0 B8R0.18 CC(=O)C(S[13CH3])C(=O)C 62a_100000210371_200025704644 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.18 CC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100000210371 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.18 CC(C)[C@@H](N[13CH3])C(=O)O 269956a_100000745019_200025704644 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.18 CC(O)C(N[13CH3])C(=O)O 269956a_100000185852_200025704644 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.18 CCC(C(=O)C)C(=O)N 1458a_100000070787_100000750255 [0,0,0,0,0,0|2,0,0]=2 5 B8R0.18 CCC(C(=O)C)N(C)C 1458a_100000689100_200000210301 [0,0,0,0,0,0|4,0,0]=4 6 B8R0.18 CCC(C(=O)N)N(C)C 2230a_100102631434_100000750255 [0,0,0,0,0,0|4,0,0]=4 7 B8R0.18 CCC(C(=O)N)N(C)C 269982a_100102631434_100000750255 [0,0,0,0,0,0|4,0,0]=4 8 B8R0.18 CCC(C(=O)[13CH3])N(C)C 1458a_100000689100_200025704644 [0,0,0,0,0,0|4,0,0]=4 9 B8R0.18 CC[C@@H](C(=O)N)N(C)C 2230a_103436537554_200000210301 [0,0,0,0,0,0|4,0,0]=4 10 B8R0.18 CC[C@@H](C(=O)N)N(C)C 269982a_103436537554_200000210301 [0,0,0,0,0,0|4,0,0]=4 11 B8R0.18 CC[C@@H](C(=O)N)N(C)[13CH3] 2230a_103436537554_200025704644 [0,0,0,0,0,0|4,0,0]=4 12 B8R0.18 CC[C@@H](C(=O)N)N(C)[13CH3] 269982a_103436537554_200025704644 [0,0,0,0,0,0|4,0,0]=4 13 B8R0.18 CN(C)[C@@H](CO)C(=O)O 269956a_100015362447_200000210301 [0,0,0,0,0,0|4,0,0]=4 14 B8R0.18 CN([13CH3])[C@@H](CO)C(=O)O 269956a_100015362447_200025704644 [0,0,0,0,0,0|4,0,0]=4 15 B8R0.18 CNC(C(=O)N)C(=O)N 2230a_100000025885_200000210301 [0,0,0,0,0,0|3,0,0]=3 16 B8R0.18 CNC(C(=O)O)C(C)O 269956a_100000185852_200000210301 [0,0,0,0,0,0|2,0,1]=3 17 B8R0.18 CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000210301 [0,0,0,0,0,0|3,0,1]=4 18 B8R0.18 CN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_200000210301 [0,0,0,0,0,0|3,0,1]=4 19 B8R0.18 CSC(C(=O)C)C(=O)C 62a_100000210371_200000210301 [0,0,0,0,0,0|3,0,0]=3 20 B8R0.18 CSC(C(=O)C)C(=O)C 62a_200000210301_100000210371 [0,0,0,0,0,0|3,0,0]=3 21 B8R0.18 C[C@@H](O)[C@H](N[13CH3])C(=O)N 2230a_100000003557_200025704644 [0,0,0,0,0,0|3,0,1]=4 22 B8R0.18 [13CH3]NC(C(=O)N)C(=O)N 2230a_100000025885_200025704644 [0,0,0,0,0,0|3,0,0]=3 23 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [1,0,0,0,0,0|2,0,0]=3 24 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [1,0,0,0,0,0|2,0,0]=3 25 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [1,0,0,0,0,0|3,0,0]=4 29 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [1,0,0,0,0,0|3,0,0]=4 30 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [1,0,0,0,0,0|3,0,0]=4 31 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [1,0,0,0,0,0|3,0,0]=4 32 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [1,0,0,0,0,0|3,0,0]=4 33 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [1,0,0,0,0,0|3,0,0]=4 34 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [1,0,0,0,0,0|3,0,0]=4 35 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [1,0,0,0,0,0|3,0,0]=4 36 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [1,0,0,0,0,0|3,0,0]=4 37 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [1,0,0,0,0,0|3,0,0]=4 38 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [1,0,0,0,0,0|3,0,0]=4 39 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [1,0,0,0,0,0|3,0,0]=4 40 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [1,0,0,0,0,0|3,0,0]=4 41 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [1,0,0,0,0,0|3,0,0]=4 42 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [1,0,0,0,0,0|2,0,0]=3 43 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [1,0,0,0,0,0|2,0,0]=3 44 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [1,0,0,0,0,0|1,0,1]=3 45 B7R0.15 CN[C@@H](CO)C(=O)N 2230a_100000729942_200000210301 [1,0,0,0,0,0|2,0,1]=4 46 B7R0.15 CN[C@@H](CO)C(=O)N 34a_100000729942_200000210301 [1,0,0,0,0,0|2,0,1]=4 47 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [1,0,0,0,0,0|1,0,1]=3 48 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 2230a_100000729942_200025704644 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 34a_100000729942_200025704644 [1,0,0,0,0,0|2,0,1]=4 50 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [1,0,0,0,0,0|2,0,0]=3 51 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [1,0,0,0,0,0|2,0,0]=3 52 B7R0.16 CC(=O)C(F)C(=O)N 1458a_100000070787_100009813875 [1,0,0,0,0,0|3,0,0]=4 53 B7R0.16 CC(=O)C(F)C(=O)[O-] 1458a_100000070787_100020610796 [1,0,0,0,0,0|2,0,1]=4 54 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [1,0,0,0,0,0|3,0,0]=4 55 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [1,0,0,0,0,0|3,0,0]=4 56 B9R0.29 C#CC(=O)C(CC)C(=O)N 1458a_100000211873_100000750255 [0,1,0,0,0,0|2,0,0]=3 57 B9R0.29 C=CC(=O)C(CC)C(=O)N 1458a_100000185746_100000750255 [0,1,0,0,0,0|2,0,0]=3 58 B9R0.29 CCC(=O)C(CC)C(=O)N 1458a_100000210414_100000750255 [0,1,0,0,0,0|2,0,0]=3 59 B9R0.29 CCC(C(=O)C)C(=O)OC 1458a_100000070787_100000235869 [0,1,0,0,0,0|1,0,0]=2 60 B9R0.29 CCC(C(=O)N)C(=O)CO 1458a_100000210174_100000750255 [0,1,0,0,0,0|1,0,0]=2 61 B9R0.29 CCC(C(=O)OC)N(C)C 2230a_100000709176_200000210301 [0,1,0,0,0,0|3,0,0]=4 62 B9R0.29 CCC(C(=O)OC)N(C)C 2230a_100102631434_100000235869 [0,1,0,0,0,0|3,0,0]=4 63 B9R0.29 CCC(C(=O)OC)N(C)C 269982a_100000709176_200000210301 [0,1,0,0,0,0|3,0,0]=4 64 B9R0.29 CCC(C(=O)OC)N(C)C 269982a_100102631434_100000235869 [0,1,0,0,0,0|3,0,0]=4 65 B9R0.29 CCC(C(=O)OC)N(C)[13CH3] 2230a_100000709176_200025704644 [0,1,0,0,0,0|3,0,0]=4 66 B9R0.29 CCC(C(=O)OC)N(C)[13CH3] 269982a_100000709176_200025704644 [0,1,0,0,0,0|3,0,0]=4 67 B9R0.29 CNC(=O)C(NC)C(=O)C 7a_106832991635_100000210987 [0,1,0,0,0,0|3,0,0]=4 68 B9R0.29 CNC(=O)C(SC)C(=O)C 62a_100000210987_200000210301 [0,1,0,0,0,0|3,0,0]=4 69 B9R0.29 CNC(=O)C(SC)C(=O)C 62a_200000210301_100000210987 [0,1,0,0,0,0|3,0,0]=4 70 B9R0.29 CNC(=O)C(S[13CH3])C(=O)C 62a_100000210987_200025704644 [0,1,0,0,0,0|3,0,0]=4 71 B9R0.29 CNC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100000210987 [0,1,0,0,0,0|3,0,0]=4 72 B9R0.29 CN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_200000210301 [0,1,0,0,0,0|2,0,1]=4 73 B9R0.29 COC(=O)C(CO)C(=O)C 1458a_100000070787_100012276630 [0,1,0,0,0,0|2,0,0]=3 74 B9R0.29 COC(=O)C(SC)C(=O)C 62a_100011215331_200000210301 [0,1,0,0,0,0|2,0,0]=3 75 B9R0.29 COC(=O)C(SC)C(=O)C 62a_200000210301_100011215331 [0,1,0,0,0,0|2,0,0]=3 76 B9R0.29 COC(=O)C(S[13CH3])C(=O)C 62a_100011215331_200025704644 [0,1,0,0,0,0|2,0,0]=3 77 B9R0.29 COC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100011215331 [0,1,0,0,0,0|2,0,0]=3 78 B9R0.29 CO[C@H](C)[C@H](N[13CH3])C(=O)O 269956a_100015335849_200025704644 [0,1,0,0,0,0|2,0,1]=4 79 B9R0.33 CC(=O)C(SCF)C(=O)C 62a_100000210371_100015361967 [0,1,0,0,0,0|3,0,0]=4 80 B9R0.33 CC(=O)C(SCF)C(=O)C 62a_100015361967_100000210371 [0,1,0,0,0,0|3,0,0]=4 81 B9R0.33 CC(O)C(NCF)C(=O)O 269956a_100000185852_100015361967 [0,1,0,0,0,0|2,0,1]=4 82 B9R0.33 CCNC(C(=O)N)C(=O)N 2230a_100000025885_100000210202 [0,1,0,0,0,0|2,0,0]=3 83 B9R0.33 CCNC(C(=O)O)C(C)O 269956a_100000185852_100000210202 [0,1,0,0,0,0|1,0,1]=3 84 B9R0.33 CCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210202 [0,1,0,0,0,0|2,0,1]=4 85 B9R0.33 CCN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100000210202 [0,1,0,0,0,0|2,0,1]=4 86 B9R0.33 CCSC(C(=O)C)C(=O)C 62a_100000210202_100000210371 [0,1,0,0,0,0|2,0,0]=3 87 B9R0.33 CCSC(C(=O)C)C(=O)C 62a_100000210371_100000210202 [0,1,0,0,0,0|2,0,0]=3 88 B9R0.54 CC(=O)C(C(=O)N)C(C)C 1458a_100000070787_100000230017 [0,1,0,0,0,0|2,0,0]=3 89 B9R0.54 CC(C)[C@@H](C(=O)O)N(C)C 269956a_100015941355_200000210301 [0,1,0,0,0,0|3,0,0]=4 90 B9R0.54 CC(C)[C@@H](C(=O)O)N(C)[13CH3] 269956a_100015941355_200025704644 [0,1,0,0,0,0|3,0,0]=4 91 B9R0.72 CC(C)(O)[C@@H](N[13CH3])C(=O)O 269956a_100015421311_200025704644 [0,1,0,0,0,0|2,0,1]=4 92 B9R0.72 CN[C@@H](C(=O)O)C(C)(C)O 269956a_100015421311_200000210301 [0,1,0,0,0,0|2,0,1]=4 93 B9R1.27 CNC1C(=O)CCC1=O 2230a_106832991635_100009820769 [0,0,0,1,0,0|3,0,0]=4 94 B9R1.27 CNC1C(=O)CCC1=O 7a_106832991635_100009820769 [0,0,0,1,0,0|3,0,0]=4 95 B9R1.27 CNC1C(=O)COC1=O 34a_100102657272_100000032967 [0,0,0,1,0,0|2,0,0]=3 96 B9R1.27 COC1C(=O)COC1=O 34a_100138415774_100000032967 [0,0,0,1,0,0|2,0,0]=3 97 B9R1.27 CSC1C(=O)CCC1=O 62a_100009820769_200000210301 [0,0,0,1,0,0|3,0,0]=4 98 B9R1.27 CSC1C(=O)CCC1=O 62a_200000210301_100009820769 [0,0,0,1,0,0|3,0,0]=4 99 B9R1.27 CSC1C(=O)COC1=O 62a_200000210301_100000032967 [0,0,0,1,0,0|2,0,0]=3 100 B9R1.27 [13CH3]SC1C(=O)CCC1=O 62a_100009820769_200025704644 [0,0,0,1,0,0|3,0,0]=4 101 B9R1.27 [13CH3]SC1C(=O)CCC1=O 62a_200025704644_100009820769 [0,0,0,1,0,0|3,0,0]=4 102 B9R1.27 [13CH3]SC1C(=O)COC1=O 62a_200025704644_100000032967 [0,0,0,1,0,0|2,0,0]=3 103 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [0,0,0,1,0,0|2,0,0]=3 104 B9R1.41 CC(=O)C1CCOC1=O 1458a_100000070787_100000211211 [0,0,0,1,0,0|1,0,0]=2 105 B9R1.41 CN(C)C1CCOC1=O 2230a_100102631434_100000211211 [0,0,0,1,0,0|3,0,0]=4 106 B9R1.41 CN(C)C1CCOC1=O 269982a_100102631434_100000211211 [0,0,0,1,0,0|3,0,0]=4 107 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [0,0,0,1,0,0|3,0,0]=4 108 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [0,0,0,1,0,0|3,0,0]=4 109 B9R1.168 CC(=O)C1(CC1)C(=O)C 1458a_100000070787_100000086384 [0,0,0,1,0,0|2,0,0]=3 110 B9R1.168 CC(=O)C1(CC1)C(=O)N 1458a_100000070787_100010760883 [0,0,0,1,0,0|2,0,0]=3 111 B9R1.168 CC(=O)C1(CC1)C(=O)N 1458a_100000751805_200000210301 [0,0,0,1,0,0|2,0,0]=3 112 B9R1.168 [13CH3]C(=O)C1(CC1)C(=O)N 1458a_100000751805_200025704644 [0,0,0,1,0,0|2,0,0]=3 113 B9R0.39 CC(=O)NC(CO)C(=O)C 1458a_200011194110_200000210301 [0,0,0,0,0,1|3,0,0]=4 114 B9R0.39 CC(=O)NC(CO)C(=O)[13CH3] 1458a_200011194110_200025704644 [0,0,0,0,0,1|3,0,0]=4 115 B9R0.39 CC(=O)N[C@@H](CO)C(=O)N 240690a_100000729942_100015343762 [0,0,0,0,0,1|3,0,0]=4 116 B9R0.39 CCC(NC(=O)C)C(=O)C 1458a_100000195128_200000210301 [0,0,0,0,0,1|2,0,0]=3 117 B9R0.39 CCC(NC(=O)C)C(=O)N 11a_100000733705_100015343762 [0,0,0,0,0,1|2,0,0]=3 118 B9R0.39 CCC(NC(=O)C)C(=O)N 1626a_100000733705_100015343762 [0,0,0,0,0,1|2,0,0]=3 119 B9R0.39 CCC(NC(=O)C)C(=O)N 240690a_100000733705_100015343762 [0,0,0,0,0,1|2,0,0]=3 120 B9R0.39 CCC(NC(=O)C)C(=O)N 527a_100000733705_100103153847 [0,0,0,0,0,1|2,0,0]=3 121 B9R0.39 CCC(NC(=O)C)C(=O)[13CH3] 1458a_100000195128_200025704644 [0,0,0,0,0,1|2,0,0]=3 122 B9R0.39 CCC(NC(=O)N)C(=O)C 1458a_100000203762_200000210301 [0,0,0,0,0,1|2,0,0]=3 123 B9R0.39 CCC(NC(=O)N)C(=O)[13CH3] 1458a_100000203762_200025704644 [0,0,0,0,0,1|2,0,0]=3 124 B9R0.39 CC[C@@H](NC(C)C)C(=O)O 269956a_100000747097_100000210206 [0,0,0,0,0,1|2,0,1]=4 125 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 11a_100161114882_100015343762 [0,0,0,0,0,1|2,0,1]=4 126 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 1626a_100161114882_100015343762 [0,0,0,0,0,1|2,0,1]=4 127 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 240690a_100161114882_100015343762 [0,0,0,0,0,1|2,0,1]=4 128 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 527a_100161114882_100103153847 [0,0,0,0,0,1|2,0,1]=4 129 B9R0.39 CN[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_200000210301 [0,0,0,0,0,1|3,0,0]=4 130 B9R0.39 CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_200000210301 [0,0,0,0,0,1|3,0,0]=4 131 B9R0.39 CS(=O)C[C@H](N[13CH3])C(=O)O 269956a_100009817418_200025704644 [0,0,0,0,0,1|3,0,0]=4 132 B9R0.39 [13CH3]N[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_200025704644 [0,0,0,0,0,1|3,0,0]=4 133 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [2,0,0,0,0,0|2,0,0]=4 134 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [2,0,0,0,0,0|2,0,0]=4 135 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [2,0,0,0,0,0|2,0,0]=4 136 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [2,0,0,0,0,0|1,0,1]=4 137 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [2,0,0,0,0,0|1,0,1]=4 138 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [2,0,0,0,0,0|1,0,1]=4 139 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [2,0,0,0,0,0|1,0,0]=3 140 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [2,0,0,0,0,0|1,0,0]=3 141 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [2,0,0,0,0,0|1,0,1]=4 142 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [2,0,0,0,0,0|1,0,1]=4 143 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [2,0,0,0,0,0|2,0,0]=4 144 B6R0.9 CNC(C=O)C=O 2230a_106832991635_100000736813 [2,0,0,0,0,0|1,0,0]=3 145 B6R0.9 CNC(C=O)C=O 34a_100102657272_100000736813 [2,0,0,0,0,0|1,0,0]=3 146 B6R0.9 COC(C=O)C=O 34a_100138415774_100000736813 [2,0,0,0,0,0|1,0,0]=3 147 B6R0.9 CSC(C=O)C=O 62a_100000736813_200000210301 [2,0,0,0,0,0|1,0,0]=3 148 B6R0.9 CSC(C=O)C=O 62a_200000210301_100000736813 [2,0,0,0,0,0|1,0,0]=3 149 B6R0.9 [13CH3]SC(C=O)C=O 62a_100000736813_200025704644 [2,0,0,0,0,0|1,0,0]=3 150 B6R0.9 [13CH3]SC(C=O)C=O 62a_200025704644_100000736813 [2,0,0,0,0,0|1,0,0]=3 151 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [2,0,0,0,0,0|2,0,0]=4 152 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [2,0,0,0,0,0|2,0,0]=4 153 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [2,0,0,0,0,0|1,0,1]=4 154 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [2,0,0,0,0,0|2,0,0]=4 155 B8R0.15 C=C[C@H](NCC)C(=O)O 269956a_100016992060_100000210202 [1,1,0,0,0,0|1,0,0]=3 156 B8R0.15 C=C[C@H](NCF)C(=O)O 269956a_100016992060_100015361967 [1,1,0,0,0,0|2,0,0]=4 157 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [1,1,0,0,0,0|2,0,0]=4 158 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [1,1,0,0,0,0|2,0,0]=4 159 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [1,1,0,0,0,0|0,0,1]=3 160 B8R0.15 CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210202 [1,1,0,0,0,0|1,0,1]=4 161 B8R0.15 CCN[C@@H](CO)C(=O)N 34a_100000729942_100000210202 [1,1,0,0,0,0|1,0,1]=4 162 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [1,1,0,0,0,0|1,0,1]=4 163 B8R0.15 CC[C@@H](NCF)C(=O)O 269956a_100000747097_100015361967 [1,1,0,0,0,0|1,0,1]=4 164 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [1,1,0,0,0,0|2,0,0]=4 165 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [1,1,0,0,0,0|2,0,0]=4 166 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [1,1,0,0,0,0|1,0,1]=4 167 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [1,1,0,0,0,0|1,0,1]=4 168 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [1,1,0,0,0,0|2,0,0]=4 169 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [1,1,0,0,0,0|2,0,0]=4 170 B8R0.15 O=C(O)C(CO)NCF 269956a_100000187304_100015361967 [1,1,0,0,0,0|1,0,1]=4 171 B8R0.20 CCC(CC)C(=O)CO 1458a_100000210174_100000210505 [1,1,0,0,0,0|1,0,1]=4 172 B8R0.20 CCC(NC)C(=O)OC 2230a_106832991635_100000235869 [1,1,0,0,0,0|2,0,0]=4 173 B8R0.20 CCC(NC)C(=O)OC 34a_100102657272_100000235869 [1,1,0,0,0,0|2,0,0]=4 174 B8R0.20 CCC(NC)C(=O)OC 7a_106832991635_100000742303 [1,1,0,0,0,0|2,0,0]=4 175 B8R0.20 CCC(OC)C(=O)OC 34a_100000695916_200000210301 [1,1,0,0,0,0|2,0,0]=4 176 B8R0.20 CCC(OC)C(=O)OC 34a_100138415774_100000235869 [1,1,0,0,0,0|2,0,0]=4 177 B8R0.20 CCC(OC)C(=O)OC 7a_100000695916_200000210301 [1,1,0,0,0,0|2,0,0]=4 178 B8R0.20 CCC(O[13CH3])C(=O)OC 34a_100000695916_200025704644 [1,1,0,0,0,0|2,0,0]=4 179 B8R0.20 CCC(O[13CH3])C(=O)OC 7a_100000695916_200025704644 [1,1,0,0,0,0|2,0,0]=4 180 B8R0.20 CCC(SC)C(=O)OC 62a_100000235869_200000210301 [1,1,0,0,0,0|2,0,0]=4 181 B8R0.20 CCC(SC)C(=O)OC 62a_200000210301_100000235869 [1,1,0,0,0,0|2,0,0]=4 182 