0 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.3 C=C(Br)C(=O)NC 11a_106832991635_100009813364 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.3 C=C(Br)C(=O)NC 1626a_100102657272_100009813364 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.3 C=C(Cl)C(=O)NC 11a_106832991635_100000039160 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.3 C=C(Cl)C(=O)NC 1626a_100102657272_100000039160 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.3 C=C(F)C(=O)NC 11a_106832991635_100000036797 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.3 C=C(F)C(=O)NC 1626a_100102657272_100000036797 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,0,0,0,0,0|2,0,2]=4 14 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,0,0,0,0,0|2,0,2]=4 16 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,0,0,0,0,0|2,0,2]=4 17 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [0,0,0,0,0,0|2,0,2]=4 18 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,0,0,0,0,0|2,0,2]=4 21 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,0,0,0,0,0|2,0,2]=4 23 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,0,0,0,0,0|3,0,1]=4 24 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,0,0,0,0,0|3,0,1]=4 25 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,0,0,0,0,0|3,0,1]=4 26 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,0,0,0,0,0|3,0,1]=4 27 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,0,0,0,0,0|3,0,1]=4 28 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,0,0,0,0,0|2,0,0]=2 30 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [0,0,0,0,0,0|2,0,0]=2 31 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,0,0,0,0,0|2,0,0]=2 32 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [0,0,0,0,0,0|3,0,1]=4 33 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [0,0,0,0,0,0|3,0,1]=4 34 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [0,0,0,0,0,0|3,0,1]=4 35 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [0,0,0,0,0,0|3,0,1]=4 36 B6R0.3 CNC(=O)C(C)F 11a_106832991635_100000062450 [0,0,0,0,0,0|3,0,1]=4 37 B6R0.3 CNC(=O)C(C)F 1626a_100102657272_100000062450 [0,0,0,0,0,0|3,0,1]=4 38 B6R0.3 CNC(=O)C(C)F 240690a_100102657272_100000062450 [0,0,0,0,0,0|3,0,1]=4 39 B6R0.3 CNC(=O)C(C)F 527a_100102657272_100000062450 [0,0,0,0,0,0|3,0,1]=4 40 B6R0.3 CNC(=O)C(F)F 11a_106832991635_100000210393 [0,0,0,0,0,0|3,0,1]=4 41 B6R0.3 CNC(=O)C(F)F 1626a_100102657272_100000210393 [0,0,0,0,0,0|3,0,1]=4 42 B6R0.3 CNC(=O)C(F)F 240690a_100102657272_100000210393 [0,0,0,0,0,0|3,0,1]=4 43 B6R0.3 CNC(=O)C(F)F 527a_100102657272_100000210393 [0,0,0,0,0,0|3,0,1]=4 44 B6R0.3 CNC(=O)C(O)O 240690a_100102657272_100000233687 [0,0,0,0,0,0|1,0,2]=3 45 B6R0.3 CNC(=O)N(C)C 2708a_100102657272_100102631434 [0,0,0,0,0,0|4,0,0]=4 46 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [0,0,0,0,0,0|2,0,1]=3 47 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [0,0,0,0,0,0|2,0,1]=3 48 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [0,0,0,0,0,0|2,0,1]=3 49 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,0,0,0,0,0|1,0,2]=3 50 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,0,0,0,0,0|1,0,2]=3 51 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,0,0,0,0,0|1,0,2]=3 52 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,0,0,0,0,0|1,0,2]=3 53 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,0,0,0,0,0|1,0,2]=3 54 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [0,0,0,0,0,0|2,0,1]=3 55 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [0,0,0,0,0,0|2,0,1]=3 56 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [0,0,0,0,0,0|2,0,1]=3 57 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [0,0,0,0,0,0|1,0,2]=3 58 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,0,0,0,0,0|0,0,2]=2 59 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,0,0,0,0,0|1,0,2]=3 60 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,0,0,0,0,0|1,0,2]=3 61 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,0,0,0,0,0|2,0,2]=4 62 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,0,0,0,0,0|2,0,2]=4 63 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,0,0,0,0,0|2,0,2]=4 64 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,0,0,0,0,0|2,0,2]=4 65 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [0,0,0,0,0,0|3,0,1]=4 66 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [0,0,0,0,0,0|2,0,2]=4 67 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [0,0,0,0,0,0|1,0,3]=4 68 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,0,0,0,0,0|2,0,2]=4 69 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,0,0,0,0,0|2,0,2]=4 70 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,0,0,0,0,0|2,0,2]=4 71 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,0,0,0,0,0|2,0,2]=4 72 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,0,0,0,0,0|2,0,2]=4 73 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,0,0,0,0,0|2,0,2]=4 74 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,0,0,0,0,0|2,0,2]=4 75 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,0,0,0,0,0|2,0,2]=4 76 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [0,0,0,0,0,0|3,0,1]=4 77 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [0,0,0,0,0,0|3,0,1]=4 78 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [0,0,0,0,0,0|2,0,2]=4 79 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [0,0,0,0,0,0|2,0,2]=4 80 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,0,0,0,0,0|1,0,2]=3 81 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,0,0,0,0,0|1,0,2]=3 82 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,0,0,0,0,0|2,0,2]=4 83 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,0,0,0,0,0|2,0,2]=4 84 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,0,0,0,0,0|0,0,2]=2 85 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [0,0,0,0,0,0|1,0,3]=4 86 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [0,0,0,0,0,0|3,0,1]=4 87 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [0,0,0,0,0,0|3,0,1]=4 88 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [0,0,0,0,0,0|2,0,2]=4 89 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [0,0,0,0,0,0|2,0,2]=4 90 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [1,0,0,0,0,0|2,0,1]=4 91 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [1,0,0,0,0,0|2,0,1]=4 92 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [1,0,0,0,0,0|2,0,1]=4 93 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [1,0,0,0,0,0|2,0,1]=4 94 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [1,0,0,0,0,0|2,0,1]=4 95 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [1,0,0,0,0,0|2,0,1]=4 96 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [1,0,0,0,0,0|2,0,1]=4 