0 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [0,0,0,0,0,0|3,0,0]=3 1 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [0,0,0,0,0,0|3,0,0]=3 2 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [0,0,0,0,0,0|3,0,0]=3 3 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [0,0,0,0,0,0|3,0,0]=3 4 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [0,0,0,0,0,0|3,0,0]=3 5 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [0,0,0,0,0,0|2,0,0]=2 6 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [0,0,0,0,0,0|3,0,0]=3 9 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [0,0,0,0,0,0|3,0,0]=3 10 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [0,0,0,0,0,0|3,0,0]=3 11 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [0,0,0,0,0,0|2,0,0]=2 12 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [0,0,0,0,0,0|2,0,0]=2 13 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [0,0,0,0,0,0|2,0,0]=2 14 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [0,0,0,0,0,0|2,0,0]=2 15 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [0,0,0,0,0,0|3,0,1]=4 16 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [0,0,0,0,0,0|3,0,1]=4 17 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [0,0,0,0,0,0|3,0,1]=4 18 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [0,0,0,0,0,0|3,0,1]=4 19 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [0,0,0,0,0,0|3,0,1]=4 20 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [0,0,0,0,0,0|2,0,0]=2 21 B3R0.1 CCNC 2230a_100015525214_200000210301 [1,0,0,0,0,0|2,0,1]=4 22 B3R0.1 CCNC 2230a_106832991635_100000210202 [1,0,0,0,0,0|2,0,1]=4 23 B3R0.1 CCNC 34a_100102657272_100000210202 [1,0,0,0,0,0|2,0,1]=4 24 B3R0.1 CCNC 7a_106832991635_100000210202 [1,0,0,0,0,0|2,0,1]=4 25 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [1,0,0,0,0,0|2,0,1]=4 26 B3R0.1 CNCF 34a_100102657272_100015361967 [1,0,0,0,0,0|2,0,1]=4 27 B3R0.1 CNCF 7a_106832991635_100015361967 [1,0,0,0,0,0|2,0,1]=4 28 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [1,0,0,0,0,0|2,0,0]=3 29 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [0,1,0,0,0,0|3,0,0]=4 31 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [0,1,0,0,0,0|3,0,0]=4 32 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [0,1,0,0,0,0|3,0,0]=4 33 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [0,1,0,0,0,0|3,0,0]=4 34 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [0,1,0,0,0,0|3,0,0]=4 35 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [0,1,0,0,0,0|3,0,0]=4 36 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [0,1,0,0,0,0|3,0,0]=4 37 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [0,1,0,0,0,0|3,0,0]=4 38 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [0,1,0,0,0,0|3,0,0]=4 39 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [0,1,0,0,0,0|3,0,0]=4 40 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [0,1,0,0,0,0|3,0,0]=4 41 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [0,1,0,0,0,0|3,0,0]=4 42 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [0,1,0,0,0,0|3,0,0]=4 43 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [0,1,0,0,0,0|3,0,0]=4 44 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [0,1,0,0,0,0|3,0,0]=4 45 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [0,1,0,0,0,0|3,0,0]=4 46 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [0,1,0,0,0,0|3,0,0]=4 47 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [0,1,0,0,0,0|3,0,0]=4 48 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [0,1,0,0,0,0|3,0,0]=4 49 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [0,1,0,0,0,0|3,0,0]=4 50 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [0,1,0,0,0,0|3,0,0]=4 51 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [0,1,0,0,0,0|3,0,0]=4 52 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [0,1,0,0,0,0|3,0,0]=4 53 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [0,1,0,0,0,0|3,0,0]=4 54 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [0,1,0,0,0,0|3,0,0]=4 55 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [0,1,0,0,0,0|3,0,0]=4 56 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [0,1,0,0,0,0|2,0,0]=3 57 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [0,1,0,0,0,0|2,0,0]=3 58 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [0,1,0,0,0,0|2,0,0]=3 59 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [0,1,0,0,0,0|3,0,0]=4 60 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [0,1,0,0,0,0|3,0,0]=4 61 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [0,1,0,0,0,0|3,0,0]=4 62 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [0,1,0,0,0,0|3,0,0]=4 63 