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_100000235869_200025704644 [1,1,0,0,0,0|2,0,0]=4 183 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_200025704644_100000235869 [1,1,0,0,0,0|2,0,0]=4 184 B8R0.20 CNC(C=O)C(=O)OC 34a_100102657272_100000046368 [1,1,0,0,0,0|1,0,0]=3 185 B8R0.20 CNC(CO)C(=O)OC 34a_100102657272_100012276630 [1,1,0,0,0,0|1,0,1]=4 186 B8R0.20 COC(=O)C(C=O)OC 34a_100138415774_100000046368 [1,1,0,0,0,0|1,0,0]=3 187 B8R0.20 COC(=O)C(C=O)SC 62a_100000046368_200000210301 [1,1,0,0,0,0|1,0,0]=3 188 B8R0.20 COC(=O)C(C=O)SC 62a_200000210301_100000046368 [1,1,0,0,0,0|1,0,0]=3 189 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_100000046368_200025704644 [1,1,0,0,0,0|1,0,0]=3 190 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_200025704644_100000046368 [1,1,0,0,0,0|1,0,0]=3 191 B8R0.20 COC(=O)C(CO)OC 34a_100138415774_100012276630 [1,1,0,0,0,0|1,0,1]=4 192 B8R0.20 COC(=O)C(CO)SC 62a_100012276630_200000210301 [1,1,0,0,0,0|1,0,1]=4 193 B8R0.20 COC(=O)C(CO)SC 62a_200000210301_100012276630 [1,1,0,0,0,0|1,0,1]=4 194 B8R0.20 COC(=O)C(CO)S[13CH3] 62a_100012276630_200025704644 [1,1,0,0,0,0|1,0,1]=4 195 B8R0.20 COC(=O)C(CO)S[13CH3] 62a_200025704644_100012276630 [1,1,0,0,0,0|1,0,1]=4 196 B8R0.36 CCC(C)(NC)C(=O)O 269956a_100025756313_200000210301 [1,1,0,0,0,0|2,0,0]=4 197 B8R0.36 CCC(C)(N[13CH3])C(=O)O 269956a_100025756313_200025704644 [1,1,0,0,0,0|2,0,0]=4 198 B8R0.2 C#CC(=O)C(C)C(=O)C 1458a_100000211873_100000179758 [1,1,0,0,0,0|2,0,0]=4 199 B8R0.2 C#CC(=O)C(C)C(=O)N 1458a_100000211873_100000702099 [1,1,0,0,0,0|2,0,0]=4 200 B8R0.2 C=CC(=O)C(C)C(=O)C 1458a_100000185746_100000179758 [1,1,0,0,0,0|2,0,0]=4 201 B8R0.2 C=CC(=O)C(C)C(=O)N 1458a_100000185746_100000702099 [1,1,0,0,0,0|2,0,0]=4 202 B8R0.2 CC(=O)C(C)C(=O)CO 1458a_100000210174_100000179758 [1,1,0,0,0,0|1,0,0]=3 203 B8R0.2 CC(C(=O)N)C(=O)CO 1458a_100000210174_100000702099 [1,1,0,0,0,0|1,0,0]=3 204 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [1,1,0,0,0,0|2,0,0]=4 205 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [1,1,0,0,0,0|2,0,0]=4 206 B8R0.2 CCC(=O)C(C)C(=O)N 1458a_100000210414_100000702099 [1,1,0,0,0,0|2,0,0]=4 207 B8R0.2 CNC(=O)C(C)C(=O)C 1458a_100000070787_100000209862 [1,1,0,0,0,0|2,0,0]=4 208 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100000070787_100000211248 [1,1,0,0,0,0|1,0,0]=3 209 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100012027023_200000210301 [1,1,0,0,0,0|1,0,0]=3 210 B8R0.2 COC(=O)C(C)C(=O)[13CH3] 1458a_100012027023_200025704644 [1,1,0,0,0,0|1,0,0]=3 211 B8R0.2 NC(=O)C(F)C(=O)CO 1458a_100000210174_100009813875 [1,1,0,0,0,0|2,0,0]=4 212 B8R0.2 O=C([O-])C(F)C(=O)CO 1458a_100000210174_100020610796 [1,1,0,0,0,0|1,0,1]=4 213 B10R0.23 CCC[C@H](NC(=O)C)C(=O)C 1458a_100011995990_200000210301 [0,1,0,0,0,1|2,0,0]=4 214 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 11a_100000729256_100015343762 [0,1,0,0,0,1|2,0,0]=4 215 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 1626a_100000729256_100015343762 [0,1,0,0,0,1|2,0,0]=4 216 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 240690a_100000729256_100015343762 [0,1,0,0,0,1|2,0,0]=4 217 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 527a_100000729256_100103153847 [0,1,0,0,0,1|2,0,0]=4 218 B10R0.23 CCC[C@H](NC(=O)C)C(=O)[13CH3] 1458a_100011995990_200025704644 [0,1,0,0,0,1|2,0,0]=4 219 B10R0.23 CCN[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_100000210202 [0,1,0,0,0,1|2,0,0]=4 220 B10R0.23 CCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210202 [0,1,0,0,0,1|2,0,0]=4 221 B10R0.23 COCC(NC(=O)C)C(=O)C 1458a_200012277492_200000210301 [0,1,0,0,0,1|2,0,0]=4 222 B10R0.23 COCC(NC(=O)C)C(=O)[13CH3] 1458a_200012277492_200025704644 [0,1,0,0,0,1|2,0,0]=4 223 B10R0.53 C=CC(=O)NC(CC)C(=O)N 1626a_100000733705_100000185746 [0,1,0,0,0,1|2,0,0]=4 224 B10R0.53 C=CC(=O)NC(CC)C(=O)N 240690a_100000733705_200121576911 [0,1,0,0,0,1|2,0,0]=4 225 B10R0.53 CCC(=O)NC(CC)C(=O)N 11a_100000733705_100000210414 [0,1,0,0,0,1|2,0,0]=4 226 B10R0.53 CCC(=O)NC(CC)C(=O)N 1626a_100000733705_100000210414 [0,1,0,0,0,1|2,0,0]=4 227 B10R0.53 CCC(=O)NC(CC)C(=O)N 240690a_100000733705_100000210414 [0,1,0,0,0,1|2,0,0]=4 228 B10R0.53 CCC(=O)NC(CC)C(=O)N 527a_100000733705_100000210414 [0,1,0,0,0,1|2,0,0]=4 229 B10R0.53 CCC(NC(=O)CO)C(=O)N 240690a_100000733705_100000210174 [0,1,0,0,0,1|1,0,0]=3 230 B10R0.53 CCC(NC(=O)CO)C(=O)N 527a_100000733705_100000210174 [0,1,0,0,0,1|1,0,0]=3 231 B10R0.53 CCC(NC(=O)NC)C(=O)N 2708a_100102657272_100000733705 [0,1,0,0,0,1|2,0,0]=4 232 B10R0.53 CCC(NC(=O)NC)C(=O)N 273464a_100000733705_100102657272 [0,1,0,0,0,1|2,0,0]=4 233 B10R0.53 CCC(NC(=O)NC)C(=O)N 273464a_100102657272_100000733705 [0,1,0,0,0,1|2,0,0]=4 234 B10R0.53 CCC(NC(=O)NC)C(=O)N 512a_100000733705_100102657272 [0,1,0,0,0,1|2,0,0]=4 235 B10R0.53 CC[C@@H](NC(C)OC)C(=O)O 269956a_100000747097_100009879195 [0,1,0,0,0,1|1,0,1]=4 236 B10R0.53 CC[C@@H](N[C@H](C)CO)C(=O)O 269956a_100000747097_100016084084 [0,1,0,0,0,1|1,0,1]=4 237 B10R0.53 CC[C@H](NC(=O)CO)[C@@H](C)O 240690a_100161114882_100000210174 [0,1,0,0,0,1|1,0,1]=4 238 B10R0.53 CC[C@H](NC(=O)CO)[C@@H](C)O 527a_100161114882_100000210174 [0,1,0,0,0,1|1,0,1]=4 239 B10R0.53 NC(=O)[C@H](CO)NC(=O)CO 240690a_100000729942_100000210174 [0,1,0,0,0,1|2,0,0]=4 240 B10R0.54 CCC(=O)C(CC)NC(=O)C 1458a_100000195128_100000210202 [0,1,0,0,0,1|2,0,0]=4 241 B10R0.54 CCC(=O)C(CC)NC(=O)N 1458a_100000203762_100000210202 [0,1,0,0,0,1|2,0,0]=4 242 B10R0.54 CCC(NC(=O)C)C(=O)CF 1458a_100000195128_100015361967 [0,1,0,0,0,1|2,0,0]=4 243 B10R0.54 CCC(NC(=O)C)C(=O)NC 11a_106832991635_100000195128 [0,1,0,0,0,1|2,0,0]=4 244 B10R0.54 CCC(NC(=O)C)C(=O)NC 1626a_100102657272_100000195128 [0,1,0,0,0,1|2,0,0]=4 245 B10R0.54 CCC(NC(=O)C)C(=O)NC 240690a_100102657272_100000195128 [0,1,0,0,0,1|2,0,0]=4 246 B10R0.54 CCC(NC(=O)C)C(=O)NC 527a_100102657272_100000195128 [0,1,0,0,0,1|2,0,0]=4 247 B10R0.54 CCC(NC(=O)N)C(=O)CF 1458a_100000203762_100015361967 [0,1,0,0,0,1|2,0,0]=4 248 B10R0.54 CCC(NC(=O)N)C(=O)NC 240690a_100102657272_100000203762 [0,1,0,0,0,1|2,0,0]=4 249 B10R0.54 CC[C@@H](NC(=O)C)C(=O)OC 188690a_100020627782_100015343762 [0,1,0,0,0,1|1,0,0]=3 250 B10R0.54 CC[C@H](NC(=O)C)C(=O)NC 11a_106657271573_100015343762 [0,1,0,0,0,1|2,0,0]=4 251 B10R0.54 CC[C@H](NC(=O)C)C(=O)NC 1626a_106657271573_100015343762 [0,1,0,0,0,1|2,0,0]=4 252 B10R0.54 CC[C@H](NC(=O)C)C(=O)NC 240690a_106657271573_100015343762 [0,1,0,0,0,1|2,0,0]=4 253 B10R0.54 CC[C@H](NC(=O)C)C(=O)NC 527a_106657271573_100103153847 [0,1,0,0,0,1|2,0,0]=4 254 B10R0.54 COC(=O)[C@@H](CO)NC(=O)C 188690a_100000003586_100015343762 [0,1,0,0,0,1|2,0,0]=4 255 B10R0.76 CC[C@@H](C(=O)N)N(C)C(=O)C 11a_103436537554_100015343762 [0,1,0,0,0,1|2,0,0]=4 256 B10R0.76 CC[C@@H](C(=O)N)N(C)C(=O)C 1626a_103436537554_100015343762 [0,1,0,0,0,1|2,0,0]=4 257 B10R0.76 CC[C@@H](C(=O)N)N(C)C(=O)C 240690a_103436537554_100015343762 [0,1,0,0,0,1|2,0,0]=4 258 B10R0.76 CC[C@@H](C(=O)N)N(C)C(=O)C 527a_103436537554_100103153847 [0,1,0,0,0,1|2,0,0]=4 259 B10R0.162 CC(=O)N[C@H](C(=O)C)C(C)C 1458a_100011416799_200000210301 [0,1,0,0,0,1|2,0,0]=4 260 B10R0.162 CC(=O)N[C@H](C(=O)C)[C@@H](C)O 1458a_100012017110_200000210301 [0,1,0,0,0,1|2,0,0]=4 261 B10R0.162 CC(=O)N[C@H](C(=O)N)C(C)C 11a_100000119348_100015343762 [0,1,0,0,0,1|2,0,0]=4 262 B10R0.162 CC(=O)N[C@H](C(=O)N)C(C)C 1626a_100000119348_100015343762 [0,1,0,0,0,1|2,0,0]=4 263 B10R0.162 CC(=O)N[C@H](C(=O)N)C(C)C 240690a_100000119348_100015343762 [0,1,0,0,0,1|2,0,0]=4 264 B10R0.162 CC(=O)N[C@H](C(=O)N)C(C)C 527a_100000119348_100103153847 [0,1,0,0,0,1|2,0,0]=4 265 B10R0.162 CC(=O)N[C@H](C(=O)N)[C@@H](C)O 11a_100000003557_100015343762 [0,1,0,0,0,1|2,0,0]=4 266 B10R0.162 CC(=O)N[C@H](C(=O)N)[C@@H](C)O 240690a_100000003557_100015343762 [0,1,0,0,0,1|2,0,0]=4 267 B10R0.162 CC(=O)N[C@H](C(=O)N)[C@@H](C)O 527a_100000003557_100103153847 [0,1,0,0,0,1|2,0,0]=4 268 B10R0.162 CC(=O)N[C@H](C(=O)[13CH3])C(C)C 1458a_100011416799_200025704644 [0,1,0,0,0,1|2,0,0]=4 269 B10R0.162 CC(=O)N[C@H](C(=O)[13CH3])[C@@H](C)O 1458a_100012017110_200025704644 [0,1,0,0,0,1|2,0,0]=4 270 B10R0.162 CC(=O)O[C@@H](C(=O)C)C(C)C 1458a_100016231877_200000210301 [0,1,0,0,0,1|2,0,0]=4 271 B10R0.162 CC(=O)O[C@@H](C(=O)[13CH3])C(C)C 1458a_100016231877_200025704644 [0,1,0,0,0,1|2,0,0]=4 272 B10R0.30 CCCC(C(=O)C)C(=O)OC 1458a_100000070787_200009843822 [0,2,0,0,0,0|1,0,0]=3 273 B10R0.30 CCN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_100000210202 [0,2,0,0,0,0|1,0,1]=4 274 B10R0.30 CCSC(C(=O)C)C(=O)NC 62a_100000210202_100000210987 [0,2,0,0,0,0|2,0,0]=4 275 B10R0.30 CCSC(C(=O)C)C(=O)NC 62a_100000210987_100000210202 [0,2,0,0,0,0|2,0,0]=4 276 B10R0.30 CCSC(C(=O)C)C(=O)OC 62a_100000210202_100011215331 [0,2,0,0,0,0|1,0,0]=3 277 B10R0.30 CCSC(C(=O)C)C(=O)OC 62a_100011215331_100000210202 [0,2,0,0,0,0|1,0,0]=3 278 B10R0.30 COC(=O)C(SCF)C(=O)C 62a_100011215331_100015361967 [0,2,0,0,0,0|2,0,0]=4 279 B10R0.30 COC(=O)C(SCF)C(=O)C 62a_100015361967_100011215331 [0,2,0,0,0,0|2,0,0]=4 280 B10R0.30 COCC(C(=O)C)C(=O)OC 1458a_100000070787_100000717350 [0,2,0,0,0,0|1,0,0]=3 281 B10R0.51 C#CC(=O)C(CC)C(=O)OC 1458a_100000211873_100000235869 [0,2,0,0,0,0|1,0,0]=3 282 B10R0.51 C#CC(=O)C(CO)C(=O)OC 1458a_100000211873_100012276630 [0,2,0,0,0,0|2,0,0]=4 283 B10R0.51 C=CC(=O)C(CC)C(=O)OC 1458a_100000185746_100000235869 [0,2,0,0,0,0|1,0,0]=3 284 B10R0.51 C=CC(=O)C(CO)C(=O)OC 1458a_100000185746_100012276630 [0,2,0,0,0,0|2,0,0]=4 285 B10R0.51 CCC(=O)C(CC)C(=O)OC 1458a_100000210414_100000235869 [0,2,0,0,0,0|1,0,0]=3 286 B10R0.51 CCC(=O)C(CO)C(=O)OC 1458a_100000210414_100012276630 [0,2,0,0,0,0|2,0,0]=4 287 B10R0.51 CCC(=O)C(NC)C(=O)OC 7a_106832991635_100000056495 [0,2,0,0,0,0|2,0,0]=4 288 B10R0.51 CCC(=O)C(SC)C(=O)OC 62a_100000056495_200000210301 [0,2,0,0,0,0|2,0,0]=4 289 B10R0.51 CCC(=O)C(SC)C(=O)OC 62a_200000210301_100000056495 [0,2,0,0,0,0|2,0,0]=4 290 B10R0.51 CCC(=O)C(S[13CH3])C(=O)OC 62a_100000056495_200025704644 [0,2,0,0,0,0|2,0,0]=4 291 B10R0.51 CCC(=O)C(S[13CH3])C(=O)OC 62a_200025704644_100000056495 [0,2,0,0,0,0|2,0,0]=4 292 B10R0.51 CCC(C(=O)CO)C(=O)OC 1458a_100000210174_100000235869 [0,2,0,0,0,0|0,0,0]=2 293 B10R0.51 CNC(C(=O)OC)C(=O)OC 34a_100102657272_100000037946 [0,2,0,0,0,0|1,0,0]=3 294 B10R0.51 COC(=O)C(CO)C(=O)CO 1458a_100000210174_100012276630 [0,2,0,0,0,0|1,0,0]=3 