0 B10R0.88 CCCCC(NCC)C(=O)N 2230a_100015525214_100000748834 [0,0,0,0,0,0|3,0,1]=4 1 B10R0.88 CCCC[C@H](NCC)C(=O)N 2230a_100000124899_100000210202 [0,0,0,0,0,0|3,0,1]=4 2 B10R0.88 CCCC[C@H](NCC)C(=O)N 34a_100000124899_100000210202 [0,0,0,0,0,0|3,0,1]=4 3 B10R0.88 CCCC[C@H](NCF)C(=O)N 34a_100000124899_100015361967 [0,0,0,0,0,0|3,0,1]=4 4 B10R0.88 CCC[C@H](NCSC)C(=O)O 269956a_100000750406_100011218213 [0,0,0,0,0,0|3,0,1]=4 5 B10R0.88 CCN[C@@H](CCSC)C(=O)N 2230a_100000119342_100000210202 [0,0,0,0,0,0|2,0,1]=3 6 B10R0.88 CCN[C@@H](CCSC)C(=O)N 34a_100000119342_100000210202 [0,0,0,0,0,0|2,0,1]=3 7 B10R0.88 CCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210202 [0,0,0,0,0,0|1,0,1]=2 8 B10R0.88 CCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000210202 [0,0,0,0,0,0|1,1,1]=3 9 B10R0.88 COC[C@@H](NCSC)C(=O)O 269956a_100011998655_100011218213 [0,0,0,0,0,0|4,0,0]=4 10 B10R0.88 CSCC[C@H](NCF)C(=O)N 34a_100000119342_100015361967 [0,0,0,0,0,0|2,0,1]=3 11 B10R0.88 CSCC[C@H](NCF)C(=O)O 269956a_100000743919_100015361967 [0,0,0,0,0,0|1,0,1]=2 12 B10R0.88 CSCN[C@@H](CSC)C(=O)O 269956a_100011421858_100011218213 [0,0,0,0,0,0|4,0,0]=4 13 B10R0.88 CSCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100011218213 [0,0,0,0,0,0|4,0,0]=4 14 B10R0.88 C[Se]CC[C@H](NCF)C(=O)O 269956a_100020619752_100015361967 [0,0,0,0,0,0|1,1,1]=3 15 B9R0.13 C=C[C@H](NCCC)C(=O)O 269956a_100016992060_100000210207 [1,0,0,0,0,0|3,0,0]=4 16 B9R0.13 C=C[C@H](NCOC)C(=O)O 269956a_100016992060_100000766300 [1,0,0,0,0,0|2,1,0]=4 17 B9R0.13 C=C[C@H](NCSC)C(=O)O 269956a_100016992060_100011218213 [1,0,0,0,0,0|2,0,0]=3 18 B9R0.13 CCCCC(NC)C(=O)N 2230a_106832991635_100000748834 [1,0,0,0,0,0|2,0,1]=4 19 B9R0.13 CCCCC(NC)C(=O)N 34a_100102657272_100000748834 [1,0,0,0,0,0|2,0,1]=4 20 B9R0.13 CCCCC(NC)C(=O)N 7a_106832991635_100000748834 [1,0,0,0,0,0|2,0,1]=4 21 B9R0.13 CCCC[C@H](NC)C(=O)N 2230a_100000124899_200000210301 [1,0,0,0,0,0|2,0,1]=4 22 B9R0.13 CCCC[C@H](NC)C(=O)N 34a_100000124899_200000210301 [1,0,0,0,0,0|2,0,1]=4 23 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 2230a_100000124899_200025704644 [1,0,0,0,0,0|2,0,1]=4 24 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 34a_100000124899_200025704644 [1,0,0,0,0,0|2,0,1]=4 25 B9R0.13 CC[C@@H](NCSC)C(=O)O 269956a_100000747097_100011218213 [1,0,0,0,0,0|2,0,1]=4 26 B9R0.13 CN[C@@H](CCSC)C(=O)N 2230a_100000119342_200000210301 [1,0,0,0,0,0|1,0,1]=3 27 B9R0.13 CN[C@@H](CCSC)C(=O)N 34a_100000119342_200000210301 [1,0,0,0,0,0|1,0,1]=3 28 B9R0.13 CN[C@@H](CCSC)C(=O)O 269956a_100000743919_200000210301 [1,0,0,0,0,0|0,0,1]=2 29 B9R0.13 CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000210301 [1,0,0,0,0,0|0,1,1]=3 30 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 2230a_100000119342_200025704644 [1,0,0,0,0,0|1,0,1]=3 31 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 34a_100000119342_200025704644 [1,0,0,0,0,0|1,0,1]=3 32 B9R0.13 CSCC[C@H](N[13CH3])C(=O)O 269956a_100000743919_200025704644 [1,0,0,0,0,0|0,0,1]=2 33 B9R0.13 CSCNC(CO)C(=O)O 269956a_100000187304_100011218213 [1,0,0,0,0,0|1,0,2]=4 34 B9R0.13 C[Se]CC[C@H](N[13CH3])C(=O)O 269956a_100020619752_200025704644 [1,0,0,0,0,0|0,1,1]=3 35 B9R0.15 CCC[C@H](NCC)C(=O)N 2230a_100000729256_100000210202 [1,0,0,0,0,0|2,0,1]=4 36 B9R0.15 CCC[C@H](NCC)C(=O)N 34a_100000729256_100000210202 [1,0,0,0,0,0|2,0,1]=4 37 B9R0.15 CCC[C@H](NCC)C(=O)O 269956a_100000750406_100000210202 [1,0,0,0,0,0|1,0,1]=3 38 B9R0.15 CCC[C@H](NCF)C(=O)N 34a_100000729256_100015361967 [1,0,0,0,0,0|2,0,1]=4 39 B9R0.15 CCC[C@H](NCF)C(=O)O 269956a_100000750406_100015361967 [1,0,0,0,0,0|1,0,1]=3 40 B9R0.15 CCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210202 [1,0,0,0,0,0|1,0,1]=3 41 B9R0.15 CCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210202 [1,0,0,0,0,0|1,1,1]=4 42 B9R0.15 CCN[C@H](COC)C(=O)O 269956a_100011998655_100000210202 [1,0,0,0,0,0|1,1,1]=4 43 B9R0.15 COC[C@@H](NCF)C(=O)O 269956a_100011998655_100015361967 [1,0,0,0,0,0|1,1,1]=4 44 B9R0.15 CSC[C@H](NCF)C(=O)O 269956a_100011421858_100015361967 [1,0,0,0,0,0|1,0,1]=3 45 B9R0.15 C[Se]C[C@H](NCF)C(=O)O 269956a_100015254316_100015361967 [1,0,0,0,0,0|1,1,1]=4 46 B9R0.40 CCN[C@H](CO)CCSC 2230a_100011827619_100000210202 [1,0,0,0,0,0|1,0,2]=4 47 B11R0.36 C#CCN[C@@H](CCSC)C(=O)N 2230a_100000119342_100000038162 [0,1,0,0,0,0|2,0,1]=4 48 B11R0.36 C#CCN[C@@H](CCSC)C(=O)N 34a_100000119342_100000184674 [0,1,0,0,0,0|2,0,1]=4 49 B11R0.36 C#CCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000184674 [0,1,0,0,0,0|1,0,1]=3 50 B11R0.36 C#CCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000184674 [0,1,0,0,0,0|1,1,1]=4 51 B11R0.36 C=CCNC(CCCC)C(=O)N 2230a_100020586998_100000748834 [0,1,0,0,0,0|3,0,0]=4 52 B11R0.36 C=CCN[C@@H](CCCC)C(=O)N 2230a_100000124899_100000210623 [0,1,0,0,0,0|3,0,0]=4 53 B11R0.36 C=CCN[C@@H](CCCC)C(=O)N 34a_100000124899_100015514636 [0,1,0,0,0,0|3,0,0]=4 54 B11R0.36 C=CCN[C@@H](CCSC)C(=O)N 2230a_100000119342_100000210623 [0,1,0,0,0,0|2,0,0]=3 55 B11R0.36 C=CCN[C@@H](CCSC)C(=O)N 34a_100000119342_100015514636 [0,1,0,0,0,0|2,0,0]=3 56 B11R0.36 C=CCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210623 [0,1,0,0,0,0|1,0,0]=2 57 B11R0.36 C=CCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000210623 [0,1,0,0,0,0|1,1,0]=3 58 B11R0.36 CCCCC(SCC=O)C(=O)N 62a_100000748834_200015260668 [0,1,0,0,0,0|3,0,0]=4 59 B11R0.36 CCCCC(SCC=O)C(=O)N 62a_200015260668_100000748834 [0,1,0,0,0,0|3,0,0]=4 60 B11R0.36 CCCC[C@H](NCC=O)C(=O)N 2230a_100000124899_200015260668 [0,1,0,0,0,0|2,0,0]=3 61 B11R0.36 CCCC[C@H](NCC=O)C(=O)N 34a_100000124899_200009817547 [0,1,0,0,0,0|2,0,0]=3 62 B11R0.36 CCCN[C@@H](CCSC)C(=O)N 2230a_100000119342_100000210303 [0,1,0,0,0,0|2,0,1]=4 63 B11R0.36 CCCN[C@@H](CCSC)C(=O)N 34a_100000119342_100000210303 [0,1,0,0,0,0|2,0,1]=4 64 B11R0.36 CCCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210207 [0,1,0,0,0,0|1,0,1]=3 65 B11R0.36 CCCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000210207 [0,1,0,0,0,0|1,1,1]=4 66 B11R0.36 COCN[C@@H](CCSC)C(=O)N 2230a_100000119342_100000766300 [0,1,0,0,0,0|1,0,2]=4 67 B11R0.36 COCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000766300 [0,1,0,0,0,0|0,0,2]=3 68 B11R0.36 COCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000766300 [0,1,0,0,0,0|0,1,2]=4 69 B11R0.36 CSCC[C@H](NCC#N)C(=O)N 2230a_100000119342_100011215382 [0,1,0,0,0,0|2,0,1]=4 70 B11R0.36 CSCC[C@H](NCC#N)C(=O)O 269956a_100000743919_100011215382 [0,1,0,0,0,0|1,0,1]=3 71 B11R0.36 CSCC[C@H](NCC=O)C(=O)N 2230a_100000119342_200015260668 [0,1,0,0,0,0|1,0,0]=2 72 B11R0.36 CSCC[C@H](NCC=O)C(=O)N 34a_100000119342_200009817547 [0,1,0,0,0,0|1,0,0]=2 73 B11R0.36 CSCC[C@H](NCC=O)C(=O)O 269956a_100000743919_200015260668 [0,1,0,0,0,0|0,0,0]=1 74 B11R0.36 CSCC[C@H](NCCF)C(=O)N 2230a_100000119342_100011217306 [0,1,0,0,0,0|2,0,1]=4 75 B11R0.36 CSCC[C@H](NCCF)C(=O)N 34a_100000119342_100011217306 [0,1,0,0,0,0|2,0,1]=4 76 B11R0.36 CSCC[C@H](NCCF)C(=O)O 269956a_100000743919_100011217306 [0,1,0,0,0,0|1,0,1]=3 77 B11R0.36 CSCC[C@H](NCCO)C(=O)N 2230a_100000119342_100000211926 [0,1,0,0,0,0|1,0,2]=4 78 B11R0.36 CSCC[C@H](NCCO)C(=O)N 34a_100000119342_100000211926 [0,1,0,0,0,0|1,0,2]=4 79 B11R0.36 CSCC[C@H](NCCO)C(=O)O 269956a_100000743919_100000211926 [0,1,0,0,0,0|0,0,2]=3 80 B11R0.36 CSCC[C@H](NCSC)C(=O)N 2230a_100000119342_100011218213 [0,1,0,0,0,0|1,1,1]=4 81 B11R0.36 CSCC[C@H](NCSC)C(=O)N 34a_100000119342_100011218213 [0,1,0,0,0,0|1,1,1]=4 82 B11R0.36 CSCC[C@H](NCSC)C(=O)O 269956a_100000743919_100011218213 [0,1,0,0,0,0|0,1,1]=3 83 B11R0.36 CSCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100011218213 [0,1,0,0,0,0|0,2,1]=4 84 B11R0.36 C[Se]CC[C@H](NCC#N)C(=O)O 269956a_100020619752_100011215382 [0,1,0,0,0,0|1,1,1]=4 85 B11R0.36 C[Se]CC[C@H](NCC=O)C(=O)O 269956a_100020619752_200015260668 [0,1,0,0,0,0|0,1,0]=2 86 B11R0.36 C[Se]CC[C@H](NCCF)C(=O)O 269956a_100020619752_100011217306 [0,1,0,0,0,0|1,1,1]=4 87 B11R0.36 C[Se]CC[C@H](NCCO)C(=O)O 269956a_100020619752_100000211926 [0,1,0,0,0,0|0,1,2]=4 88 B11R0.38 CCCCC(NCC)C(=O)OC 2230a_100015525214_100000750740 [0,1,0,0,0,0|2,0,1]=4 