119342_100000761209 [0,0,0,0,0,1|3,0,0]=4 224 B12R0.55 CSCC[C@H](NC[N+](=O)[O-])C(=O)O 269956a_100000743919_100000761209 [0,0,0,0,0,1|2,0,0]=3 225 B12R0.55 CSCNC(CC=C(C)C)C(=O)O 269956a_100102631519_100011218213 [0,0,0,0,0,1|3,0,0]=4 226 B12R0.55 CSCN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100011218213 [0,0,0,0,0,1|3,0,0]=4 227 B12R0.55 C[Se]CC[C@H](NCC(=O)N)C(=O)O 269956a_100020619752_100000187820 [0,0,0,0,0,1|1,1,0]=3 228 B12R0.55 C[Se]CC[C@H](NCC(=O)[O-])C(=O)O 269956a_100020619752_100020667443 [0,0,0,0,0,1|1,1,0]=3 229 B12R0.55 C[Se]CC[C@H](NCC(C)C)C(=O)O 269956a_100020619752_100000210760 [0,0,0,0,0,1|1,1,1]=4 230 B12R0.55 C[Se]CC[C@H](NCC(C)O)C(=O)O 269956a_100020619752_100011218427 [0,0,0,0,0,1|0,1,2]=4 231 B12R0.55 C[Se]CC[C@H](NC[C@@H](C)O)C(=O)O 269956a_100020619752_100009817552 [0,0,0,0,0,1|0,1,2]=4 232 B12R0.55 C[Se]CC[C@H](NC[N+](=O)[O-])C(=O)O 269956a_100020619752_100000761209 [0,0,0,0,0,1|2,1,0]=4 233 B9R0.14 CCCC(CC)NC(=O)C 11a_100000747048_100015343762 [2,0,0,0,0,0|1,0,1]=4 234 B9R0.14 CCCC(CC)NC(=O)C 1626a_100000747048_100015343762 [2,0,0,0,0,0|1,0,1]=4 235 B9R0.14 CCCC(CC)NC(=O)C 240690a_100000747048_100015343762 [2,0,0,0,0,0|1,0,1]=4 236 B9R0.14 CCCC(CC)NC(=O)C 527a_100000747048_100103153847 [2,0,0,0,0,0|1,0,1]=4 237 B9R0.14 CCC[C@@H](CO)NC(=O)C 240690a_100000732646_100015343762 [2,0,0,0,0,0|0,0,1]=3 238 B9R0.14 CCC[C@@H](CO)NC(=O)C 527a_100000732646_100103153847 [2,0,0,0,0,0|0,0,1]=3 239 B9R0.14 COCC(CO)NC(=O)C 240690a_100000724102_100015343762 [2,0,0,0,0,0|0,1,1]=4 240 B9R0.14 COCC(CO)NC(=O)C 527a_100000724102_100103153847 [2,0,0,0,0,0|0,1,1]=4 241 B9R0.15 CCC[C@H](NCC)C(=O)N 2230a_100000729256_100000210202 [2,0,0,0,0,0|1,0,1]=4 242 B9R0.15 CCC[C@H](NCC)C(=O)N 34a_100000729256_100000210202 [2,0,0,0,0,0|1,0,1]=4 243 B9R0.15 CCC[C@H](NCC)C(=O)O 269956a_100000750406_100000210202 [2,0,0,0,0,0|0,0,1]=3 244 B9R0.15 CCC[C@H](NCF)C(=O)O 269956a_100000750406_100015361967 [2,0,0,0,0,0|1,0,1]=4 245 B9R0.15 CCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210202 [2,0,0,0,0,0|0,0,1]=3 246 B9R0.15 CCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210202 [2,0,0,0,0,0|0,1,1]=4 247 B9R0.15 CCN[C@H](COC)C(=O)O 269956a_100011998655_100000210202 [2,0,0,0,0,0|0,1,1]=4 248 B9R0.15 CSC[C@H](NCF)C(=O)O 269956a_100011421858_100015361967 [2,0,0,0,0,0|1,0,1]=4 249 B9R0.39 CC(=O)NC(CO)C(=O)C 1458a_200011194110_200000210301 [2,0,0,0,0,0|1,1,0]=4 250 B9R0.39 CC(=O)NC(CO)C(=O)[13CH3] 1458a_200011194110_200025704644 [2,0,0,0,0,0|1,1,0]=4 251 B9R0.39 CC(=O)N[C@@H](CO)C(=O)N 240690a_100000729942_100015343762 [2,0,0,0,0,0|1,1,0]=4 252 B9R0.39 CCC(NC(=O)C)C(=O)C 1458a_100000195128_200000210301 [2,0,0,0,0,0|1,0,0]=3 253 B9R0.39 CCC(NC(=O)C)C(=O)N 11a_100000733705_100015343762 [2,0,0,0,0,0|1,0,0]=3 254 B9R0.39 CCC(NC(=O)C)C(=O)N 1626a_100000733705_100015343762 [2,0,0,0,0,0|1,0,0]=3 255 B9R0.39 CCC(NC(=O)C)C(=O)N 240690a_100000733705_100015343762 [2,0,0,0,0,0|1,0,0]=3 256 B9R0.39 CCC(NC(=O)C)C(=O)N 527a_100000733705_100103153847 [2,0,0,0,0,0|1,0,0]=3 257 B9R0.39 CCC(NC(=O)C)C(=O)[13CH3] 1458a_100000195128_200025704644 [2,0,0,0,0,0|1,0,0]=3 258 B9R0.39 CCC(NC(=O)N)C(=O)C 1458a_100000203762_200000210301 [2,0,0,0,0,0|2,0,0]=4 259 B9R0.39 CCC(NC(=O)N)C(=O)[13CH3] 1458a_100000203762_200025704644 [2,0,0,0,0,0|2,0,0]=4 260 B9R0.39 CC[C@@H](NC(C)C)C(=O)O 269956a_100000747097_100000210206 [2,0,0,0,0,0|1,0,1]=4 261 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 11a_100161114882_100015343762 [2,0,0,0,0,0|1,0,1]=4 262 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 1626a_100161114882_100015343762 [2,0,0,0,0,0|1,0,1]=4 263 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 240690a_100161114882_100015343762 [2,0,0,0,0,0|1,0,1]=4 264 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 527a_100161114882_100103153847 [2,0,0,0,0,0|1,0,1]=4 265 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [2,0,0,0,0,0|1,0,1]=4 266 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [2,0,0,0,0,0|1,0,1]=4 267 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [2,0,0,0,0,0|1,0,1]=4 268 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [2,0,0,0,0,0|1,0,1]=4 269 B9R0.4 CSCCC(=O)NC(=O)N 62a_200000210301_100000237605 [2,0,0,0,0,0|1,0,1]=4 270 B9R0.4 [13CH3]SCCC(=O)NC(=O)N 62a_200025704644_100000237605 [2,0,0,0,0,0|1,0,1]=4 271 B9R0.40 CCN[C@H](CO)CCSC 2230a_100011827619_100000210202 [2,0,0,0,0,0|0,0,2]=4 272 B9R0.13 C=C[C@H](NCSC)C(=O)O 269956a_100016992060_100011218213 [2,0,0,0,0,0|1,0,1]=4 273 B9R0.13 CCCCC(NC)C(=O)N 2230a_106832991635_100000748834 [2,0,0,0,0,0|2,0,0]=4 274 B9R0.13 CCCCC(NC)C(=O)N 34a_100102657272_100000748834 [2,0,0,0,0,0|2,0,0]=4 275 B9R0.13 CCCCC(NC)C(=O)N 7a_106832991635_100000748834 [2,0,0,0,0,0|2,0,0]=4 276 B9R0.13 CCCC[C@H](NC)C(=O)N 2230a_100000124899_200000210301 [2,0,0,0,0,0|2,0,0]=4 277 B9R0.13 CCCC[C@H](NC)C(=O)N 34a_100000124899_200000210301 [2,0,0,0,0,0|2,0,0]=4 278 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 2230a_100000124899_200025704644 [2,0,0,0,0,0|2,0,0]=4 279 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 34a_100000124899_200025704644 [2,0,0,0,0,0|2,0,0]=4 280 B9R0.13 CC[C@@H](NCSC)C(=O)O 269956a_100000747097_100011218213 [2,0,0,0,0,0|1,0,1]=4 281 B9R0.13 CN[C@@H](CCSC)C(=O)N 2230a_100000119342_200000210301 [2,0,0,0,0,0|1,0,0]=3 282 B9R0.13 CN[C@@H](CCSC)C(=O)N 34a_100000119342_200000210301 [2,0,0,0,0,0|1,0,0]=3 283 B9R0.13 CN[C@@H](CCSC)C(=O)O 269956a_100000743919_200000210301 [2,0,0,0,0,0|0,0,0]=2 284 B9R0.13 CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000210301 [2,0,0,0,0,0|0,1,0]=3 285 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 2230a_100000119342_200025704644 [2,0,0,0,0,0|1,0,0]=3 286 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 34a_100000119342_200025704644 [2,0,0,0,0,0|1,0,0]=3 287 B9R0.13 CSCC[C@H](N[13CH3])C(=O)O 269956a_100000743919_200025704644 [2,0,0,0,0,0|0,0,0]=2 288 B9R0.13 C[Se]CC[C@H](N[13CH3])C(=O)O 269956a_100020619752_200025704644 [2,0,0,0,0,0|0,1,0]=3 289 B11R0.16 CCC[C@H](NC(C)(C)C)C(=O)O 269956a_100000750406_100000211941 [1,1,0,0,0,0|1,0,1]=4 290 B11R0.16 CCC[C@H](NS(=O)(=O)C)C(=O)N 40a_100000729256_100000738038 [1,1,0,0,0,0|2,0,0]=4 291 B11R0.16 CSC[C@H](NC(C)(C)C)C(=O)O 269956a_100011421858_100000211941 [1,1,0,0,0,0|1,0,1]=4 292 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)C 1458a_100000699969_200000210301 [1,1,0,0,0,0|1,0,0]=3 293 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)N 11a_100016989234_100015343762 [1,1,0,0,0,0|1,0,0]=3 294 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)N 1626a_100016989234_100015343762 [1,1,0,0,0,0|1,0,0]=3 295 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)N 240690a_100016989234_100015343762 [1,1,0,0,0,0|1,0,0]=3 296 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)N 527a_100016989234_100103153847 [1,1,0,0,0,0|1,0,0]=3 297 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)[13CH3] 