97 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [1,0,0,0,0,0|2,0,1]=4 98 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [1,0,0,0,0,0|3,0,0]=4 99 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [1,0,0,0,0,0|3,0,0]=4 100 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [1,0,0,0,0,0|3,0,0]=4 101 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,0,0,0,0,0|2,0,1]=4 102 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [1,0,0,0,0,0|1,0,2]=4 103 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [1,0,0,0,0,0|1,0,2]=4 104 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,0,0,0,0|2,0,0]=3 105 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,0,0,0,0|2,0,0]=3 106 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,0,0,0,0|2,0,1]=4 107 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,0,0,0,0|2,0,1]=4 108 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,0,0,0,0|2,0,1]=4 109 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,0,0,0,0,0|3,0,0]=4 110 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,0,0,0,0,0|3,0,0]=4 111 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,0,0,0,0,0|3,0,0]=4 112 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [1,0,0,0,0,0|1,0,1]=3 113 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [1,0,0,0,0,0|1,0,1]=3 114 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [1,0,0,0,0,0|1,0,1]=3 115 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [1,0,0,0,0,0|1,0,1]=3 116 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,0,0,0,0,0|0,0,1]=2 117 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [1,0,0,0,0,0|0,0,2]=3 118 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [1,0,0,0,0,0|1,0,2]=4 119 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [1,0,0,0,0,0|1,0,2]=4 120 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [1,0,0,0,0,0|1,0,2]=4 121 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [1,0,0,0,0,0|1,0,2]=4 122 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [1,0,0,0,0,0|1,0,2]=4 123 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [1,0,0,0,0,0|1,0,2]=4 124 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [1,0,0,0,0,0|1,0,2]=4 125 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [1,0,0,0,0,0|1,0,2]=4 126 B5R0.1 CNC[N+](=O)[O-] 34a_100102657272_100000761209 [1,0,0,0,0,0|1,0,2]=4 127 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [1,0,0,0,0,0|2,0,0]=3 128 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,0,0,0,0,0|2,0,1]=4 129 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,0,0,0,0,0|2,0,1]=4 130 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,0,0,0,0,0|2,0,1]=4 131 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,0,0,0,0,0|2,0,1]=4 132 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [1,0,0,0,0,0|1,0,2]=4 133 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,0,0,0,0,0|2,0,1]=4 134 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [1,0,0,0,0,0|2,0,1]=4 135 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [1,0,0,0,0,0|2,0,1]=4 136 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,0,0,0,0,0|2,0,1]=4 137 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [1,0,0,0,0,0|1,0,2]=4 138 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [1,0,0,0,0,0|1,0,2]=4 139 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [1,0,0,0,0,0|3,0,0]=4 140 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [1,0,0,0,0,0|3,0,0]=4 141 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [1,0,0,0,0,0|3,0,0]=4 142 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [1,0,0,0,0,0|1,0,1]=3 143 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,0,0,0,0,0|0,0,1]=2 144 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [1,0,0,0,0,0|2,0,1]=4 145 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [1,0,0,0,0,0|2,0,1]=4 146 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [1,0,0,0,0,0|1,0,2]=4 147 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [1,0,0,0,0,0|1,0,2]=4 148 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,0,0,0,0,0|3,0,0]=4 149 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [1,0,0,0,0,0|2,0,0]=3 150 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [1,0,0,0,0,0|2,0,0]=3 151 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,0,0,0,0,0|2,0,1]=4 152 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,0,0,0,0,0|2,0,1]=4 153 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,0,0,0,0,0|2,0,1]=4 154 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,0,0,0,0,0|2,0,1]=4 155 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,0,0,0,0,0|2,0,1]=4 156 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [1,0,0,0,0,0|1,0,1]=3 157 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [1,0,0,0,0,0|1,0,1]=3 158 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [1,0,0,0,0,0|3,0,0]=4 159 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [1,0,0,0,0,0|3,0,0]=4 160 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [1,0,0,0,0,0|3,0,0]=4 161 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [1,0,0,0,0,0|0,0,3]=4 162 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [1,0,0,0,0,0|0,0,3]=4 163 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [1,0,0,0,0,0|0,0,3]=4 164 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [1,0,0,0,0,0|0,0,3]=4 165 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [1,0,0,0,0,0|0,0,3]=4 166 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [1,0,0,0,0,0|1,0,0]=2 167 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [1,0,0,0,0,0|1,0,0]=2 168 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,0,0,0,0,0|1,0,2]=4 169 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,0,0,0,0,0|1,0,2]=4 170 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,0,0,0,0,0|2,0,1]=4 171 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [1,0,0,0,0,0|1,0,2]=4 172 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [1,0,0,0,0,0|2,0,1]=4 173 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [1,0,0,0,0,0|2,0,1]=4 174 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [1,0,0,0,0,0|2,0,1]=4 175 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [1,0,0,0,0,0|2,0,1]=4 176 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,0,0,0,0,0|2,0,1]=4 177 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,0,0,0,0,0|2,0,1]=4 178 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,0,0,0,0,0|1,0,2]=4 179 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,0,0,0,0,0|2,0,1]=4 180 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,0,0,0,0,0|2,0,1]=4 181 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,0,0,0,0,0|2,0,1]=4 182 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [1,0,0,0,0,0|1,0,2]=4 