295 B10R0.51 COC(=O)C(OC)C(=O)OC 34a_100138415774_100000037946 [0,2,0,0,0,0|1,0,0]=3 296 B10R0.51 COC(=O)C(SC)C(=O)OC 62a_100000037946_200000210301 [0,2,0,0,0,0|1,0,0]=3 297 B10R0.51 COC(=O)C(SC)C(=O)OC 62a_200000210301_100000037946 [0,2,0,0,0,0|1,0,0]=3 298 B10R0.51 COC(=O)C(S[13CH3])C(=O)OC 62a_100000037946_200025704644 [0,2,0,0,0,0|1,0,0]=3 299 B10R0.51 COC(=O)C(S[13CH3])C(=O)OC 62a_200025704644_100000037946 [0,2,0,0,0,0|1,0,0]=3 300 B10R0.101 C#CCC(=O)C(CC)C(=O)N 1458a_100011220946_100000750255 [0,2,0,0,0,0|2,0,0]=4 301 B10R0.101 C=CCC(=O)C(CC)C(=O)N 1458a_100000210193_100000750255 [0,2,0,0,0,0|2,0,0]=4 302 B10R0.101 CC#CC(=O)C(CC)C(=O)N 1458a_100000763181_100000750255 [0,2,0,0,0,0|2,0,0]=4 303 B10R0.101 CC=CC(=O)C(CC)C(=O)N 1458a_100000210699_100000750255 [0,2,0,0,0,0|2,0,0]=4 304 B10R0.101 CCC(C(=O)N)C(=O)C=CBr 1458a_100016273825_100000750255 [0,2,0,0,0,0|2,0,0]=4 305 B10R0.101 CCC(C(=O)N)C(=O)C=CCl 1458a_200016279998_100000750255 [0,2,0,0,0,0|2,0,0]=4 306 B10R0.101 CCC(C(=O)N)C(=O)C=CI 1458a_100016256311_100000750255 [0,2,0,0,0,0|2,0,0]=4 307 B10R0.101 CCC(C(=O)N)C(=O)CC#N 1458a_100051588842_100000750255 [0,2,0,0,0,0|2,0,0]=4 308 B10R0.101 CCC(C(=O)N)C(=O)CCO 1458a_100011216618_100000750255 [0,2,0,0,0,0|1,0,0]=3 309 B10R0.101 CCC(C(=O)N)C(=O)COC 1458a_100000210968_100000750255 [0,2,0,0,0,0|1,0,0]=3 310 B10R0.101 CCC(C(=O)N)C(=O)CSC 1458a_100000184570_100000750255 [0,2,0,0,0,0|1,1,0]=4 311 B10R0.101 CCCC(=O)C(CC)C(=O)N 1458a_100000211992_100000750255 [0,2,0,0,0,0|2,0,0]=4 312 B10R0.101 CCOC(=O)C(CC)C(=O)C 1458a_100000070787_100000212269 [0,2,0,0,0,0|1,0,0]=3 313 B10R0.101 CCOC(=O)C(NC)C(=O)C 34a_100102657272_100009831564 [0,2,0,0,0,0|2,0,0]=4 314 B10R0.101 CCOC(=O)C(OC)C(=O)C 34a_100138415774_100009831564 [0,2,0,0,0,0|2,0,0]=4 315 B10R0.101 CCOC(=O)C(SC)C(=O)C 1458a_100000070787_100009893047 [0,2,0,0,0,0|2,0,0]=4 316 B10R0.101 CCOC(=O)C(SC)C(=O)C 62a_100000211040_200000210301 [0,2,0,0,0,0|2,0,0]=4 317 B10R0.101 CCOC(=O)C(SC)C(=O)C 62a_200000210301_100000211040 [0,2,0,0,0,0|2,0,0]=4 318 B10R0.101 CCOC(=O)C(S[13CH3])C(=O)C 62a_100000211040_200025704644 [0,2,0,0,0,0|2,0,0]=4 319 B10R0.101 CCOC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100000211040 [0,2,0,0,0,0|2,0,0]=4 320 B10R0.118 C#CC(=O)C(C(=O)N)C(C)C 1458a_100000211873_100000230017 [0,2,0,0,0,0|2,0,0]=4 321 B10R0.118 C=CC(=O)C(C(=O)N)C(C)C 1458a_100000185746_100000230017 [0,2,0,0,0,0|2,0,0]=4 322 B10R0.118 CC(C)C(C(=O)N)C(=O)CO 1458a_100000210174_100000230017 [0,2,0,0,0,0|1,0,0]=3 323 B10R0.118 CCC(=O)C(C(=O)N)C(C)C 1458a_100000210414_100000230017 [0,2,0,0,0,0|2,0,0]=4 324 B10R0.118 COC(=O)C(C(=O)C)C(C)C 1458a_100000070787_100000736125 [0,2,0,0,0,0|1,0,0]=3 325 B10R0.137 COC(=O)C(C)(OC)C(=O)C 34a_100000042598_200000210301 [0,2,0,0,0,0|2,0,0]=4 326 B10R0.137 COC(=O)C(C)(O[13CH3])C(=O)C 34a_100000042598_200025704644 [0,2,0,0,0,0|2,0,0]=4 327 B10R0.17 CC(=O)C(SCCF)C(=O)C 62a_100000210371_100011217306 [0,2,0,0,0,0|2,0,0]=4 328 B10R0.17 CC(=O)C(SCCF)C(=O)C 62a_100011217306_100000210371 [0,2,0,0,0,0|2,0,0]=4 329 B10R0.17 CC(=O)C(SCCO)C(=O)C 62a_100000210371_100000211926 [0,2,0,0,0,0|2,0,0]=4 330 B10R0.17 CC(=O)C(SCCO)C(=O)C 62a_100000211926_100000210371 [0,2,0,0,0,0|2,0,0]=4 331 B10R0.17 CC(O)C(NCCF)C(=O)O 269956a_100000185852_100011217306 [0,2,0,0,0,0|1,0,1]=4 332 B10R0.17 CC(O)C(NCCO)C(=O)O 269956a_100000185852_100000211926 [0,2,0,0,0,0|1,0,1]=4 333 B10R0.17 CCCCC(C(=O)C)C(=O)N 1458a_100000070787_100000748834 [0,2,0,0,0,0|2,0,0]=4 334 B10R0.17 CCCNC(C(=O)N)C(=O)N 2230a_100000025885_100000210303 [0,2,0,0,0,0|2,0,0]=4 335 B10R0.17 CCCNC(C(=O)O)C(C)O 269956a_100000185852_100000210207 [0,2,0,0,0,0|1,0,1]=4 336 B10R0.17 CCCSC(C(=O)C)C(=O)C 62a_100000210303_100000210371 [0,2,0,0,0,0|2,0,0]=4 337 B10R0.17 CCCSC(C(=O)C)C(=O)C 62a_100000210371_100000210303 [0,2,0,0,0,0|2,0,0]=4 338 B10R0.17 COCNC(C(=O)N)C(=O)N 2230a_100000025885_100000766300 [0,2,0,0,0,0|2,0,0]=4 339 B10R0.17 COCNC(C(=O)O)C(C)O 269956a_100000185852_100000766300 [0,2,0,0,0,0|1,0,1]=4 340 B10R0.17 COCSC(C(=O)C)C(=O)C 62a_100000210371_100000766300 [0,2,0,0,0,0|2,0,0]=4 341 B10R0.17 COCSC(C(=O)C)C(=O)C 62a_100000766300_100000210371 [0,2,0,0,0,0|2,0,0]=4 342 B10R0.17 CSCNC(C(=O)N)C(=O)N 2230a_100000025885_100011218213 [0,2,0,0,0,0|2,0,0]=4 343 B10R0.17 CSCNC(C(=O)O)C(C)O 269956a_100000185852_100011218213 [0,2,0,0,0,0|1,0,1]=4 344 B10R0.17 CSCSC(C(=O)C)C(=O)C 62a_100000210371_100011218213 [0,2,0,0,0,0|2,0,0]=4 345 B10R0.17 CSCSC(C(=O)C)C(=O)C 62a_100011218213_100000210371 [0,2,0,0,0,0|2,0,0]=4 346 B10R0.17 NC(=O)C(NCCF)C(=O)N 2230a_100000025885_100011217306 [0,2,0,0,0,0|2,0,0]=4 347 B10R0.17 NC(=O)C(NCCO)C(=O)N 2230a_100000025885_100000211926 [0,2,0,0,0,0|2,0,0]=4 348 B10R0.69 CCN[C@@H](C(=O)O)C(C)(C)O 269956a_100015421311_100000210202 [0,2,0,0,0,0|1,0,1]=4 349 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [1,0,0,1,0,0|1,0,1]=4 350 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [1,0,0,1,0,0|1,0,1]=4 351 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [1,0,0,1,0,0|1,0,1]=4 352 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [1,0,0,1,0,0|1,0,1]=4 353 