0 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.3 C=C(Br)C(=O)NC 11a_106832991635_100009813364 [0,0,0,0,0,0|4,0,0]=4 3 B6R0.3 C=C(Br)C(=O)NC 1626a_100102657272_100009813364 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.3 C=C(Cl)C(=O)NC 11a_106832991635_100000039160 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.3 C=C(Cl)C(=O)NC 1626a_100102657272_100000039160 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.3 C=C(F)C(=O)NC 11a_106832991635_100000036797 [0,0,0,0,0,0|4,0,0]=4 11 B6R0.3 C=C(F)C(=O)NC 1626a_100102657272_100000036797 [0,0,0,0,0,0|4,0,0]=4 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(=O)C(O)CO 1458a_100011215603_200000210301 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,0,0,0,0,0|2,0,2]=4 17 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,0,0,0,0,0|2,0,2]=4 18 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [0,0,0,0,0,0|3,0,1]=4 21 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [0,0,0,0,0,0|1,0,2]=3 22 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [0,0,0,0,0,0|4,0,0]=4 23 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [0,0,0,0,0,0|4,0,0]=4 24 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [0,0,0,0,0,0|4,0,0]=4 25 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [0,0,0,0,0,0|4,0,0]=4 26 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [0,0,0,0,0,0|2,0,1]=3 27 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [0,0,0,0,0,0|2,0,1]=3 28 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,0,0,0,0,0|1,0,2]=3 29 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,0,0,0,0,0|1,0,2]=3 30 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,0,0,0,0,0|1,0,2]=3 31 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,0,0,0,0,0|2,0,1]=3 32 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,0,0,0,0,0|2,0,1]=3 33 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,0,0,0,0,0|2,0,1]=3 34 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,0,0,0,0,0|2,0,1]=3 35 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,0,0,0,0,0|2,0,1]=3 36 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,0,0,0,0,0|2,0,1]=3 37 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,0,0,0,0,0|3,0,0]=3 38 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [0,0,0,0,0,0|3,0,0]=3 39 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,0,0,0,0,0|3,0,0]=3 40 B6R0.3 CNC(=O)C(O)O 240690a_100102657272_100000233687 [0,0,0,0,0,0|2,0,2]=4 41 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [0,0,0,0,0,0|3,0,1]=4 42 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [0,0,0,0,0,0|3,0,1]=4 43 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [0,0,0,0,0,0|3,0,1]=4 44 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,0,0,0,0,0|2,0,2]=4 45 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,0,0,0,0,0|2,0,2]=4 46 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,0,0,0,0,0|2,0,2]=4 47 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,0,0,0,0,0|2,0,2]=4 48 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,0,0,0,0,0|2,0,2]=4 49 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [0,0,0,0,0,0|3,0,1]=4 50 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [0,0,0,0,0,0|3,0,1]=4 51 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [0,0,0,0,0,0|3,0,1]=4 52 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [0,0,0,0,0,0|2,0,2]=4 53 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,0,0,0,0,0|1,0,2]=3 54 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,0,0,0,0,0|2,0,2]=4 55 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,0,0,0,0,0|2,0,2]=4 56 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,0,0,0,0,0|2,0,2]=4 57 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,0,0,0,0,0|2,0,2]=4 58 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,0,0,0,0,0|2,0,2]=4 59 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,0,0,0,0,0|2,0,2]=4 60 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [0,0,0,0,0,0|3,0,1]=4 61 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [0,0,0,0,0,0|2,0,2]=4 62 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [0,0,0,0,0,0|1,0,3]=4 63 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,0,0,0,0,0|2,0,2]=4 64 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,0,0,0,0,0|2,0,2]=4 65 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,0,0,0,0,0|2,0,2]=4 66 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,0,0,0,0,0|2,0,2]=4 67 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,0,0,0,0,0|2,0,2]=4 68 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,0,0,0,0,0|2,0,2]=4 69 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,0,0,0,0,0|2,0,2]=4 70 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,0,0,0,0,0|2,0,2]=4 71 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [0,0,0,0,0,0|3,0,1]=4 72 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [0,0,0,0,0,0|3,0,1]=4 73 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [0,0,0,0,0,0|2,0,2]=4 74 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [0,0,0,0,0,0|2,0,2]=4 75 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,0,0,0,0,0|2,0,2]=4 76 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,0,0,0,0,0|2,0,2]=4 77 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [0,0,0,0,0,0|3,0,1]=4 78 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,0,0,0,0,0|2,0,2]=4 79 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,0,0,0,0,0|2,0,2]=4 80 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,0,0,0,0,0|1,0,2]=3 81 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [0,0,0,0,0,0|3,0,1]=4 82 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [0,0,0,0,0,0|1,0,3]=4 83 B6R0.3 O=C(CF)C(O)O 1458a_100000233687_100015361967 [0,0,0,0,0,0|2,0,2]=4 84 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,0,0,0,0,0|3,0,1]=4 85 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [0,0,0,0,0,0|3,0,1]=4 86 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [0,0,0,0,0,0|3,0,1]=4 87 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [0,0,0,0,0,0|2,0,2]=4 88 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [0,0,0,0,0,0|2,0,2]=4 89 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [1,0,0,0,0,0|1,0,2]=4 90 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [1,0,0,0,0,0|1,0,2]=4 91 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [1,0,0,0,0,0|2,0,1]=4 92 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [1,0,0,0,0,0|2,0,1]=4 93 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [1,0,0,0,0,0|2,0,1]=4 94 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,0,0,0,0,0|2,0,1]=4 95 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,0,0,0,0,0|2,0,1]=4 96 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,0,0,0,0,0|2,0,1]=4 97 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,0,0,0,0,0|2,0,1]=4 98 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,0,0,0,0|1,0,1]=3 99 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,0,0,0,0|1,0,1]=3 100 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,0,0,0,0|1,0,1]=3 101 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,0,0,0,0|1,0,1]=3 102 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,0,0,0,0|1,0,1]=3 103 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,0,0,0,0,0|2,0,0]=3 104 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,0,0,0,0,0|2,0,0]=3 105 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,0,0,0,0,0|2,0,0]=3 106 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [1,0,0,0,0,0|2,0,1]=4 107 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [1,0,0,0,0,0|2,0,1]=4 108 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [1,0,0,0,0,0|2,0,1]=4 109 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [1,0,0,0,0,0|2,0,1]=4 110 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,0,0,0,0,0|1,0,1]=3 111 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [1,0,0,0,0,0|1,0,2]=4 112 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [1,0,0,0,0,0|3,0,0]=4 113 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,0,0,0,0,0|2,0,1]=4 114 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,0,0,0,0,0|2,0,1]=4 115 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,0,0,0,0,0|2,0,1]=4 116 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,0,0,0,0,0|2,0,1]=4 117 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [1,0,0,0,0,0|1,0,2]=4 118 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,0,0,0,0,0|2,0,1]=4 119 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [1,0,0,0,0,0|2,0,1]=4 