1458a_100000699969_200025704644 [1,1,0,0,0,0|1,0,0]=3 298 B11R0.39 C#CC[C@H](NC(=O)C)C(=O)OC 188690a_100020627700_100015343762 [1,1,0,0,0,0|0,0,2]=4 299 B11R0.39 C=CC[C@@H](NC(=O)C)C(=O)OC 188690a_100020629983_100015343762 [1,1,0,0,0,0|0,0,2]=4 300 B11R0.39 CCC(=O)C(COC)NC(=O)C 1458a_200012277492_100000210202 [1,1,0,0,0,0|1,1,0]=4 301 B11R0.39 CCCC(NC(=O)C)C(=O)NC 11a_106256046333_100015343762 [1,1,0,0,0,0|1,0,0]=3 302 B11R0.39 CCCC(NC(=O)C)C(=O)NC 1626a_106256046333_100015343762 [1,1,0,0,0,0|1,0,0]=3 303 B11R0.39 CCCC(NC(=O)C)C(=O)NC 240690a_106256046333_100015343762 [1,1,0,0,0,0|1,0,0]=3 304 B11R0.39 CCCC(NC(=O)C)C(=O)NC 527a_106256046333_100103153847 [1,1,0,0,0,0|1,0,0]=3 305 B11R0.39 CCCC(NC(=O)C)C(=O)OC 188690a_100000696665_100015343762 [1,1,0,0,0,0|0,0,0]=2 306 B11R0.39 CCCC(NC(C)C)C(=O)OC 2230a_100138425928_200009843822 [1,1,0,0,0,0|1,0,1]=4 307 B11R0.39 CCCC(NC(C)C)C(=O)OC 34a_100138425928_200009843822 [1,1,0,0,0,0|1,0,1]=4 308 B11R0.39 CCC[C@H](NC(=O)C)C(=O)CC 1458a_100011995990_100000210202 [1,1,0,0,0,0|1,0,0]=3 309 B11R0.39 CCC[C@H](NC(=O)C)C(=O)CF 1458a_100011995990_100015361967 [1,1,0,0,0,0|1,0,0]=3 310 B11R0.39 CCC[C@H](NC(=O)C)C(=O)NC 11a_106832991635_100011995990 [1,1,0,0,0,0|1,0,0]=3 311 B11R0.39 CCC[C@H](NC(=O)C)C(=O)NC 1626a_100102657272_100011995990 [1,1,0,0,0,0|1,0,0]=3 312 B11R0.39 CCC[C@H](NC(=O)C)C(=O)NC 240690a_100102657272_100011995990 [1,1,0,0,0,0|1,0,0]=3 313 B11R0.39 CCC[C@H](NC(=O)C)C(=O)NC 527a_100102657272_100011995990 [1,1,0,0,0,0|1,0,0]=3 314 B11R0.39 CNC(=O)C(COC)NC(=O)C 11a_106832991635_200012277492 [1,1,0,0,0,0|1,1,0]=4 315 B11R0.39 CNC(=O)C(COC)NC(=O)C 1626a_100102657272_200012277492 [1,1,0,0,0,0|1,1,0]=4 316 B11R0.39 CNC(=O)C(COC)NC(=O)C 240690a_100102657272_200012277492 [1,1,0,0,0,0|1,1,0]=4 317 B11R0.39 CNC(=O)C(COC)NC(=O)C 527a_100102657272_200012277492 [1,1,0,0,0,0|1,1,0]=4 318 B11R0.39 COC(=O)C(CSC)NC(=O)C 62a_100000763271_200000210301 [1,1,0,0,0,0|0,0,0]=2 319 B11R0.39 COC(=O)C(CSC)NC(=O)C 62a_200000210301_100000763271 [1,1,0,0,0,0|0,0,0]=2 320 B11R0.39 COC(=O)C(CS[13CH3])NC(=O)C 62a_100000763271_200025704644 [1,1,0,0,0,0|0,0,0]=2 321 B11R0.39 COC(=O)C(CS[13CH3])NC(=O)C 62a_200025704644_100000763271 [1,1,0,0,0,0|0,0,0]=2 322 B11R0.39 COC(=O)[C@H](CSC)NC(=O)C 188690a_100015184942_100015343762 [1,1,0,0,0,0|0,0,0]=2 323 B11R0.39 COCC(NC(=O)C)C(=O)CF 1458a_200012277492_100015361967 [1,1,0,0,0,0|1,1,0]=4 324 B11R0.39 COC[C@@H](NC(=O)C)C(=O)OC 188690a_100025726687_100015343762 [1,1,0,0,0,0|0,1,0]=3 325 B11R0.115 CC[C@H](C)[C@@H](NC(C)C)C(=O)O 269956a_100009815163_100000210206 [1,1,0,0,0,0|1,0,1]=4 326 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)C 1458a_100000729982_200000210301 [1,1,0,0,0,0|1,0,0]=3 327 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)N 11a_100000758034_100015343762 [1,1,0,0,0,0|1,0,0]=3 328 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)N 1626a_100000758034_100015343762 [1,1,0,0,0,0|1,0,0]=3 329 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)N 240690a_100000758034_100015343762 [1,1,0,0,0,0|1,0,0]=3 330 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)N 527a_100000758034_100103153847 [1,1,0,0,0,0|1,0,0]=3 331 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)[13CH3] 1458a_100000729982_200025704644 [1,1,0,0,0,0|1,0,0]=3 332 B11R0.236 C#CC(C)N[C@@H](CCC)C(=O)O 269956a_100000750406_200000035995 [1,1,0,0,0,0|1,0,1]=4 333 B11R0.236 C#CC(C)N[C@@H](CSC)C(=O)O 269956a_100011421858_200000035995 [1,1,0,0,0,0|1,0,1]=4 334 B11R0.236 C=CC(=O)N[C@@H](CCC)C(=O)N 1626a_100000729256_100000185746 [1,1,0,0,0,0|1,0,1]=4 335 B11R0.236 C=CC(=O)N[C@@H](CCC)C(=O)N 240690a_100000729256_200121576911 [1,1,0,0,0,0|1,0,1]=4 336 B11R0.236 C=CC(C)N[C@@H](CCC)C(=O)O 269956a_100000750406_100011215867 [1,1,0,0,0,0|1,0,1]=4 337 B11R0.236 C=CC(C)N[C@@H](CSC)C(=O)O 269956a_100011421858_100011215867 [1,1,0,0,0,0|1,0,1]=4 338 B11R0.236 CCC(C)N[C@@H](CSC)C(=O)O 269956a_100011421858_100000758301 [1,1,0,0,0,0|1,0,1]=4 339 B11R0.236 CCC[C@H](NC(=O)CC)C(=O)N 11a_100000729256_100000210414 [1,1,0,0,0,0|1,0,0]=3 340 B11R0.236 CCC[C@H](NC(=O)CC)C(=O)N 1626a_100000729256_100000210414 [1,1,0,0,0,0|1,0,0]=3 341 B11R0.236 CCC[C@H](NC(=O)CC)C(=O)N 240690a_100000729256_100000210414 [1,1,0,0,0,0|1,0,0]=3 342 B11R0.236 CCC[C@H](NC(=O)CC)C(=O)N 527a_100000729256_100000210414 [1,1,0,0,0,0|1,0,0]=3 343 B11R0.236 CCC[C@H](NC(=O)CO)C(=O)N 240690a_100000729256_100000210174 [1,1,0,0,0,0|1,0,0]=3 344 B11R0.236 CCC[C@H](NC(=O)CO)C(=O)N 527a_100000729256_100000210174 [1,1,0,0,0,0|1,0,0]=3 345 B11R0.236 CCC[C@H](NC(=O)NC)C(=O)N 2708a_100102657272_100000729256 [1,1,0,0,0,0|1,0,0]=3 346 B11R0.236 CCC[C@H](NC(=O)NC)C(=O)N 273464a_100000729256_100102657272 [1,1,0,0,0,0|1,0,0]=3 347 B11R0.236 CCC[C@H](NC(=O)NC)C(=O)N 273464a_100102657272_100000729256 [1,1,0,0,0,0|1,0,0]=3 348 B11R0.236 CCC[C@H](NC(=O)NC)C(=O)N 512a_100000729256_100102657272 [1,1,0,0,0,0|1,0,0]=3 349 B11R0.236 CCC[C@H](NC(=O)NC)C(=O)N 512a_106832991638_100000729256 [1,1,0,0,0,0|1,0,0]=3 350 B11R0.236 CCC[C@H](NC(C)C#N)C(=O)O 269956a_100000750406_100000184139 [1,1,0,0,0,0|1,0,1]=4 351 B11R0.236 CCC[C@H](NC(C)CC)C(=O)O 269956a_100000750406_100000758301 [1,1,0,0,0,0|1,0,1]=4 352 B11R0.236 CCC[C@H](NC(C)OC)C(=O)O 269956a_100000750406_100009879195 [1,1,0,0,0,0|0,0,2]=4 353 B11R0.236 CCC[C@H](N[C@H](C)CO)C(=O)O 269956a_100000750406_100016084084 [1,1,0,0,0,0|0,0,2]=4 354 B11R0.236 COC(C)N[C@@H](CSC)C(=O)O 269956a_100011421858_100009879195 [1,1,0,0,0,0|0,0,2]=4 355 B11R0.236 CSC[C@H](NC(C)C#N)C(=O)O 269956a_100011421858_100000184139 [1,1,0,0,0,0|1,0,1]=4 356 B11R0.236 CSC[C@H](N[C@H](C)CO)C(=O)O 269956a_100011421858_100016084084 [1,1,0,0,0,0|0,0,2]=4 357 B11R0.166 C=CC(=O)N[C@H](CO)CCSC 240690a_100011827619_200121576911 [1,1,0,0,0,0|0,0,2]=4 358 B11R0.166 CCC(=O)N[C@H](CO)CCSC 240690a_100011827619_100000210414 [1,1,0,0,0,0|0,0,1]=3 359 B11R0.166 CCC(=O)N[C@H](CO)CCSC 527a_100011827619_100000210414 [1,1,0,0,0,0|0,0,1]=3 360 B11R0.166 CCCC[C@@H](CO)NC(=O)CC 240690a_100011934283_100000210414 [1,1,0,0,0,0|1,0,1]=4 361 B11R0.166 CCCC[C@@H](CO)NC(=O)CC 527a_100011934283_100000210414 [1,1,0,0,0,0|1,0,1]=4 362 B11R0.166 CCCC[C@@H](CO)NC(=O)CO 240690a_100011934283_100000210174 [1,1,0,0,0,0|1,0,1]=4 363 B11R0.166 CCCC[C@@H](CO)NC(=O)CO 527a_100011934283_100000210174 [1,1,0,0,0,0|1,0,1]=4 364 B11R0.166 CCCC[C@@H](CO)NC(=O)NC 2708a_100102657272_100011934283 [1,1,0,0,0,0|1,0,1]=4 365 B11R0.166 CCCC[C@@H](CO)NC(=O)NC 273464a_100011934283_100102657272 [1,1,0,0,0,0|1,0,1]=4 366 B11R0.166 CCCC[C@@H](CO)NC(=O)NC 273464a_100102657272_100011934283 [1,1,0,0,0,0|1,0,1]=4 367 B11R0.166 CCCC[C@@H](CO)NC(=O)NC 512a_100011934283_100102657272 [1,1,0,0,0,0|1,0,1]=4 368 B11R0.166 CCCC[C@@H](CO)NC(=O)NC 512a_106832991638_100011934283 [1,1,0,0,0,0|1,0,1]=4 369 B11R0.166 CNC(=O)N[C@H](CO)CCSC 2708a_100102657272_100011827619 [1,1,0,0,0,0|0,0,1]=3 370 B11R0.166 CNC(=O)N[C@H](CO)CCSC 273464a_100011827619_100102657272 [1,1,0,0,0,0|0,0,1]=3 371 B11R0.166 CNC(=O)N[C@H](CO)CCSC 273464a_100102657272_100011827619 [1,1,0,0,0,0|0,0,1]=3 372 B11R0.166 CNC(=O)N[C@H](CO)CCSC 512a_100011827619_100102657272 [1,1,0,0,0,0|0,0,1]=3 373 B11R0.166 CNC(=O)N[C@H](CO)CCSC 512a_106832991638_100011827619 [1,1,0,0,0,0|0,0,1]=3 374 B11R0.166 CSCC[C@@H](CO)NC(=O)CO 240690a_100011827619_100000210174 [1,1,0,0,0,0|0,0,1]=3 375 B11R0.166 CSCC[C@@H](CO)NC(=O)CO 527a_100011827619_100000210174 [1,1,0,0,0,0|0,0,1]=3 376 B11R0.190 CSCC[C@@H](CO)NS(=O)(=O)C 40a_100011827619_100000738038 [1,1,0,0,0,0|1,0,1]=4 377 B11R0.36 C#CCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000184674 [1,1,0,0,0,0|0,0,2]=4 378 B11R0.36 C=CCN[C@@H](CCSC)C(=O)N 2230a_100000119342_100000210623 [1,1,0,0,0,0|1,0,1]=4 379 B11R0.36 C=CCN[C@@H](CCSC)C(=O)N 34a_100000119342_100015514636 [1,1,0,0,0,0|1,0,1]=4 380 B11R0.36 C=CCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210623 [1,1,0,0,0,0|0,0,1]=3 381 B11R0.36 C=CCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000210623 [1,1,0,0,0,0|0,1,1]=4 382 B11R0.36 CCCC[C@H](NCC=O)C(=O)N 2230a_100000124899_200015260668 [1,1,0,0,0,0|2,0,0]=4 383 B11R0.36 CCCC[C@H](NCC=O)C(=O)N 34a_100000124899_200009817547 [1,1,0,0,0,0|2,0,0]=4 384 B11R0.36 CCCN[C@@H](CCSC)C(=O)N 2230a_100000119342_100000210303 [1,1,0,0,0,0|1,0,1]=4 385 B11R0.36 CCCN[C@@H](CCSC)C(=O)N 34a_100000119342_100000210303 [1,1,0,0,0,0|1,0,1]=4 386 B11R0.36 CCCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210207 [1,1,0,0,0,0|0,0,1]=3 387 B11R0.36 CCCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000210207 [1,1,0,0,0,0|0,1,1]=4 388 B11R0.36 COCN[C@@H](CCSC)C(=O)N 2230a_100000119342_100000766300 [1,1,0,0,0,0|1,0,1]=4 389 B11R0.36 COCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000766300 [1,1,0,0,0,0|0,0,1]=3 390 B11R0.36 COCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000766300 [1,1,0,0,0,0|0,1,1]=4 391 B11R0.36 CSCC[C@H](NCC#N)C(=O)O 269956a_100000743919_100011215382 [1,1,0,0,0,0|0,0,2]=4 392 B11R0.36 CSCC[C@H](NCC=O)C(=O)N 2230a_100000119342_200015260668 [1,1,0,0,0,0|1,0,0]=3 393 B11R0.36 CSCC[C@H](NCC=O)C(=O)N 34a_100000119342_200009817547 [1,1,0,0,0,0|1,0,0]=3 394 B11R0.36 CSCC[C@H](NCC=O)C(=O)O 269956a_100000743919_200015260668 [1,1,0,0,0,0|0,0,0]=2 395 B11R0.36 CSCC[C@H](NCCF)C(=O)N 2230a_100000119342_100011217306 [1,1,0,0,0,0|1,0,1]=4 396 B11R0.36 CSCC[C@H](NCCF)C(=O)N 34a_100000119342_100011217306 [1,1,0,0,0,0|1,0,1]=4 397 B11R0.36 CSCC[C@H](NCCF)C(=O)O 269956a_100000743919_100011217306 [1,1,0,0,0,0|0,0,1]=3 398 B11R0.36 CSCC[C@H](NCCO)C(=O)N 2230a_100000119342_100000211926 [1,1,0,0,0,0|1,0,1]=4 399 B11R0.36 CSCC[C@H](NCCO)C(=O)N 34a_100000119342_100000211926 [1,1,0,0,0,0|1,0,1]=4 400 B11R0.36 CSCC[C@H](NCCO)C(=O)O 269956a_100000743919_100000211926 [1,1,0,0,0,0|0,0,1]=3 401 B11R0.36 CSCC[C@H](NCSC)C(=O)N 2230a_100000119342_100011218213 [1,1,0,0,0,0|1,0,1]=4 402 B11R0.36 CSCC[C@H](NCSC)C(=O)N 34a_100000119342_100011218213 [1,1,0,0,0,0|1,0,1]=4 403 B11R0.36 CSCC[C@H](NCSC)C(=O)O 269956a_100000743919_100011218213 [1,1,0,0,0,0|0,0,1]=3 404 B11R0.36 CSCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100011218213 [1,1,0,0,0,0|0,1,1]=4 405 B11R0.36 C[Se]CC[C@H](NCC=O)C(=O)O 269956a_100020619752_200015260668 [1,1,0,0,0,0|0,1,0]=3 406 B11R0.36 C[Se]CC[C@H](NCCF)C(=O)O 269956a_100020619752_100011217306 [1,1,0,0,0,0|0,1,1]=4 407 B11R0.36 C[Se]CC[C@H](NCCO)C(=O)O 269956a_100020619752_100000211926 [1,1,0,0,0,0|0,1,1]=4 408 B11R0.38 CCCCC(NCC)C(=O)OC 2230a_100015525214_100000750740 [1,1,0,0,0,0|1,0,1]=4 409 B11R0.78 CCC[C@H](NCCSC)C(=O)O 269956a_100000750406_100000212216 [1,1,0,0,0,0|1,0,1]=4 410 B11R0.78 COC[C@@H](NCCSC)C(=O)O 269956a_100011998655_100000212216 [1,1,0,0,0,0|2,0,0]=4 411 B11R0.78 CSCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000212216 [1,1,0,0,0,0|2,0,0]=4 412 B11R0.78 CSCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000212216 [1,1,0,0,0,0|2,0,0]=4 413 B11R0.146 CCNC(CC[S+](C)C)C(=O)O 269956a_100000210779_100000210202 [1,1,0,0,0,0|0,0,2]=4 414 B11R0.146 CCN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100000210202 [1,1,0,0,0,0|0,0,2]=4 415 B11R0.153 CCCCSC(C(=O)C)C(=O)C 62a_100000210211_100000210371 [0,1,0,0,1,0|2,0,0]=4 416 B11R0.153 CCCCSC(C(=O)C)C(=O)C 62a_100000210371_100000210210 [0,1,0,0,1,0|2,0,0]=4 417 B11R0.153 COCCSC(C(=O)C)C(=O)C 62a_100000210371_100000233755 [0,1,0,0,1,0|1,1,0]=4 418 B11R0.153 COCCSC(C(=O)C)C(=O)C 62a_100000233755_100000210371 [0,1,0,0,1,0|1,1,0]=4 419 B11R0.153 CSCCNC(C(=O)N)C(=O)N 2230a_100000025885_100000751147 [0,1,0,0,1,0|2,0,0]=4 420 B11R0.153 CSCCNC(C(=O)O)C(C)O 269956a_100000185852_100000212216 [0,1,0,0,1,0|0,0,2]=4 421 B11R0.153 CSCCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000212216 [0,1,0,0,1,0|1,0,1]=4 422 B11R0.153 CSCCSC(C(=O)C)C(=O)C 62a_100000210371_100000751147 [0,1,0,0,1,0|1,0,0]=3 423 B11R0.153 CSCCSC(C(=O)C)C(=O)C 62a_100000212216_100000210371 [0,1,0,0,1,0|1,0,0]=3 424 B13R0.13 CSCC[C@H](NCC(C)(C)C)C(=O)O 269956a_100000743919_100011219605 [0,1,0,0,0,1|1,0,1]=4 425 B13R0.13 CSCC[C@H](NCC(C)(C)F)C(=O)O 269956a_100000743919_100011997219 [0,1,0,0,0,1|1,0,1]=4 426 B13R0.13 CSCC[C@H](NCC(C)(C)O)C(=O)O 269956a_100000743919_100000764493 [0,1,0,0,0,1|0,0,2]=4 427 B13R0.13 CSCC[C@H](NCS(=O)(=O)N)C(=O)O 269956a_100000743919_100000741382 [0,1,0,0,0,1|2,0,0]=4 428 B13R0.13 CSCC[C@H](NCS(=O)(=O)[O-])C(=O)O 269956a_100000743919_100009817235 [0,1,0,0,0,1|2,0,0]=4 429 B13R0.13 CSCC[C@H](NC[N+](C)(C)C)C(=O)O 269956a_100000743919_200000036245 [0,1,0,0,0,1|2,0,0]=4 430 B13R0.13 CSCC[C@H](NC[Si](C)(C)C)C(=O)O 269956a_100000743919_100000037933 [0,1,0,0,0,1|1,1,0]=4 431 B13R0.53 C=C(C)CNC(CC[S+](C)C)C(=O)O 269956a_100000210779_100000748629 [0,1,0,0,0,1|1,0,1]=4 432 B13R0.53 C=C(C)CN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100000748629 [0,1,0,0,0,1|1,0,1]=4 433 B13R0.53 CS(=O)CC[C@H](NCC(=O)N)C(=O)O 269956a_100015235763_100000187820 [0,1,0,0,0,1|1,0,1]=4 434 B13R0.53 CS(=O)CC[C@H](NCC(=O)[O-])C(=O)O 269956a_100015235763_100020667443 [0,1,0,0,0,1|1,0,1]=4 435 B13R0.53 C[S+](C)CCC(NCC(=O)N)C(=O)O 269956a_100000210779_100000187820 [0,1,0,0,0,1|1,0,1]=4 436 B13R0.53 C[S+](C)CCC(NCC(=O)[O-])C(=O)O 269956a_100000210779_100020667443 [0,1,0,0,0,1|1,0,1]=4 437 B13R0.160 C=C(C)C(=O)N[C@@H](CCSC)C(=O)N 11a_100000119342_100000185857 [0,1,0,0,0,1|2,0,0]=4 438 B13R0.160 C=C(C)C(=O)N[C@@H](CCSC)C(=O)N 1626a_100000119342_100000185857 [0,1,0,0,0,1|2,0,0]=4 439 B13R0.160 CCCC[C@H](NC(C)C(=O)C)C(=O)N 2230a_100000124899_100009814033 [0,1,0,0,0,1|2,0,0]=4 440 B13R0.160 CSCC[C@H](NC(=O)C(=O)N)C(=O)N 240690a_100000119342_100011215815 [0,1,0,0,0,1|2,0,0]=4 441 B13R0.160 CSCC[C@H](NC(C)C(=O)C)C(=O)N 2230a_100000119342_100009814033 [0,1,0,0,0,1|1,0,0]=3 442 B13R0.160 CSCC[C@H](NC(C)C(=O)C)C(=O)O 269956a_100000743919_100009814033 [0,1,0,0,0,1|0,0,0]=2 443 B13R0.160 CSCC[C@H](NC(C)C(=O)N)C(=O)N 2230a_100000119342_100000702099 [0,1,0,0,0,1|2,0,0]=4 444 B13R0.160 CSCC[C@H](NC(C)C(=O)N)C(=O)N 34a_100000119342_100000702099 [0,1,0,0,0,1|2,0,0]=4 445 B13R0.160 CSCC[C@H](NC(F)C(=O)N)C(=O)N 2230a_100000119342_100009813875 [0,1,0,0,0,1|2,0,0]=4 446 B13R0.160 CSCC[C@H](NC(F)C(=O)N)C(=O)N 34a_100000119342_100009813875 [0,1,0,0,0,1|2,0,0]=4 447 B13R0.160 CSCC[C@H](NC(F)C(=O)[O-])C(=O)N 34a_100000119342_100020610796 [0,1,0,0,0,1|2,0,0]=4 448 B13R0.160 C[Se]CC[C@H](NC(C)C(=O)C)C(=O)O 269956a_100020619752_100009814033 [0,1,0,0,0,1|0,1,0]=3 449 B13R0.342 CCCCC(NCC(=O)N)C(=O)OC 2230a_100000711301_100000750740 [0,1,0,0,0,1|2,0,0]=4 450 B13R0.342 CCCCC(NCC(=O)O)C(=O)OC 269956a_100016091260_100000750740 [0,1,0,0,0,1|2,0,0]=4 451 B13R0.342 CCCCC(OCC(=O)C)C(=O)OC 34a_100000211253_100000750740 [0,1,0,0,0,1|2,0,0]=4 452 B13R0.346 CSCCNC(CC=C(C)C)C(=O)O 269956a_100102631519_100000212216 [0,1,0,0,0,1|2,0,0]=4 453 B13R0.346 CSCCN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100000212216 [0,1,0,0,0,1|2,0,0]=4 454 B13R0.1300 C=C(C#N)CN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000694840 [0,1,0,0,0,1|1,0,1]=4 455 B13R0.1300 CCC(=O)CN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000747405 [0,1,0,0,0,1|0,0,0]=2 456 B13R0.1300 CCC(=O)CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000747405 [0,1,0,0,0,1|0,1,0]=3 457 B13R0.1300 CCC(C)CN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000748023 [0,1,0,0,0,1|1,0,1]=4 458 B13R0.1300 CCC(O)CN[C@@H](CCSC)C(=O)O 269956a_100000743919_100011218378 [0,1,0,0,0,1|0,0,2]=4 459 B13R0.1300 CCCCC(NCC(=O)NC)C(=O)N 2230a_100000693194_100000748834 [0,1,0,0,0,1|2,0,0]=4 460 B13R0.1300 CCCC[C@H](NCC(=O)NC)C(=O)N 2230a_100000124899_100000183359 [0,1,0,0,0,1|2,0,0]=4 461 B13R0.1300 CCCC[C@H](NCC(=O)NC)C(=O)N 34a_100000124899_100000183359 [0,1,0,0,0,1|2,0,0]=4 462 B13R0.1300 CCCC[C@H](NCC(=O)OC)C(=O)N 2230a_100000124899_100000747449 [0,1,0,0,0,1|2,0,0]=4 463 B13R0.1300 CCCC[C@H](NCC(=O)OC)C(=O)N 34a_100000124899_100000747449 [0,1,0,0,0,1|2,0,0]=4 464 B13R0.1300 CC[C@H](C)CN[C@@H](CCSC)C(=O)O 269956a_100000743919_100009816398 [0,1,0,0,0,1|1,0,1]=4 465 B13R0.1300 CNC(=O)CN[C@@H](CCSC)C(=O)N 2230a_100000119342_100000183359 [0,1,0,0,0,1|1,0,0]=3 466 B13R0.1300 CNC(=O)CN[C@@H](CCSC)C(=O)N 34a_100000119342_100000183359 [0,1,0,0,0,1|1,0,0]=3 467 B13R0.1300 CNC(=O)CN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000183359 [0,1,0,0,0,1|0,0,0]=2 468 B13R0.1300 CNC(=O)CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000183359 [0,1,0,0,0,1|0,1,0]=3 469 B13R0.1300 COC(=O)CN[C@@H](CCSC)C(=O)N 2230a_100000119342_100000747449 [0,1,0,0,0,1|1,0,0]=3 470 B13R0.1300 COC(=O)CN[C@@H](CCSC)C(=O)N 34a_100000119342_100000747449 [0,1,0,0,0,1|1,0,0]=3 471 B13R0.1300 COC(=O)CN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000747449 [0,1,0,0,0,1|0,0,0]=2 472 B13R0.1300 COC(=O)CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000747449 [0,1,0,0,0,1|0,1,0]=3 473 B13R0.1300 CSCC[C@H](NCC(O)CO)C(=O)O 269956a_100000743919_100011219619 [0,1,0,0,0,1|0,0,2]=4 474 B13R0.1300 CSCC[C@H](NC[C@@H](C)CO)C(=O)O 269956a_100000743919_100000059175 [0,1,0,0,0,1|0,0,2]=4 475 B13R0.1300 CSCC[C@H](NC[C@@H](O)CF)C(=O)O 269956a_100000743919_100015614560 [0,1,0,0,0,1|0,0,2]=4 476 B13R0.1300 CSCC[C@H](NC[C@@H](O)CO)C(=O)O 269956a_100000743919_100009815848 [0,1,0,0,0,1|0,0,2]=4 477 B13R0.125 CSCCC(=O)[C@@H](NC(=O)C)[C@@H](C)O 1458a_100012017110_100000751147 [0,2,0,0,0,0|1,0,1]=4 478 B13R0.146 C#CCSCC(NC(=O)C)C(=O)OC 62a_100000038162_100000763271 [0,2,0,0,0,0|1,0,1]=4 479 B13R0.146 C=CCSCC(NC(=O)C)C(=O)OC 62a_100000210623_100000763271 [0,2,0,0,0,0|1,0,1]=4 480 B13R0.146 C=CCSCC(NC(=O)C)C(=O)OC 62a_100000763271_100000210623 [0,2,0,0,0,0|1,0,1]=4 481 B13R0.146 CCCCCC(NC(=O)C)C(=O)NC 11a_200121577139_100015343762 [0,2,0,0,0,0|2,0,0]=4 482 B13R0.146 CCCCCC(NC(=O)C)C(=O)NC 1626a_200121577139_100015343762 [0,2,0,0,0,0|2,0,0]=4 483 B13R0.146 CCCCCC(NC(=O)C)C(=O)NC 240690a_200121577139_100015343762 [0,2,0,0,0,0|2,0,0]=4 484 B13R0.146 CCCCCC(NC(=O)C)C(=O)NC 527a_200121577139_100103153847 [0,2,0,0,0,0|2,0,0]=4 485 B13R0.146 CCCSCC(NC(=O)C)C(=O)OC 62a_100000210303_100000763271 [0,2,0,0,0,0|1,0,0]=3 486 B13R0.146 CCCSCC(NC(=O)C)C(=O)OC 62a_100000763271_100000210303 [0,2,0,0,0,0|1,0,0]=3 487 B13R0.146 COC(=O)C(CSCC#N)NC(=O)C 62a_100000763271_100011215382 [0,2,0,0,0,0|2,0,0]=4 488 B13R0.146 COC(=O)C(CSCC#N)NC(=O)C 62a_100011215382_100000763271 [0,2,0,0,0,0|2,0,0]=4 489 B13R0.146 COC(=O)C(CSCC=O)NC(=O)C 62a_100000763271_200015260668 [0,2,0,0,0,0|2,0,0]=4 490 B13R0.146 COC(=O)C(CSCC=O)NC(=O)C 62a_200015260668_100000763271 [0,2,0,0,0,0|2,0,0]=4 491 B13R0.146 COC(=O)C(CSCCF)NC(=O)C 62a_100000763271_100011217306 [0,2,0,0,0,0|2,0,0]=4 492 B13R0.146 COC(=O)C(CSCCF)NC(=O)C 62a_100011217306_100000763271 [0,2,0,0,0,0|2,0,0]=4 493 B13R0.146 COC(=O)C(CSCCO)NC(=O)C 62a_100000211926_100000763271 [0,2,0,0,0,0|2,0,0]=4 494 B13R0.146 COC(=O)C(CSCCO)NC(=O)C 62a_100000763271_100000211926 [0,2,0,0,0,0|2,0,0]=4 495 B13R0.146 COC(=O)C(CSCSC)NC(=O)C 62a_100000763271_100011218213 [0,2,0,0,0,0|0,0,0]=2 496 B13R0.146 COC(=O)C(CSCSC)NC(=O)C 62a_100011218213_100000763271 [0,2,0,0,0,0|0,0,0]=2 497 B13R0.146 COCSCC(NC(=O)C)C(=O)OC 62a_100000763271_100000766300 [0,2,0,0,0,0|0,1,0]=3 498 B13R0.146 COCSCC(NC(=O)C)C(=O)OC 62a_100000766300_100000763271 [0,2,0,0,0,0|0,1,0]=3 499 B13R0.281 CCSCCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000757381 [0,2,0,0,0,0|2,0,0]=4 500 B13R0.377 CCC(CC)N[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210505 [0,2,0,0,0,0|1,0,1]=4 501 B13R0.377 CSCC[C@H](NC(C=O)C=O)C(=O)O 269956a_100000743919_100011218033 [0,2,0,0,0,0|0,0,2]=4 502 B13R0.1305 CCC(=O)NC(CCSC)C(=O)CC 1458a_100000194488_100000210202 [0,2,0,0,0,0|1,0,0]=3 503 B13R0.1305 CCC(=O)NC(CCSC)C(=O)CF 1458a_100000194488_100015361967 [0,2,0,0,0,0|1,0,0]=3 504 B13R0.1305 CCC(=O)NC(CCSC)C(=O)NC 11a_106832991635_100000194488 [0,2,0,0,0,0|1,0,0]=3 505 B13R0.1305 CCC(=O)NC(CCSC)C(=O)NC 1626a_100102657272_100000194488 [0,2,0,0,0,0|1,0,0]=3 506 B13R0.1305 CCC(=O)NC(CCSC)C(=O)NC 240690a_100102657272_100000194488 [0,2,0,0,0,0|1,0,0]=3 507 B13R0.1305 CCC(=O)NC(CCSC)C(=O)NC 527a_100102657272_100000194488 [0,2,0,0,0,0|1,0,0]=3 508 B13R0.1305 CCC(=O)N[C@H](CCSC)C(=O)OC 188690a_100020625969_100000210414 [0,2,0,0,0,0|0,0,0]=2 509 B13R0.1305 CCCCC(NC(=O)CC)C(=O)OC 188690a_100000701681_100000210414 [0,2,0,0,0,0|1,0,0]=3 510 B13R0.1305 CCCCC(NC(=O)CO)C(=O)OC 188690a_100000701681_100000210174 [0,2,0,0,0,0|1,0,0]=3 511 B13R0.1305 COC(=O)C[C@H](OCSC)C(=O)OC 34a_100015190871_100011218213 [0,2,0,0,0,0|2,0,0]=4 512 B13R0.1305 COC(=O)[C@@H](CCSC)NC(=O)CO 188690a_100020625969_100000210174 [0,2,0,0,0,0|0,0,0]=2 513 B13R0.1306 C#CCC(=O)N[C@@H](CCCC)C(=O)N 1626a_100000124899_100011220946 [0,2,0,0,0,0|2,0,0]=4 514 B13R0.1306 C#CCC(=O)N[C@@H](CCCC)C(=O)N 527a_100000124899_100011220946 [0,2,0,0,0,0|2,0,0]=4 515 B13R0.1306 C#CCC(=O)N[C@@H](CCSC)C(=O)N 