89 B11R0.78 CCC[C@H](NCCSC)C(=O)O 269956a_100000750406_100000212216 [0,1,0,0,0,0|2,0,1]=4 90 B11R0.78 COC[C@@H](NCCSC)C(=O)O 269956a_100011998655_100000212216 [0,1,0,0,0,0|3,0,0]=4 91 B11R0.78 CSCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000212216 [0,1,0,0,0,0|3,0,0]=4 92 B11R0.78 CSCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000212216 [0,1,0,0,0,0|3,0,0]=4 93 B11R0.146 CCNC(CC[S+](C)C)C(=O)O 269956a_100000210779_100000210202 [0,1,0,0,0,0|1,0,2]=4 94 B11R0.146 CCN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100000210202 [0,1,0,0,0,0|1,0,2]=4 95 B11R0.146 CS(=O)CC[C@H](NCF)C(=O)O 269956a_100015235763_100015361967 [0,1,0,0,0,0|1,0,2]=4 96 B11R0.146 C[S+](C)CCC(NCF)C(=O)O 269956a_100000210779_100015361967 [0,1,0,0,0,0|1,0,2]=4 97 B11R0.160 CCCCC(NC(=O)C)C(=O)C 1458a_100000194794_200000210301 [0,1,0,0,0,0|2,0,0]=3 98 B11R0.160 CCCCC(NC(=O)C)C(=O)[13CH3] 1458a_100000194794_200025704644 [0,1,0,0,0,0|2,0,0]=3 99 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)N 11a_100000124899_100015343762 [0,1,0,0,0,0|2,0,0]=3 100 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)N 1626a_100000124899_100015343762 [0,1,0,0,0,0|2,0,0]=3 101 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)N 240690a_100000124899_100015343762 [0,1,0,0,0,0|2,0,0]=3 102 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)N 527a_100000124899_100103153847 [0,1,0,0,0,0|2,0,0]=3 103 B11R0.160 CSCCC(NC(=O)N)C(=O)C 1458a_100000182937_200000210301 [0,1,0,0,0,0|1,0,0]=2 104 B11R0.160 CSCCC(NC(=O)N)C(=O)[13CH3] 1458a_100000182937_200025704644 [0,1,0,0,0,0|1,0,0]=2 105 B11R0.160 CSCC[C@@H](NC(=O)C)C(=O)C 1458a_100011933958_200000210301 [0,1,0,0,0,0|1,0,0]=2 106 B11R0.160 CSCC[C@@H](NC(=O)C)C(=O)[13CH3] 1458a_100011933958_200025704644 [0,1,0,0,0,0|1,0,0]=2 107 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)N 11a_100000119342_100015343762 [0,1,0,0,0,0|1,0,0]=2 108 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)N 1626a_100000119342_100015343762 [0,1,0,0,0,0|1,0,0]=2 109 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)N 240690a_100000119342_100015343762 [0,1,0,0,0,0|1,0,0]=2 110 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)N 527a_100000119342_100103153847 [0,1,0,0,0,0|1,0,0]=2 111 B11R0.160 CSCC[C@H](NC(C)C)C(=O)N 2230a_100000119342_100000210206 [0,1,0,0,0,0|2,0,1]=4 112 B11R0.160 CSCC[C@H](NC(C)C)C(=O)N 34a_100000119342_100000210206 [0,1,0,0,0,0|2,0,1]=4 113 B11R0.160 CSCC[C@H](NC(C)C)C(=O)O 269956a_100000743919_100000210206 [0,1,0,0,0,0|1,0,1]=3 114 B11R0.160 CSCN[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_100011218213 [0,1,0,0,0,0|3,0,0]=4 115 B11R0.160 CSCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100011218213 [0,1,0,0,0,0|3,0,0]=4 116 B11R0.160 C[Se]CC[C@H](NC(C)C)C(=O)O 269956a_100020619752_100000210206 [0,1,0,0,0,0|1,1,1]=4 117 B11R1.21 CC(=O)C1CCN(C(=O)C1)C 1458a_100000043916_200000210301 [0,0,0,1,0,0|3,0,0]=4 118 B11R1.21 CN1CCC(CC1=O)C(=O)[13CH3] 1458a_100000043916_200025704644 [0,0,0,1,0,0|3,0,0]=4 119 B11R1.53 CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210202 [0,0,0,1,0,0|2,0,1]=4 120 B11R1.53 CCN1CSCCC1C(=O)O 269956a_100015185162_100000210202 [0,0,0,1,0,0|1,0,1]=3 121 B11R1.53 O=C(O)C1CCSCN1CF 269956a_100015185162_100015361967 [0,0,0,1,0,0|1,0,1]=3 122 B11R1.53 O=C(O)[C@H]1CCCCN1CF 269956a_100000763471_100015361967 [0,0,0,1,0,0|2,0,1]=4 123 B11R1.193 CSCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100011218213 [0,0,0,1,0,0|3,0,0]=4 124 B11R1.230 CSCNC1CC(=O)NC1=O 2230a_100102712934_100011218213 [0,0,0,1,0,0|3,0,0]=4 125 B11R1.760 CCNC(C(=O)O)C1CCC1 269956a_100000765838_100000210202 [0,0,0,1,0,0|2,0,1]=4 126 B11R1.760 O=C(O)C(NCF)C1CCC1 269956a_100000765838_100015361967 [0,0,0,1,0,0|2,0,1]=4 127 B11R1.1239 CCNC1(CCCC1)C(=O)O 269956a_100000739329_100000210202 [0,0,0,1,0,0|2,0,1]=4 128 B11R1.1239 O=C(O)C1(CCCC1)NCF 269956a_100000739329_100015361967 [0,0,0,1,0,0|2,0,1]=4 129 B11R0.47 C=CCN(CCSC)CC(=O)O 269956a_100000744315_100000212216 [0,0,0,0,0,1|3,0,0]=4 130 