183 B7R0.5 C=C(Br)C(=O)NCC 11a_100015525214_100009813364 [0,1,0,0,0,0|3,0,0]=4 184 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [0,1,0,0,0,0|3,0,0]=4 185 B7R0.5 C=C(C)C(=O)NNC 22a_100016993582_100000185857 [0,1,0,0,0,0|3,0,0]=4 186 B7R0.5 C=C(Cl)C(=O)NCC 11a_100015525214_100000039160 [0,1,0,0,0,0|3,0,0]=4 187 B7R0.5 C=C(Cl)C(=O)NNC 22a_100016993582_100000039160 [0,1,0,0,0,0|3,0,0]=4 188 B7R0.5 C=C(F)C(=O)NCC 11a_100015525214_100000036797 [0,1,0,0,0,0|3,0,0]=4 189 B7R0.5 C=C(F)C(=O)NNC 22a_100016993582_100000036797 [0,1,0,0,0,0|3,0,0]=4 190 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,1,0,0,0,0|3,0,0]=4 191 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,1,0,0,0,0|3,0,0]=4 192 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [0,1,0,0,0,0|0,0,2]=3 193 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,1,0,0,0,0|2,0,1]=4 194 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,1,0,0,0,0|2,0,1]=4 195 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,1,0,0,0,0|2,0,0]=3 196 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [0,1,0,0,0,0|2,0,0]=3 197 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,1,0,0,0,0|2,0,0]=3 198 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [0,1,0,0,0,0|1,0,2]=4 199 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [0,1,0,0,0,0|2,0,1]=4 200 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [0,1,0,0,0,0|2,0,1]=4 201 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [0,1,0,0,0,0|1,0,2]=4 202 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [0,1,0,0,0,0|1,0,2]=4 203 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [0,1,0,0,0,0|2,0,1]=4 204 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [0,1,0,0,0,0|0,0,2]=3 205 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [0,1,0,0,0,0|1,0,2]=4 206 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [0,1,0,0,0,0|1,0,2]=4 207 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,1,0,0,0,0|2,0,0]=3 208 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [0,1,0,0,0,0|0,0,2]=3 209 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [0,1,0,0,0,0|1,0,1]=3 210 B7R0.5 CNNC(=O)C(=O)N 22a_100016993582_100011215815 [0,1,0,0,0,0|2,0,0]=3 211 B7R0.5 CNNC(=O)C(O)O 22a_100016993582_100000233687 [0,1,0,0,0,0|1,0,2]=4 212 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [0,1,0,0,0,0|2,0,1]=4 213 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [0,1,0,0,0,0|2,0,1]=4 214 B7R0.5 CO/N=C(\C)/C(=O)C 1458a_100160996864_200000210301 [0,1,0,0,0,0|1,0,2]=4 215 B7R0.5 CO/N=C(\C)/C(=O)[13CH3] 1458a_100160996864_200025704644 [0,1,0,0,0,0|1,0,2]=4 216 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,1,0,0,0,0|3,0,0]=4 217 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,1,0,0,0,0|3,0,0]=4 218 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,1,0,0,0,0|3,0,0]=4 219 B7R0.5 C[C@@H](NCF)C(=O)N 34a_100000119354_100015361967 [0,1,0,0,0,0|1,0,2]=4 220 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [0,1,0,0,0,0|0,0,2]=3 221 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [0,1,0,0,0,0|1,0,1]=3 222 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,1,0,0,0,0|2,0,1]=4 223 B7R0.10 C/C=C(\C)/C(=O)CF 1458a_100020587367_100015361967 [0,1,0,0,0,0|2,0,1]=4 224 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [0,1,0,0,0,0|2,0,1]=4 225 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [0,1,0,0,0,0|2,0,1]=4 226 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [0,1,0,0,0,0|2,0,0]=3 227 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [0,1,0,0,0,0|1,0,2]=4 228 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [0,1,0,0,0,0|1,0,2]=4 229 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,1,0,0,0,0|1,0,2]=4 230 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [0,1,0,0,0,0|2,0,1]=4 231 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [0,1,0,0,0,0|2,0,1]=4 232 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [0,1,0,0,0,0|2,0,1]=4 233 B7R0.10 CNC(=O)C(=O)CF 1458a_100011218921_100015361967 [0,1,0,0,0,0|2,0,0]=3 234 B7R0.10 CNC(=O)C(=O)NC 1626a_100102657272_100011218921 [0,1,0,0,0,0|2,0,0]=3 235 B7R0.10 CNC(=O)C(=O)NC 240690a_100102657272_100011218921 [0,1,0,0,0,0|2,0,0]=3 236 B7R0.10 CNC(=O)C(=O)NC 527a_100102657272_100011218921 [0,1,0,0,0,0|2,0,0]=3 237 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [0,1,0,0,0,0|1,0,0]=2 238 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [0,1,0,0,0,0|1,0,0]=2 239 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [0,1,0,0,0,0|1,0,0]=2 240 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [0,1,0,0,0,0|1,0,0]=2 241 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [0,1,0,0,0,0|1,0,2]=4 242 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [0,1,0,0,0,0|1,0,2]=4 243 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [0,1,0,0,0,0|1,0,2]=4 244 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [0,1,0,0,0,0|2,0,1]=4 245 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [0,1,0,0,0,0|2,0,1]=4 246 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [0,1,0,0,0,0|2,0,1]=4 247 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [0,1,0,0,0,0|2,0,1]=4 248 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [0,1,0,0,0,0|2,0,1]=4 249 B7R0.10 CNC(=O)C(F)NC 2230a_106832991635_100009813575 [0,1,0,0,0,0|2,0,1]=4 250 B7R0.10 CNC(=O)C(F)NC 34a_100102657272_100009813575 [0,1,0,0,0,0|2,0,1]=4 251 B7R0.10 CNC(=O)C(F)NC 7a_106832991635_100009813575 [0,1,0,0,0,0|2,0,1]=4 252 B7R0.10 CNC(=O)C(F)OC 34a_100138415774_100009813575 [0,1,0,0,0,0|2,0,1]=4 253 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [0,1,0,0,0,0|1,0,2]=4 254 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [0,1,0,0,0,0|1,0,2]=4 255 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [0,1,0,0,0,0|1,0,2]=4 256 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [0,1,0,0,0,0|1,0,2]=4 257 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [0,1,0,0,0,0|1,0,2]=4 258 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [0,1,0,0,0,0|0,0,2]=3 259 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [0,1,0,0,0,0|0,0,2]=3 260 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [0,1,0,0,0,0|0,0,2]=3 261 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [0,1,0,0,0,0|1,0,2]=4 262 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [0,1,0,0,0,0|1,0,2]=4 263 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [0,1,0,0,0,0|1,0,2]=4 264 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [0,1,0,0,0,0|1,0,2]=4 265 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [0,1,0,0,0,0|1,0,2]=4 266 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [0,1,0,0,0,0|1,0,2]=4 267 