1626a_100000119342_100011220946 [0,2,0,0,0,0|1,0,0]=3 516 B13R0.1306 C#CCC(=O)N[C@@H](CCSC)C(=O)N 527a_100000119342_100011220946 [0,2,0,0,0,0|1,0,0]=3 517 B13R0.1306 C=CCC(=O)N[C@@H](CCCC)C(=O)N 11a_100000124899_100000210193 [0,2,0,0,0,0|2,0,0]=4 518 B13R0.1306 C=CCC(=O)N[C@@H](CCCC)C(=O)N 1626a_100000124899_100000210193 [0,2,0,0,0,0|2,0,0]=4 519 B13R0.1306 C=CCC(=O)N[C@@H](CCCC)C(=O)N 240690a_100000124899_100000210193 [0,2,0,0,0,0|2,0,0]=4 520 B13R0.1306 C=CCC(=O)N[C@@H](CCCC)C(=O)N 527a_100000124899_100000210193 [0,2,0,0,0,0|2,0,0]=4 521 B13R0.1306 C=CCC(=O)N[C@@H](CCSC)C(=O)N 11a_100000119342_100000210193 [0,2,0,0,0,0|1,0,0]=3 522 B13R0.1306 C=CCC(=O)N[C@@H](CCSC)C(=O)N 1626a_100000119342_100000210193 [0,2,0,0,0,0|1,0,0]=3 523 B13R0.1306 C=CCC(=O)N[C@@H](CCSC)C(=O)N 240690a_100000119342_100000210193 [0,2,0,0,0,0|1,0,0]=3 524 B13R0.1306 C=CCC(=O)N[C@@H](CCSC)C(=O)N 527a_100000119342_100000210193 [0,2,0,0,0,0|1,0,0]=3 525 B13R0.1306 CC=CC(=O)N[C@@H](CCCC)C(=O)N 11a_100000124899_100000210699 [0,2,0,0,0,0|2,0,0]=4 526 B13R0.1306 CC=CC(=O)N[C@@H](CCCC)C(=O)N 1626a_100000124899_100000210699 [0,2,0,0,0,0|2,0,0]=4 527 B13R0.1306 CC=CC(=O)N[C@@H](CCCC)C(=O)N 240690a_100000124899_100000210699 [0,2,0,0,0,0|2,0,0]=4 528 B13R0.1306 CC=CC(=O)N[C@@H](CCSC)C(=O)N 11a_100000119342_100000210699 [0,2,0,0,0,0|1,0,0]=3 529 B13R0.1306 CC=CC(=O)N[C@@H](CCSC)C(=O)N 1626a_100000119342_100000210699 [0,2,0,0,0,0|1,0,0]=3 530 B13R0.1306 CC=CC(=O)N[C@@H](CCSC)C(=O)N 240690a_100000119342_100000210699 [0,2,0,0,0,0|1,0,0]=3 531 B13R0.1306 CCCC(=O)N[C@@H](CCSC)C(=O)N 11a_100000119342_100000211992 [0,2,0,0,0,0|1,0,0]=3 532 B13R0.1306 CCCC(=O)N[C@@H](CCSC)C(=O)N 1626a_100000119342_100000211992 [0,2,0,0,0,0|1,0,0]=3 533 B13R0.1306 CCCC(=O)N[C@@H](CCSC)C(=O)N 240690a_100000119342_100000211992 [0,2,0,0,0,0|1,0,0]=3 534 B13R0.1306 CCCC(=O)N[C@@H](CCSC)C(=O)N 527a_100000119342_100000211992 [0,2,0,0,0,0|1,0,0]=3 535 B13R0.1306 CCCC(C)N[C@@H](CCSC)C(=O)O 269956a_100000743919_100000766640 [0,2,0,0,0,0|1,0,1]=4 536 B13R0.1306 CCCCC(NC(=O)CNC)C(=O)O 269956a_100011217982_200000210301 [0,2,0,0,0,0|1,0,0]=3 537 B13R0.1306 CCCCC(NC(=O)CN[13CH3])C(=O)O 269956a_100011217982_200025704644 [0,2,0,0,0,0|1,0,0]=3 538 B13R0.1306 CCCC[C@H](NC(=O)CC#N)C(=O)N 1626a_100000124899_100051588842 [0,2,0,0,0,0|2,0,0]=4 539 B13R0.1306 CCCC[C@H](NC(=O)CC#N)C(=O)N 240690a_100000124899_100051588842 [0,2,0,0,0,0|2,0,0]=4 540 B13R0.1306 CCCC[C@H](NC(=O)CCC)C(=O)N 11a_100000124899_100000211992 [0,2,0,0,0,0|2,0,0]=4 541 B13R0.1306 CCCC[C@H](NC(=O)CCC)C(=O)N 1626a_100000124899_100000211992 [0,2,0,0,0,0|2,0,0]=4 542 B13R0.1306 CCCC[C@H](NC(=O)CCC)C(=O)N 240690a_100000124899_100000211992 [0,2,0,0,0,0|2,0,0]=4 543 B13R0.1306 CCCC[C@H](NC(=O)CCC)C(=O)N 527a_100000124899_100000211992 [0,2,0,0,0,0|2,0,0]=4 544 B13R0.1306 CCCC[C@H](NC(=O)CCO)C(=O)N 240690a_100000124899_100011216618 [0,2,0,0,0,0|2,0,0]=4 545 B13R0.1306 CCCC[C@H](NC(=O)COC)C(=O)N 11a_100000124899_100000210968 [0,2,0,0,0,0|2,0,0]=4 546 B13R0.1306 CCCC[C@H](NC(=O)COC)C(=O)N 1626a_100000124899_100000210968 [0,2,0,0,0,0|2,0,0]=4 547 B13R0.1306 CCCC[C@H](NC(=O)COC)C(=O)N 240690a_100000124899_100000210968 [0,2,0,0,0,0|2,0,0]=4 548 B13R0.1306 CCCC[C@H](NC(=O)COC)C(=O)N 527a_100000124899_100000210968 [0,2,0,0,0,0|2,0,0]=4 549 B13R0.1306 CCCC[C@H](NC(=O)CSC)C(=O)N 11a_100000124899_100000184570 [0,2,0,0,0,0|2,0,0]=4 550 B13R0.1306 CCCC[C@H](NC(=O)CSC)C(=O)N 1626a_100000124899_100000184570 [0,2,0,0,0,0|2,0,0]=4 551 B13R0.1306 CCCC[C@H](NC(=O)CSC)C(=O)N 240690a_100000124899_100000184570 [0,2,0,0,0,0|2,0,0]=4 552 B13R0.1306 CCCC[C@H](NC(=O)CSC)C(=O)N 527a_100000124899_100000184570 [0,2,0,0,0,0|2,0,0]=4 553 B13R0.1306 CCCC[C@H](NC(=O)NCC)C(=O)N 2708a_100015525214_100000124899 [0,2,0,0,0,0|2,0,0]=4 554 B13R0.1306 CCCC[C@H](NC(=O)NCC)C(=O)N 273464a_100000124899_100015525214 [0,2,0,0,0,0|2,0,0]=4 555 B13R0.1306 CCCC[C@H](NC(=O)NCC)C(=O)N 273464a_100015525214_100000124899 [0,2,0,0,0,0|2,0,0]=4 556 B13R0.1306 CCCC[C@H](NC(=O)NCC)C(=O)N 512a_100000124899_100015525214 [0,2,0,0,0,0|2,0,0]=4 557 B13R0.1306 CCCC[C@H](NC(=O)NCC)C(=O)N 512a_100015525214_100000124899 [0,2,0,0,0,0|2,0,0]=4 558 B13R0.1306 CCCC[C@H](NC(=O)NNC)C(=O)N 273464a_100000124899_100016993582 [0,2,0,0,0,0|2,0,0]=4 559 B13R0.1306 CCCC[C@H](NC(=O)NNC)C(=O)N 512a_100000124899_100016993582 [0,2,0,0,0,0|2,0,0]=4 560 B13R0.1306 CCCC[C@H](NC(=O)NNC)C(=O)N 512a_100016993582_100000124899 [0,2,0,0,0,0|2,0,0]=4 561 B13R0.1306 CCNC(=O)N[C@@H](CCSC)C(=O)N 2708a_100015525214_100000119342 [0,2,0,0,0,0|1,0,0]=3 562 B13R0.1306 CCNC(=O)N[C@@H](CCSC)C(=O)N 273464a_100000119342_100015525214 [0,2,0,0,0,0|1,0,0]=3 563 B13R0.1306 CCNC(=O)N[C@@H](CCSC)C(=O)N 273464a_100015525214_100000119342 [0,2,0,0,0,0|1,0,0]=3 564 B13R0.1306 CCNC(=O)N[C@@H](CCSC)C(=O)N 512a_100000119342_100015525214 [0,2,0,0,0,0|1,0,0]=3 565 B13R0.1306 CCNC(=O)N[C@@H](CCSC)C(=O)N 512a_100015525214_100000119342 [0,2,0,0,0,0|1,0,0]=3 566 B13R0.1306 CNCC(=O)N[C@@H](CCSC)C(=O)O 269956a_200011424795_200000210301 [0,2,0,0,0,0|0,0,0]=2 567 B13R0.1306 CNNC(=O)N[C@@H](CCSC)C(=O)N 273464a_100000119342_100016993582 [0,2,0,0,0,0|1,0,0]=3 568 B13R0.1306 CNNC(=O)N[C@@H](CCSC)C(=O)N 512a_100000119342_100016993582 [0,2,0,0,0,0|1,0,0]=3 569 B13R0.1306 CNNC(=O)N[C@@H](CCSC)C(=O)N 512a_100016993582_100000119342 [0,2,0,0,0,0|1,0,0]=3 570 B13R0.1306 COCC(=O)N[C@@H](CCSC)C(=O)N 11a_100000119342_100000210968 [0,2,0,0,0,0|1,0,0]=3 571 B13R0.1306 COCC(=O)N[C@@H](CCSC)C(=O)N 1626a_100000119342_100000210968 [0,2,0,0,0,0|1,0,0]=3 572 B13R0.1306 COCC(=O)N[C@@H](CCSC)C(=O)N 240690a_100000119342_100000210968 [0,2,0,0,0,0|1,0,0]=3 573 B13R0.1306 COCC(=O)N[C@@H](CCSC)C(=O)N 527a_100000119342_100000210968 [0,2,0,0,0,0|1,0,0]=3 574 B13R0.1306 COCC(C)N[C@@H](CCSC)C(=O)O 269956a_100000743919_100000765312 [0,2,0,0,0,0|0,0,2]=4 575 B13R0.1306 CSCC[C@H](NC(=O)C=CBr)C(=O)N 1626a_100000119342_100016273825 [0,2,0,0,0,0|1,0,1]=4 576 B13R0.1306 CSCC[C@H](NC(=O)C=CBr)C(=O)N 240690a_100000119342_100016273825 [0,2,0,0,0,0|1,0,1]=4 577 B13R0.1306 CSCC[C@H](NC(=O)C=CCl)C(=O)N 11a_100000119342_200016279998 [0,2,0,0,0,0|1,0,1]=4 578 B13R0.1306 CSCC[C@H](NC(=O)C=CCl)C(=O)N 1626a_100000119342_200016279998 [0,2,0,0,0,0|1,0,1]=4 579 B13R0.1306 CSCC[C@H](NC(=O)C=CCl)C(=O)N 240690a_100000119342_200016279998 [0,2,0,0,0,0|1,0,1]=4 580 B13R0.1306 CSCC[C@H](NC(=O)C=CI)C(=O)N 1626a_100000119342_100016256311 [0,2,0,0,0,0|1,0,1]=4 581 B13R0.1306 CSCC[C@H](NC(=O)CC#N)C(=O)N 1626a_100000119342_100051588842 [0,2,0,0,0,0|1,0,0]=3 582 B13R0.1306 CSCC[C@H](NC(=O)CC#N)C(=O)N 240690a_100000119342_100051588842 [0,2,0,0,0,0|1,0,0]=3 583 B13R0.1306 CSCC[C@H](NC(=O)CCO)C(=O)N 240690a_100000119342_100011216618 [0,2,0,0,0,0|1,0,0]=3 584 B13R0.1306 CSCC[C@H](NC(=O)CN[13CH3])C(=O)O 269956a_200011424795_200025704644 [0,2,0,0,0,0|0,0,0]=2 585 B13R0.1306 CSCC[C@H](NC(=O)CSC)C(=O)N 11a_100000119342_100000184570 [0,2,0,0,0,0|1,0,0]=3 586 B13R0.1306 CSCC[C@H](NC(=O)CSC)C(=O)N 