120 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [1,0,0,0,0,0|2,0,1]=4 121 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,0,0,0,0,0|2,0,1]=4 122 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [1,0,0,0,0,0|1,0,2]=4 123 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [1,0,0,0,0,0|1,0,2]=4 124 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [1,0,0,0,0,0|2,0,1]=4 125 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [1,0,0,0,0,0|2,0,1]=4 126 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [1,0,0,0,0,0|2,0,1]=4 127 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,0,0,0,0,0|2,0,1]=4 128 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [1,0,0,0,0,0|2,0,1]=4 129 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,0,0,0,0,0|1,0,1]=3 130 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [1,0,0,0,0,0|2,0,1]=4 131 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [1,0,0,0,0,0|2,0,1]=4 132 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [1,0,0,0,0,0|1,0,2]=4 133 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [1,0,0,0,0,0|1,0,2]=4 134 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [1,0,0,0,0,0|2,0,1]=4 135 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,0,0,0,0,0|2,0,0]=3 136 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [1,0,0,0,0,0|3,0,0]=4 137 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [1,0,0,0,0,0|3,0,0]=4 138 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [1,0,0,0,0,0|3,0,0]=4 139 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,0,0,0,0,0|2,0,1]=4 140 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,0,0,0,0,0|2,0,1]=4 141 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,0,0,0,0,0|1,0,1]=3 142 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,0,0,0,0,0|3,0,0]=4 143 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,0,0,0,0,0|3,0,0]=4 144 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,0,0,0,0,0|3,0,0]=4 145 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,0,0,0,0,0|3,0,0]=4 146 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [1,0,0,0,0,0|2,0,1]=4 147 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [1,0,0,0,0,0|2,0,1]=4 148 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [1,0,0,0,0,0|2,0,1]=4 149 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [1,0,0,0,0,0|1,0,0]=2 150 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [1,0,0,0,0,0|1,0,0]=2 151 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,0,0,0,0,0|1,0,2]=4 152 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,0,0,0,0,0|1,0,2]=4 153 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,0,0,0,0,0|2,0,1]=4 154 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [1,0,0,0,0,0|1,0,2]=4 155 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [1,0,0,0,0,0|2,0,1]=4 156 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [1,0,0,0,0,0|2,0,1]=4 157 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [1,0,0,0,0,0|2,0,1]=4 158 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [1,0,0,0,0,0|2,0,1]=4 159 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,0,0,0,0,0|2,0,1]=4 160 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,0,0,0,0,0|2,0,1]=4 161 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,0,0,0,0,0|1,0,2]=4 162 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,0,0,0,0,0|2,0,1]=4 163 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,0,0,0,0,0|2,0,1]=4 164 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,0,0,0,0,0|2,0,1]=4 165 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [1,0,0,0,0,0|1,0,2]=4 166 B7R0.5 C=C(Br)C(=O)NCC 11a_100015525214_100009813364 [0,1,0,0,0,0|3,0,0]=4 167 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,1,0,0,0,0|3,0,0]=4 168 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [0,1,0,0,0,0|3,0,0]=4 169 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [0,1,0,0,0,0|3,0,0]=4 170 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [0,1,0,0,0,0|3,0,0]=4 171 B7R0.5 C=C(Cl)C(=O)NCC 11a_100015525214_100000039160 [0,1,0,0,0,0|3,0,0]=4 172 B7R0.5 C=C(F)C(=O)NCC 11a_100015525214_100000036797 [0,1,0,0,0,0|3,0,0]=4 173 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,1,0,0,0,0|2,0,0]=3 174 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,1,0,0,0,0|2,0,0]=3 175 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,1,0,0,0,0|1,0,2]=4 176 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,1,0,0,0,0|1,0,2]=4 177 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,1,0,0,0,0|1,0,2]=4 178 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [0,1,0,0,0,0|2,0,1]=4 179 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [0,1,0,0,0,0|2,0,1]=4 180 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [0,1,0,0,0,0|0,0,2]=3 181 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,1,0,0,0,0|1,0,1]=3 182 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,1,0,0,0,0|1,0,1]=3 183 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [0,1,0,0,0,0|1,0,2]=4 184 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,1,0,0,0,0|2,0,1]=4 185 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,1,0,0,0,0|2,0,1]=4 186 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,1,0,0,0,0|1,0,2]=4 187 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,1,0,0,0,0|1,0,2]=4 188 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,1,0,0,0,0|1,0,2]=4 189 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [0,1,0,0,0,0|2,0,1]=4 190 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [0,1,0,0,0,0|2,0,1]=4 191 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [0,1,0,0,0,0|2,0,1]=4 192 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [0,1,0,0,0,0|2,0,1]=4 193 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,1,0,0,0,0|2,0,1]=4 194 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_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 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,1,0,0,0,0|1,0,2]=4 208 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,1,0,0,0,0|1,0,2]=4 209 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [0,1,0,0,0,0|1,0,2]=4 210 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,1,0,0,0,0|1,0,2]=4 211 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [0,1,0,0,0,0|2,0,1]=4 212 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [0,1,0,0,0,0|1,0,2]=4 213 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [0,1,0,0,0,0|0,0,3]=4 214 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [0,1,0,0,0,0|1,0,2]=4 215 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [0,1,0,0,0,0|1,0,2]=4 216 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,1,0,0,0,0|1,0,2]=4 217 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,1,0,0,0,0|1,0,2]=4 218 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,1,0,0,0,0|1,0,2]=4 219 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [0,1,0,0,0,0|1,0,2]=4 220 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [0,1,0,0,0,0|1,0,2]=4 221 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,1,0,0,0,0|1,0,2]=4 222 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [0,1,0,0,0,0|2,0,1]=4 223 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [0,1,0,0,0,0|2,0,1]=4 224 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [0,1,0,0,0,0|1,0,2]=4 225 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [0,1,0,0,0,0|1,0,2]=4 226 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,1,0,0,0,0|2,0,0]=3 227 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [0,1,0,0,0,0|0,0,2]=3 228 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [0,1,0,0,0,0|1,0,1]=3 229 B7R0.5 CNNC(=O)C(=O)N 22a_100016993582_100011215815 [0,1,0,0,0,0|3,0,0]=4 230 B7R0.5 CO/N=C(\C)/C(=O)C 1458a_100160996864_200000210301 [0,1,0,0,0,0|2,0,1]=4 231 B7R0.5 CO/N=C(\C)/C(=O)[13CH3] 1458a_100160996864_200025704644 [0,1,0,0,0,0|2,0,1]=4 232 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,1,0,0,0,0|2,0,0]=3 233 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,1,0,0,0,0|1,0,2]=4 234 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,1,0,0,0,0|1,0,2]=4 235 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,1,0,0,0,0|1,0,2]=4 236 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,1,0,0,0,0|1,0,2]=4 237 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,1,0,0,0,0|1,0,2]=4 238 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [0,1,0,0,0,0|2,0,1]=4 239 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,1,0,0,0,0|2,0,0]=3 240 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,1,0,0,0,0|2,0,0]=3 