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [0,1,0,0,0,0|1,0,2]=4 268 B7R0.13 CC(C)(N[13CH3])C(=O)N 2230a_100000743658_200025704644 [0,1,0,0,0,0|1,0,2]=4 269 B7R0.13 CC(C)(N[13CH3])C(=O)N 34a_100000743658_200025704644 [0,1,0,0,0,0|1,0,2]=4 270 B7R0.13 CNC(C)(C)C(=O)C 7a_106832991635_100000075568 [0,1,0,0,0,0|1,0,2]=4 271 B7R0.13 CNC(C)(C)C(=O)N 2230a_100000743658_200000210301 [0,1,0,0,0,0|1,0,2]=4 272 B7R0.13 CNC(C)(C)C(=O)N 2230a_106832991635_100000702505 [0,1,0,0,0,0|1,0,2]=4 273 B7R0.13 CNC(C)(C)C(=O)N 34a_100000743658_200000210301 [0,1,0,0,0,0|1,0,2]=4 274 B7R0.13 CNC(C)(C)C(=O)N 34a_100102657272_100000702505 [0,1,0,0,0,0|1,0,2]=4 275 B7R0.13 CNC(C)(C)C(=O)N 7a_106832991635_100000702505 [0,1,0,0,0,0|1,0,2]=4 276 B7R0.13 CNC(F)(F)C(=O)N 7a_106832991635_100009811971 [0,1,0,0,0,0|2,0,1]=4 277 B7R0.13 CNC(F)(F)C(=O)[O-] 34a_100102657272_100020612412 [0,1,0,0,0,0|1,0,2]=4 278 B7R0.14 CNC(=O)C(C)(C)O 240690a_100102657272_100000242741 [0,1,0,0,0,0|2,0,1]=4 279 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [0,1,0,0,0,0|0,0,1]=2 280 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [0,1,0,0,0,0|0,0,1]=2 281 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [0,1,0,0,0,0|1,0,2]=4 282 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [0,1,0,0,0,0|1,0,2]=4 283 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [0,1,0,0,0,0|1,0,2]=4 284 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [0,1,0,0,0,0|1,0,2]=4 285 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [0,1,0,0,0,0|1,0,2]=4 286 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [0,1,0,0,0,0|1,0,2]=4 287 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [0,1,0,0,0,0|1,0,2]=4 288 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [0,1,0,0,0,0|0,0,2]=3 289 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [0,1,0,0,0,0|0,0,2]=3 290 B7R0.15 CNC(C#N)C(=O)N 2230a_100000039599_200000210301 [0,1,0,0,0,0|1,0,2]=4 291 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [0,1,0,0,0,0|0,0,2]=3 292 B7R0.15 CN[C@@H](CO)C(=O)N 2230a_100000729942_200000210301 [0,1,0,0,0,0|1,0,2]=4 293 B7R0.15 CN[C@@H](CO)C(=O)N 34a_100000729942_200000210301 [0,1,0,0,0,0|1,0,2]=4 294 B7R0.15 [13CH3]NC(C#N)C(=O)N 2230a_100000039599_200025704644 [0,1,0,0,0,0|1,0,2]=4 295 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [0,1,0,0,0,0|0,0,2]=3 296 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 2230a_100000729942_200025704644 [0,1,0,0,0,0|1,0,2]=4 297 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 34a_100000729942_200025704644 [0,1,0,0,0,0|1,0,2]=4 298 B7R0.16 C=C(Br)C(=O)N(C)C 11a_100102631434_100009813364 [0,1,0,0,0,0|3,0,0]=4 299 B7R0.16 C=C(Br)C(=O)N(C)C 1626a_100102631434_100009813364 [0,1,0,0,0,0|3,0,0]=4 300 B7R0.16 C=C(C)C(=O)N(C)C 11a_100102631434_100000185857 [0,1,0,0,0,0|3,0,0]=4 301 B7R0.16 C=C(C)C(=O)N(C)C 1626a_100102631434_100000185857 [0,1,0,0,0,0|3,0,0]=4 302 B7R0.16 C=C(Cl)C(=O)N(C)C 11a_100102631434_100000039160 [0,1,0,0,0,0|3,0,0]=4 303 B7R0.16 C=C(Cl)C(=O)N(C)C 1626a_100102631434_100000039160 [0,1,0,0,0,0|3,0,0]=4 304 B7R0.16 C=C(F)C(=O)N(C)C 11a_100102631434_100000036797 [0,1,0,0,0,0|3,0,0]=4 305 B7R0.16 C=C(F)C(=O)N(C)C 1626a_100102631434_100000036797 [0,1,0,0,0,0|3,0,0]=4 306 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [0,1,0,0,0,0|2,0,0]=3 307 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [0,1,0,0,0,0|1,0,2]=4 308 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [0,1,0,0,0,0|1,0,2]=4 309 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [0,1,0,0,0,0|1,0,2]=4 310 B7R0.16 CC(C(=O)N)N(C)C 2230a_100102631434_100000702099 [0,1,0,0,0,0|1,0,2]=4 311 B7R0.16 CC(C(=O)N)N(C)C 269982a_100102631434_100000184083 [0,1,0,0,0,0|1,0,2]=4 312 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [0,1,0,0,0,0|0,0,2]=3 313 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [0,1,0,0,0,0|0,0,2]=3 314 B7R0.16 CN(C)C(=O)C(=O)N 240690a_100102631434_100011215815 [0,1,0,0,0,0|2,0,0]=3 315 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [0,1,0,0,0,0|2,0,0]=3 316 B7R0.16 CN(C)C(=O)C(O)O 240690a_100102631434_100000233687 [0,1,0,0,0,0|1,0,2]=4 317 B7R0.16 CN(C)C(F)C(=O)N 2230a_100102631434_100009813875 [0,1,0,0,0,0|2,0,1]=4 318 B7R0.16 CN(C)C(F)C(=O)N 269982a_100102631434_100009813875 [0,1,0,0,0,0|2,0,1]=4 319 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [0,1,0,0,0,0|1,0,2]=4 320 B7R0.16 C[C@@H](O)C(=O)N(C)C 240690a_100102631434_100000717761 [0,1,0,0,0,0|2,0,1]=4 321 B7R0.16 C[C@H](O)C(=O)N(C)C 1626a_100102631434_217856618621 [0,1,0,0,0,0|2,0,1]=4 322 B7R0.16 C[C@H](O)C(=O)N(C)C 240690a_100102631434_217856618621 [0,1,0,0,0,0|2,0,1]=4 323 B7R1.4 Cc1[nH]cnc1O 271570a_203496583355_100009816806 [0,0,0,1,0,0|1,0,2]=4 324 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [0,0,0,1,0,0|1,0,2]=4 325 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [0,0,0,1,0,0|1,0,2]=4 326 B7R1.22 CNC(=O)C1CO1 11a_106832991635_100000701028 [0,0,0,1,0,0|2,0,1]=4 327 B7R1.22 CNC(=O)C1CO1 1626a_100102657272_100000701028 [0,0,0,1,0,0|2,0,1]=4 328 B7R1.22 CNC(=O)C1CO1 240690a_100102657272_100000701028 [0,0,0,1,0,0|2,0,1]=4 329 B7R1.22 CNC(=O)C1CO1 527a_100102657272_100000701028 [0,0,0,1,0,0|2,0,1]=4 330 B7R0.2 C=C(C#N)CC(=O)C 1458a_100000070787_100000694840 [0,0,0,0,0,1|3,0,0]=4 331 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,0,0,0,0,1|2,0,1]=4 332 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,0,0,0,0,1|2,0,1]=4 333 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,0,0,0,0,1|3,0,0]=4 334 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,0,0,0,0,1|3,0,0]=4 335 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,0,0,0,0,1|3,0,0]=4 336 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,0,0,0,0,1|2,0,1]=4 337 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [0,0,0,0,0,1|2,0,1]=4 338 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [0,0,0,0,0,1|2,0,1]=4 339 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [0,0,0,0,0,1|2,0,1]=4 340 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [0,0,0,0,0,1|3,0,0]=4 341 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [0,0,0,0,0,1|3,0,0]=4 342 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [0,0,0,0,0,1|3,0,0]=4 343 B7R0.2 CNC(=O)C=C(C)Cl 11a_106832991635_200042562850 [0,0,0,0,0,1|3,0,0]=4 344 B7R0.2 CNC(=O)C=C(C)Cl 1626a_100102657272_200042562850 [0,0,0,0,0,1|3,0,0]=4 345 B7R0.2 CNC(=O)C=C(C)Cl 240690a_100102657272_200042562850 [0,0,0,0,0,1|3,0,0]=4 346 B7R0.2 CNC(=O)C=C(C)I 11a_106832991635_100025716642 [0,0,0,0,0,1|3,0,0]=4 347 B7R0.2 CNC(=O)C=C(C)I 1626a_100102657272_100025716642 [0,0,0,0,0,1|3,0,0]=4 348 B7R0.2 CNC(=O)C=C(Cl)Cl 1626a_100102657272_100000137448 [0,0,0,0,0,1|3,0,0]=4 349 B7R0.2 CNC(=O)C=C(Cl)Cl 