1626a_100000119342_100000184570 [0,2,0,0,0,0|1,0,0]=3 587 B13R0.1306 CSCC[C@H](NC(=O)CSC)C(=O)N 240690a_100000119342_100000184570 [0,2,0,0,0,0|1,0,0]=3 588 B13R0.1306 CSCC[C@H](NC(=O)CSC)C(=O)N 527a_100000119342_100000184570 [0,2,0,0,0,0|1,0,0]=3 589 B13R0.1306 CSCC[C@H](NC(C)CC#N)C(=O)O 269956a_100000743919_100009813641 [0,2,0,0,0,0|1,0,1]=4 590 B13R0.1306 CSCC[C@H](NC(C)CCO)C(=O)O 269956a_100000743919_100009893172 [0,2,0,0,0,0|0,0,2]=4 591 B13R0.1531 C#CC(C)(C)N[C@@H](CCSC)C(=O)O 269956a_100000743919_100000038118 [0,2,0,0,0,0|1,0,1]=4 592 B13R0.1531 CCC(C)(C)N[C@@H](CCSC)C(=O)O 269956a_100000743919_100000032637 [0,2,0,0,0,0|1,0,1]=4 593 B13R0.1531 CCS(=O)(=O)NC(CCSC)C(=O)C 1458a_100000169595_200000210301 [0,2,0,0,0,0|2,0,0]=4 594 B13R0.1531 CCS(=O)(=O)NC(CCSC)C(=O)[13CH3] 1458a_100000169595_200025704644 [0,2,0,0,0,0|2,0,0]=4 595 B13R0.1531 CCS(=O)(=O)N[C@@H](CCSC)C(=O)N 270084a_100000119342_100000211323 [0,2,0,0,0,0|2,0,0]=4 596 B13R0.1531 CCS(=O)(=O)N[C@@H](CCSC)C(=O)N 274078a_100000119342_100000211323 [0,2,0,0,0,0|2,0,0]=4 597 B13R0.1531 CCS(=O)(=O)N[C@@H](CCSC)C(=O)N 40a_100000119342_100000053943 [0,2,0,0,0,0|2,0,0]=4 598 B13R0.1531 CSCC[C@H](NC(F)(F)CO)C(=O)O 269956a_100000743919_100011217949 [0,2,0,0,0,0|1,0,1]=4 599 B13R0.1531 CSCC[C@H](NS(=O)(=O)CCl)C(=O)N 270084a_100000119342_100000031410 [0,2,0,0,0,0|2,0,0]=4 600 B13R0.1531 CSCC[C@H](NS(=O)(=O)CCl)C(=O)N 274078a_100000119342_100000031410 [0,2,0,0,0,0|2,0,0]=4 601 B13R0.253 CC(=O)N[C@@H](CCS(=O)C)C(=O)CF 1458a_200020641884_100015361967 [0,2,0,0,0,0|1,0,1]=4 602 B13R0.253 CCC(=O)[C@H](CCS(=O)C)NC(=O)C 1458a_200020641884_100000210202 [0,2,0,0,0,0|1,0,1]=4 603 B13R0.253 CNC(=O)[C@H](CCS(=O)C)NC(=O)C 1626a_100102657272_200020641884 [0,2,0,0,0,0|1,0,1]=4 604 B13R0.253 CNC(=O)[C@H](CCS(=O)C)NC(=O)C 240690a_100102657272_200020641884 [0,2,0,0,0,0|1,0,1]=4 605 B13R0.253 CNC(=O)[C@H](CCS(=O)C)NC(=O)C 527a_100102657272_200020641884 [0,2,0,0,0,0|1,0,1]=4 606 B13R0.253 COC(=O)C(CSC(C)C)NC(=O)C 62a_100000210206_100000763271 [0,2,0,0,0,0|2,0,0]=4 607 B13R0.253 COC(=O)C(CSC(C)C)NC(=O)C 62a_100000763271_100000210206 [0,2,0,0,0,0|2,0,0]=4 608 B13R0.253 COC(=O)[C@H](CCC(=O)C)NC(=O)C 1458a_200010776074_200000210301 [0,2,0,0,0,0|1,0,0]=3 609 B13R0.253 COC(=O)[C@H](CCC(=O)[13CH3])NC(=O)C 1458a_200010776074_200025704644 [0,2,0,0,0,0|1,0,0]=3 610 B13R0.200 CCN(C)CC(NC(=O)C)C(=O)OC 269982a_100000225621_100000763271 [0,2,0,0,0,0|2,0,0]=4 611 B13R0.159 C#CCC(=O)C(CCCC)NC(=O)C 1458a_100000194794_100000184674 [0,2,0,0,0,0|2,0,0]=4 612 B13R0.159 C#CCC(=O)C(CCSC)NC(=O)N 1458a_100000182937_100000184674 [0,2,0,0,0,0|2,0,0]=4 613 B13R0.159 C#CCC(=O)[C@@H](CCSC)NC(=O)C 1458a_100011933958_100000184674 [0,2,0,0,0,0|1,0,0]=3 614 B13R0.159 C=CCC(=O)C(CCCC)NC(=O)C 1458a_100000194794_100000210623 [0,2,0,0,0,0|2,0,0]=4 615 B13R0.159 C=CCC(=O)C(CCSC)NC(=O)N 1458a_100000182937_100000210623 [0,2,0,0,0,0|2,0,0]=4 616 B13R0.159 C=CCC(=O)[C@@H](CCSC)NC(=O)C 1458a_100011933958_100000210623 [0,2,0,0,0,0|1,0,0]=3 617 B13R0.159 CCCC(=O)C(CCSC)NC(=O)N 1458a_100000182937_100000210303 [0,2,0,0,0,0|2,0,0]=4 618 B13R0.159 CCCC(=O)[C@@H](CCSC)NC(=O)C 1458a_100011933958_100000210303 [0,2,0,0,0,0|1,0,0]=3 619 B13R0.159 CCCCC(NC(=O)C)C(=O)CC#N 1458a_100000194794_100011214920 [0,2,0,0,0,0|2,0,0]=4 620 B13R0.159 CCCCC(NC(=O)C)C(=O)CCC 1458a_100000194794_100000210303 [0,2,0,0,0,0|2,0,0]=4 621 B13R0.159 CCCCC(NC(=O)C)C(=O)CCF 1458a_100000194794_100011217306 [0,2,0,0,0,0|2,0,0]=4 622 B13R0.159 CCCCC(NC(=O)C)C(=O)CCO 1458a_100000194794_100000211926 [0,2,0,0,0,0|1,0,0]=3 623 B13R0.159 CCCCC(NC(=O)C)C(=O)NCC 11a_100015525214_100000194794 [0,2,0,0,0,0|2,0,0]=4 624 B13R0.159 CCCCC(NC(=O)C)C(=O)NCC 240690a_100015525214_100000194794 [0,2,0,0,0,0|2,0,0]=4 625 B13R0.159 CCCCC(NC(=O)C)C(=O)NCC 527a_100015525214_100000194794 [0,2,0,0,0,0|2,0,0]=4 626 B13R0.159 CCCCC(NC(=O)C)C(=O)NNC 22a_100016993582_100000194794 [0,2,0,0,0,0|2,0,0]=4 627 B13R0.159 CCNC(=O)C(CCSC)NC(=O)N 240690a_100015525214_100000182937 [0,2,0,0,0,0|2,0,0]=4 628 B13R0.159 CCNC(=O)C(CCSC)NC(=O)N 527a_100015525214_100000182937 [0,2,0,0,0,0|2,0,0]=4 629 B13R0.159 CCNC(=O)[C@@H](CCSC)NC(=O)C 11a_100015525214_100011933958 [0,2,0,0,0,0|1,0,0]=3 630 B13R0.159 CCNC(=O)[C@@H](CCSC)NC(=O)C 240690a_100015525214_100011933958 [0,2,0,0,0,0|1,0,0]=3 631 B13R0.159 CCNC(=O)[C@@H](CCSC)NC(=O)C 527a_100015525214_100011933958 [0,2,0,0,0,0|1,0,0]=3 632 B13R0.159 CCOC(=O)[C@H](CCSC)NC(=O)C 188690a_100016988351_100015343762 [0,2,0,0,0,0|0,0,0]=2 633 B13R0.159 CNNC(=O)C(CCSC)NC(=O)N 22a_100016993582_100000182937 [0,2,0,0,0,0|2,0,0]=4 634 B13R0.159 CNNC(=O)[C@@H](CCSC)NC(=O)C 22a_100016993582_100011933958 [0,2,0,0,0,0|1,0,0]=3 635 B13R0.159 CSCCC(NC(=O)N)C(=O)CC#N 1458a_100000182937_100011214920 [0,2,0,0,0,0|2,0,0]=4 636 B13R0.159 CSCCC(NC(=O)N)C(=O)CCF 1458a_100000182937_100011217306 [0,2,0,0,0,0|2,0,0]=4 637 B13R0.159 CSCCC(NC(=O)N)C(=O)CCO 1458a_100000182937_100000211926 [0,2,0,0,0,0|1,0,0]=3 638 B13R0.159 CSCC[C@@H](NC(=O)C)C(=O)CC#N 1458a_100011933958_100011214920 [0,2,0,0,0,0|1,0,0]=3 639 B13R0.159 CSCC[C@@H](NC(=O)C)C(=O)CCF 1458a_100011933958_100011217306 [0,2,0,0,0,0|1,0,0]=3 640 B13R0.159 CSCC[C@@H](NC(=O)C)C(=O)CCO 1458a_100011933958_100000211926 [0,2,0,0,0,0|0,0,0]=2 641 B11R1.86 CC(=O)NC1CCCNC1=O 11a_100000747585_100015343762 [1,0,0,1,0,0|1,0,0]=3 642 B11R1.86 CC(=O)NC1CCCNC1=O 1626a_100000747585_100015343762 [1,0,0,1,0,0|1,0,0]=3 643 B11R1.86 CC(=O)NC1CCCNC1=O 240690a_100000747585_100015343762 [1,0,0,1,0,0|1,0,0]=3 644 B11R1.86 CC(=O)NC1CCCNC1=O 527a_100000747585_100103153847 [1,0,0,1,0,0|1,0,0]=3 645 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100015343762 [1,0,0,1,0,0|1,0,1]=4 646 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100103153847 [1,0,0,1,0,0|1,0,1]=4 647 B11R1.178 CC(=O)C1CCCN1C(=O)N 1458a_200000183025_200000210301 [1,0,0,1,0,0|2,0,0]=4 648 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N 11a_100000003125_100015343762 [1,0,0,1,0,0|1,0,0]=3 649 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N 240690a_100000003125_100015343762 [1,0,0,1,0,0|1,0,0]=3 650 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N 527a_100000003125_100103153847 [1,0,0,1,0,0|1,0,0]=3 651 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)[13CH3] 1458a_100011416801_200025704644 [1,0,0,1,0,0|1,0,0]=3 652 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)[13CH3] 1458a_100011417960_200025704644 [1,0,0,1,0,0|1,0,0]=3 653 B11R1.178 CC(=O)[C@@H]1CCCN1C(=O)C 1458a_100011416801_200000210301 [1,0,0,1,0,0|1,0,0]=3 654 B11R1.178 CC(=O)[C@@H]1CSCN1C(=O)C 1458a_100011417960_200000210301 [1,0,0,1,0,0|1,0,0]=3 655 B11R1.178 CC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100000210206 [1,0,0,1,0,0|1,0,1]=4 656 B11R1.178 CC(C)N1CSC[C@H]1C(=O)O 269956a_100000743924_100000210206 [1,0,0,1,0,0|1,0,1]=4 657 B11R1.178 [13CH3]C(=O)C1CCCN1C(=O)N 1458a_200000183025_200025704644 [1,0,0,1,0,0|2,0,0]=4 658 B11R1.234 