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [0,1,0,0,0,0|3,0,0]=4 64 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [0,1,0,0,0,0|2,0,0]=3 65 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [0,1,0,0,0,0|2,0,0]=3 66 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [0,1,0,0,0,0|2,0,0]=3 67 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [0,1,0,0,0,0|1,0,0]=2 68 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [0,1,0,0,0,0|1,0,0]=2 69 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [0,1,0,0,0,0|1,0,0]=2 70 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [0,1,0,0,0,0|1,0,0]=2 71 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [0,1,0,0,0,0|2,0,0]=3 72 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [0,1,0,0,0,0|2,0,0]=3 73 B5R0.1 CNC[N+](=O)[O-] 34a_100102657272_100000761209 [0,1,0,0,0,0|3,0,0]=4 74 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [0,1,0,0,0,0|2,0,0]=3 75 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [0,1,0,0,0,0|2,0,0]=3 76 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [0,1,0,0,0,0|2,0,0]=3 77 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [0,1,0,0,0,0|1,0,0]=2 78 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [0,1,0,0,0,0|2,0,0]=3 79 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [0,1,0,0,0,0|2,0,0]=3 80 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [0,1,0,0,0,0|2,0,1]=4 81 B5R0.1 COC[N+](=O)[O-] 34a_100138415774_100000761209 [0,1,0,0,0,0|3,0,0]=4 82 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [0,1,0,0,0,0|2,1,0]=4 83 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [0,1,0,0,0,0|1,1,0]=3 84 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [0,1,0,0,0,0|1,1,0]=3 85 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [0,1,0,0,0,0|2,1,0]=4 86 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [0,1,0,0,0,0|2,1,0]=4 87 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [0,1,0,0,0,0|2,1,0]=4 88 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [0,1,0,0,0,0|2,0,1]=4 89 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [0,1,0,0,0,0|3,0,0]=4 90 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [0,1,0,0,0,0|3,0,0]=4 91 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [0,1,0,0,0,0|3,0,0]=4 92 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [0,1,0,0,0,0|3,0,0]=4 93 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [0,1,0,0,0,0|2,0,0]=3 94 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [0,1,0,0,0,0|1,0,0]=2 95 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [0,1,0,0,0,0|2,0,0]=3 96 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [0,1,0,0,0,0|1,1,0]=3 97 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [0,1,0,0,0,0|1,1,0]=3 98 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [0,1,0,0,0,0|2,1,0]=4 99 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [0,1,0,0,0,0|2,1,0]=4 100 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [0,1,0,0,0,0|3,0,0]=4 101 B5R0.3 C#CC(=O)CF 1458a_100000211873_100015361967 [0,1,0,0,0,0|3,0,0]=4 102 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [0,1,0,0,0,0|3,0,0]=4 103 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [0,1,0,0,0,0|3,0,0]=4 104 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [0,1,0,0,0,0|2,0,0]=3 105 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [0,1,0,0,0,0|2,0,0]=3 106 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [0,1,0,0,0,0|3,0,0]=4 107 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [0,1,0,0,0,0|3,0,0]=4 108 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [0,1,0,0,0,0|2,0,0]=3 109 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [0,1,0,0,0,0|2,0,0]=3 110 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [0,1,0,0,0,0|2,0,0]=3 111 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [0,1,0,0,0,0|2,0,0]=3 112 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [0,1,0,0,0,0|2,0,0]=3 113 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [0,1,0,0,0,0|1,0,0]=2 114 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [0,1,0,0,0,0|1,0,0]=2 115 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [0,1,0,0,0,0|1,0,0]=2 116 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [0,1,0,0,0,0|1,0,0]=2 117 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [0,1,0,0,0,0|1,0,0]=2 118 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [0,1,0,0,0,0|2,0,1]=4 119 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [0,1,0,0,0,0|2,0,1]=4 120 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [0,1,0,0,0,0|2,0,1]=4 121 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [0,1,0,0,0,0|2,0,1]=4 122 