240690a_100102657272_100000137448 [0,0,0,0,0,1|3,0,0]=4 350 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,0,0,0,0,1|2,0,0]=3 351 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [0,0,0,0,0,1|2,0,0]=3 352 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [0,0,0,0,0,1|2,0,0]=3 353 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [0,0,0,0,0,1|2,0,1]=4 354 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,0,0,0,0,1|3,0,0]=4 355 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,0,0,0,0,1|3,0,0]=4 356 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,0,0,0,0,1|3,0,0]=4 357 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [2,0,0,0,0,0|1,0,0]=3 358 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [2,0,0,0,0,0|1,0,0]=3 359 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [2,0,0,0,0,0|1,0,1]=4 360 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [2,0,0,0,0,0|1,0,1]=4 361 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [2,0,0,0,0,0|1,0,1]=4 362 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [2,0,0,0,0,0|1,0,1]=4 363 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [2,0,0,0,0,0|0,0,1]=3 364 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [2,0,0,0,0,0|0,0,1]=3 365 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [2,0,0,0,0,0|0,0,1]=3 366 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [2,0,0,0,0,0|0,0,1]=3 367 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [2,0,0,0,0,0|1,0,1]=4 368 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [2,0,0,0,0,0|1,0,1]=4 369 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [2,0,0,0,0,0|1,0,1]=4 370 B4R0.2 C=CCNC 34a_100102657272_100015514636 [2,0,0,0,0,0|1,0,1]=4 371 B4R0.2 C=CCNC 7a_106832991635_100015514636 [2,0,0,0,0,0|1,0,1]=4 372 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [2,0,0,0,0,0|1,0,1]=4 373 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [2,0,0,0,0,0|0,0,1]=3 374 B4R0.2 CNCC=O 34a_100102657272_200009817547 [2,0,0,0,0,0|0,0,1]=3 375 B4R0.2 CNCC=O 7a_106832991635_200015260668 [2,0,0,0,0,0|0,0,1]=3 376 B4R0.2 CNCCO 2230a_100016997473_200000210301 [2,0,0,0,0,0|0,0,2]=4 377 B4R0.2 CNCCO 2230a_106832991635_100000211926 [2,0,0,0,0,0|0,0,2]=4 378 B4R0.2 CNCCO 34a_100016990907_200000210301 [2,0,0,0,0,0|0,0,2]=4 379 B4R0.2 CNCCO 34a_100102657272_100000211926 [2,0,0,0,0,0|0,0,2]=4 380 B4R0.2 CNCCO 7a_106832991635_100000211926 [2,0,0,0,0,0|0,0,2]=4 381 B4R0.2 COCC=O 34a_100138415774_200009817547 [2,0,0,0,0,0|1,0,1]=4 382 B4R0.2 CSCC=O 62a_200000210301_200015260668 [2,0,0,0,0,0|1,0,1]=4 383 B4R0.2 CSCC=O 62a_200015260668_200000210301 [2,0,0,0,0,0|1,0,1]=4 384 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [2,0,0,0,0,0|0,0,2]=4 385 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [2,0,0,0,0,0|0,0,2]=4 386 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [2,0,0,0,0,0|1,0,1]=4 387 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [2,0,0,0,0,0|1,0,1]=4 388 B6R0.1 C=CC(=O)NNC 22a_100016993582_100000185746 [1,1,0,0,0,0|2,0,0]=4 389 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,1,0,0,0,0|2,0,0]=4 390 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [1,1,0,0,0,0|2,0,0]=4 391 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [1,1,0,0,0,0|2,0,0]=4 392 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [1,1,0,0,0,0|2,0,0]=4 393 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [1,1,0,0,0,0|2,0,0]=4 394 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [1,1,0,0,0,0|1,0,1]=4 395 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [1,1,0,0,0,0|2,0,0]=4 396 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,1,0,0,0,0|1,0,1]=4 397 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,1,0,0,0,0|2,0,0]=4 398 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,1,0,0,0,0|2,0,0]=4 399 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [1,1,0,0,0,0|1,0,1]=4 400 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [1,1,0,0,0,0|1,0,1]=4 401 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [1,1,0,0,0,0|1,0,1]=4 402 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [1,1,0,0,0,0|1,0,1]=4 403 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [1,1,0,0,0,0|1,0,1]=4 404 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [1,1,0,0,0,0|0,0,1]=3 405 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [1,1,0,0,0,0|0,0,1]=3 406 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [1,1,0,0,0,0|0,0,1]=3 407 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [1,1,0,0,0,0|1,0,0]=3 408 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [1,1,0,0,0,0|2,0,0]=4 409 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [1,1,0,0,0,0|2,0,0]=4 410 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [1,1,0,0,0,0|2,0,0]=4 411 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [1,1,0,0,0,0|1,0,1]=4 412 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [1,1,0,0,0,0|1,0,1]=4 413 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [1,1,0,0,0,0|1,0,1]=4 414 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [1,1,0,0,0,0|1,0,1]=4 415 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [1,1,0,0,0,0|1,0,1]=4 416 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [1,1,0,0,0,0|2,0,0]=4 417 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [1,1,0,0,0,0|2,0,0]=4 418 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [1,1,0,0,0,0|2,0,0]=4 419 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [1,1,0,0,0,0|2,0,0]=4 420 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [1,1,0,0,0,0|2,0,0]=4 421 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [1,1,0,0,0,0|2,0,0]=4 422 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [1,1,0,0,0,0|1,0,1]=4 423 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [1,1,0,0,0,0|1,0,1]=4 424 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [1,1,0,0,0,0|1,0,1]=4 425 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [1,1,0,0,0,0|1,0,1]=4 426 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [1,1,0,0,0,0|0,0,1]=3 427 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [1,1,0,0,0,0|1,0,1]=4 428 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [1,1,0,0,0,0|0,0,2]=4 429 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [1,1,0,0,0,0|1,0,1]=4 430 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [1,1,0,0,0,0|0,0,1]=3 431 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,1,0,0,0,0|2,0,0]=4 432 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [1,1,0,0,0,0|2,0,0]=4 433 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,1,0,0,0,0|2,0,0]=4 434 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,1,0,0,0,0|2,0,0]=4 435 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,1,0,0,0,0|2,0,0]=4 