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [2,0,0,0,0,0|1,0,1]=4 131 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [2,0,0,0,0,0|1,0,1]=4 132 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [2,0,0,0,0,0|1,0,1]=4 133 B8R0.11 CCCOC(C=O)C=O 34a_100000210258_100000736813 [2,0,0,0,0,0|2,0,0]=4 134 B8R0.11 CCCSC(C=O)C=O 62a_100000210303_100000736813 [2,0,0,0,0,0|2,0,0]=4 135 B8R0.11 CCCSC(C=O)C=O 62a_100000736813_100000210303 [2,0,0,0,0,0|2,0,0]=4 136 B8R0.11 CN[C@H](CO)CCSC 2230a_100011827619_200000210301 [2,0,0,0,0,0|0,0,2]=4 137 B8R0.11 COCSC(C=O)C=O 62a_100000736813_100000766300 [2,0,0,0,0,0|1,1,0]=4 138 B8R0.11 COCSC(C=O)C=O 62a_100000766300_100000736813 [2,0,0,0,0,0|1,1,0]=4 139 B8R0.11 CSCC[C@@H](CO)N[13CH3] 2230a_100011827619_200025704644 [2,0,0,0,0,0|0,0,2]=4 140 B8R0.11 CSCSC(C=O)C=O 62a_100000736813_100011218213 [2,0,0,0,0,0|1,0,0]=3 141 B8R0.11 CSCSC(C=O)C=O 62a_100011218213_100000736813 [2,0,0,0,0,0|1,0,0]=3 142 B8R0.15 C=C[C@H](NCC)C(=O)O 269956a_100016992060_100000210202 [2,0,0,0,0,0|2,0,0]=4 143 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [2,0,0,0,0,0|1,0,1]=4 144 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [2,0,0,0,0,0|1,0,1]=4 145 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [2,0,0,0,0,0|0,0,1]=3 146 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [2,0,0,0,0,0|1,0,1]=4 147 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [2,0,0,0,0,0|1,0,1]=4 148 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [2,0,0,0,0,0|0,0,1]=3 149 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [2,0,0,0,0,0|1,0,1]=4 150 B8R0.15 CC[C@@H](NCF)C(=O)O 269956a_100000747097_100015361967 [2,0,0,0,0,0|1,0,1]=4 151 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [2,0,0,0,0,0|0,0,1]=3 152 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [2,0,0,0,0,0|0,1,1]=4 153 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [2,0,0,0,0,0|0,1,1]=4 154 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [2,0,0,0,0,0|0,1,1]=4 155 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [2,0,0,0,0,0|0,0,1]=3 156 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [2,0,0,0,0,0|0,1,1]=4 157 B10R0.17 CCCCC(C(=O)C)C(=O)N 1458a_100000070787_100000748834 [1,1,0,0,0,0|2,0,0]=4 158 B10R0.17 CSCNC(C(=O)N)C(=O)N 2230a_100000025885_100011218213 [1,1,0,0,0,0|2,0,0]=4 159 B10R0.17 CSCSC(C(=O)C)C(=O)C 62a_100000210371_100011218213 [1,1,0,0,0,0|2,0,0]=4 160 B10R0.17 CSCSC(C(=O)C)C(=O)C 62a_100011218213_100000210371 [1,1,0,0,0,0|2,0,0]=4 161 B10R0.84 CNC(CC[S+](C)C)C(=O)O 269956a_100000210779_200000210301 [1,1,0,0,0,0|0,0,2]=4 162 B10R0.84 CN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_200000210301 [1,1,0,0,0,0|0,0,2]=4 163 B10R0.84 CS(=O)CC[C@H](N[13CH3])C(=O)O 269956a_100015235763_200025704644 [1,1,0,0,0,0|0,0,2]=4 164 B10R0.84 C[S+](C)CCC(N[13CH3])C(=O)O 269956a_100000210779_200025704644 [1,1,0,0,0,0|0,0,2]=4 165 B10R0.85 CCCCC(NC)C(=O)OC 2230a_106832991635_100000750740 [1,1,0,0,0,0|1,0,1]=4 166 B10R0.85 CCCCC(NC)C(=O)OC 34a_100102657272_100000750740 [1,1,0,0,0,0|1,0,1]=4 167 B10R0.85 CCCCC(NC)C(=O)OC 7a_106832991635_100000750740 [1,1,0,0,0,0|1,0,1]=4 168 B10R0.85 CCCOC(C=O)C(=O)OC 34a_100000210258_100000046368 [1,1,0,0,0,0|2,0,0]=4 169 B10R0.85 CCCSC(C=O)C(=O)OC 62a_100000046368_100000210303 [1,1,0,0,0,0|2,0,0]=4 170 B10R0.85 CCCSC(C=O)C(=O)OC 62a_100000210303_100000046368 [1,1,0,0,0,0|2,0,0]=4 171 B10R0.85 COC(=O)C(C=O)SCSC 62a_100000046368_100011218213 [1,1,0,0,0,0|1,0,0]=3 172 B10R0.85 COC(=O)C(C=O)SCSC 62a_100011218213_100000046368 [1,1,0,0,0,0|1,0,0]=3 173 B10R0.85 COCSC(C=O)C(=O)OC 62a_100000046368_100000766300 [1,1,0,0,0,0|1,1,0]=4 174 B10R0.85 COCSC(C=O)C(=O)OC 62a_100000766300_100000046368 [1,1,0,0,0,0|1,1,0]=4 175 B10R0.86 C=C[C@H](NCCCC)C(=O)O 269956a_100016992060_100000210211 [1,1,0,0,0,0|2,0,0]=4 176 B10R0.86 C=C[C@H](NCCOC)C(=O)O 269956a_100016992060_100000233755 [1,1,0,0,0,0|1,1,0]=4 177 B10R0.86 C=C[C@H](NCCSC)C(=O)O 269956a_100016992060_100000212216 [1,1,0,0,0,0|1,0,0]=3 178 B10R0.86 CC[C@@H](NCCSC)C(=O)O 