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [0,1,0,0,0,0|2,0,1]=4 123 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [0,1,0,0,0,0|2,0,0]=3 124 B5R0.4 CNS(=O)(=O)C 40a_100102657272_100000738038 [0,1,0,0,0,0|3,0,0]=4 125 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [0,1,0,0,0,0|3,0,0]=4 126 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [0,1,0,0,0,0|3,0,0]=4 127 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [0,1,0,0,0,0|3,0,0]=4 128 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [0,1,0,0,0,0|3,0,0]=4 129 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [0,1,0,0,0,0|3,0,0]=4 130 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [0,1,0,0,0,0|2,0,0]=3 131 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [0,1,0,0,0,0|2,0,0]=3 132 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [0,1,0,0,0,0|2,0,0]=3 133 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [0,1,0,0,0,0|2,0,0]=3 134 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [0,1,0,0,0,0|2,0,0]=3 135 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [0,1,0,0,0,0|2,0,0]=3 136 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [0,1,0,0,0,0|2,0,0]=3 137 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [0,1,0,0,0,0|3,0,0]=4 138 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [0,1,0,0,0,0|3,0,0]=4 139 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [0,1,0,0,0,0|2,0,0]=3 140 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [0,1,0,0,0,0|2,0,0]=3 141 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [0,1,0,0,0,0|2,0,0]=3 142 B2R0.1 CNC 2230a_106832991635_200000210301 [2,0,0,0,0,0|1,0,1]=4 143 B2R0.1 CNC 34a_100102657272_200000210301 [2,0,0,0,0,0|1,0,1]=4 144 B2R0.1 CNC 7a_106832991635_200000210301 [2,0,0,0,0,0|1,0,1]=4 145 B2R0.1 CN[13CH3] 2230a_106832991635_200025704644 [2,0,0,0,0,0|1,0,1]=4 146 B2R0.1 CN[13CH3] 34a_100102657272_200025704644 [2,0,0,0,0,0|1,0,1]=4 147 B2R0.1 CN[13CH3] 7a_106832991635_200025704644 [2,0,0,0,0,0|1,0,1]=4 148 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [1,1,0,0,0,0|2,0,0]=4 149 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [1,1,0,0,0,0|2,0,0]=4 150 B4R0.2 C=CCNC 34a_100102657272_100015514636 [1,1,0,0,0,0|2,0,0]=4 151 B4R0.2 C=CCNC 7a_106832991635_100015514636 [1,1,0,0,0,0|2,0,0]=4 152 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [1,1,0,0,0,0|2,0,0]=4 153 B4R0.2 C=CCOC 34a_100138415774_100015514636 [1,1,0,0,0,0|2,0,0]=4 154 B4R0.2 C=CCOC 34a_200000210373_200000210301 [1,1,0,0,0,0|2,0,0]=4 155 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [1,1,0,0,0,0|2,0,0]=4 156 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [1,1,0,0,0,0|1,0,0]=3 157 B4R0.2 CNCC=O 34a_100102657272_200009817547 [1,1,0,0,0,0|1,0,0]=3 158 B4R0.2 CNCC=O 7a_106832991635_200015260668 [1,1,0,0,0,0|1,0,0]=3 159 B4R0.2 CNCCO 2230a_100016997473_200000210301 [1,1,0,0,0,0|1,0,1]=4 160 B4R0.2 CNCCO 2230a_106832991635_100000211926 [1,1,0,0,0,0|1,0,1]=4 161 B4R0.2 CNCCO 34a_100016990907_200000210301 [1,1,0,0,0,0|1,0,1]=4 162 B4R0.2 CNCCO 34a_100102657272_100000211926 [1,1,0,0,0,0|1,0,1]=4 163 B4R0.2 CNCCO 7a_106832991635_100000211926 [1,1,0,0,0,0|1,0,1]=4 164 B4R0.2 COCC=O 34a_100138415774_200009817547 [1,1,0,0,0,0|1,0,0]=3 165 B4R0.2 COCCN 34a_100000210304_200000210301 [1,1,0,0,0,0|1,0,1]=4 166 B4R0.2 CSCC=O 62a_200000210301_200015260668 [1,1,0,0,0,0|1,1,0]=4 167 B4R0.2 CSCC=O 62a_200015260668_200000210301 [1,1,0,0,0,0|1,1,0]=4 168 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [1,1,0,0,0,0|1,0,1]=4 169 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [1,1,0,0,0,0|1,0,1]=4 170 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [1,1,0,0,0,0|1,0,1]=4 171 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [1,1,0,0,0,0|1,1,0]=4 172 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [1,1,0,0,0,0|1,1,0]=4 173 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [0,2,0,0,0,0|2,0,0]=4 174 B6R0.1 C#CCC(=O)CO 1458a_100000210174_100000184674 [0,2,0,0,0,0|2,0,0]=4 175 B6R0.1 C#CCC(=O)NC 1626a_100102657272_100011220946 [0,2,0,0,0,0|2,0,0]=4 176 B6R0.1 C#CCC(=O)NC 527a_100102657272_100011220946 [0,2,0,0,0,0|2,0,0]=4 177 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [0,2,0,0,0,0|2,0,0]=4 178 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [0,2,0,0,0,0|2,0,0]=4 179 B6R0.1 C=CC(=O)NNC 22a_100016993582_100000185746 [0,2,0,0,0,0|2,0,0]=4 180 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [0,2,0,0,0,0|2,0,0]=4 181 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [0,2,0,0,0,0|2,0,0]=4 182 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [0,2,0,0,0,0|2,0,0]=4 183 