241 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,1,0,0,0,0|1,0,2]=4 242 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,1,0,0,0,0|1,0,2]=4 243 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [0,1,0,0,0,0|2,0,1]=4 244 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [0,1,0,0,0,0|2,0,1]=4 245 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [0,1,0,0,0,0|1,0,2]=4 246 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [0,1,0,0,0,0|2,0,1]=4 247 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [0,1,0,0,0,0|2,0,1]=4 248 B7R0.5 O=C(CCF)C(O)O 1458a_100000233687_100011217306 [0,1,0,0,0,0|1,0,2]=4 249 B7R0.5 O=C(CCO)C(O)O 1458a_100000233687_100000211926 [0,1,0,0,0,0|1,0,2]=4 250 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [0,1,0,0,0,0|1,0,1]=3 251 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [0,1,0,0,0,0|2,0,1]=4 252 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [0,1,0,0,0,0|1,0,2]=4 253 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,1,0,0,0,0|1,0,2]=4 254 B7R0.10 C/C=C(\C)/C(=O)CF 1458a_100020587367_100015361967 [0,1,0,0,0,0|1,0,2]=4 255 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [0,1,0,0,0,0|1,0,2]=4 256 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [0,1,0,0,0,0|1,0,2]=4 257 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [0,1,0,0,0,0|1,0,2]=4 258 B7R0.10 C=CC(=O)N(C)CC 1626a_100000225621_100000185746 [0,1,0,0,0,0|2,0,1]=4 259 B7R0.10 C=CC(=O)N(C)CC 240690a_100000225621_200121576911 [0,1,0,0,0,0|2,0,1]=4 260 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [0,1,0,0,0,0|2,0,0]=3 261 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,1,0,0,0,0|1,0,2]=4 262 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,1,0,0,0,0|1,0,2]=4 263 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,1,0,0,0,0|2,0,1]=4 264 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [0,1,0,0,0,0|2,0,1]=4 265 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [0,1,0,0,0,0|1,0,2]=4 266 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [0,1,0,0,0,0|2,0,1]=4 267 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [0,1,0,0,0,0|2,0,1]=4 268 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [0,1,0,0,0,0|2,0,1]=4 269 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [0,1,0,0,0,0|2,0,1]=4 270 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [0,1,0,0,0,0|1,0,2]=4 271 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,1,0,0,0,0|0,0,2]=3 272 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [0,1,0,0,0,0|1,0,2]=4 273 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [0,1,0,0,0,0|1,0,2]=4 274 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [0,1,0,0,0,0|1,0,2]=4 275 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [0,1,0,0,0,0|1,0,2]=4 276 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [0,1,0,0,0,0|2,0,1]=4 277 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [0,1,0,0,0,0|2,0,1]=4 278 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [0,1,0,0,0,0|1,0,1]=3 279 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [0,1,0,0,0,0|1,0,1]=3 280 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [0,1,0,0,0,0|2,0,1]=4 281 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [0,1,0,0,0,0|2,0,1]=4 282 B7R0.10 CNC(=O)C(=O)CF 1458a_100011218921_100015361967 [0,1,0,0,0,0|3,0,0]=4 283 B7R0.10 CNC(=O)C(=O)NC 1626a_100102657272_100011218921 [0,1,0,0,0,0|3,0,0]=4 284 B7R0.10 CNC(=O)C(=O)NC 240690a_100102657272_100011218921 [0,1,0,0,0,0|3,0,0]=4 285 B7R0.10 CNC(=O)C(=O)NC 527a_100102657272_100011218921 [0,1,0,0,0,0|3,0,0]=4 286 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [0,1,0,0,0,0|2,0,0]=3 287 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [0,1,0,0,0,0|2,0,0]=3 288 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [0,1,0,0,0,0|2,0,0]=3 289 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [0,1,0,0,0,0|2,0,0]=3 290 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [0,1,0,0,0,0|1,0,2]=4 291 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [0,1,0,0,0,0|1,0,2]=4 292 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [0,1,0,0,0,0|1,0,2]=4 293 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [0,1,0,0,0,0|1,0,2]=4 294 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [0,1,0,0,0,0|1,0,2]=4 295 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [0,1,0,0,0,0|1,0,2]=4 296 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [0,1,0,0,0,0|1,0,2]=4 297 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [0,1,0,0,0,0|1,0,2]=4 298 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [0,1,0,0,0,0|1,0,2]=4 299 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [0,1,0,0,0,0|1,0,2]=4 300 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [0,1,0,0,0,0|1,0,2]=4 301 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [0,1,0,0,0,0|1,0,2]=4 302 B7R0.13 CCC(C)(O)C(=O)C 1458a_100011219770_200000210301 [0,1,0,0,0,0|1,0,2]=4 303 B7R0.13 CCC(C)(O)C(=O)[13CH3] 1458a_100011219770_200025704644 [0,1,0,0,0,0|1,0,2]=4 304 B7R0.13 CCC(F)(F)C(=O)C 1458a_100000061896_200000210301 [0,1,0,0,0,0|2,0,1]=4 305 B7R0.13 CCC(F)(F)C(=O)[13CH3] 1458a_100000061896_200025704644 [0,1,0,0,0,0|2,0,1]=4 306 B7R0.14 CCC(=O)C(C)(C)O 1458a_100000242741_100000210202 [0,1,0,0,0,0|2,0,1]=4 307 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [0,1,0,0,0,0|1,0,1]=3 308 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [0,1,0,0,0,0|1,0,1]=3 309 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [0,1,0,0,0,0|1,0,2]=4 310 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [0,1,0,0,0,0|1,0,2]=4 311 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [0,1,0,0,0,0|1,0,2]=4 312 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [0,1,0,0,0,0|1,0,2]=4 313 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [0,1,0,0,0,0|1,0,2]=4 314 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [0,1,0,0,0,0|1,0,2]=4 315 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [0,1,0,0,0,0|1,0,2]=4 316 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [0,1,0,0,0,0|1,0,2]=4 317 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [0,1,0,0,0,0|1,0,2]=4 318 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [0,1,0,0,0,0|1,0,2]=4 319 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [0,1,0,0,0,0|1,0,2]=4 320 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [0,1,0,0,0,0|1,0,2]=4 321 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [0,1,0,0,0,0|1,0,2]=4 322 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [0,1,0,0,0,0|1,0,2]=4 323 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [0,1,0,0,0,0|1,0,2]=4 324 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [0,1,0,0,0,0|1,0,2]=4 325 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [0,1,0,0,0,0|1,0,2]=4 326 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [0,1,0,0,0,0|2,0,1]=4 327 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [0,1,0,0,0,0|2,0,1]=4 328 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [0,1,0,0,0,0|2,0,1]=4 329 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [0,1,0,0,0,0|2,0,1]=4 330 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [0,1,0,0,0,0|0,0,2]=3 331 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [0,1,0,0,0,0|0,0,2]=3 332 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [0,1,0,0,0,0|1,0,2]=4 333 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [0,1,0,0,0,0|1,0,2]=4 334 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [0,1,0,0,0,0|3,0,0]=4 335 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [0,1,0,0,0,0|3,0,0]=4 336 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,1,0,0,0,0|1,0,2]=4 337 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [0,1,0,0,0,0|2,0,1]=4 338 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [0,1,0,0,0,0|2,0,1]=4 339 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [0,1,0,0,0,0|2,0,1]=4 340 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [0,1,0,0,0,0|2,0,1]=4 341 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,1,0,0,0,0|2,0,1]=4 342 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [0,1,0,0,0,0|1,0,2]=4 343 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [0,1,0,0,0,0|1,0,2]=4 344 B7R0.16 CC(C)C(=O)C(O)O 1458a_100000233687_100000210206 [0,1,0,0,0,0|1,0,2]=4 345 B7R0.16 CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000210206 [0,1,0,0,0,0|2,0,1]=4 346 B7R0.16 CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000210206 [0,1,0,0,0,0|2,0,1]=4 347 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,1,0,0,0,0|1,0,2]=4 