269956a_100000747097_100000212216 [1,1,0,0,0,0|1,0,1]=4 179 B10R0.86 CSCCNC(CO)C(=O)O 269956a_100000187304_100000212216 [1,1,0,0,0,0|0,0,2]=4 180 B10R0.23 CCC[C@H](NC(=O)C)C(=O)C 1458a_100011995990_200000210301 [1,1,0,0,0,0|1,0,0]=3 181 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 11a_100000729256_100015343762 [1,1,0,0,0,0|1,0,0]=3 182 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 1626a_100000729256_100015343762 [1,1,0,0,0,0|1,0,0]=3 183 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 240690a_100000729256_100015343762 [1,1,0,0,0,0|1,0,0]=3 184 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 527a_100000729256_100103153847 [1,1,0,0,0,0|1,0,0]=3 185 B10R0.23 CCC[C@H](NC(=O)C)C(=O)[13CH3] 1458a_100011995990_200025704644 [1,1,0,0,0,0|1,0,0]=3 186 B10R0.23 CCC[C@H](NC(C)C)C(=O)O 269956a_100000750406_100000210206 [1,1,0,0,0,0|1,0,1]=4 187 B10R0.23 COCC(NC(=O)C)C(=O)C 1458a_200012277492_200000210301 [1,1,0,0,0,0|1,1,0]=4 188 B10R0.23 COCC(NC(=O)C)C(=O)[13CH3] 1458a_200012277492_200025704644 [1,1,0,0,0,0|1,1,0]=4 189 B10R0.23 CSC[C@H](NC(C)C)C(=O)O 269956a_100011421858_100000210206 [1,1,0,0,0,0|1,0,1]=4 190 B10R0.30 CCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000210202 [1,1,0,0,0,0|1,0,1]=4 191 B10R0.30 CC[C@H](C)[C@@H](NCF)C(=O)O 269956a_100009815163_100015361967 [1,1,0,0,0,0|1,0,1]=4 192 B10R0.73 CCCC(NCC)C(=O)OC 2230a_100015525214_200009843822 [1,1,0,0,0,0|1,0,1]=4 193 B10R0.16 C=CCN[C@H](CO)CCSC 2230a_100011827619_100000210623 [1,1,0,0,0,0|1,0,1]=4 194 B10R0.16 CCCC[C@@H](CO)NCC=O 2230a_100011934283_200015260668 [1,1,0,0,0,0|1,0,1]=4 195 B10R0.16 CCCC[C@@H](CO)NCC=O 34a_100011934283_200009817547 [1,1,0,0,0,0|1,0,1]=4 196 B10R0.16 CSCC[C@@H](CO)NCC=O 2230a_100011827619_200015260668 [1,1,0,0,0,0|0,0,1]=3 197 B10R0.87 CCCC[C@@H](CO)NC(=O)C 240690a_100011934283_100015343762 [1,1,0,0,0,0|1,0,1]=4 198 B10R0.87 CCCC[C@@H](CO)NC(=O)C 527a_100011934283_100103153847 [1,1,0,0,0,0|1,0,1]=4 199 B10R0.87 CSCC[C@@H](CO)NC(=O)C 240690a_100011827619_100015343762 [1,1,0,0,0,0|0,0,1]=3 200 B10R0.87 CSCC[C@@H](CO)NC(=O)C 527a_100011827619_100103153847 [1,1,0,0,0,0|0,0,1]=3 201 B12R0.55 C=C(C)CN[C@@H](CCSC)C(=O)N 2230a_100000119342_100000748629 [0,2,0,0,0,0|2,0,0]=4 202 B12R0.55 C=C(C)CN[C@@H](CCSC)C(=O)N 34a_100000119342_100000748629 [0,2,0,0,0,0|2,0,0]=4 203 B12R0.55 C=C(C)CN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000748629 [0,2,0,0,0,0|1,0,0]=3 204 B12R0.55 C=C(C)CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000748629 [0,2,0,0,0,0|1,1,0]=4 205 B12R0.55 C=C(F)CN[C@@H](CCSC)C(=O)N 2230a_100000119342_100009893438 [0,2,0,0,0,0|2,0,0]=4 206 B12R0.55 C=C(F)CN[C@@H](CCSC)C(=O)N 34a_100000119342_100009893438 [0,2,0,0,0,0|2,0,0]=4 207 B12R0.55 C=C(F)CN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000042424 [0,2,0,0,0,0|1,0,0]=3 208 B12R0.55 C=C(F)CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000042424 [0,2,0,0,0,0|1,1,0]=4 209 B12R0.55 C=CCNC(CC[S+](C)C)C(=O)O 269956a_100000210779_100000210623 [0,2,0,0,0,0|1,0,1]=4 210 B12R0.55 C=CCN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100000210623 [0,2,0,0,0,0|1,0,1]=4 211 B12R0.55 CC(=CCC(NCC=O)C(=O)O)C 269956a_100102631519_200015260668 [0,2,0,0,0,0|1,0,1]=4 212 B12R0.55 CCCCC(NCC(=O)N)C(=O)N 2230a_100000711301_100000748834 [0,2,0,0,0,0|2,0,0]=4 213 B12R0.55 CCCCC(NCC(=O)O)C(=O)N 269956a_100016091260_100000748834 [0,2,0,0,0,0|2,0,0]=4 214 B12R0.55 CCCC[C@H](NCC(=O)N)C(=O)N 2230a_100000124899_100000747473 [0,2,0,0,0,0|2,0,0]=4 215 B12R0.55 CCCC[C@H](NCC(=O)N)C(=O)N 34a_100000124899_100000187820 [0,2,0,0,0,0|2,0,0]=4 216 B12R0.55 CCCC[C@H](NCC(=O)[O-])C(=O)N 34a_100000124899_100020667443 [0,2,0,0,0,0|2,0,0]=4 217 B12R0.55 CS(=O)CC[C@H](NCC=O)C(=O)O 269956a_100015235763_200015260668 [0,2,0,0,0,0|0,0,1]=3 218 B12R0.55 CSCC[C@H](NCC(=O)N)C(=O)N 2230a_100000119342_100000747473 [0,2,0,0,0,0|1,0,0]=3 219 B12R0.55 CSCC[C@H](NCC(=O)N)C(=O)N 34a_100000119342_100000187820 [0,2,0,0,0,0|1,0,0]=3 220 B12R0.55 CSCC[C@H](NCC(=O)N)C(=O)O 