436 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,1,0,0,0,0|2,0,0]=4 437 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,1,0,0,0,0|2,0,0]=4 438 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,1,0,0,0,0|1,0,1]=4 439 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,1,0,0,0,0|1,0,1]=4 440 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,1,0,0,0,0|0,0,1]=3 441 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,1,0,0,0,0|2,0,0]=4 442 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [1,1,0,0,0,0|2,0,0]=4 443 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [1,1,0,0,0,0|2,0,0]=4 444 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [1,1,0,0,0,0|2,0,0]=4 445 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [1,1,0,0,0,0|2,0,0]=4 446 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,1,0,0,0,0|1,0,1]=4 447 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,1,0,0,0,0|1,0,1]=4 448 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,1,0,0,0,0|1,0,1]=4 449 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,1,0,0,0,0|1,0,1]=4 450 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,1,0,0,0,0|1,0,1]=4 451 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,1,0,0,0,0|0,0,1]=3 452 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,1,0,0,0,0|2,0,0]=4 453 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,1,0,0,0,0|2,0,0]=4 454 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [1,1,0,0,0,0|0,0,1]=3 455 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,1,0,0,0,0|0,0,1]=3 456 B6R0.9 C=C[C@@H](CO)NC 2230a_100016989147_200000210301 [1,1,0,0,0,0|0,0,2]=4 457 B6R0.9 C=C[C@@H](CO)NC 34a_100016989147_200000210301 [1,1,0,0,0,0|0,0,2]=4 458 B6R0.9 C=C[C@@H](CO)N[13CH3] 2230a_100016989147_200025704644 [1,1,0,0,0,0|0,0,2]=4 459 B6R0.9 C=C[C@@H](CO)N[13CH3] 34a_100016989147_200025704644 [1,1,0,0,0,0|0,0,2]=4 460 B6R0.9 CNC(C=O)C=O 2230a_106832991635_100000736813 [1,1,0,0,0,0|0,0,1]=3 461 B6R0.9 CNC(C=O)C=O 34a_100102657272_100000736813 [1,1,0,0,0,0|0,0,1]=3 462 B6R0.9 COC(C=O)C=O 34a_100138415774_100000736813 [1,1,0,0,0,0|1,0,1]=4 463 B6R0.9 CSC(C=O)C=O 62a_100000736813_200000210301 [1,1,0,0,0,0|1,0,1]=4 464 B6R0.9 CSC(C=O)C=O 62a_200000210301_100000736813 [1,1,0,0,0,0|1,0,1]=4 465 B6R0.9 [13CH3]SC(C=O)C=O 62a_100000736813_200025704644 [1,1,0,0,0,0|1,0,1]=4 466 B6R0.9 [13CH3]SC(C=O)C=O 62a_200025704644_100000736813 [1,1,0,0,0,0|1,0,1]=4 467 B8R0.2 CNC(=O)C(C)C(=O)C 1458a_100000070787_100000209862 [0,1,0,0,0,1|2,0,0]=4 468 B8R0.2 CNC(=O)C(F)C(=O)C 1458a_100000070787_100009813575 [0,1,0,0,0,1|2,0,0]=4 469 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,1,0,0,0,1|2,0,0]=4 470 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,1,0,0,0,1|2,0,0]=4 471 B8R0.5 CC(=O)CC(=O)NCO 1458a_100000070787_100000185155 [0,1,0,0,0,1|2,0,0]=4 472 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [0,1,0,0,0,1|2,0,0]=4 473 B8R0.5 CCNC(=O)CC(=O)N 240690a_100015525214_100134613110 [0,1,0,0,0,1|2,0,0]=4 474 B8R0.5 CCNC(=O)CC(=O)N 527a_100015525214_100134613110 [0,1,0,0,0,1|2,0,0]=4 475 B8R0.5 CNCC(=O)NC(=O)C 7a_106832991635_100000183797 [0,1,0,0,0,1|2,0,0]=4 476 B8R0.5 CNCC(=O)NC(=O)N 2230a_106832991635_100000182717 [0,1,0,0,0,1|2,0,0]=4 477 B8R0.5 CNCC(=O)NC(=O)N 7a_106832991635_100000182717 [0,1,0,0,0,1|2,0,0]=4 478 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [0,1,0,0,0,1|1,0,1]=4 479 B8R0.5 CNNC(=O)CC(=O)N 22a_100016993582_100134613110 [0,1,0,0,0,1|2,0,0]=4 480 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [0,1,0,0,0,1|1,0,1]=4 481 B8R0.16 CC[C@H](CC(=O)O)NC 269956a_100016995926_200000210301 [0,1,0,0,0,1|0,0,2]=4 482 B8R0.16 CC[C@H](CC(=O)O)N[13CH3] 269956a_100016995926_200025704644 [0,1,0,0,0,1|0,0,2]=4 483 B8R0.16 CN[C@H](CO)CC(=O)O 269956a_100009816507_200000210301 [0,1,0,0,0,1|0,0,2]=4 484 B8R0.16 [13CH3]N[C@H](CO)CC(=O)O 269956a_100009816507_200025704644 [0,1,0,0,0,1|0,0,2]=4 485 B8R0.19 C#CC(=O)CC(=O)NC 1458a_100000211873_100000183359 [0,1,0,0,0,1|2,0,0]=4 486 B8R0.19 C=C(C#N)CC(=O)CO 1458a_100000210174_100000694840 [0,1,0,0,0,1|2,0,0]=4 487 B8R0.19 C=CC(=O)CC(=O)NC 1458a_100000185746_100000183359 [0,1,0,0,0,1|2,0,0]=4 488 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [0,1,0,0,0,1|2,0,0]=4 489 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [0,1,0,0,0,1|2,0,0]=4 490 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [0,1,0,0,0,1|2,0,0]=4 491 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [0,1,0,0,0,1|2,0,0]=4 492 B8R0.19 CNC(=O)CC(=O)CO 1458a_100000210174_100000183359 [0,1,0,0,0,1|1,0,0]=3 493 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [0,1,0,0,0,1|1,0,0]=3 494 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [0,1,0,0,0,1|0,0,2]=4 495 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [0,1,0,0,0,1|0,0,2]=4 496 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [0,1,0,0,0,1|0,0,2]=4 497 B8R0.19 COC(=O)CC(=O)CO 1458a_100000210174_100000747449 [0,1,0,0,0,1|2,0,0]=4 498 B8R0.23 CC(=O)CC(=O)N(C)C 1458a_100000070787_100000185267 [0,1,0,0,0,1|2,0,0]=4 499 B8R0.23 CN(C)C(=O)CC(=O)N 240690a_100102631434_100134613110 [0,1,0,0,0,1|2,0,0]=4 500 B8R0.23 CN(C)C(=O)CC(=O)N 527a_100102631434_100134613110 [0,1,0,0,0,1|2,0,0]=4 501 B8R0.34 CC(C)(CC(=O)O)N[13CH3] 269956a_100000755897_200025704644 [0,1,0,0,0,1|0,0,2]=4 502 B8R0.34 CNC(C)(C)CC(=O)O 269956a_100000755897_200000210301 [0,1,0,0,0,1|0,0,2]=4 503 B8R0.3 C#CCC(=O)C(=O)NC 1458a_100011218921_100000184674 [0,2,0,0,0,0|2,0,0]=4 504 B8R0.3 C/C=C(\C)/C(=O)CCO 1458a_100020587367_100000211926 [0,2,0,0,0,0|1,0,1]=4 505 B8R0.3 C=C(CNC)C(=O)OC 34a_100102657272_100009813391 [0,2,0,0,0,0|0,0,0]=2 506 B8R0.3 C=C(CO)C(=O)NNC 22a_100016993582_200000705526 [0,2,0,0,0,0|2,0,0]=4 507 B8R0.3 C=C(COC)C(=O)OC 34a_100138415774_100009813391 [0,2,0,0,0,0|1,0,0]=3 508 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [0,2,0,0,0,0|1,0,0]=3 509 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [0,2,0,0,0,0|1,0,0]=3 510 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [0,2,0,0,0,0|1,0,0]=3 511 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [0,2,0,0,0,0|1,0,0]=3 512 B8R0.3 C=CCC(=O)C(=O)NC 1458a_100011218921_100000210623 [0,2,0,0,0,0|2,0,0]=4 513 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,2,0,0,0,0|2,0,0]=4 514 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [0,2,0,0,0,0|2,0,0]=4 515 B8R0.3 CCNC(=O)C(=O)CF 1458a_200011297158_100015361967 [0,2,0,0,0,0|2,0,0]=4 516 B8R0.3 CCNC(=O)C(=O)NC 1626a_100102657272_200011297158 [0,2,0,0,0,0|2,0,0]=4 517 B8R0.3 CCNC(=O)C(=O)NC 240690a_100015525214_100011218921 [0,2,0,0,0,0|2,0,0]=4 518 B8R0.3 CCNC(=O)C(=O)NC 240690a_100102657272_200011297158 [0,2,0,0,0,0|2,0,0]=4 519 B8R0.3 CCNC(=O)C(=O)NC 