348 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,1,0,0,0,0|2,0,1]=4 349 B7R0.16 CN(C)C(=O)C(=O)N 240690a_100102631434_100011215815 [0,1,0,0,0,0|3,0,0]=4 350 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [0,1,0,0,0,0|3,0,0]=4 351 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [0,0,0,1,0,0|1,0,2]=4 352 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [0,0,0,1,0,0|1,0,2]=4 353 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [0,0,0,1,0,0|1,0,2]=4 354 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [0,0,0,1,0,0|1,0,2]=4 355 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [0,0,0,1,0,0|2,0,1]=4 356 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [0,0,0,1,0,0|2,0,1]=4 357 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [0,0,0,1,0,0|2,0,1]=4 358 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [0,0,0,1,0,0|2,0,1]=4 359 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [0,0,0,1,0,0|1,0,2]=4 360 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [0,0,0,1,0,0|2,0,1]=4 361 B7R1.19 CC(=O)C1(CC1)C 1458a_100000756474_200000210301 [0,0,0,1,0,0|1,0,2]=4 362 B7R1.19 CC(=O)C1(CC1)F 1458a_100000055089_200000210301 [0,0,0,1,0,0|2,0,1]=4 363 B7R1.19 CC(=O)C1(CC1)O 1458a_100000241761_200000210301 [0,0,0,1,0,0|2,0,1]=4 364 B7R1.19 CC1(CC1)C(=O)[13CH3] 1458a_100000756474_200025704644 [0,0,0,1,0,0|1,0,2]=4 365 B7R1.19 [13CH3]C(=O)C1(CC1)F 1458a_100000055089_200025704644 [0,0,0,1,0,0|2,0,1]=4 366 B7R1.19 [13CH3]C(=O)C1(CC1)O 1458a_100000241761_200025704644 [0,0,0,1,0,0|2,0,1]=4 367 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [0,0,0,1,0,0|2,0,1]=4 368 B7R0.2 C=C(C#N)CC(=O)C 1458a_100000070787_100000694840 [0,0,0,0,0,1|2,0,1]=4 369 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,0,0,0,0,1|3,0,0]=4 370 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [0,0,0,0,0,1|3,0,0]=4 371 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,0,0,0,0,1|1,0,1]=3 372 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,0,0,0,0,1|1,0,1]=3 373 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,0,0,0,0,1|3,0,0]=4 374 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [0,0,0,0,0,1|3,0,0]=4 375 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [0,0,0,0,0,1|3,0,0]=4 376 B7R0.2 CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210202 [0,0,0,0,0,1|3,0,0]=4 377 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,0,0,0,0,1|2,0,0]=3 378 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,0,0,0,0,1|2,0,0]=3 379 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,0,0,0,0,1|2,0,0]=3 380 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,0,0,0,0,1|1,0,1]=3 381 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [0,0,0,0,0,1|2,0,1]=4 382 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [0,0,0,0,0,1|2,0,1]=4 383 B7R0.2 CCC(=O)C[N+](=O)[O-] 1458a_100000210414_100000761209 [0,0,0,0,0,1|2,0,1]=4 384 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,0,0,0,0,1|1,0,2]=4 385 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,0,0,0,0,1|1,0,2]=4 386 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,0,0,0,0,1|1,0,2]=4 387 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,0,0,0,0,1|1,0,2]=4 388 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,0,0,0,0,1|1,0,2]=4 389 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,0,0,0,0,1|1,0,2]=4 390 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,0,0,0,0,1|1,0,2]=4 391 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,0,0,0,0,1|2,0,1]=4 392 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,0,0,0,0,1|2,0,1]=4 393 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,0,0,0,0,1|2,0,1]=4 394 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [0,0,0,0,0,1|2,0,1]=4 395 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [0,0,0,0,0,1|2,0,1]=4 396 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [0,0,0,0,0,1|2,0,1]=4 397 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [0,0,0,0,0,1|2,0,1]=4 398 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [0,0,0,0,0,1|1,0,1]=3 399 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [0,0,0,0,0,1|1,0,1]=3 400 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [0,0,0,0,0,1|2,0,1]=4 401 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [0,0,0,0,0,1|1,0,2]=4 402 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [0,0,0,0,0,1|1,0,1]=3 403 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,0,0,0,0,1|1,0,2]=4 404 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [0,0,0,0,0,1|2,0,1]=4 405 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,0,0,0,0,1|3,0,0]=4 406 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [0,0,0,0,0,1|3,0,0]=4 407 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [0,0,0,0,0,1|3,0,0]=4 408 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,0,0,0,0,1|3,0,0]=4 409 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,0,0,0,0,1|3,0,0]=4 410 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,0,0,0,0,1|3,0,0]=4 411 B7R0.2 NC(=O)CC(=O)CF 1458a_100134613110_100015361967 [0,0,0,0,0,1|3,0,0]=4 412 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [0,0,0,0,0,1|3,0,0]=4 413 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [0,0,0,0,0,1|2,0,1]=4 414 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [2,0,0,0,0,0|1,0,0]=3 415 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [2,0,0,0,0,0|1,0,0]=3 416 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [2,0,0,0,0,0|1,0,1]=4 417 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [2,0,0,0,0,0|1,0,1]=4 418 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [2,0,0,0,0,0|0,0,1]=3 419 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [2,0,0,0,0,0|0,0,1]=3 420 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [2,0,0,0,0,0|0,0,1]=3 421 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [2,0,0,0,0,0|1,0,1]=4 422 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [2,0,0,0,0,0|1,0,1]=4 423 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [2,0,0,0,0,0|1,0,1]=4 424 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [2,0,0,0,0,0|1,0,1]=4 425 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [2,0,0,0,0,0|1,0,1]=4 426 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [2,0,0,0,0,0|1,0,1]=4 427 B4R0.2 CNCC=O 34a_100102657272_200009817547 [2,0,0,0,0,0|1,0,1]=4 428 B4R0.2 CNCC=O 7a_106832991635_200015260668 [2,0,0,0,0,0|1,0,1]=4 429 B4R0.2 COCC=O 34a_100138415774_200009817547 [2,0,0,0,0,0|1,0,1]=4 430 B4R0.2 CSCC=O 62a_200000210301_200015260668 [2,0,0,0,0,0|1,0,1]=4 431 B4R0.2 CSCC=O 62a_200015260668_200000210301 [2,0,0,0,0,0|1,0,1]=4 432 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [2,0,0,0,0,0|1,0,1]=4 433 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [2,0,0,0,0,0|1,0,1]=4 434 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [1,1,0,0,0,0|1,0,1]=4 435 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,1,0,0,0,0|1,0,1]=4 436 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [1,1,0,0,0,0|2,0,0]=4 437 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,1,0,0,0,0|1,0,1]=4 438 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [1,1,0,0,0,0|1,0,1]=4 439 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [1,1,0,0,0,0|1,0,1]=4 440 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [1,1,0,0,0,0|1,0,1]=4 441 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [1,1,0,0,0,0|1,0,1]=4 442 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,1,0,0,0,0|1,0,1]=4 443 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,1,0,0,0,0|1,0,1]=4 444 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [1,1,0,0,0,0|1,0,1]=4 445 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,1,0,0,0,0|0,0,1]=3 446 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [1,1,0,0,0,0|1,0,1]=4 447 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [1,1,0,0,0,0|1,0,1]=4 448 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [1,1,0,0,0,0|1,0,1]=4 449 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [1,1,0,0,0,0|1,0,1]=4 450 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,1,0,0,0,0|2,0,0]=4 451 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,1,0,0,0,0|2,0,0]=4 452 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,1,0,0,0,0|2,0,0]=4 453 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,1,0,0,0,0|1,0,0]=3 454 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,1,0,0,0,0|1,0,0]=3 455 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [1,1,0,0,0,0|2,0,0]=4 456 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [1,1,0,0,0,0|2,0,0]=4 