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [1,0,0,1,0,0|1,0,1]=4 354 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [1,0,0,1,0,0|2,0,0]=4 355 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [1,0,0,1,0,0|2,0,0]=4 356 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [1,0,0,1,0,0|2,0,0]=4 357 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [1,0,0,1,0,0|2,0,0]=4 358 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [1,0,0,1,0,0|2,0,0]=4 359 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [1,0,0,1,0,0|2,0,0]=4 360 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [1,0,0,1,0,0|2,0,0]=4 361 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [1,0,0,1,0,0|2,0,0]=4 362 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [1,0,0,1,0,0|1,0,0]=3 363 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [1,0,0,1,0,0|2,0,0]=4 364 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [1,0,0,1,0,0|2,0,0]=4 365 B8R1.63 CC(=O)C1(CC1)CO 1458a_100012027107_200000210301 [1,0,0,1,0,0|1,0,1]=4 366 B8R1.63 CNC1(CC1)C(=O)O 269956a_100000746478_200000210301 [1,0,0,1,0,0|2,0,0]=4 367 B8R1.63 [13CH3]C(=O)C1(CC1)CO 1458a_100012027107_200025704644 [1,0,0,1,0,0|1,0,1]=4 368 B8R1.63 [13CH3]NC1(CC1)C(=O)O 269956a_100000746478_200025704644 [1,0,0,1,0,0|2,0,0]=4 369 B10R1.64 CC(=O)CN1CCOC1=O 1458a_100011227918_200000210301 [0,0,0,1,0,1|2,0,0]=4 370 B10R1.64 CC(=O)NC1CCNC1=O 11a_100016995588_100015343762 [0,0,0,1,0,1|2,0,0]=4 371 B10R1.64 CC(=O)NC1CCNC1=O 1626a_100016995588_100015343762 [0,0,0,1,0,1|2,0,0]=4 372 B10R1.64 CC(=O)NC1CCNC1=O 240690a_100016995588_100015343762 [0,0,0,1,0,1|2,0,0]=4 373 B10R1.64 CC(=O)NC1CCNC1=O 527a_100016995588_100103153847 [0,0,0,1,0,1|2,0,0]=4 374 B10R1.64 CC(=O)NC1CCSC1=O 11a_100000184058_100015343762 [0,0,0,1,0,1|1,1,0]=4 375 B10R1.64 CC(=O)NC1CCSC1=O 1626a_100000184058_100015343762 [0,0,0,1,0,1|1,1,0]=4 376 B10R1.64 CC(=O)NC1CCSC1=O 240690a_100000184058_100015343762 [0,0,0,1,0,1|1,1,0]=4 377 B10R1.64 CC(=O)NC1CCSC1=O 527a_100000184058_100103153847 [0,0,0,1,0,1|1,1,0]=4 378 B10R1.64 [13CH3]C(=O)CN1CCOC1=O 1458a_100011227918_200025704644 [0,0,0,1,0,1|2,0,0]=4 379 B10R1.113 CC(=O)C1CCNC(=O)C1 1458a_100000132800_200000210301 [0,0,0,1,0,1|2,0,0]=4 380 B10R1.113 CC(=O)N1CCOC(=O)C1 11a_100000131268_100015343762 [0,0,0,1,0,1|2,0,0]=4 381 B10R1.113 CC(=O)N1CCOC(=O)C1 240690a_100000131268_100015343762 [0,0,0,1,0,1|2,0,0]=4 382 B10R1.113 CC(=O)N1CCOC(=O)C1 527a_100000131268_100103153847 [0,0,0,1,0,1|2,0,0]=4 383 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [0,0,0,1,0,1|2,0,0]=4 384 B10R1.113 [13CH3]C(=O)C1CCNC(=O)C1 1458a_100000132800_200025704644 [0,0,0,1,0,1|2,0,0]=4 385 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [0,0,0,1,0,1|2,0,0]=4 386 B10R1.361 CC(=O)N1CC[C@H]1C(=O)[13CH3] 1458a_200015362969_200025704644 [0,0,0,1,0,1|2,0,0]=4 387 B10R1.361 CC(=O)[C@@H]1CCN1C(=O)C 1458a_200015362969_200000210301 [0,0,0,1,0,1|2,0,0]=4 388 B10R1.442 CC(=O)NC1(CC1)C(=O)C 1458a_100012027092_200000210301 [0,0,0,1,0,1|2,0,0]=4 389 B10R1.442 CC(=O)NC1(CC1)C(=O)N 11a_100000687655_100015343762 [0,0,0,1,0,1|2,0,0]=4 390 B10R1.442 CC(=O)NC1(CC1)C(=O)N 240690a_100000687655_100015343762 [0,0,0,1,0,1|2,0,0]=4 391 B10R1.442 CC(=O)NC1(CC1)C(=O)N 527a_100000687655_100103153847 [0,0,0,1,0,1|2,0,0]=4 392 B10R1.442 CC(=O)NC1(CC1)C(=O)[13CH3] 1458a_100012027092_200025704644 [0,0,0,1,0,1|2,0,0]=4 393 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [0,1,0,1,0,0|2,0,0]=4 394 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000070787_100000687798 [0,1,0,1,0,0|2,0,0]=4 395 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000087122_200000210301 [0,1,0,1,0,0|2,0,0]=4 396 B10R1.61 CC(=O)C1COCCC1=O 1458a_100000070787_100012180262 [0,1,0,1,0,0|2,0,0]=4 397 B10R1.61 [13CH3]C(=O)C1CCCNC1=O 1458a_100000087122_200025704644 [0,1,0,1,0,0|2,0,0]=4 398 B10R1.149 C#CC(=O)C1CCCC1=O 1458a_100000211873_100000211823 [0,1,0,1,0,0|2,0,0]=4 399 B10R1.149 C#CC(=O)C1CCOC1=O 1458a_100000211873_100000211211 [0,1,0,1,0,0|1,0,0]=3 400 B10R1.149 C=CC(=O)C1CCCC1=O 1458a_100000185746_100000211823 [0,1,0,1,0,0|2,0,0]=4 401 B10R1.149 C=CC(=O)C1CCOC1=O 1458a_100000185746_100000211211 [0,1,0,1,0,0|1,0,0]=3 402 B10R1.149 CCC(=O)C1CCCC1=O 1458a_100000210414_100000211823 [0,1,0,1,0,0|2,0,0]=4 403 B10R1.149 CCC(=O)C1CCOC1=O 1458a_100000210414_100000211211 [0,1,0,1,0,0|1,0,0]=3 404 B10R1.149 O=C(CO)C1CCCC1=O 1458a_100000210174_100000211823 [0,1,0,1,0,0|1,0,0]=3 405 B10R1.149 O=C(CO)C1CCOC1=O 1458a_100000210174_100000211211 [0,1,0,1,0,0|0,0,0]=2 406 B10R1.192 CN(C)C1C(=O)COC1=O 269982a_100102631434_100000032967 [0,1,0,1,0,0|2,0,0]=4 407 B10R1.194 CC(=O)C1CCN(C1=O)C 1458a_100000070787_100000755940 [0,1,0,1,0,0|2,0,0]=4 408 B10R1.194 CC(=O)C1CCN(C1=O)C 1458a_100000137746_200000210301 [0,1,0,1,0,0|2,0,0]=4 409 B10R1.194 CN1CCC(C1=O)C(=O)[13CH3] 1458a_100000137746_200025704644 [0,1,0,1,0,0|2,0,0]=4 410 B10R1.425 C#CC(=O)C1(CC1)C(=O)C 1458a_100000211873_100000086384 [0,1,0,1,0,0|2,0,0]=4 411 B10R1.425 C#CC(=O)C1(CC1)C(=O)N 1458a_100000211873_100010760883 [0,1,0,1,0,0|2,0,0]=4 412 B10R1.425 C=CC(=O)C1(CC1)C(=O)C 1458a_100000185746_100000086384 [0,1,0,1,0,0|2,0,0]=4 413 B10R1.425 C=CC(=O)C1(CC1)C(=O)N 1458a_100000185746_100010760883 [0,1,0,1,0,0|2,0,0]=4 414 B10R1.425 CC(=O)C1(CC1)C(=O)CO 1458a_100000210174_100000086384 [0,1,0,1,0,0|1,0,0]=3 415 B10R1.425 CCC(=O)C1(CC1)C(=O)C 1458a_100000210414_100000086384 [0,1,0,1,0,0|2,0,0]=4 416 B10R1.425 CCC(=O)C1(CC1)C(=O)N 1458a_100000210414_100010760883 [0,1,0,1,0,0|2,0,0]=4 417 B10R1.425 CCC(=O)C1(CC1)C(=O)N 1458a_100000751805_100000210202 [0,1,0,1,0,0|2,0,0]=4 418 B10R1.425 CNC(=O)C1(CC1)C(=O)N 11a_106832991635_100000751805 [0,1,0,1,0,0|2,0,0]=4 419 B10R1.425 CNC(=O)C1(CC1)C(=O)N 1626a_100102657272_100000751805 [0,1,0,1,0,0|2,0,0]=4 420 B10R1.425 CNC(=O)C1(CC1)C(=O)N 240690a_100102657272_100000751805 [0,1,0,1,0,0|2,0,0]=4 421 B10R1.425 CNC(=O)C1(CC1)C(=O)N 527a_100102657272_100000751805 [0,1,0,1,0,0|2,0,0]=4 422 B10R1.425 COC(=O)C1(CC1)C(=O)C 1458a_100000062387_200000210301 [0,1,0,1,0,0|1,0,0]=3 423 B10R1.425 COC(=O)C1(CC1)C(=O)C 1458a_100000070787_100000698272 [0,1,0,1,0,0|1,0,0]=3 424 B10R1.425 COC(=O)C1(CC1)C(=O)[13CH3] 1458a_100000062387_200025704644 [0,1,0,1,0,0|1,0,0]=3 425 B10R1.425 NC(=O)C1(CC1)C(=O)CF 1458a_100000751805_100015361967 [0,1,0,1,0,0|2,0,0]=4 426 B10R1.425 NC(=O)C1(CC1)C(=O)CO 1458a_100000210174_100010760883 [0,1,0,1,0,0|1,0,0]=3 427 B10R1.187 CCNC1C(=O)CCC1=O 2230a_100015525214_100009820769 [0,1,0,1,0,0|2,0,0]=4 428 B10R1.187 CCOC1C(=O)COC1=O 34a_100121572206_100000032967 [0,1,0,1,0,0|1,0,0]=3 429 B10R1.187 CCSC1C(=O)CCC1=O 62a_100000210202_100009820769 [0,1,0,1,0,0|2,0,0]=4 430 B10R1.187 CCSC1C(=O)CCC1=O 62a_100009820769_100000210202 [0,1,0,1,0,0|2,0,0]=4 431 B10R1.187 CCSC1C(=O)COC1=O 62a_100000210202_100000032967 [0,1,0,1,0,0|1,0,0]=3 432 B10R1.187 O=C1COC(=O)C1SCF 62a_100015361967_100000032967 [0,1,0,1,0,0|2,0,0]=4 433 B10R1.364 CC(=O)C1(CCC1)C(=O)N 1458a_100000751621_200000210301 [0,1,0,1,0,0|2,0,0]=4 434 B10R1.364 [13CH3]C(=O)C1(CCC1)C(=O)N 1458a_100000751621_200025704644 [0,1,0,1,0,0|2,0,0]=4 435 B8R0.16 CC[C@@H](CO)NC(=O)C 240690a_100000709445_100015343762 [1,0,0,0,0,1|1,0,1]=4 436 B8R0.16 CC[C@@H](CO)NC(=O)C 527a_100000709445_100103153847 [1,0,0,0,0,1|1,0,1]=4 437 B8R0.16 CC[C@H](CC(=O)O)NC 269956a_100016995926_200000210301 [1,0,0,0,0,1|2,0,0]=4 438 B8R0.16 CC[C@H](CC(=O)O)N[13CH3] 269956a_100016995926_200025704644 [1,0,0,0,0,1|2,0,0]=4 439 B8R0.16 CN[C@H](CO)CC(=O)O 269956a_100009816507_200000210301 [1,0,0,0,0,1|1,0,1]=4 440 B8R0.16 [13CH3]N[C@H](CO)CC(=O)O 269956a_100009816507_200025704644 [1,0,0,0,0,1|1,0,1]=4 441 B8R0.23 CC(=O)N[C@H](C)C(=O)C 1458a_100011504603_200000210301 [1,0,0,0,0,1|2,0,0]=4 442 B8R0.23 CC(=O)N[C@H](C)C(=O)N 11a_100000119354_100015343762 [1,0,0,0,0,1|2,0,0]=4 443 B8R0.23 CC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100015343762 [1,0,0,0,0,1|2,0,0]=4 444 B8R0.23 CC(=O)N[C@H](C)C(=O)N 527a_100000119354_100103153847 [1,0,0,0,0,1|2,0,0]=4 445 B8R0.23 CC(=O)N[C@H](C)C(=O)[13CH3] 1458a_100011504603_200025704644 [1,0,0,0,0,1|2,0,0]=4 446 B8R0.23 CC(=O)OC(C)C(=O)C 1458a_100000070787_100009818208 [1,0,0,0,0,1|2,0,0]=4 447 B8R0.23 CC(=O)O[C@@H](C)C(=O)C 1458a_100009816467_200000210301 [1,0,0,0,0,1|2,0,0]=4 448 B8R0.23 CC(=O)O[C@@H](C)C(=O)[13CH3] 1458a_100009816467_200025704644 [1,0,0,0,0,1|2,0,0]=4 449 B10R0.70 CCN(CC(=O)N)CC(=O)O 269956a_100000746405_100000187820 [0,0,0,0,0,2|2,0,0]=4 450 B10R0.70 CCN(CC(=O)[O-])CC(=O)O 269956a_100000746405_100020667443 [0,0,0,0,0,2|1,0,1]=4 451 B10R0.84 C=C(C)CN[C@H](CC)C(=O)O 269956a_100000747097_100000748629 [0,0,0,0,0,2|2,0,0]=4 452 B10R0.84 C=C(F)CN[C@H](CC)C(=O)O 269956a_100000747097_100000042424 [0,0,0,0,0,2|2,0,0]=4 453 B10R0.84 CCC(NCC(=O)N)C(=O)N 2230a_100000711301_100000750255 [0,0,0,0,0,2|2,0,0]=4 454 B10R0.84 CCC(NCC(=O)N)C(=O)N 2230a_100000733705_100000747473 [0,0,0,0,0,2|2,0,0]=4 455 B10R0.84 CCC(NCC(=O)N)C(=O)N 34a_100000733705_100000187820 [0,0,0,0,0,2|2,0,0]=4 456 B10R0.84 CCC(NCC(=O)O)C(=O)N 269956a_100016091260_200011216081 [0,0,0,0,0,2|1,0,0]=3 457 B10R0.84 CCC(NCC(=O)[O-])C(=O)N 34a_100000733705_100020667443 [0,0,0,0,0,2|1,0,1]=4 458 B10R0.84 CCC(OCC(=O)C)C(=O)N 34a_100000211253_100000750255 [0,0,0,0,0,2|2,0,0]=4 459 B10R0.84 CCC(SCC(=O)N)C(=O)N 62a_100000747473_100000750255 [0,0,0,0,0,2|2,0,0]=4 460 B10R0.84 CCC(SCC(=O)N)C(=O)N 62a_100000750255_100000747473 [0,0,0,0,0,2|2,0,0]=4 461 B10R0.84 CCC(SCC(=O)[O-])C(=O)N 62a_100000750255_100020667443 [0,0,0,0,0,2|1,0,1]=4 462 B10R0.84 CCC(SCC(=O)[O-])C(=O)N 62a_100020667443_100000750255 [0,0,0,0,0,2|1,0,1]=4 463 B10R0.84 CC[C@@H](NCC(=O)N)C(=O)O 269956a_100000747097_100000187820 [0,0,0,0,0,2|1,0,0]=3 464 B10R0.84 CC[C@@H](NCC(=O)[O-])C(=O)O 269956a_100000747097_100020667443 [0,0,0,0,0,2|0,0,1]=3 465 B10R0.84 CC[C@@H](NCC(C)O)C(=O)O 269956a_100000747097_100011218427 [0,0,0,0,0,2|1,0,1]=4 466 B10R0.84 CC[C@@H](NC[C@@H](C)O)C(=O)O 269956a_100000747097_100009817552 [0,0,0,0,0,2|1,0,1]=4 467 B10R0.84 CC[C@@H](NC[N+](=O)[O-])C(=O)O 269956a_100000747097_100000761209 [0,0,0,0,0,2|1,0,1]=4 468 B10R0.84 NC(=O)CNC(CO)C(=O)O 269956a_100000187304_100000187820 [0,0,0,0,0,2|2,0,0]=4 469 B10R0.84 O=C([O-])CNC(CO)C(=O)O 269956a_100000187304_100020667443 [0,0,0,0,0,2|1,0,1]=4