269956a_100000743919_100000187820 [0,2,0,0,0,0|0,0,0]=2 221 B12R0.55 CSCC[C@H](NCC(=O)[O-])C(=O)N 34a_100000119342_100020667443 [0,2,0,0,0,0|1,0,0]=3 222 B12R0.55 CSCC[C@H](NCC(=O)[O-])C(=O)O 269956a_100000743919_100020667443 [0,2,0,0,0,0|0,0,0]=2 223 B12R0.55 CSCC[C@H](NCC(C)C)C(=O)O 269956a_100000743919_100000210760 [0,2,0,0,0,0|1,0,1]=4 224 B12R0.55 CSCC[C@H](NCC(C)O)C(=O)O 269956a_100000743919_100011218427 [0,2,0,0,0,0|0,0,2]=4 225 B12R0.55 CSCC[C@H](NCC(F)F)C(=O)O 269956a_100000743919_100011934356 [0,2,0,0,0,0|1,0,1]=4 226 B12R0.55 CSCC[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743919_100009817552 [0,2,0,0,0,0|0,0,2]=4 227 B12R0.55 CSCC[C@H](NC[N+](=O)[O-])C(=O)N 34a_100000119342_100000761209 [0,2,0,0,0,0|1,0,1]=4 228 B12R0.55 CSCC[C@H](NC[N+](=O)[O-])C(=O)O 269956a_100000743919_100000761209 [0,2,0,0,0,0|0,0,1]=3 229 B12R0.55 C[S+](C)CCC(NCC=O)C(=O)O 269956a_100000210779_200015260668 [0,2,0,0,0,0|0,0,1]=3 230 B12R0.55 C[Se]CC[C@H](NCC(=O)N)C(=O)O 269956a_100020619752_100000187820 [0,2,0,0,0,0|0,1,0]=3 231 B12R0.55 C[Se]CC[C@H](NCC(=O)[O-])C(=O)O 269956a_100020619752_100020667443 [0,2,0,0,0,0|0,1,0]=3 232 B12R0.55 C[Se]CC[C@H](NC[N+](=O)[O-])C(=O)O 269956a_100020619752_100000761209 [0,2,0,0,0,0|0,1,1]=4 233 B12R0.129 C#CC(C)N[C@@H](CCSC)C(=O)O 269956a_100000743919_200000035995 [0,2,0,0,0,0|1,0,1]=4 234 B12R0.129 C=CC(=O)N[C@@H](CCCC)C(=O)N 1626a_100000124899_100000185746 [0,2,0,0,0,0|2,0,0]=4 235 B12R0.129 C=CC(=O)N[C@@H](CCCC)C(=O)N 240690a_100000124899_200121576911 [0,2,0,0,0,0|2,0,0]=4 236 B12R0.129 C=CC(=O)N[C@@H](CCSC)C(=O)N 1626a_100000119342_100000185746 [0,2,0,0,0,0|1,0,0]=3 237 B12R0.129 C=CC(=O)N[C@@H](CCSC)C(=O)N 240690a_100000119342_200121576911 [0,2,0,0,0,0|1,0,0]=3 238 B12R0.129 C=CC(C)N[C@@H](CCSC)C(=O)O 269956a_100000743919_100011215867 [0,2,0,0,0,0|1,0,0]=3 239 B12R0.129 C=CC(C)N[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100011215867 [0,2,0,0,0,0|1,1,0]=4 240 B12R0.129 CCC(=O)NC(CCSC)C(=O)C 1458a_100000194488_200000210301 [0,2,0,0,0,0|1,0,0]=3 241 B12R0.129 CCC(=O)NC(CCSC)C(=O)[13CH3] 1458a_100000194488_200025704644 [0,2,0,0,0,0|1,0,0]=3 242 B12R0.129 CCC(=O)N[C@@H](CCSC)C(=O)N 11a_100000119342_100000210414 [0,2,0,0,0,0|1,0,0]=3 243 B12R0.129 CCC(=O)N[C@@H](CCSC)C(=O)N 1626a_100000119342_100000210414 [0,2,0,0,0,0|1,0,0]=3 244 B12R0.129 CCC(=O)N[C@@H](CCSC)C(=O)N 240690a_100000119342_100000210414 [0,2,0,0,0,0|1,0,0]=3 245 B12R0.129 CCC(=O)N[C@@H](CCSC)C(=O)N 527a_100000119342_100000210414 [0,2,0,0,0,0|1,0,0]=3 246 B12R0.129 CCC(C)N[C@@H](CCSC)C(=O)O 269956a_100000743919_100000758301 [0,2,0,0,0,0|1,0,1]=4 247 B12R0.129 CCCC[C@H](NC(=O)CC)C(=O)N 11a_100000124899_100000210414 [0,2,0,0,0,0|2,0,0]=4 248 B12R0.129 CCCC[C@H](NC(=O)CC)C(=O)N 1626a_100000124899_100000210414 [0,2,0,0,0,0|2,0,0]=4 249 B12R0.129 CCCC[C@H](NC(=O)CC)C(=O)N 240690a_100000124899_100000210414 [0,2,0,0,0,0|2,0,0]=4 250 B12R0.129 CCCC[C@H](NC(=O)CC)C(=O)N 527a_100000124899_100000210414 [0,2,0,0,0,0|2,0,0]=4 251 B12R0.129 CCCC[C@H](NC(=O)CO)C(=O)N 240690a_100000124899_100000210174 [0,2,0,0,0,0|2,0,0]=4 252 B12R0.129 CCCC[C@H](NC(=O)CO)C(=O)N 527a_100000124899_100000210174 [0,2,0,0,0,0|2,0,0]=4 253 B12R0.129 CCCC[C@H](NC(=O)NC)C(=O)N 2708a_100102657272_100000124899 [0,2,0,0,0,0|2,0,0]=4 254 B12R0.129 CCCC[C@H](NC(=O)NC)C(=O)N 273464a_100000124899_100102657272 [0,2,0,0,0,0|2,0,0]=4 255 B12R0.129 CCCC[C@H](NC(=O)NC)C(=O)N 273464a_100102657272_100000124899 [0,2,0,0,0,0|2,0,0]=4 256 B12R0.129 CCCC[C@H](NC(=O)NC)C(=O)N 512a_100000124899_100102657272 [0,2,0,0,0,0|2,0,0]=4 257 B12R0.129 CCCC[C@H](NC(=O)NC)C(=O)N 512a_106832991638_100000124899 [0,2,0,0,0,0|2,0,0]=4 258 B12R0.129 CNC(=O)N[C@@H](CCSC)C(=O)N 2708a_100102657272_100000119342 [0,2,0,0,0,0|1,0,0]=3 259 B12R0.129 CNC(=O)N[C@@H](CCSC)C(=O)N 273464a_100000119342_100102657272 [0,2,0,0,0,0|1,0,0]=3 260 B12R0.129 CNC(=O)N[C@@H](CCSC)C(=O)N 273464a_100102657272_100000119342 [0,2,0,0,0,0|1,0,0]=3 261 B12R0.129 CNC(=O)N[C@@H](CCSC)C(=O)N 512a_100000119342_100102657272 [0,2,0,0,0,0|1,0,0]=3 262 B12R0.129 