CC(=O)N[C@@H]1CCC[C@@]1(C)O 11a_100015977457_100015343762 [1,0,0,1,0,0|1,0,1]=4 659 B11R1.234 CC(=O)N[C@@H]1CCC[C@@]1(C)O 1626a_100015977457_100015343762 [1,0,0,1,0,0|1,0,1]=4 660 B11R1.234 CC(=O)N[C@@H]1CCC[C@@]1(C)O 240690a_100015977457_100015343762 [1,0,0,1,0,0|1,0,1]=4 661 B11R1.234 CC(=O)N[C@@H]1CCC[C@@]1(C)O 527a_100015977457_100103153847 [1,0,0,1,0,0|1,0,1]=4 662 B11R1.645 CC(C)NC1CC(OC1=O)C 2230a_100138425928_200000216747 [1,0,0,1,0,0|1,0,1]=4 663 B11R1.645 CC(C)NC1CC(OC1=O)C 34a_100138425928_200000216747 [1,0,0,1,0,0|1,0,1]=4 664 B11R1.806 CCC[C@H](NC1CC1)C(=O)O 269956a_100000750406_100000211595 [1,0,0,1,0,0|1,0,1]=4 665 B11R1.806 CSC[C@H](NC1CC1)C(=O)O 269956a_100011421858_100000211595 [1,0,0,1,0,0|1,0,1]=4 666 B11R1.929 CC(C)NC1(CCC1)C(=O)O 269956a_100000688724_100000210206 [1,0,0,1,0,0|1,0,1]=4 667 B11R1.53 CC(=O)N1CCCCC1CO 240690a_100000210821_100015343762 [1,0,0,1,0,0|1,0,1]=4 668 B11R1.751 CC(=O)N[C@H](CO)C1COC1 240690a_217856628679_100015343762 [1,0,0,1,0,0|0,1,1]=4 669 B11R1.751 CC(=O)N[C@H](CO)C1COC1 527a_217856628679_100103153847 [1,0,0,1,0,0|0,1,1]=4 670 B11R1.1062 CC(=O)NC1(CCCC1)CO 240690a_100000749328_100015343762 [1,0,0,1,0,0|1,0,1]=4 671 B11R1.1062 CC(=O)NC1(CCCC1)CO 527a_100000749328_100103153847 [1,0,0,1,0,0|1,0,1]=4 672 B11R1.193 CSCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100011218213 [1,0,0,1,0,0|2,0,0]=4 673 B11R1.760 CCNC(C(=O)O)C1CCC1 269956a_100000765838_100000210202 [1,0,0,1,0,0|1,0,1]=4 674 B11R1.1239 CCNC1(CCCC1)C(=O)O 269956a_100000739329_100000210202 [1,0,0,1,0,0|1,0,1]=4 675 B11R1.143 CC(=O)C1CCCCCC1=O 1458a_100000070787_100000243696 [0,0,0,1,1,0|2,0,0]=4 676 B11R1.143 CC(=O)C1CCCCNC1=O 1458a_100000070787_100000735217 [0,0,0,1,1,0|2,0,0]=4 677 B11R1.465 CCCOC1C(=O)COC1=O 34a_100000210258_100000032967 [0,0,0,1,1,0|2,0,0]=4 678 B11R1.465 CCCSC1C(=O)COC1=O 62a_100000210303_100000032967 [0,0,0,1,1,0|2,0,0]=4 679 B11R1.465 COCSC1C(=O)COC1=O 62a_100000766300_100000032967 [0,0,0,1,1,0|1,1,0]=4 680 B11R1.465 CSCCN1C(=O)CCC1=O 62a_200000210301_100000736797 [0,0,0,1,1,0|2,0,0]=4 681 B11R1.465 CSCSC1C(=O)CCC1=O 62a_100009820769_100011218213 [0,0,0,1,1,0|2,0,0]=4 682 B11R1.465 CSCSC1C(=O)CCC1=O 62a_100011218213_100009820769 [0,0,0,1,1,0|2,0,0]=4 683 B11R1.465 CSCSC1C(=O)COC1=O 62a_100011218213_100000032967 [0,0,0,1,1,0|1,0,0]=3 684 B11R1.465 [13CH3]SCCN1C(=O)CCC1=O 62a_200025704644_100000736797 [0,0,0,1,1,0|2,0,0]=4 685 B13R1.589 C=C(C)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000748629 [0,0,0,1,0,1|2,0,0]=4 686 B13R1.589 C=C(C)CN1CSCCC1C(=O)O 269956a_100015185162_100000748629 [0,0,0,1,0,1|1,0,0]=3 687 B13R1.589 C=C(F)CN1CSCCC1C(=O)O 269956a_100015185162_100000042424 [0,0,0,1,0,1|1,0,1]=4 688 B13R1.589 CC(C)CN1CSCCC1C(=O)O 269956a_100015185162_100000210760 [0,0,0,1,0,1|1,0,1]=4 689 B13R1.589 CC(O)CN1CSCCC1C(=O)O 269956a_100015185162_100011218427 [0,0,0,1,0,1|0,0,2]=4 690 B13R1.589 C[C@@H](O)CN1CSCCC1C(=O)O 269956a_100015185162_100009817552 [0,0,0,1,0,1|0,0,2]=4 691 B13R1.589 NC(=O)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000187820 [0,0,0,1,0,1|2,0,0]=4 692 B13R1.589 NC(=O)CN1CSCCC1C(=O)O 269956a_100015185162_100000187820 [0,0,0,1,0,1|1,0,0]=3 693 B13R1.589 O=C(O)C1CCSCN1C[N+](=O)[O-] 269956a_100015185162_100000761209 [0,0,0,1,0,1|2,0,0]=4 694 B13R1.589 O=C([O-])CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100020667443 [0,0,0,1,0,1|2,0,0]=4 695 B13R1.589 O=C([O-])CN1CSCCC1C(=O)O 269956a_100015185162_100020667443 [0,0,0,1,0,1|1,0,0]=3 696 B13R1.3583 CSCC[C@H](NCC1CC1)C(=O)O 269956a_100000743919_100000742324 [0,0,0,1,0,1|1,0,1]=4 697 B13R1.3583 CSCC[C@H](NCC1CO1)C(=O)O 269956a_100000743919_102125554688 [0,0,0,1,0,1|0,0,2]=4 698 B13R1.3583 CSCC[C@H](NCC1CS1)C(=O)O 269956a_100000743919_100000031435 [0,0,0,1,0,1|0,1,1]=4 699 B13R1.3583 CSCC[C@H](NC[C@@H]1CO1)C(=O)O 269956a_100000743919_100000745022 [0,0,0,1,0,1|0,0,2]=4 700 B13R1.7749 C=C(C)CNC(C(=O)O)C1CCC1 269956a_100000765838_100000748629 [0,0,0,1,0,1|2,0,0]=4 701 B13R1.7749 NC(=O)CNC(C(=O)O)C1CCC1 269956a_100000765838_100000187820 [0,0,0,1,0,1|2,0,0]=4 702 B13R1.7749 O=C([O-])CNC(C(=O)O)C1CCC1 269956a_100000765838_100020667443 [0,0,0,1,0,1|2,0,0]=4 703 B13R1.8685 C=C(C)CNC1(CCCC1)C(=O)O 269956a_100000739329_100000748629 [0,0,0,1,0,1|2,0,0]=4 704 B13R1.8685 NC(=O)CNC1(CCCC1)C(=O)O 269956a_100000739329_100000187820 [0,0,0,1,0,1|2,0,0]=4 705 B13R1.8685 O=C([O-])CNC1(CCCC1)C(=O)O 269956a_100000739329_100020667443 [0,0,0,1,0,1|2,0,0]=4 706 B13R1.1113 CC(=O)NC(C(=O)C)C1CCCC1 1458a_100000234342_200000210301 [0,1,0,1,0,0|2,0,0]=4 707 B13R1.1113 CC(=O)NC(C(=O)[13CH3])C1CCCC1 1458a_100000234342_200025704644 [0,1,0,1,0,0|2,0,0]=4 708 B13R1.8842 CC(=O)NC1(CCCCC1)C(=O)C 1458a_200000194729_200000210301 [0,1,0,1,0,0|2,0,0]=4 709 B13R1.8842 CC(=O)NC1(CCCCC1)C(=O)N 11a_100000746659_100015343762 [0,1,0,1,0,0|2,0,0]=4 710 B13R1.8842 CC(=O)NC1(CCCCC1)C(=O)N 1626a_100000746659_100015343762 [0,1,0,1,0,0|2,0,0]=4 711 B13R1.8842 CC(=O)NC1(CCCCC1)C(=O)N 240690a_100000746659_100015343762 [0,1,0,1,0,0|2,0,0]=4 712 B13R1.8842 CC(=O)NC1(CCCCC1)C(=O)N 527a_100000746659_100103153847 [0,1,0,1,0,0|2,0,0]=4 713 B13R1.8842 CC(=O)NC1(CCCCC1)C(=O)[13CH3] 1458a_200000194729_200025704644 [0,1,0,1,0,0|2,0,0]=4 714 B13R1.8854 CS(=O)C[C@H](NCC1CS1)C(=O)O 269956a_100009817418_100000031435 [0,1,0,1,0,0|2,0,0]=4 715 B13R1.349 CC(C)(C)N1CSCCC1C(=O)O 269956a_100015185162_100000211941 [0,1,0,1,0,0|1,0,1]=4 716 B13R1.527 CCC(=O)NC1CCCCNC1=O 11a_100000698827_100000210414 [0,1,0,1,0,0|2,0,0]=4 717 B13R1.527 CCC(=O)NC1CCCCNC1=O 1626a_100000698827_100000210414 [0,1,0,1,0,0|2,0,0]=4 718 B13R1.527 CCC(=O)NC1CCCCNC1=O 240690a_100000698827_100000210414 [0,1,0,1,0,0|2,0,0]=4 719 B13R1.527 CCC(=O)NC1CCCCNC1=O 527a_100000698827_100000210414 [0,1,0,1,0,0|2,0,0]=4 720 B13R1.527 CNC(=O)NC1CCCCNC1=O 2708a_100102657272_100000698827 [0,1,0,1,0,0|2,0,0]=4 721 B13R1.527 CNC(=O)NC1CCCCNC1=O 273464a_100000698827_100102657272 [0,1,0,1,0,0|2,0,0]=4 722 B13R1.527 CNC(=O)NC1CCCCNC1=O 273464a_100102657272_100000698827 [0,1,0,1,0,0|2,0,0]=4 723 B13R1.527 CNC(=O)NC1CCCCNC1=O 512a_100000698827_100102657272 [0,1,0,1,0,0|2,0,0]=4 724 B13R1.527 CNC(=O)NC1CCCCNC1=O 512a_106832991638_100000698827 [0,1,0,1,0,0|2,0,0]=4 725 B13R1.527 O=C(CO)NC1CCCCNC1=O 240690a_100000698827_100000210174 [0,1,0,1,0,0|2,0,0]=4 726 B13R1.527 O=C(CO)NC1CCCCNC1=O 527a_100000698827_100000210174 [0,1,0,1,0,0|2,0,0]=4 727 B13R1.547 C#CC(C)N1CSCCC1C(=O)O 269956a_100015185162_200000035995 [0,1,0,1,0,0|1,0,1]=4 728 B13R1.547 C=CC(C)N1CSCCC1C(=O)O 269956a_100015185162_100011215867 [0,1,0,1,0,0|1,0,1]=4 729 B13R1.547 CC(=O)N1CCCCC1C(=O)CF 1458a_100000195068_100015361967 [0,1,0,1,0,0|2,0,0]=4 730 B13R1.547 CC(C#N)N1CSCCC1C(=O)O 269956a_100015185162_100000184139 [0,1,0,1,0,0|1,0,1]=4 731 B13R1.547 CCC(=O)C1CCCCN1C(=O)C 1458a_100000195068_100000210202 [0,1,0,1,0,0|2,0,0]=4 732 B13R1.547 CCC(=O)N1CCCCC1C(=O)N 1626a_100000181395_100000210414 [0,1,0,1,0,0|2,0,0]=4 733 B13R1.547 CCC(=O)N1CCCCC1C(=O)N 527a_100000181395_100000210414 [0,1,0,1,0,0|2,0,0]=4 734 B13R1.547 CCC(C)N1CSCCC1C(=O)O 269956a_100015185162_100000758301 [0,1,0,1,0,0|1,0,1]=4 735 B13R1.547 CNC(=O)C1CCCCN1C(=O)C 11a_100011209383_100015343762 [0,1,0,1,0,0|2,0,0]=4 736 B13R1.547 CNC(=O)C1CCCCN1C(=O)C 11a_106832991635_100000195068 [0,1,0,1,0,0|2,0,0]=4 737 B13R1.547 CNC(=O)C1CCCCN1C(=O)C 1626a_100102657272_100000195068 [0,1,0,1,0,0|2,0,0]=4 738 B13R1.547 CNC(=O)C1CCCCN1C(=O)C 240690a_100011209383_100015343762 [0,1,0,1,0,0|2,0,0]=4 739 B13R1.547 CNC(=O)C1CCCCN1C(=O)C 240690a_100102657272_100000195068 [0,1,0,1,0,0|2,0,0]=4 740 B13R1.547 CNC(=O)C1CCCCN1C(=O)C 527a_100011209383_100103153847 [0,1,0,1,0,0|2,0,0]=4 741 B13R1.547 CNC(=O)C1CCCCN1C(=O)C 527a_100102657272_100000195068 [0,1,0,1,0,0|2,0,0]=4 742 B13R1.547 CNC(=O)N1CCCCC1C(=O)N 273464a_100102657272_100000181395 [0,1,0,1,0,0|2,0,0]=4 743 B13R1.547 COC(=O)C1CCCCN1C(=O)C 11a_100000734855_100015343762 [0,1,0,1,0,0|1,0,0]=3 744 B13R1.547 COC(=O)C1CCCCN1C(=O)C 1626a_100000734855_100015343762 [0,1,0,1,0,0|1,0,0]=3 745 B13R1.547 COC(=O)C1CCCCN1C(=O)C 240690a_100000734855_100015343762 [0,1,0,1,0,0|1,0,0]=3 746 B13R1.547 COC(=O)C1CCCCN1C(=O)C 527a_100000734855_100103153847 [0,1,0,1,0,0|1,0,0]=3 747 B13R1.547 COC(=O)C1COCCN1C(=O)C 11a_100000765174_100015343762 [0,1,0,1,0,0|2,0,0]=4 748 B13R1.547 COC(=O)C1COCCN1C(=O)C 240690a_100000765174_100015343762 [0,1,0,1,0,0|2,0,0]=4 749 B13R1.547 COC(=O)N1CCCCC1C(=O)C 1458a_100000236124_200000210301 [0,1,0,1,0,0|2,0,0]=4 750 B13R1.547 COC(=O)N1CCCCC1C(=O)[13CH3] 1458a_100000236124_200025704644 [0,1,0,1,0,0|2,0,0]=4 751 B13R1.547 COC(=O)[C@H]1CCCC[C@H]1C(=O)C 1458a_100009817520_200000210301 [0,1,0,1,0,0|2,0,0]=4 752 B13R1.547 COC(=O)[C@H]1CCCC[C@H]1C(=O)[13CH3] 1458a_100009817520_200025704644 [0,1,0,1,0,0|2,0,0]=4 753 B13R1.547 COC(C)N1CSCCC1C(=O)O 269956a_100015185162_100009879195 [0,1,0,1,0,0|0,0,2]=4 754 B13R1.547 C[C@H](CO)N1CSCCC1C(=O)O 269956a_100015185162_100016084084 [0,1,0,1,0,0|0,0,2]=4 755 B13R1.547 NC(=O)C1CCCCN1C(=O)CO 527a_100000181395_100000210174 [0,1,0,1,0,0|2,0,0]=4 756 B13R1.3582 CSCC[C@H](NC1CCC1)C(=O)O 269956a_100000743919_100000749161 [0,1,0,1,0,0|1,0,1]=4 757 B13R1.3582 CSCC[C@H](NC1COC1)C(=O)O 269956a_100000743919_100009818527 [0,1,0,1,0,0|0,0,2]=4 758 B13R1.4930 CCC(=O)NC1(CCCC1)C(=O)N 11a_100000755618_100000210414 [0,1,0,1,0,0|2,0,0]=4 759 B13R1.4930 CCC(=O)NC1(CCCC1)C(=O)N 1626a_100000755618_100000210414 [0,1,0,1,0,0|2,0,0]=4 760 B13R1.4930 CCC(=O)NC1(CCCC1)C(=O)N 527a_100000755618_100000210414 [0,1,0,1,0,0|2,0,0]=4 761 B13R1.4930 CNC(=O)NC1(CCCC1)C(=O)N 273464a_100000755618_100102657272 [0,1,0,1,0,0|2,0,0]=4 762 B13R1.4930 CNC(=O)NC1(CCCC1)C(=O)N 273464a_100102657272_100000755618 [0,1,0,1,0,0|2,0,0]=4 763 B13R1.4930 CNC(=O)NC1(CCCC1)C(=O)N 512a_100000755618_100102657272 [0,1,0,1,0,0|2,0,0]=4 764 B13R1.4930 NC(=O)C1(CCCC1)NC(=O)CO 527a_100000755618_100000210174 [0,1,0,1,0,0|2,0,0]=4 765 B13R1.3499 CC(=O)NC1CCCCN(C1=O)C 11a_100159325733_100015343762 [0,1,0,1,0,0|2,0,0]=4 766 B13R1.3499 CC(=O)NC1CCCCN(C1=O)C 1626a_100159325733_100015343762 [0,1,0,1,0,0|2,0,0]=4 767 B13R1.3499 CC(=O)NC1CCCCN(C1=O)C 240690a_100159325733_100015343762 [0,1,0,1,0,0|2,0,0]=4 768 B13R1.3499 CC(=O)NC1CCCCN(C1=O)C 527a_100159325733_100103153847 [0,1,0,1,0,0|2,0,0]=4 769 B13R1.4619 COC(=O)[C@H](CC1CC1)NC(=O)C 188690a_200134616747_100015343762 [0,1,0,1,0,0|1,0,0]=3 770 B13R1.4661 COC(=O)C1(CCCC1)NC(=O)C 188690a_100000736390_100015343762 [0,1,0,1,0,0|1,0,0]=3 771 B13R1.4661 COC(=O)C1(CCOC1)NC(=O)C 188690a_100000686312_100015343762 [0,1,0,1,0,0|0,1,0]=3 772 B13R1.4719 CC(=O)N[C@@H](C(=O)CF)C1CCC1 1458a_100015353301_100015361967 [0,1,0,1,0,0|2,0,0]=4 773 B13R1.4719 CCC(=O)[C@H](NC(=O)C)C1CCC1 1458a_100015353301_100000210202 [0,1,0,1,0,0|2,0,0]=4 774 B13R1.4719 CNC(=O)[C@H](NC(=O)C)C1CCC1 11a_106832991635_100015353301 [0,1,0,1,0,0|2,0,0]=4 775 B13R1.4719 CNC(=O)[C@H](NC(=O)C)C1CCC1 1626a_100102657272_100015353301 [0,1,0,1,0,0|2,0,0]=4 776 B13R1.4719 CNC(=O)[C@H](NC(=O)C)C1CCC1 240690a_100102657272_100015353301 [0,1,0,1,0,0|2,0,0]=4 777 B13R1.4719 CNC(=O)[C@H](NC(=O)C)C1CCC1 527a_100102657272_100015353301 [0,1,0,1,0,0|2,0,0]=4 778 B13R1.4719 COC(=O)C(NC(=O)C)C1CCC1 188690a_100020673065_100015343762 [0,1,0,1,0,0|1,0,0]=3 779 B13R2.5514 O=C(O)C1CCSCN1C2CC2 269956a_100015185162_100000211595 [0,0,0,2,0,0|1,0,1]=4 780 B9R0.33 CCSC(C(=O)C)C(=O)C 62a_100000210202_100000210371 [1,0,0,0,1,0|2,0,0]=4 781 B9R0.33 CCSC(C(=O)C)C(=O)C 62a_100000210371_100000210202 [1,0,0,0,1,0|2,0,0]=4 782 B11R0.164 C=C(C)CN[C@H](CO)CCSC 2230a_100011827619_100000748629 [1,0,0,0,0,1|1,0,1]=4 783 B11R0.164 CSCC[C@@H](CO)NCC(=O)N 2230a_100011827619_100000747473 [1,0,0,0,0,1|1,0,1]=4 784 B13R0.1298 C=C(C)CCN[C@@H](CCSC)C(=O)N 2230a_100000119342_100000730704 [0,0,0,0,0,2|2,0,0]=4 785 B13R0.1298 C=C(C)CCN[C@@H](CCSC)C(=O)N 34a_100000119342_100000730704 [0,0,0,0,0,2|2,0,0]=4 786 B13R0.1298 C=C(C)CCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000730704 [0,0,0,0,0,2|1,0,0]=3 787 B13R0.1298 C=C(C)CCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000730704 [0,0,0,0,0,2|1,1,0]=4 788 B13R0.1298 CCCC[C@H](NCOC(=O)C)C(=O)N 34a_100000124899_100009813279 [0,0,0,0,0,2|2,0,0]=4 789 B13R0.1298 CSCC[C@H](NCC=C(C)C)C(=O)N 2230a_100000119342_100000761012 [0,0,0,0,0,2|2,0,0]=4 790 B13R0.1298 CSCC[C@H](NCC=C(C)C)C(=O)N 34a_100000119342_100000761012 [0,0,0,0,0,2|2,0,0]=4 791 B13R0.1298 CSCC[C@H](NCC=C(C)C)C(=O)O 269956a_100000743919_100000761012 [0,0,0,0,0,2|1,0,0]=3 792 B13R0.1298 CSCC[C@H](NCCC(=O)C)C(=O)O 269956a_100000743919_100000053229 [0,0,0,0,0,2|0,0,0]=2 793 B13R0.1298 CSCC[C@H](NCCC(=O)N)C(=O)N 2230a_100000119342_100000744528 [0,0,0,0,0,2|2,0,0]=4 794 B13R0.1298 CSCC[C@H](NCCC(=O)N)C(=O)N 34a_100000119342_100000731001 [0,0,0,0,0,2|2,0,0]=4 795 B13R0.1298 CSCC[C@H](NCCC(=O)N)C(=O)O 269956a_100000743919_100000744528 [0,0,0,0,0,2|1,0,0]=3 796 B13R0.1298 CSCC[C@H](NCCC(C)C)C(=O)O 269956a_100000743919_100000210312 [0,0,0,0,0,2|1,0,1]=4 797 B13R0.1298 CSCC[C@H](NCCC(C)O)C(=O)O 269956a_100000743919_100012276601 [0,0,0,0,0,2|0,0,2]=4 798 B13R0.1298 CSCC[C@H](NCCN(C)C)C(=O)O 269956a_100000743919_100000755713 [0,0,0,0,0,2|2,0,0]=4 799 B13R0.1298 CSCC[C@H](NCOC(=O)C)C(=O)N 34a_100000119342_100009813279 [0,0,0,0,0,2|1,0,0]=3 800 B13R0.1298 CSCC[C@H](NCOC(=O)C)C(=O)O 269956a_100000743919_100000076356 [0,0,0,0,0,2|0,0,0]=2 801 B13R0.1298 CSCC[C@H](NCOC(C)C)C(=O)O 269956a_100000743919_100000709892 [0,0,0,0,0,2|1,0,1]=4 802 B13R0.1298 C[Se]CC[C@H](NCC=C(C)C)C(=O)O 269956a_100020619752_100000761012 [0,0,0,0,0,2|1,1,0]=4 803 B13R0.1298 C[Se]CC[C@H](NCCC(=O)C)C(=O)O 269956a_100020619752_100000053229 [0,0,0,0,0,2|0,1,0]=3 804 B13R0.1298 C[Se]CC[C@H](NCCC(=O)N)C(=O)O 269956a_100020619752_100000744528 [0,0,0,0,0,2|1,1,0]=4 805 B13R0.1298 C[Se]CC[C@H](NCOC(=O)C)C(=O)O 269956a_100020619752_100000076356 [0,0,0,0,0,2|0,1,0]=3