457 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [1,1,0,0,0,0|2,0,0]=4 458 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [1,1,0,0,0,0|2,0,0]=4 459 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [1,1,0,0,0,0|2,0,0]=4 460 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [1,1,0,0,0,0|2,0,0]=4 461 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [1,1,0,0,0,0|1,0,1]=4 462 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [1,1,0,0,0,0|1,0,1]=4 463 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [1,1,0,0,0,0|1,0,1]=4 464 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [1,1,0,0,0,0|2,0,0]=4 465 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [1,1,0,0,0,0|1,0,1]=4 466 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [1,1,0,0,0,0|1,0,1]=4 467 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [1,1,0,0,0,0|1,0,1]=4 468 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [1,1,0,0,0,0|1,0,1]=4 469 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [1,1,0,0,0,0|1,0,1]=4 470 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [1,1,0,0,0,0|1,0,1]=4 471 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [1,1,0,0,0,0|1,0,1]=4 472 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [1,1,0,0,0,0|1,0,1]=4 473 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [1,1,0,0,0,0|1,0,1]=4 474 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [1,1,0,0,0,0|1,0,1]=4 475 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [1,1,0,0,0,0|1,0,1]=4 476 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [1,1,0,0,0,0|1,0,1]=4 477 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [1,1,0,0,0,0|1,0,1]=4 478 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [1,1,0,0,0,0|1,0,1]=4 479 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [1,1,0,0,0,0|1,0,1]=4 480 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,1,0,0,0,0|1,0,1]=4 481 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,1,0,0,0,0|1,0,1]=4 482 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [1,1,0,0,0,0|2,0,0]=4 483 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [1,1,0,0,0,0|2,0,0]=4 484 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [1,1,0,0,0,0|2,0,0]=4 485 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [1,1,0,0,0,0|2,0,0]=4 486 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [1,1,0,0,0,0|1,0,1]=4 487 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [1,1,0,0,0,0|1,0,1]=4 488 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [1,1,0,0,0,0|1,0,1]=4 489 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,1,0,0,0,0|1,0,1]=4 490 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,1,0,0,0,0|1,0,1]=4 491 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [1,1,0,0,0,0|2,0,0]=4 492 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [1,1,0,0,0,0|2,0,0]=4 493 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [1,1,0,0,0,0|2,0,0]=4 494 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [1,1,0,0,0,0|2,0,0]=4 495 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,1,0,0,0,0|1,0,1]=4 496 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,1,0,0,0,0|1,0,1]=4 497 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,1,0,0,0,0|1,0,1]=4 498 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,1,0,0,0,0|1,0,1]=4 499 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,1,0,0,0,0|1,0,1]=4 500 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,1,0,0,0,0|1,0,1]=4 501 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,1,0,0,0,0|2,0,0]=4 502 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,1,0,0,0,0|2,0,0]=4 503 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,1,0,0,0,0|2,0,0]=4 504 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,1,0,0,0,0|2,0,0]=4 505 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,1,0,0,0,0|2,0,0]=4 506 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,1,0,0,0,0|2,0,0]=4 507 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,1,0,0,0,0|2,0,0]=4 508 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,1,0,0,0,0|2,0,0]=4 509 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,1,0,0,0,0|1,0,1]=4 510 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,1,0,0,0,0|1,0,1]=4 511 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,1,0,0,0,0|1,0,1]=4 512 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,1,0,0,0,0|1,0,1]=4 513 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,1,0,0,0,0|1,0,1]=4 514 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,1,0,0,0,0|1,0,0]=3 515 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,1,0,0,0,0|1,0,0]=3 516 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,1,0,0,0,0|1,0,1]=4 517 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,1,0,0,0,0|1,0,1]=4 518 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,1,0,0,0,0|1,0,1]=4 519 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,1,0,0,0,0|1,0,1]=4 520 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,1,0,0,0,0|1,0,1]=4 521 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,1,0,0,0,0|1,0,1]=4 522 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,1,0,0,0,0|1,0,1]=4 523 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,1,0,0,0,0|1,0,1]=4 524 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,1,0,0,0,0|1,0,1]=4 525 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,1,0,0,0,0|0,0,1]=3 526 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,1,0,0,0,0|2,0,0]=4 527 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,1,0,0,0,0|1,0,1]=4 528 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,1,0,0,0,0|1,0,1]=4 529 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,1,0,0,0,0|1,0,1]=4 530 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,1,0,0,0,0|1,0,1]=4 531 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,1,0,0,0,0|0,0,2]=4 532 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,1,0,0,0,0|1,0,1]=4 533 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,1,0,0,0,0|1,0,1]=4 534 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,1,0,0,0,0|1,0,1]=4 535 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,1,0,0,0,0|1,0,1]=4 536 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,1,0,0,0,0|0,0,2]=4 537 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,1,0,0,0,0|0,0,2]=4 538 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [1,1,0,0,0,0|2,0,0]=4 539 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [1,1,0,0,0,0|2,0,0]=4 540 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [1,1,0,0,0,0|2,0,0]=4 541 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [1,1,0,0,0,0|2,0,0]=4 542 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,1,0,0,0,0|1,0,1]=4 543 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,1,0,0,0,0|1,0,1]=4 544 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,1,0,0,0,0|1,0,1]=4 545 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,1,0,0,0,0|1,0,1]=4 546 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,1,0,0,0,0|2,0,0]=4 547 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,1,0,0,0,0|1,0,1]=4 548 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,1,0,0,0,0|1,0,1]=4 549 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,1,0,0,0,0|1,0,1]=4 550 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [1,1,0,0,0,0|2,0,0]=4 551 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [1,1,0,0,0,0|2,0,0]=4 552 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,1,0,0,0,0|1,0,1]=4 553 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,1,0,0,0,0|1,0,1]=4 554 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,1,0,0,0,0|1,0,1]=4 555 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,1,0,0,0,0|1,0,1]=4 556 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,1,0,0,0,0|1,0,1]=4 557 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,1,0,0,0,0|1,0,1]=4 558 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,1,0,0,0,0|1,0,1]=4 559 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,1,0,0,0,0|1,0,1]=4 560 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,1,0,0,0,0|2,0,0]=4 561 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [1,1,0,0,0,0|2,0,0]=4 562 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [1,1,0,0,0,0|2,0,0]=4 563 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,1,0,0,0,0|1,0,1]=4 564 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,1,0,0,0,0|1,0,1]=4 565 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,1,0,0,0,0|1,0,1]=4 566 