527a_100015525214_100011218921 [0,2,0,0,0,0|2,0,0]=4 520 B8R0.3 CCNC(=O)C(=O)NC 527a_100102657272_200011297158 [0,2,0,0,0,0|2,0,0]=4 521 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,2,0,0,0,0|1,0,0]=3 522 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,2,0,0,0,0|1,0,0]=3 523 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,2,0,0,0,0|1,0,0]=3 524 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [0,2,0,0,0,0|0,0,2]=4 525 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [0,2,0,0,0,0|1,0,0]=3 526 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [0,2,0,0,0,0|1,0,0]=3 527 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [0,2,0,0,0,0|1,0,0]=3 528 B8R0.3 CCOC(=O)C(C)NC 2230a_106832991635_100011215307 [0,2,0,0,0,0|0,0,2]=4 529 B8R0.3 CCOC(=O)C(C)NC 34a_100102657272_100011216346 [0,2,0,0,0,0|0,0,2]=4 530 B8R0.3 CCOC(=O)C(C)NC 7a_106832991635_100011216346 [0,2,0,0,0,0|0,0,2]=4 531 B8R0.3 CCOC(=O)C(F)NC 2230a_106832991635_100000760018 [0,2,0,0,0,0|1,0,1]=4 532 B8R0.3 CCOC(=O)C(F)NC 34a_100102657272_100000760018 [0,2,0,0,0,0|1,0,1]=4 533 B8R0.3 CCOC(=O)C(F)NC 7a_106832991635_100000040065 [0,2,0,0,0,0|1,0,1]=4 534 B8R0.3 CNC(=O)/C(=N/OC)/C 11a_106832991635_100160996864 [0,2,0,0,0,0|2,0,0]=4 535 B8R0.3 CNC(=O)/C(=N/OC)/C 240690a_100102657272_100160996864 [0,2,0,0,0,0|2,0,0]=4 536 B8R0.3 CNC(=O)C(=O)CC#N 1458a_100011218921_100011214920 [0,2,0,0,0,0|2,0,0]=4 537 B8R0.3 CNC(=O)C(=O)CCF 1458a_100011218921_100011217306 [0,2,0,0,0,0|2,0,0]=4 538 B8R0.3 CNC(=O)C(=O)CCO 1458a_100011218921_100000211926 [0,2,0,0,0,0|1,0,0]=3 539 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [0,2,0,0,0,0|1,0,0]=3 540 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [0,2,0,0,0,0|0,0,2]=4 541 B8R0.3 CNNC(=O)C(=O)NC 22a_100016993582_100011218921 [0,2,0,0,0,0|2,0,0]=4 542 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [0,2,0,0,0,0|2,0,0]=4 543 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [0,2,0,0,0,0|2,0,0]=4 544 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [0,2,0,0,0,0|2,0,0]=4 545 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [0,2,0,0,0,0|2,0,0]=4 546 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [0,2,0,0,0,0|2,0,0]=4 547 B8R0.8 C#CCNC(=O)C(=O)N 240690a_100000212058_100011215815 [0,2,0,0,0,0|2,0,0]=4 548 B8R0.8 C#CCN[C@@H](C)C(=O)O 269956a_100000743915_100000184674 [0,2,0,0,0,0|0,0,2]=4 549 B8R0.8 C=CCNC(=O)C(=O)N 240690a_100020586998_100011215815 [0,2,0,0,0,0|2,0,0]=4 550 B8R0.8 C=CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210623 [0,2,0,0,0,0|0,0,2]=4 551 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [0,2,0,0,0,0|0,0,2]=4 552 B8R0.8 CC=NNC(=O)C(=O)N 4a_100000211141_200000210099 [0,2,0,0,0,0|2,0,0]=4 553 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,2,0,0,0,0|2,0,0]=4 554 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [0,2,0,0,0,0|2,0,0]=4 555 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,2,0,0,0,0|2,0,0]=4 556 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,2,0,0,0,0|0,0,2]=4 557 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,2,0,0,0,0|0,0,2]=4 558 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [0,2,0,0,0,0|1,0,1]=4 559 B8R0.8 CCNNC(=O)C(=O)N 22a_100000756455_100011215815 [0,2,0,0,0,0|2,0,0]=4 560 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [0,2,0,0,0,0|0,0,2]=4 561 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [0,2,0,0,0,0|0,0,2]=4 562 B8R0.8 C[C@H](NCC#N)C(=O)O 269956a_100000743915_100011215382 [0,2,0,0,0,0|0,0,2]=4 563 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [0,2,0,0,0,0|0,0,2]=4 564 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [0,2,0,0,0,0|0,0,2]=4 565 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [0,2,0,0,0,0|0,0,2]=4 566 B8R0.8 NC(=O)C(=O)NCCF 240690a_100000724931_100011215815 [0,2,0,0,0,0|2,0,0]=4 567 B8R0.8 NC(=O)C(=O)NCCO 240690a_100000210304_100011215815 [0,2,0,0,0,0|2,0,0]=4 568 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [0,2,0,0,0,0|1,0,1]=4 569 B8R0.12 CC(C)(CN[13CH3])C(=O)O 269956a_100000693527_200025704644 [0,2,0,0,0,0|0,0,2]=4 570 B8R0.12 CC(C)(ON[13CH3])C(=O)O 269956a_100016989451_200025704644 [0,2,0,0,0,0|0,0,2]=4 571 B8R0.12 CNCC(C)(C)C(=O)O 269956a_100000693527_200000210301 [0,2,0,0,0,0|0,0,2]=4 572 B8R0.12 CNCC(F)(F)C(=O)O 269956a_100000734215_200000210301 [0,2,0,0,0,0|1,0,1]=4 573 B8R0.12 CNOC(C)(C)C(=O)O 269956a_100016989451_200000210301 [0,2,0,0,0,0|0,0,2]=4 574 B8R0.12 [13CH3]NCC(F)(F)C(=O)O 269956a_100000734215_200025704644 [0,2,0,0,0,0|1,0,1]=4 575 B8R0.15 C=C[C@H](NCC)C(=O)O 269956a_100016992060_100000210202 [0,2,0,0,0,0|0,0,1]=3 576 B8R0.15 C=C[C@H](NCF)C(=O)O 269956a_100016992060_100015361967 [0,2,0,0,0,0|0,0,1]=3 577 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [0,2,0,0,0,0|0,0,2]=4 578 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [0,2,0,0,0,0|0,0,2]=4 579 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [0,2,0,0,0,0|0,0,2]=4 580 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [0,2,0,0,0,0|0,0,2]=4 581 B8R0.15 CC[C@@H](NCF)C(=O)O 269956a_100000747097_100015361967 [0,2,0,0,0,0|0,0,2]=4 582 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [0,2,0,0,0,0|0,0,2]=4 583 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [0,2,0,0,0,0|0,0,2]=4 584 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [0,2,0,0,0,0|0,0,2]=4 585 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [0,2,0,0,0,0|0,0,2]=4 586 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [0,2,0,0,0,0|0,0,2]=4 587 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [0,2,0,0,0,0|0,0,2]=4 588 B8R0.15 O=C(O)C(CO)NCF 269956a_100000187304_100015361967 [0,2,0,0,0,0|0,0,2]=4 589 B8R0.13 CNC(C)(C)C(=O)OC 2230a_106832991635_100000689032 [0,2,0,0,0,0|0,0,2]=4 590 B8R0.13 CNC(C)(F)C(=O)OC 2230a_106832991635_200009867631 [0,2,0,0,0,0|0,0,2]=4 591 B8R0.13 CNC(C)(F)C(=O)OC 34a_100102657272_200009867631 [0,2,0,0,0,0|0,0,2]=4 592 B8R0.13 CNC(F)(F)C(=O)OC 34a_100102657272_100000211177 [0,2,0,0,0,0|1,0,1]=4 593 B8R0.13 CNC(F)(F)C(=O)OC 7a_106832991635_100000211177 [0,2,0,0,0,0|1,0,1]=4 594 B8R0.20 CCC(NC)C(=O)OC 2230a_106832991635_100000235869 [0,2,0,0,0,0|0,0,2]=4 595 B8R0.20 CCC(NC)C(=O)OC 34a_100102657272_100000235869 [0,2,0,0,0,0|0,0,2]=4 596 B8R0.20 CCC(NC)C(=O)OC 7a_106832991635_100000742303 [0,2,0,0,0,0|0,0,2]=4 597 B8R0.20 CNC(C=O)C(=O)OC 34a_100102657272_100000046368 [0,2,0,0,0,0|0,0,1]=3 598 B8R0.20 CNC(CO)C(=O)OC 34a_100102657272_100012276630 [0,2,0,0,0,0|0,0,2]=4 599 B8R0.20 CNC(OC)C(=O)OC 34a_100102657272_100000101307 [0,2,0,0,0,0|0,0,2]=4 600 B8R0.20 COC(=O)C(C=O)OC 34a_100138415774_100000046368 [0,2,0,0,0,0|1,0,1]=4 601 B8R0.20 COC(=O)C(C=O)SC 62a_100000046368_200000210301 [0,2,0,0,0,0|1,0,1]=4 