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [0,2,0,0,0,0|2,0,0]=4 184 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [0,2,0,0,0,0|2,0,0]=4 185 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [0,2,0,0,0,0|2,0,0]=4 186 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [0,2,0,0,0,0|2,0,0]=4 187 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [0,2,0,0,0,0|2,0,0]=4 188 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [0,2,0,0,0,0|2,0,0]=4 189 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [0,2,0,0,0,0|2,0,0]=4 190 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [0,2,0,0,0,0|2,0,0]=4 191 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,2,0,0,0,0|2,0,0]=4 192 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,2,0,0,0,0|2,0,0]=4 193 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,2,0,0,0,0|2,0,0]=4 194 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [0,2,0,0,0,0|2,0,0]=4 195 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,2,0,0,0,0|2,0,0]=4 196 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,2,0,0,0,0|2,0,0]=4 197 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,2,0,0,0,0|2,0,0]=4 198 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,2,0,0,0,0|2,0,0]=4 199 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,2,0,0,0,0|2,0,0]=4 200 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,2,0,0,0,0|2,0,0]=4 201 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,2,0,0,0,0|2,0,0]=4 202 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,2,0,0,0,0|2,0,0]=4 203 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,2,0,0,0,0|1,0,0]=3 204 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,2,0,0,0,0|1,0,0]=3 205 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,2,0,0,0,0|1,0,0]=3 206 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,2,0,0,0,0|1,0,0]=3 207 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,2,0,0,0,0|1,0,0]=3 208 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,2,0,0,0,0|1,0,0]=3 209 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,2,0,0,0,0|1,0,0]=3 210 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,2,0,0,0,0|1,0,0]=3 211 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [0,2,0,0,0,0|2,0,0]=4 212 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [0,2,0,0,0,0|2,0,0]=4 213 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [0,2,0,0,0,0|2,0,0]=4 214 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [0,2,0,0,0,0|2,0,0]=4 215 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [0,2,0,0,0,0|2,0,0]=4 216 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [0,2,0,0,0,0|2,0,0]=4 217 B6R0.1 CNC(=O)CC#N 1626a_100102657272_100051588842 [0,2,0,0,0,0|1,0,1]=4 218 B6R0.1 CNC(=O)CC#N 240690a_100102657272_100051588842 [0,2,0,0,0,0|1,0,1]=4 219 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [0,2,0,0,0,0|1,0,0]=3 220 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [0,2,0,0,0,0|1,0,0]=3 221 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [0,2,0,0,0,0|1,0,0]=3 222 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [0,2,0,0,0,0|1,0,0]=3 223 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [0,2,0,0,0,0|1,0,0]=3 224 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [0,2,0,0,0,0|1,0,0]=3 225 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [0,2,0,0,0,0|1,0,0]=3 226 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [0,2,0,0,0,0|1,0,0]=3 227 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [0,2,0,0,0,0|1,0,0]=3 228 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [0,2,0,0,0,0|1,1,0]=4 229 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [0,2,0,0,0,0|1,1,0]=4 230 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [0,2,0,0,0,0|1,1,0]=4 231 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [0,2,0,0,0,0|1,1,0]=4 232 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [0,2,0,0,0,0|1,1,0]=4 233 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [0,2,0,0,0,0|1,1,0]=4 234 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [0,2,0,0,0,0|1,1,0]=4 235 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [0,2,0,0,0,0|1,1,0]=4 236 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [0,2,0,0,0,0|1,0,0]=3 237 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [0,2,0,0,0,0|1,0,0]=3 238 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [0,2,0,0,0,0|1,0,0]=3 239 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [0,2,0,0,0,0|1,0,0]=3 240 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [0,2,0,0,0,0|2,0,0]=4 241 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [0,2,0,0,0,0|2,0,0]=4 