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,1,0,0,0,0|1,0,1]=4 567 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,1,0,0,0,0|1,0,1]=4 568 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,1,0,0,0,0|1,0,1]=4 569 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,1,0,0,0,0|1,0,1]=4 570 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,1,0,0,0,0|2,0,0]=4 571 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,1,0,0,0,0|2,0,0]=4 572 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [1,1,0,0,0,0|1,0,1]=4 573 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,1,0,0,0,0|1,0,1]=4 574 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,1,0,0,0,0|1,0,1]=4 575 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,1,0,0,0,0|1,0,1]=4 576 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,1,0,0,0,0|1,0,1]=4 577 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,1,0,0,0,0|1,0,1]=4 578 B6R0.9 CNC(C=O)C=O 2230a_106832991635_100000736813 [1,1,0,0,0,0|1,0,1]=4 579 B6R0.9 CNC(C=O)C=O 34a_100102657272_100000736813 [1,1,0,0,0,0|1,0,1]=4 580 B6R0.9 COC(C=O)C=O 34a_100138415774_100000736813 [1,1,0,0,0,0|1,0,1]=4 581 B6R0.9 CSC(C=O)C=O 62a_100000736813_200000210301 [1,1,0,0,0,0|1,0,1]=4 582 B6R0.9 CSC(C=O)C=O 62a_200000210301_100000736813 [1,1,0,0,0,0|1,0,1]=4 583 B6R0.9 [13CH3]SC(C=O)C=O 62a_100000736813_200025704644 [1,1,0,0,0,0|1,0,1]=4 584 B6R0.9 [13CH3]SC(C=O)C=O 62a_200025704644_100000736813 [1,1,0,0,0,0|1,0,1]=4 585 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [0,1,0,0,0,1|2,0,0]=4 586 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [0,1,0,0,0,1|2,0,0]=4 587 B8R0.2 CCC(=O)C(C)C(=O)N 1458a_100000210414_100000702099 [0,1,0,0,0,1|2,0,0]=4 588 B8R0.2 CCC(=O)C(F)C(=O)N 1458a_100000210414_100009813875 [0,1,0,0,0,1|2,0,0]=4 589 B8R0.2 CCC(=O)C(F)C(=O)[O-] 1458a_100000210414_100020610796 [0,1,0,0,0,1|1,0,1]=4 590 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [0,1,0,0,0,1|1,0,1]=4 591 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,1,0,0,0,1|1,0,0]=3 592 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,1,0,0,0,1|1,0,0]=3 593 B8R0.5 CC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183797 [0,1,0,0,0,1|2,0,0]=4 594 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [0,1,0,0,0,1|1,0,1]=4 595 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [0,1,0,0,0,1|1,0,1]=4 596 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,1,0,0,0,1|2,0,0]=4 597 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [0,1,0,0,0,1|2,0,0]=4 598 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [0,1,0,0,0,1|2,0,0]=4 599 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [0,1,0,0,0,1|1,0,1]=4 600 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [0,1,0,0,0,1|1,0,1]=4 601 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [0,1,0,0,0,1|2,0,0]=4 602 B8R0.5 CCNC(=O)CC(=O)N 240690a_100015525214_100134613110 [0,1,0,0,0,1|2,0,0]=4 603 B8R0.5 CCNC(=O)CC(=O)N 527a_100015525214_100134613110 [0,1,0,0,0,1|2,0,0]=4 604 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,1,0,0,0,1|2,0,0]=4 605 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,1,0,0,0,1|2,0,0]=4 606 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,1,0,0,0,1|2,0,0]=4 607 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [0,1,0,0,0,1|1,0,1]=4 608 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [0,1,0,0,0,1|1,0,1]=4 609 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [0,1,0,0,0,1|1,0,1]=4 610 B8R0.5 CNCC(=O)NC(=O)C 7a_106832991635_100000183797 [0,1,0,0,0,1|2,0,0]=4 611 B8R0.5 CNCC(=O)NC(=O)N 2230a_106832991635_100000182717 [0,1,0,0,0,1|2,0,0]=4 612 B8R0.5 CNCC(=O)NC(=O)N 7a_106832991635_100000182717 [0,1,0,0,0,1|2,0,0]=4 613 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [0,1,0,0,0,1|1,0,1]=4 614 B8R0.5 COCC(=O)CC(=O)N 1458a_100000210968_100000187820 [0,1,0,0,0,1|2,0,0]=4 615 B8R0.5 COCC(=O)CC(=O)[O-] 1458a_100000210968_100020667443 [0,1,0,0,0,1|1,0,1]=4 616 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [0,1,0,0,0,1|1,0,1]=4 617 B8R0.5 CSCC(=O)CC(=O)N 1458a_100000184570_100000187820 [0,1,0,0,0,1|2,0,0]=4 618 B8R0.5 CSCC(=O)CC(=O)[O-] 1458a_100000184570_100020667443 [0,1,0,0,0,1|1,0,1]=4 619 B8R0.5 CSCC(=O)NC(=O)C 62a_200000210301_100000183797 [0,1,0,0,0,1|2,0,0]=4 620 B8R0.5 CSCC(=O)NC(=O)N 62a_200000210301_100000182717 [0,1,0,0,0,1|2,0,0]=4 621 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [0,1,0,0,0,1|1,0,1]=4 622 B8R0.5 NC(=O)CC(=O)CCF 1458a_100134613110_100011217306 [0,1,0,0,0,1|2,0,0]=4 623 B8R0.5 NC(=O)CC(=O)CCO 1458a_100011216618_100000187820 [0,1,0,0,0,1|2,0,0]=4 624 B8R0.5 NC(=O)CC(=O)CCO 1458a_100134613110_100000211926 [0,1,0,0,0,1|2,0,0]=4 625 B8R0.5 O=C([O-])CC(=O)CCO 1458a_100011216618_100020667443 [0,1,0,0,0,1|1,0,1]=4 626 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [0,1,0,0,0,1|1,0,1]=4 627 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [0,1,0,0,0,1|1,0,1]=4 628 B8R0.5 [13CH3]SCC(=O)NC(=O)N 62a_200025704644_100000182717 [0,1,0,0,0,1|2,0,0]=4 629 B8R0.16 CCN(CC)CC(=O)O 269956a_100000746405_100000210202 [0,1,0,0,0,1|1,0,1]=4 630 B8R0.16 CCN(CF)CC(=O)O 269956a_100000746405_100015361967 [0,1,0,0,0,1|1,0,1]=4 631 B8R0.16 CC[C@H](CC(=O)O)NC 269956a_100016995926_200000210301 [0,1,0,0,0,1|0,0,2]=4 632 B8R0.16 CC[C@H](CC(=O)O)N[13CH3] 269956a_100016995926_200025704644 [0,1,0,0,0,1|0,0,2]=4 633 B8R0.19 C#CC(=O)CC(=O)CC 1458a_100000211873_100000747405 [0,1,0,0,0,1|2,0,0]=4 634 B8R0.19 C=C(C#N)CC(=O)CO 1458a_100000210174_100000694840 [0,1,0,0,0,1|1,0,1]=4 635 B8R0.19 C=CC(=O)CC(=O)CC 1458a_100000185746_100000747405 [0,1,0,0,0,1|2,0,0]=4 636 B8R0.19 CCC(=CC(=O)CF)C 1458a_100020758463_100015361967 [0,1,0,0,0,1|1,0,1]=4 637 B8R0.19 CCC(=CC(=O)NC)C 11a_106832991635_100020758463 [0,1,0,0,0,1|1,0,1]=4 638 B8R0.19 CCC(=CC(=O)NC)C 1626a_100102657272_100020758463 [0,1,0,0,0,1|1,0,1]=4 639 B8R0.19 CCC(=CC(=O)NC)C 240690a_100102657272_100020758463 [0,1,0,0,0,1|1,0,1]=4 640 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [0,1,0,0,0,1|1,0,1]=4 641 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [0,1,0,0,0,1|2,0,0]=4 642 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [0,1,0,0,0,1|1,0,0]=3 643 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [0,1,0,0,0,1|2,0,0]=4 644 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [0,1,0,0,0,1|1,0,0]=3 645 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [0,1,0,0,0,1|1,0,0]=3 646 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [0,1,0,0,0,1|0,0,2]=4 647 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [0,1,0,0,0,1|0,0,2]=4 648 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [0,1,0,0,0,1|0,0,2]=4 649 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [0,1,0,0,0,1|1,0,1]=4 650 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [0,1,0,0,0,1|1,0,1]=4 651 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [0,1,0,0,0,1|1,0,1]=4 652 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [0,1,0,0,0,1|1,0,1]=4 653 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [0,1,0,0,0,1|0,0,2]=4 654 B8R0.19 CNC(=O)CC(=O)CO 1458a_100000210174_100000183359 [0,1,0,0,0,1|2,0,0]=4 655 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [0,1,0,0,0,1|2,0,0]=4 656 B8R0.19 COC(=O)CC(=O)CF 1458a_100000211351_100015361967 [0,1,0,0,0,1|2,0,0]=4 657 B8R0.19 COC(=O)CC(=O)CO 1458a_100000210174_100000747449 [0,1,0,0,0,1|2,0,0]=4 658 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [0,1,0,0,0,1|2,0,0]=4 659 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100000210198_100000187820 [0,1,0,0,0,1|2,0,0]=4 660 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100134613110_100000210206 [0,1,0,0,0,1|2,0,0]=4 661 B8R0.23 CC(C)C(=O)CC(=O)[O-] 1458a_100000210198_100020667443 [0,1,0,0,0,1|1,0,1]=4 662 B8R0.23 CC(C)N(C)CC(=O)O 269956a_100000746989_100000210206 [0,1,0,0,0,1|1,0,1]=4 663 B8R0.23 CC(F)C(=O)CC(=O)N 1458a_100000062450_100000187820 [0,1,0,0,0,1|2,0,0]=4 664 B8R0.23 CC(F)C(=O)CC(=O)[O-] 1458a_100000062450_100020667443 [0,1,0,0,0,1|1,0,1]=4 665 B8R0.23 C[C@@H](O)C(=O)CC(=O)N 1458a_100000717761_100000187820 [0,1,0,0,0,1|2,0,0]=4 666 B8R0.23 C[C@@H](O)C(=O)CC(=O)[O-] 1458a_100000717761_100020667443 [0,1,0,0,0,1|1,0,1]=4 667 B8R0.23 C[C@H](O)C(=O)CC(=O)N 1458a_217856618621_100000187820 [0,1,0,0,0,1|2,0,0]=4 668 B8R0.23 C[C@H](O)C(=O)CC(=O)[O-] 1458a_217856618621_100020667443 [0,1,0,0,0,1|1,0,1]=4 669 B8R0.3 C/C=C(\C)/C(=O)CCO 1458a_100020587367_100000211926 [0,2,0,0,0,0|0,0,2]=4 670 B8R0.3 C=C(CNC)C(=O)OC 34a_100102657272_100009813391 [0,2,0,0,0,0|0,0,0]=2 671 B8R0.3 C=C(CO)C(=O)NNC 22a_100016993582_200000705526 [0,2,0,0,0,0|2,0,0]=4 672 B8R0.3 C=C(COC)C(=O)OC 34a_100138415774_100009813391 [0,2,0,0,0,0|0,0,0]=2 673 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [0,2,0,0,0,0|0,0,0]=2 674 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [0,2,0,0,0,0|0,0,0]=2 675 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [0,2,0,0,0,0|0,0,0]=2 676 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [0,2,0,0,0,0|0,0,0]=2 677 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [0,2,0,0,0,0|0,0,2]=4 678 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [0,2,0,0,0,0|1,0,1]=4 679 B8R0.3 CC/C=C(\C)/C(=O)CF 1458a_100016988807_100015361967 [0,2,0,0,0,0|1,0,1]=4 680 B8R0.3 CC/C=C(\C)/C(=O)NC 11a_106832991635_100016988807 [0,2,0,0,0,0|1,0,1]=4 681 B8R0.3 CC/C=C(\C)/C(=O)NC 1626a_100102657272_100016988807 [0,2,0,0,0,0|1,0,1]=4 682 B8R0.3 CC/C=C(\C)/C(=O)NC 240690a_100102657272_100016988807 [0,2,0,0,0,0|1,0,1]=4 683 B8R0.3 CC/C=C(\C)/C(=O)NC 527a_100102657272_100016988807 [0,2,0,0,0,0|1,0,1]=4 684 B8R0.3 CCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210202 [0,2,0,0,0,0|2,0,0]=4 685 B8R0.3 CCC(C)C(=O)CCO 1458a_100011192722_100000211926 [0,2,0,0,0,0|0,0,2]=4 686 B8R0.3 CCC(C)C(=O)CCO 1458a_100011216618_100000758301 [0,2,0,0,0,0|0,0,2]=4 687 B8R0.3 CCC(C)C(=O)COC 1458a_100000210968_100000758301 [0,2,0,0,0,0|0,0,2]=4 688 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [0,2,0,0,0,0|1,0,1]=4 689 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,2,0,0,0,0|2,0,0]=4 690 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,2,0,0,0,0|0,0,2]=4 691 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [0,2,0,0,0,0|1,0,1]=4 692 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [0,2,0,0,0,0|1,0,1]=4 693 B8R0.3 CCN(C)C(=O)CCO 240690a_100000225621_100011216618 [0,2,0,0,0,0|1,0,1]=4 694 B8R0.3 CCN(C)C(=O)COC 11a_100000225621_100000210968 [0,2,0,0,0,0|1,0,1]=4 695 B8R0.3 CCN(C)C(=O)COC 1626a_100000225621_100000210968 [0,2,0,0,0,0|1,0,1]=4 696 B8R0.3 CCN(C)C(=O)COC 240690a_100000225621_100000210968 [0,2,0,0,0,0|1,0,1]=4 697 B8R0.3 CCN(C)C(=O)COC 34a_100138415774_100000738999 [0,2,0,0,0,0|1,0,1]=4 698 B8R0.3 CCN(C)C(=O)COC 527a_100000225621_100000210968 [0,2,0,0,0,0|1,0,1]=4 699 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [0,2,0,0,0,0|2,0,0]=4 700 B8R0.3 CCNC(=O)C(=O)CF 1458a_200011297158_100015361967 [0,2,0,0,0,0|2,0,0]=4 701 B8R0.3 CCNC(=O)C(=O)NC 1626a_100102657272_200011297158 [0,2,0,0,0,0|2,0,0]=4 702 B8R0.3 CCNC(=O)C(=O)NC 240690a_100015525214_100011218921 [0,2,0,0,0,0|2,0,0]=4 703 B8R0.3 CCNC(=O)C(=O)NC 240690a_100102657272_200011297158 [0,2,0,0,0,0|2,0,0]=4 704 B8R0.3 CCNC(=O)C(=O)NC 527a_100015525214_100011218921 [0,2,0,0,0,0|2,0,0]=4 705 B8R0.3 CCNC(=O)C(=O)NC 527a_100102657272_200011297158 [0,2,0,0,0,0|2,0,0]=4 706 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,2,0,0,0,0|1,0,0]=3 707 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,2,0,0,0,0|1,0,0]=3 708 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,2,0,0,0,0|1,0,0]=3 709 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [0,2,0,0,0,0|0,0,2]=4 710 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [0,2,0,0,0,0|2,0,0]=4 711 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [0,2,0,0,0,0|2,0,0]=4 712 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [0,2,0,0,0,0|2,0,0]=4 713 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [0,2,0,0,0,0|0,0,2]=4 714 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [0,2,0,0,0,0|0,0,2]=4 715 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [0,2,0,0,0,0|0,0,2]=4 716 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [0,2,0,0,0,0|0,0,2]=4 717 B8R0.3 CN(CCO)C(=O)CO 240690a_100000210263_100000210174 [0,2,0,0,0,0|1,0,1]=4 718 B8R0.3 CN(CCO)C(=O)CO 527a_100000210263_100000210174 [0,2,0,0,0,0|1,0,1]=4 719 B8R0.3 CNC(=O)C(=O)CCF 1458a_100011218921_100011217306 [0,2,0,0,0,0|2,0,0]=4 720 B8R0.3 CNC(=O)C(=O)CCO 1458a_100011218921_100000211926 [0,2,0,0,0,0|2,0,0]=4 721 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [0,2,0,0,0,0|1,0,0]=3 722 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [0,2,0,0,0,0|0,0,2]=4 723 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [0,2,0,0,0,0|1,0,0]=3 724 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [0,2,0,0,0,0|1,0,0]=3 725 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [0,2,0,0,0,0|1,0,0]=3 726 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [0,2,0,0,0,0|1,0,0]=3 727 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [0,2,0,0,0,0|0,0,2]=4 728 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [0,2,0,0,0,0|0,0,2]=4 729 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [0,2,0,0,0,0|0,0,2]=4 730 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [0,2,0,0,0,0|0,0,2]=4 731 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [0,2,0,0,0,0|0,0,2]=4 732 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [0,2,0,0,0,0|0,0,2]=4 733 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [0,2,0,0,0,0|1,0,1]=4 734 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [0,2,0,0,0,0|1,0,1]=4 735 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [0,2,0,0,0,0|1,0,0]=3 736 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [0,2,0,0,0,0|0,0,2]=4 737 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [0,2,0,0,0,0|0,0,2]=4 738 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [0,2,0,0,0,0|0,0,2]=4 739 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [0,2,0,0,0,0|0,0,2]=4 740 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [0,2,0,0,0,0|1,0,1]=4 741 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [0,2,0,0,0,0|1,0,1]=4 742 B8R0.8 CC(=O)C(=O)CSCF 62a_100011261029_100015361967 [0,2,0,0,0,0|2,0,0]=4 743 B8R0.8 CC(=O)C(=O)CSCF 62a_100015361967_100011261029 [0,2,0,0,0,0|2,0,0]=4 744 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [0,2,0,0,0,0|0,0,2]=4 745 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [0,2,0,0,0,0|1,0,1]=4 746 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [0,2,0,0,0,0|1,0,1]=4 747 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,2,0,0,0,0|2,0,0]=4 748 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [0,2,0,0,0,0|2,0,0]=4 749 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,2,0,0,0,0|2,0,0]=4 750 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,2,0,0,0,0|0,0,2]=4 751 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,2,0,0,0,0|0,0,2]=4 752 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [0,2,0,0,0,0|1,0,1]=4 753 B8R0.8 CCNNC(=O)C(=O)N 22a_100000756455_100011215815 [0,2,0,0,0,0|2,0,0]=4 754 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [0,2,0,0,0,0|2,0,0]=4 755 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [0,2,0,0,0,0|2,0,0]=4 756 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [0,2,0,0,0,0|2,0,0]=4 757 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [0,2,0,0,0,0|0,0,2]=4 758 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [0,2,0,0,0,0|0,0,2]=4 759 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [0,2,0,0,0,0|0,0,2]=4 760 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [0,2,0,0,0,0|0,0,2]=4 761 B8R0.8 NC(=O)C(=O)NCCF 240690a_100000724931_100011215815 [0,2,0,0,0,0|2,0,0]=4 762 B8R0.8 NC(=O)C(=O)NCCO 240690a_100000210304_100011215815 [0,2,0,0,0,0|2,0,0]=4 763 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [0,2,0,0,0,0|1,0,1]=4 764 B8R0.12 CC(C)(CN[13CH3])C(=O)O 269956a_100000693527_200025704644 [0,2,0,0,0,0|0,0,2]=4 765 B8R0.12 CNCC(C)(C)C(=O)O 269956a_100000693527_200000210301 [0,2,0,0,0,0|0,0,2]=4 766 B8R0.12 CNCC(F)(F)C(=O)O 269956a_100000734215_200000210301 [0,2,0,0,0,0|1,0,1]=4 767 B8R0.12 [13CH3]NCC(F)(F)C(=O)O 269956a_100000734215_200025704644 [0,2,0,0,0,0|1,0,1]=4 768 B8R0.15 C=C[C@H](NCC)C(=O)O 269956a_100016992060_100000210202 [0,2,0,0,0,0|0,0,1]=3 769 B8R0.15 C=C[C@H](NCF)C(=O)O 269956a_100016992060_100015361967 [0,2,0,0,0,0|1,0,1]=4 770 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [0,2,0,0,0,0|0,0,2]=4 771 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [0,2,0,0,0,0|0,0,2]=4 772 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [0,2,0,0,0,0|0,0,2]=4 773 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [0,2,0,0,0,0|0,0,2]=4 774 B8R0.15 CC[C@@H](NCF)C(=O)O 269956a_100000747097_100015361967 [0,2,0,0,0,0|0,0,2]=4 775 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [0,2,0,0,0,0|0,0,2]=4 776 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [0,2,0,0,0,0|0,0,2]=4 777 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [0,2,0,0,0,0|0,0,2]=4 