CNC(=O)N[C@@H](CCSC)C(=O)N 512a_106832991638_100000119342 [0,2,0,0,0,0|1,0,0]=3 263 B12R0.129 COC(C)N[C@@H](CCSC)C(=O)O 269956a_100000743919_100009879195 [0,2,0,0,0,0|0,0,2]=4 264 B12R0.129 CSCC[C@H](NC(=O)CO)C(=O)N 240690a_100000119342_100000210174 [0,2,0,0,0,0|1,0,0]=3 265 B12R0.129 CSCC[C@H](NC(=O)CO)C(=O)N 527a_100000119342_100000210174 [0,2,0,0,0,0|1,0,0]=3 266 B12R0.129 CSCC[C@H](NC(C)C#N)C(=O)O 269956a_100000743919_100000184139 [0,2,0,0,0,0|1,0,1]=4 267 B12R0.129 CSCC[C@H](N[C@H](C)CO)C(=O)O 269956a_100000743919_100016084084 [0,2,0,0,0,0|0,0,2]=4 268 B12R0.244 C#CCCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000688953 [0,2,0,0,0,0|1,0,1]=4 269 B12R0.244 C/C=C/CN[C@@H](CCSC)C(=O)N 34a_100000119342_100102629194 [0,2,0,0,0,0|2,0,0]=4 270 B12R0.244 C/C=C/CN[C@@H](CCSC)C(=O)O 269956a_100000743919_100102629194 [0,2,0,0,0,0|1,0,0]=3 271 B12R0.244 C/C=C/CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100102629194 [0,2,0,0,0,0|1,1,0]=4 272 B12R0.244 C=CCCN[C@@H](CCSC)C(=O)N 2230a_100000119342_100000754431 [0,2,0,0,0,0|2,0,0]=4 273 B12R0.244 C=CCCN[C@@H](CCSC)C(=O)N 34a_100000119342_100000754431 [0,2,0,0,0,0|2,0,0]=4 274 B12R0.244 C=CCCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000754431 [0,2,0,0,0,0|1,0,0]=3 275 B12R0.244 C=CCCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000754431 [0,2,0,0,0,0|1,1,0]=4 276 B12R0.244 CC#CCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000748600 [0,2,0,0,0,0|1,0,1]=4 277 B12R0.244 CC=CCN[C@@H](CCSC)C(=O)N 2230a_100000119342_100000070051 [0,2,0,0,0,0|2,0,0]=4 278 B12R0.244 CC=CCN[C@@H](CCSC)C(=O)N 34a_100000119342_100000070051 [0,2,0,0,0,0|2,0,0]=4 279 B12R0.244 CCCCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210211 [0,2,0,0,0,0|1,0,1]=4 280 B12R0.244 CCOCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000739092 [0,2,0,0,0,0|0,0,2]=4 281 B12R0.244 COCCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000233755 [0,2,0,0,0,0|0,0,2]=4 282 B12R0.244 CSCCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000212216 [0,2,0,0,0,0|0,1,1]=4 283 B12R0.244 CSCC[C@H](NCCC#N)C(=O)O 269956a_100000743919_100011215226 [0,2,0,0,0,0|1,0,1]=4 284 B12R0.244 CSCC[C@H](NCCCF)C(=O)O 269956a_100000743919_100011934791 [0,2,0,0,0,0|1,0,1]=4 285 B12R0.244 CSCC[C@H](NCCCO)C(=O)O 269956a_100000743919_100011215043 [0,2,0,0,0,0|0,0,2]=4 286 B12R0.244 CSCC[C@H](NCSC#N)C(=O)O 269956a_100000743919_100000211825 [0,2,0,0,0,0|0,1,1]=4 287 B12R0.250 C=CCNC(CCCC)C(=O)OC 2230a_100020586998_100000750740 [0,2,0,0,0,0|2,0,0]=4 288 B12R0.250 CCCCC(SCC=O)C(=O)OC 62a_100000750740_200015260668 [0,2,0,0,0,0|2,0,0]=4 289 B12R0.250 CCCCC(SCC=O)C(=O)OC 62a_200015260668_100000750740 [0,2,0,0,0,0|2,0,0]=4 290 B12R0.120 CSCCN[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_100000751147 [0,2,0,0,0,0|2,0,0]=4 291 B12R0.120 CSCCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000212216 [0,2,0,0,0,0|2,0,0]=4 292 B12R0.138 CC(=O)N[C@@H](CCS(=O)C)C(=O)C 1458a_200020641884_200000210301 [0,2,0,0,0,0|1,0,1]=4 293 B12R0.138 CC(=O)N[C@@H](CCS(=O)C)C(=O)[13CH3] 1458a_200020641884_200025704644 [0,2,0,0,0,0|1,0,1]=4 294 B12R0.288 CSCC[C@H](NC(C)(C)C)C(=O)O 269956a_100000743919_100000211941 [0,2,0,0,0,0|1,0,1]=4 295 B12R0.288 CSCC[C@H](NC(F)(F)F)C(=O)O 269956a_100000743919_200000243211 [0,2,0,0,0,0|1,0,1]=4 296 B12R0.288 CSCC[C@H](NS(=O)(=O)C)C(=O)N 40a_100000119342_100000738038 [0,2,0,0,0,0|2,0,0]=4 297 B10R1.31 CN[C@@H]1C=C[C@@H](C1)C(=O)O 269956a_100016988855_200000210301 [1,0,0,1,0,0|2,0,0]=4 298 B10R1.31 [13CH3]N[C@@H]1C=C[C@@H](C1)C(=O)O 269956a_100016988855_200025704644 [1,0,0,1,0,0|2,0,0]=4 299 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [1,0,0,1,0,0|2,0,0]=4 300 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [1,0,0,1,0,0|1,0,1]=4 301 B10R1.61 CN1CSCCC1C(=O)O 269956a_100015185162_200000210301 [1,0,0,1,0,0|0,0,1]=3 302 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [1,0,0,1,0,0|1,0,1]=4 303 B10R1.61 [13CH3]N1CSCCC1C(=O)O 269956a_100015185162_200025704644 [1,0,0,1,0,0|0,0,1]=3 304 B10R1.194 