0 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [0,0,0,0,0,0|3,0,0]=3 1 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [0,0,0,0,0,0|3,0,0]=3 2 B3R0.2 CN(C)C 2230a_100102631434_200000210301 [0,0,0,0,0,0|3,0,1]=4 3 B3R0.2 CN(C)C 269982a_100102631434_200000210301 [0,0,0,0,0,0|3,0,1]=4 4 B3R0.2 CN(C)[13CH3] 2230a_100102631434_200025704644 [0,0,0,0,0,0|3,0,1]=4 5 B3R0.2 CN(C)[13CH3] 269982a_100102631434_200025704644 [0,0,0,0,0,0|3,0,1]=4 6 B2R0.1 CNC 2230a_106832991635_200000210301 [1,0,0,0,0,0|2,0,1]=4 7 B2R0.1 CNC 34a_100102657272_200000210301 [1,0,0,0,0,0|2,0,1]=4 8 B2R0.1 CNC 7a_106832991635_200000210301 [1,0,0,0,0,0|2,0,1]=4 9 B2R0.1 CN[13CH3] 2230a_106832991635_200025704644 [1,0,0,0,0,0|2,0,1]=4 10 B2R0.1 CN[13CH3] 34a_100102657272_200025704644 [1,0,0,0,0,0|2,0,1]=4 11 B2R0.1 CN[13CH3] 7a_106832991635_200025704644 [1,0,0,0,0,0|2,0,1]=4 12 B2R0.1 COC 34a_100138415774_200000210301 [1,0,0,0,0,0|3,0,0]=4 13 B2R0.1 CO[13CH3] 34a_100138415774_200025704644 [1,0,0,0,0,0|3,0,0]=4 14 B2R0.1 CSC 62a_200000210301_200000210301 [1,0,0,0,0,0|3,0,0]=4 15 B2R0.1 CS[13CH3] 62a_200000210301_200025704644 [1,0,0,0,0,0|3,0,0]=4 16 B2R0.1 CS[13CH3] 62a_200025704644_200000210301 [1,0,0,0,0,0|3,0,0]=4 17 B2R0.1 [13CH3]S[13CH3] 62a_200025704644_200025704644 [1,0,0,0,0,0|3,0,0]=4 18 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [0,1,0,0,0,0|3,0,0]=4 19 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [0,1,0,0,0,0|3,0,0]=4 20 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [0,1,0,0,0,0|3,0,0]=4 21 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [0,1,0,0,0,0|3,0,0]=4 22 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [0,1,0,0,0,0|3,0,0]=4 23 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [0,1,0,0,0,0|2,0,0]=3 24 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [0,1,0,0,0,0|3,0,0]=4 25 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [0,1,0,0,0,0|3,0,0]=4 26 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [0,1,0,0,0,0|3,0,0]=4 27 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [0,1,0,0,0,0|3,0,0]=4 28 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [0,1,0,0,0,0|3,0,0]=4 29 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [0,1,0,0,0,0|3,0,0]=4 30 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [0,1,0,0,0,0|3,0,0]=4 31 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [0,1,0,0,0,0|3,0,0]=4 32 B4R0.1 COC(C)C 34a_100000212225_200000210301 [0,1,0,0,0,0|3,0,0]=4 33 B4R0.1 COC(C)C 34a_100138415774_100000210206 [0,1,0,0,0,0|3,0,0]=4 34 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [0,1,0,0,0,0|2,0,0]=3 35 B3R0.1 CCOC 34a_100121572206_200000210301 [1,1,0,0,0,0|2,0,0]=4 36 B3R0.1 CCOC 34a_100138415774_100000210202 [1,1,0,0,0,0|2,0,0]=4 37 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [1,1,0,0,0,0|2,0,0]=4 38 B3R0.1 COCF 34a_100138415774_100015361967 [1,1,0,0,0,0|2,0,0]=4 39 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [0,2,0,0,0,0|2,0,0]=4 40 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [0,2,0,0,0,0|2,0,0]=4 41 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [0,2,0,0,0,0|2,0,0]=4 42 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [0,2,0,0,0,0|2,0,0]=4 43 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [0,2,0,0,0,0|2,0,0]=4 44 B5R0.1 CNC[N+](=O)[O-] 34a_100102657272_100000761209 [0,2,0,0,0,0|1,0,0]=3 45 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [0,2,0,0,0,0|2,0,0]=4 46 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [0,2,0,0,0,0|2,0,0]=4 47 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [0,2,0,0,0,0|2,0,0]=4 48 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [0,2,0,0,0,0|2,0,0]=4 49 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [0,2,0,0,0,0|1,0,0]=3 50 B5R0.1 COC[N+](=O)[O-] 34a_100138415774_100000761209 [0,2,0,0,0,0|0,0,0]=2 51 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [0,2,0,0,0,0|1,1,0]=4 52 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [0,2,0,0,0,0|1,1,0]=4 53 B5R0.1 CSC[N+](=O)[O-] 62a_200000210301_100000761209 [0,2,0,0,0,0|0,1,0]=3 54 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [0,2,0,0,0,0|2,0,0]=4 55 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [0,2,0,0,0,0|2,0,0]=4 56 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [0,2,0,0,0,0|1,1,0]=4 57 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [0,2,0,0,0,0|1,1,0]=4 58 B5R0.1 [13CH3]SC[N+](=O)[O-] 62a_200025704644_100000761209 [0,2,0,0,0,0|0,1,0]=3 59 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [0,2,0,0,0,0|2,0,0]=4 60 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [0,2,0,0,0,0|2,0,0]=4 61 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [0,2,0,0,0,0|2,0,0]=4 62 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [0,2,0,0,0,0|2,0,0]=4 63 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [0,2,0,0,0,0|1,0,1]=4 64 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [0,2,0,0,0,0|2,0,0]=4 65 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [0,2,0,0,0,0|2,0,0]=4 66 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [0,2,0,0,0,0|2,0,0]=4 67 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [0,2,0,0,0,0|2,0,0]=4 68 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [0,2,0,0,0,0|1,0,1]=4