602 B8R0.20 COC(=O)C(C=O)SC 62a_200000210301_100000046368 [0,2,0,0,0,0|1,0,1]=4 603 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_100000046368_200025704644 [0,2,0,0,0,0|1,0,1]=4 604 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_200025704644_100000046368 [0,2,0,0,0,0|1,0,1]=4 605 B8R0.36 CCC(C)(NC)C(=O)O 269956a_100025756313_200000210301 [0,2,0,0,0,0|0,0,2]=4 606 B8R0.36 CCC(C)(N[13CH3])C(=O)O 269956a_100025756313_200025704644 [0,2,0,0,0,0|0,0,2]=4 607 B8R0.18 CC(C)[C@@H](N[13CH3])C(=O)O 269956a_100000745019_200025704644 [0,2,0,0,0,0|0,0,2]=4 608 B8R0.18 CC(O)C(N[13CH3])C(=O)O 269956a_100000185852_200025704644 [0,2,0,0,0,0|0,0,2]=4 609 B8R0.18 CN(C)[C@@H](CO)C(=O)O 269956a_100015362447_200000210301 [0,2,0,0,0,0|0,0,2]=4 610 B8R0.18 CN([13CH3])[C@@H](CO)C(=O)O 269956a_100015362447_200025704644 [0,2,0,0,0,0|0,0,2]=4 611 B8R0.18 CNC(C(=O)N)C(=O)N 2230a_100000025885_200000210301 [0,2,0,0,0,0|1,0,1]=4 612 B8R0.18 CNC(C(=O)O)C(C)O 269956a_100000185852_200000210301 [0,2,0,0,0,0|0,0,2]=4 613 B8R0.18 CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000210301 [0,2,0,0,0,0|0,0,2]=4 614 B8R0.18 [13CH3]NC(C(=O)N)C(=O)N 2230a_100000025885_200025704644 [0,2,0,0,0,0|1,0,1]=4 615 B6R1.2 Oc1c[nH]cn1 271570a_203496583355_100000756875 [1,0,0,1,0,0|1,0,1]=4 616 B6R1.2 Oc1cn[nH]c1 271570a_203496583355_100000238712 [1,0,0,1,0,0|2,0,0]=4 617 B8R1.1 CCc1ccc(s1)O 271570a_203496583355_100009844052 [0,0,0,1,0,1|2,0,0]=4 618 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [0,0,0,1,0,1|0,0,2]=4 619 B8R1.1 CNc1nnc(s1)O 271570a_203496583355_200012111945 [0,0,0,1,0,1|2,0,0]=4 620 B8R1.1 CNc1noc(n1)C 27a_100102657272_100012003639 [0,0,0,1,0,1|2,0,0]=4 621 B8R1.18 Cc1cc(nn1C)O 271570a_203496583355_100012001299 [0,0,0,1,0,1|1,0,1]=4 622 B8R1.18 Cc1nc(cn1C)O 271570a_203496583355_100000684932 [0,0,0,1,0,1|1,0,1]=4 623 B8R1.18 Cn1cc(nc1N)O 271570a_203496583355_100025756272 [0,0,0,1,0,1|2,0,0]=4 624 B8R1.18 Cn1nc(cc1N)O 271570a_203496583355_100000734454 [0,0,0,1,0,1|2,0,0]=4 625 B8R1.18 Cn1nc(nc1N)O 271570a_203496583355_200010296169 [0,0,0,1,0,1|2,0,0]=4 626 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,1,0,1,0,0|2,0,0]=4 627 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [0,1,0,1,0,0|2,0,0]=4 628 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [0,1,0,1,0,0|2,0,0]=4 629 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,1,0,1,0,0|2,0,0]=4 630 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [0,1,0,1,0,0|2,0,0]=4 631 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [0,1,0,1,0,0|2,0,0]=4 632 B8R1.11 CCc1ccsc1O 271570a_203496583355_200009875468 [0,1,0,1,0,0|1,1,0]=4 633 B8R1.11 CCc1cscc1O 271570a_203496583355_100011068457 [0,1,0,1,0,0|1,1,0]=4 634 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [0,1,0,1,0,0|0,0,2]=4 635 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [0,1,0,1,0,0|0,0,2]=4 636 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [0,1,0,1,0,0|0,0,2]=4 637 B8R1.11 CN[C@@H]1CONC1=O 2230a_100000765999_200000210301 [0,1,0,1,0,0|0,0,2]=4 638 B8R1.11 CN[C@@H]1CONC1=O 34a_100000765999_200000210301 [0,1,0,1,0,0|0,0,2]=4 639 B8R1.11 CSc1cnoc1C 62a_100009872056_200000210301 [0,1,0,1,0,0|2,0,0]=4 640 B8R1.11 CSc1cnoc1C 62a_200000210301_100009872056 [0,1,0,1,0,0|2,0,0]=4 641 B8R1.11 CSc1conc1N 62a_100012597345_200000210301 [0,1,0,1,0,0|2,0,0]=4 642 B8R1.11 CSc1conc1N 62a_200000210301_100012597345 [0,1,0,1,0,0|2,0,0]=4 643 B8R1.11 CSc1sccc1O 271570a_203496583355_200010341309 [0,1,0,1,0,0|2,0,0]=4 644 B8R1.11 Cc1oncc1S[13CH3] 62a_100009872056_200025704644 [0,1,0,1,0,0|2,0,0]=4 645 B8R1.11 Cc1oncc1S[13CH3] 62a_200025704644_100009872056 [0,1,0,1,0,0|2,0,0]=4 646 B8R1.11 [13CH3]N[C@@H]1CONC1=O 2230a_100000765999_200025704644 [0,1,0,1,0,0|0,0,2]=4 647 B8R1.11 [13CH3]N[C@@H]1CONC1=O 34a_100000765999_200025704644 [0,1,0,1,0,0|0,0,2]=4 648 B8R1.11 [13CH3]Sc1conc1N 62a_100012597345_200025704644 [0,1,0,1,0,0|2,0,0]=4 649 B8R1.11 [13CH3]Sc1conc1N 62a_200025704644_100012597345 [0,1,0,1,0,0|2,0,0]=4 650 B8R1.50 Cc1[nH][nH]c(=O)c1O 271570a_203496583355_100000686169 [0,1,0,1,0,0|1,0,1]=4 651 B8R1.50 Cc1c(cnn1C)O 271570a_203496583355_100000722751 [0,1,0,1,0,0|1,0,1]=4 652 B8R1.50 Cn1ncc(c1F)O 271570a_203496583355_200011161937 [0,1,0,1,0,0|2,0,0]=4 653 B8R1.63 CNC1(CC1)C(=O)O 269956a_100000746478_200000210301 [0,1,0,1,0,0|0,0,2]=4 654 B8R1.63 [13CH3]NC1(CC1)C(=O)O 269956a_100000746478_200025704644 [0,1,0,1,0,0|0,0,2]=4 655 B8R0.9 CNC(=O)C=CC(=O)C 1458a_100016259477_200000210301 [0,0,0,0,0,2|2,0,0]=4 656 B8R0.9 CNC(=O)C=CC(=O)[13CH3] 1458a_100016259477_200025704644 [0,0,0,0,0,2|2,0,0]=4 657 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [0,0,0,0,0,2|2,0,0]=4 658 B8R0.9 CNC(=O)CCC(=O)N 240690a_100102657272_100011215257 [0,0,0,0,0,2|2,0,0]=4 659 B8R0.9 CNC(=O)CCC(=O)N 527a_100102657272_100011215257 [0,0,0,0,0,2|2,0,0]=4 660 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [0,0,0,0,0,2|2,0,0]=4 661 B8R0.9 CNC(=O)CNC(=O)C 11a_100000693194_100015343762 [0,0,0,0,0,2|2,0,0]=4 662 B8R0.9 CNC(=O)CNC(=O)C 11a_106832991635_100000194580 [0,0,0,0,0,2|2,0,0]=4 663 B8R0.9 CNC(=O)CNC(=O)C 1626a_100102657272_100000194580 [0,0,0,0,0,2|2,0,0]=4 664 B8R0.9 CNC(=O)CNC(=O)C 240690a_100000693194_100015343762 [0,0,0,0,0,2|2,0,0]=4 665 B8R0.9 CNC(=O)CNC(=O)C 240690a_100102657272_100000194580 [0,0,0,0,0,2|2,0,0]=4 666 B8R0.9 CNC(=O)CNC(=O)C 527a_100000693194_100103153847 [0,0,0,0,0,2|2,0,0]=4 667 B8R0.9 CNC(=O)CNC(=O)C 527a_100102657272_100000194580 [0,0,0,0,0,2|2,0,0]=4 668 B8R0.9 CNC(=O)CNC(=O)N 240690a_100102657272_100000184981 [0,0,0,0,0,2|2,0,0]=4 669 B8R0.9 CNC(=O)CNC(=O)N 527a_100102657272_100000184981 [0,0,0,0,0,2|2,0,0]=4 670 B8R0.9 CNC(=O)COC(=O)C 1626a_100102657272_100000183556 [0,0,0,0,0,2|2,0,0]=4 671 B8R0.9 CNC(=O)COC(=O)C 240690a_100102657272_100000183556 [0,0,0,0,0,2|2,0,0]=4 672 B8R0.9 CNC(=O)COC(=O)C 527a_100102657272_100000183556 [0,0,0,0,0,2|2,0,0]=4 673 B8R0.9 CNC(=O)CSC(=O)C 11a_106832991635_100000049016 [0,0,0,0,0,2|2,0,0]=4 674 B8R0.9 CNC(=O)CSC(=O)C 1626a_100102657272_100000049016 [0,0,0,0,0,2|2,0,0]=4 675 B8R0.9 CNC(=O)CSC(=O)C 240690a_100102657272_100000049016 [0,0,0,0,0,2|2,0,0]=4 676 B8R0.9 CNC(=O)CSC(=O)N 240690a_100102657272_200015941356 [0,0,0,0,0,2|2,0,0]=4 677 B8R0.9 CNC(=O)NCC(=O)N 2708a_100102657272_100000711301 [0,0,0,0,0,2|2,0,0]=4 678 B8R0.9 CNC(=O)NCC(=O)N 273464a_100000711301_100102657272 [0,0,0,0,0,2|2,0,0]=4 679 B8R0.9 CNC(=O)NCC(=O)N 273464a_100102657272_100000711301 [0,0,0,0,0,2|2,0,0]=4 680 B8R0.9 CNC(=O)NCC(=O)N 512a_106832991638_100000711301 [0,0,0,0,0,2|2,0,0]=4 681 B8R0.9 CNC(=O)NNC(=O)C 273464a_100102657272_100000189765 [0,0,0,0,0,2|2,0,0]=4 682 B8R0.9 CNC(=O)NNC(=O)C 512a_100000189765_100102657272 [0,0,0,0,0,2|2,0,0]=4