778 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [0,2,0,0,0,0|0,0,2]=4 779 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [0,2,0,0,0,0|0,0,2]=4 780 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [0,2,0,0,0,0|0,0,2]=4 781 B8R0.20 CCC(CC)C(=O)CO 1458a_100000210174_100000210505 [0,2,0,0,0,0|0,0,2]=4 782 B8R0.20 CCC(NC)C(=O)OC 2230a_106832991635_100000235869 [0,2,0,0,0,0|0,0,2]=4 783 B8R0.20 CCC(NC)C(=O)OC 34a_100102657272_100000235869 [0,2,0,0,0,0|0,0,2]=4 784 B8R0.20 CCC(NC)C(=O)OC 7a_106832991635_100000742303 [0,2,0,0,0,0|0,0,2]=4 785 B8R0.20 CCC(OC)C(=O)OC 34a_100000695916_200000210301 [0,2,0,0,0,0|0,0,2]=4 786 B8R0.20 CCC(OC)C(=O)OC 34a_100138415774_100000235869 [0,2,0,0,0,0|0,0,2]=4 787 B8R0.20 CCC(OC)C(=O)OC 7a_100000695916_200000210301 [0,2,0,0,0,0|0,0,2]=4 788 B8R0.20 CCC(O[13CH3])C(=O)OC 34a_100000695916_200025704644 [0,2,0,0,0,0|0,0,2]=4 789 B8R0.20 CCC(O[13CH3])C(=O)OC 7a_100000695916_200025704644 [0,2,0,0,0,0|0,0,2]=4 790 B8R0.20 CCC(SC)C(=O)OC 62a_100000235869_200000210301 [0,2,0,0,0,0|0,0,2]=4 791 B8R0.20 CCC(SC)C(=O)OC 62a_200000210301_100000235869 [0,2,0,0,0,0|0,0,2]=4 792 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_100000235869_200025704644 [0,2,0,0,0,0|0,0,2]=4 793 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_200025704644_100000235869 [0,2,0,0,0,0|0,0,2]=4 794 B8R0.20 CCN(CC)C(=O)CO 240690a_100000724800_100000210174 [0,2,0,0,0,0|1,0,1]=4 795 B8R0.20 CCN(CC)C(=O)CO 527a_100000724800_100000210174 [0,2,0,0,0,0|1,0,1]=4 796 B8R0.20 CNC(C=O)C(=O)OC 34a_100102657272_100000046368 [0,2,0,0,0,0|1,0,1]=4 797 B8R0.20 COC(=O)C(C=O)OC 34a_100138415774_100000046368 [0,2,0,0,0,0|1,0,1]=4 798 B8R0.20 COC(=O)C(C=O)SC 62a_100000046368_200000210301 [0,2,0,0,0,0|1,0,1]=4 799 B8R0.20 COC(=O)C(C=O)SC 62a_200000210301_100000046368 [0,2,0,0,0,0|1,0,1]=4 800 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_100000046368_200025704644 [0,2,0,0,0,0|1,0,1]=4 801 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_200025704644_100000046368 [0,2,0,0,0,0|1,0,1]=4 802 B8R0.36 CCC(C)(NC)C(=O)O 269956a_100025756313_200000210301 [0,2,0,0,0,0|0,0,2]=4 803 B8R0.36 CCC(C)(N[13CH3])C(=O)O 269956a_100025756313_200025704644 [0,2,0,0,0,0|0,0,2]=4 804 B8R0.18 CC(C)[C@@H](N[13CH3])C(=O)O 269956a_100000745019_200025704644 [0,2,0,0,0,0|0,0,2]=4 805 B8R0.18 CC(O)C(N[13CH3])C(=O)O 269956a_100000185852_200025704644 [0,2,0,0,0,0|0,0,2]=4 806 B8R0.18 CCC(C(=O)C)C(=O)N 1458a_100000070787_100000750255 [0,2,0,0,0,0|1,0,1]=4 807 B8R0.18 CNC(C(=O)O)C(C)O 269956a_100000185852_200000210301 [0,2,0,0,0,0|0,0,2]=4 808 B8R0.18 CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000210301 [0,2,0,0,0,0|0,0,2]=4 809 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [1,0,0,1,0,0|1,0,1]=4 810 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [1,0,0,1,0,0|1,0,1]=4 811 B8R1.1 CCc1cc(cs1)O 271570a_203496583355_100009846239 [0,0,0,1,0,1|2,0,0]=4 812 B8R1.1 CCc1ccc(s1)O 271570a_203496583355_100009844052 [0,0,0,1,0,1|1,0,0]=3 813 B8R1.1 CCc1nc(no1)O 271570a_203496583355_100012003642 [0,0,0,1,0,1|2,0,0]=4 814 B8R1.1 CCc1noc(n1)C 270196a_200000212204_100000070787 [0,0,0,1,0,1|2,0,0]=4 815 B8R1.1 CCc1noc(n1)O 270196a_200000212204_100015183105 [0,0,0,1,0,1|1,0,1]=4 816 B8R1.1 CCn1ccc(n1)O 271570a_203496583355_100012350556 [0,0,0,1,0,1|2,0,0]=4 817 B8R1.1 CCn1cnc(c1)O 271570a_203496583355_100010368372 [0,0,0,1,0,1|2,0,0]=4 818 B8R1.1 NCc1ccc(o1)O 271570a_203496583355_100000708654 [0,0,0,1,0,1|2,0,0]=4 819 B8R1.1 NCc1ccc(s1)O 271570a_203496583355_100000737305 [0,0,0,1,0,1|2,0,0]=4 820 B8R1.1 NCc1cnc(s1)O 271570a_203496583355_100000726991 [0,0,0,1,0,1|2,0,0]=4 821 B8R1.1 OCc1ccc(o1)O 271570a_203496583355_100000246276 [0,0,0,1,0,1|2,0,0]=4 822 B8R1.1 OCc1ccc(s1)O 271570a_203496583355_100000246291 [0,0,0,1,0,1|2,0,0]=4 823 B8R1.1 OCc1cnc(s1)O 271570a_203496583355_100009816753 [0,0,0,1,0,1|2,0,0]=4 824 B8R1.1 OCc1csc(n1)O 271570a_203496583355_100009816749 [0,0,0,1,0,1|1,1,0]=4 825 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,0,0,1,0,1|1,0,1]=4 826 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,0,0,1,0,1|1,0,1]=4 827 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [0,0,0,1,0,1|2,0,0]=4 828 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [0,0,0,1,0,1|1,0,1]=4 829 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [0,0,0,1,0,1|1,0,1]=4 830 B8R1.34 CC(=O)C=C1CCC1 1458a_100000686340_200000210301 [0,0,0,1,0,1|1,0,1]=4 831 B8R1.34 [13CH3]C(=O)C=C1CCC1 1458a_100000686340_200025704644 [0,0,0,1,0,1|1,0,1]=4 832 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,1,0,1,0,0|1,0,0]=3 833 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [0,1,0,1,0,0|1,0,0]=3 834 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [0,1,0,1,0,0|1,0,0]=3 835 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,1,0,1,0,0|1,0,0]=3 836 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [0,1,0,1,0,0|1,0,0]=3 837 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [0,1,0,1,0,0|1,0,0]=3 838 B8R1.11 CCc1ccsc1O 271570a_203496583355_200009875468 [0,1,0,1,0,0|0,1,0]=3 839 B8R1.11 CCc1cscc1O 271570a_203496583355_100011068457 [0,1,0,1,0,0|0,1,0]=3 840 B8R1.11 CCn1ccnc1O 271570a_203496583355_100011617267 [0,1,0,1,0,0|2,0,0]=4 841 B8R1.11 CCn1nccc1O 271570a_203496583355_100000728327 [0,1,0,1,0,0|2,0,0]=4 842 B8R1.11 CCn1ncnc1O 271570a_203496583355_100009879425 [0,1,0,1,0,0|2,0,0]=4 843 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [0,1,0,1,0,0|0,0,2]=4 844 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [0,1,0,1,0,0|0,0,2]=4 845 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [0,1,0,1,0,0|0,0,2]=4 846 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [0,1,0,1,0,0|0,0,2]=4 847 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [0,1,0,1,0,0|0,0,2]=4 848 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [0,1,0,1,0,0|0,0,2]=4 849 B8R1.11 CSc1cnoc1C 62a_100009872056_200000210301 [0,1,0,1,0,0|2,0,0]=4 850 B8R1.11 CSc1cnoc1C 62a_200000210301_100009872056 [0,1,0,1,0,0|2,0,0]=4 851 B8R1.11 CSc1conc1N 62a_100012597345_200000210301 [0,1,0,1,0,0|2,0,0]=4 852 B8R1.11 CSc1conc1N 62a_200000210301_100012597345 [0,1,0,1,0,0|2,0,0]=4 853 B8R1.11 CSc1sccc1O 271570a_203496583355_200010341309 [0,1,0,1,0,0|2,0,0]=4 854 B8R1.11 Cc1oncc1S[13CH3] 62a_100009872056_200025704644 [0,1,0,1,0,0|2,0,0]=4 855 B8R1.11 Cc1oncc1S[13CH3] 62a_200025704644_100009872056 [0,1,0,1,0,0|2,0,0]=4 856 B8R1.11 NCc1ccsc1O 271570a_203496583355_100000727803 [0,1,0,1,0,0|1,1,0]=4 857 B8R1.11 OCc1ccsc1O 271570a_203496583355_100009816922 [0,1,0,1,0,0|1,1,0]=4 858 B8R1.11 OCc1cscc1O 271570a_203496583355_100000724555 [0,1,0,1,0,0|1,1,0]=4 859 B8R1.11 OCc1sccc1O 271570a_203496583355_100000702026 [0,1,0,1,0,0|2,0,0]=4 860 B8R1.11 OCc1scnc1O 271570a_203496583355_100012000948 [0,1,0,1,0,0|2,0,0]=4 861 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [0,1,0,1,0,0|0,0,2]=4 862 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [0,1,0,1,0,0|0,0,2]=4 863 B8R1.11 [13CH3]Sc1conc1N 62a_100012597345_200025704644 [0,1,0,1,0,0|2,0,0]=4 864 B8R1.11 [13CH3]Sc1conc1N 62a_200025704644_100012597345 [0,1,0,1,0,0|2,0,0]=4 865 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [0,1,0,1,0,0|0,0,2]=4 866 B8R1.38 O=C(CO)N1CCC1 240690a_100000754969_100000210174 [0,1,0,1,0,0|1,0,1]=4 867 B8R1.38 O=C(CO)N1CCC1 527a_100000754969_100000210174 [0,1,0,1,0,0|1,0,1]=4 868 B8R1.63 CNC1(CC1)C(=O)O 269956a_100000746478_200000210301 [0,1,0,1,0,0|0,0,2]=4 869 B8R1.63 [13CH3]NC1(CC1)C(=O)O 269956a_100000746478_200025704644 [0,1,0,1,0,0|0,0,2]=4 870 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [0,0,0,0,0,2|2,0,0]=4 871 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [0,0,0,0,0,2|2,0,0]=4 872 B8R0.9 CCC(=O)CNC(=O)N 1458a_100000184981_100000210202 [0,0,0,0,0,2|2,0,0]=4 873 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [0,0,0,0,0,2|2,0,0]=4 874 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [0,0,0,0,0,2|2,0,0]=4 875 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [0,0,0,0,0,2|2,0,0]=4 876 B8R0.9 CCC(=O)NCC(=O)N 11a_100000711301_100000210414 [0,0,0,0,0,2|2,0,0]=4 877 B8R0.9 CCC(=O)NCC(=O)N 240690a_100000711301_100000210414 [0,0,0,0,0,2|2,0,0]=4 878 B8R0.9 CCC(=O)NCC(=O)N 527a_100000711301_100000210414 [0,0,0,0,0,2|2,0,0]=4 879 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [0,0,0,0,0,2|2,0,0]=4 880 B8R0.9 CCC(=O)NNC(=O)C 22a_100000183195_100000070787 [0,0,0,0,0,2|2,0,0]=4 881 B8R0.9 CCC(=O)NNC(=O)C 22a_100000189765_100000210414 [0,0,0,0,0,2|2,0,0]=4 882 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,0,0,0,0,2|0,0,2]=4