CC(=O)C1CCN(C1=O)C 1458a_100000070787_100000755940 [1,0,0,1,0,0|2,0,0]=4 305 B10R1.194 CC(=O)C1CCN(C1=O)C 1458a_100000137746_200000210301 [1,0,0,1,0,0|2,0,0]=4 306 B10R1.194 CN1CCC(C1=O)C(=O)[13CH3] 1458a_100000137746_200025704644 [1,0,0,1,0,0|2,0,0]=4 307 B10R1.219 CNC(C(=O)O)C1CCC1 269956a_100000765838_200000210301 [1,0,0,1,0,0|1,0,1]=4 308 B10R1.219 [13CH3]NC(C(=O)O)C1CCC1 269956a_100000765838_200025704644 [1,0,0,1,0,0|1,0,1]=4 309 B10R1.477 CNC1(CCCC1)C(=O)O 269956a_100000739329_200000210301 [1,0,0,1,0,0|1,0,1]=4 310 B10R1.477 [13CH3]NC1(CCCC1)C(=O)O 269956a_100000739329_200025704644 [1,0,0,1,0,0|1,0,1]=4 311 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [1,0,0,1,0,0|1,0,1]=4 312 B10R1.39 CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210202 [1,0,0,1,0,0|1,0,1]=4 313 B10R1.39 O=C(O)[C@@H]1CCCN1CF 269956a_100000743916_100015361967 [1,0,0,1,0,0|1,0,1]=4 314 B10R1.39 O=C(O)[C@@H]1CSCN1CF 269956a_100000743924_100015361967 [1,0,0,1,0,0|1,0,1]=4 315 B10R1.113 CC(=O)C1CSCC(=O)N1 1458a_100000045068_200000210301 [1,0,0,1,0,0|1,0,0]=3 316 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [1,0,0,1,0,0|1,0,0]=3 317 B10R1.113 [13CH3]C(=O)C1CSCC(=O)N1 1458a_100000045068_200025704644 [1,0,0,1,0,0|1,0,0]=3 318 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [1,0,0,1,0,0|1,0,0]=3 319 B10R1.130 CCNC1CC(OC1=O)C 2230a_100015525214_200000216747 [1,0,0,1,0,0|1,0,1]=4 320 B10R1.381 CCNC1(CCC1)C(=O)O 269956a_100000688724_100000210202 [1,0,0,1,0,0|1,0,1]=4 321 B10R1.381 O=C(O)C1(CCC1)NCF 269956a_100000688724_100015361967 [1,0,0,1,0,0|1,0,1]=4 322 B12R1.283 O=CCN1CCSCC1C(=O)O 269956a_100011346106_200015260668 [0,0,0,1,0,1|2,0,0]=4 323 B12R1.18 O=CCNC1CCCCNC1=O 2230a_100000698827_200015260668 [0,1,0,1,0,0|2,0,0]=4 324 B12R1.18 O=CCNC1CCCCNC1=O 34a_100000698827_200009817547 [0,1,0,1,0,0|2,0,0]=4 325 B12R1.935 CSCC[C@H](NC1CC1)C(=O)O 269956a_100000743919_100000211595 [0,1,0,1,0,0|1,0,1]=4 326 B12R1.1762 C=CCNC(C(=O)O)C1CCC1 269956a_100000765838_100000210623 [0,1,0,1,0,0|2,0,0]=4 327 B12R1.1762 O=CCNC(C(=O)O)C1CCC1 269956a_100000765838_200015260668 [0,1,0,1,0,0|1,0,0]=3 328 B12R1.2264 C=CCNC1(CCCC1)C(=O)O 269956a_100000739329_100000210623 [0,1,0,1,0,0|2,0,0]=4 329 B12R1.2264 NC(=O)C1(CCCC1)NCC=O 2230a_100000755618_200015260668 [0,1,0,1,0,0|2,0,0]=4 330 B12R1.2264 NC(=O)C1(CCCC1)NCC=O 34a_100000755618_200009817547 [0,1,0,1,0,0|2,0,0]=4 331 B12R1.2264 O=CCNC1(CCCC1)C(=O)O 269956a_100000739329_200015260668 [0,1,0,1,0,0|1,0,0]=3 332 B12R1.456 CSCCNC1CC(=O)NC1=O 2230a_100102712934_100000751147 [0,1,0,1,0,0|2,0,0]=4 333 B12R1.861 CC(=O)CCC1NC(=O)NC1=O 1458a_100000181417_200000210301 [0,1,0,1,0,0|2,0,0]=4 334 B12R1.861 [13CH3]C(=O)CCC1NC(=O)NC1=O 1458a_100000181417_200025704644 [0,1,0,1,0,0|2,0,0]=4 335 B12R1.210 CC(=O)NC1CCCCNC1=O 11a_100000698827_100015343762 [0,1,0,1,0,0|2,0,0]=4 336 B12R1.210 CC(=O)NC1CCCCNC1=O 1626a_100000698827_100015343762 [0,1,0,1,0,0|2,0,0]=4 337 B12R1.210 CC(=O)NC1CCCCNC1=O 240690a_100000698827_100015343762 [0,1,0,1,0,0|2,0,0]=4 338 B12R1.210 CC(=O)NC1CCCCNC1=O 527a_100000698827_100103153847 [0,1,0,1,0,0|2,0,0]=4 339 B12R1.261 CC(=O)C1CCCCN1C(=O)C 1458a_100000195068_200000210301 [0,1,0,1,0,0|2,0,0]=4 340 B12R1.261 CC(=O)N1CCCCC1C(=O)N 1626a_100000181395_100015343762 [0,1,0,1,0,0|2,0,0]=4 341 B12R1.261 CC(=O)N1CCCCC1C(=O)N 527a_100000181395_100103153847 [0,1,0,1,0,0|2,0,0]=4 342 B12R1.261 CC(=O)N1CCCCC1C(=O)[13CH3] 1458a_100000195068_200025704644 [0,1,0,1,0,0|2,0,0]=4 343 B12R1.261 CC(C)N1CSCCC1C(=O)O 269956a_100015185162_100000210206 [0,1,0,1,0,0|1,0,1]=4 344 B12R1.1813 CC(=O)N[C@@H](C(=O)C)C1CCC1 1458a_100015353301_200000210301 [0,1,0,1,0,0|2,0,0]=4 345 B12R1.1813 CC(=O)N[C@@H](C(=O)[13CH3])C1CCC1 1458a_100015353301_200025704644 [0,1,0,1,0,0|2,0,0]=4 346 B12R1.3171 CC(=O)NC1(CCCC1)C(=O)N 11a_100000755618_100015343762 [0,1,0,1,0,0|2,0,0]=4 347 B12R1.3171 CC(=O)NC1(CCCC1)C(=O)N 1626a_100000755618_100015343762 [0,1,0,1,0,0|2,0,0]=4 348 B12R1.3171 CC(=O)NC1(CCCC1)C(=O)N 527a_100000755618_100103153847 [0,1,0,1,0,0|2,0,0]=4