242 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [0,2,0,0,0,0|2,0,0]=4 243 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [0,2,0,0,0,0|1,0,0]=3 244 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [0,2,0,0,0,0|1,0,0]=3 245 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [0,2,0,0,0,0|1,0,0]=3 246 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [0,2,0,0,0,0|1,0,0]=3 247 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [0,2,0,0,0,0|2,0,0]=4 248 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [0,2,0,0,0,0|2,0,0]=4 249 B6R0.1 N#CCC(=O)CO 1458a_100000210174_100011214920 [0,2,0,0,0,0|1,0,1]=4 250 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [0,2,0,0,0,0|2,0,0]=4 251 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [0,2,0,0,0,0|2,0,0]=4 252 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [0,2,0,0,0,0|2,0,0]=4 253 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,2,0,0,0,0|1,0,1]=4 254 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,2,0,0,0,0|1,0,1]=4 255 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,2,0,0,0,0|2,0,0]=4 256 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,2,0,0,0,0|2,0,0]=4 257 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,2,0,0,0,0|2,0,0]=4 258 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,2,0,0,0,0|2,0,0]=4 259 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,2,0,0,0,0|2,0,0]=4 260 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,2,0,0,0,0|2,0,0]=4 261 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,2,0,0,0,0|2,0,0]=4 262 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [0,2,0,0,0,0|1,0,0]=3 263 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [0,2,0,0,0,0|1,0,0]=3 264 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [0,2,0,0,0,0|1,0,0]=3 265 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [0,2,0,0,0,0|2,0,0]=4 266 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,2,0,0,0,0|2,0,0]=4 267 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [0,2,0,0,0,0|2,0,0]=4 268 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [0,2,0,0,0,0|1,0,0]=3 269 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [0,2,0,0,0,0|2,0,0]=4 270 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,2,0,0,0,0|2,0,0]=4 271 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,2,0,0,0,0|1,0,1]=4 272 B6R0.3 C=C(Br)C(=O)NC 11a_106832991635_100009813364 [0,2,0,0,0,0|2,0,0]=4 273 B6R0.3 C=C(Br)C(=O)NC 1626a_100102657272_100009813364 [0,2,0,0,0,0|2,0,0]=4 274 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [0,2,0,0,0,0|2,0,0]=4 275 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [0,2,0,0,0,0|2,0,0]=4 276 B6R0.3 C=C(Cl)C(=O)NC 11a_106832991635_100000039160 [0,2,0,0,0,0|2,0,0]=4 277 B6R0.3 C=C(Cl)C(=O)NC 1626a_100102657272_100000039160 [0,2,0,0,0,0|2,0,0]=4 278 B6R0.3 C=C(F)C(=O)NC 11a_106832991635_100000036797 [0,2,0,0,0,0|2,0,0]=4 279 B6R0.3 C=C(F)C(=O)NC 1626a_100102657272_100000036797 [0,2,0,0,0,0|2,0,0]=4 280 B6R0.3 C=CC(=O)N(C)C 1626a_100102631434_100000185746 [0,2,0,0,0,0|2,0,0]=4 281 B6R0.3 C=CC(=O)N(C)C 240690a_100102631434_200121576911 [0,2,0,0,0,0|2,0,0]=4 282 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,2,0,0,0,0|2,0,0]=4 283 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,2,0,0,0,0|2,0,0]=4 284 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [0,2,0,0,0,0|2,0,0]=4 285 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,2,0,0,0,0|1,1,0]=4 286 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,2,0,0,0,0|1,1,0]=4 287 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [0,2,0,0,0,0|2,0,0]=4 288 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [0,2,0,0,0,0|2,0,0]=4 289 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [0,2,0,0,0,0|2,0,0]=4 290 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [0,2,0,0,0,0|2,0,0]=4 291 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [0,2,0,0,0,0|2,0,0]=4 292 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [0,2,0,0,0,0|2,0,0]=4 293 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [0,2,0,0,0,0|2,0,0]=4 294 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,2,0,0,0,0|2,0,0]=4 295 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,2,0,0,0,0|2,0,0]=4 296 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,2,0,0,0,0|2,0,0]=4 297 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,2,0,0,0,0|2,0,0]=4 298 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,2,0,0,0,0|2,0,0]=4 299 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,2,0,0,0,0|2,0,0]=4 300 B6R0.3 CN(C)C(=O)CO 240690a_100102631434_100000210174 [0,2,0,0,0,0|1,0,0]=3 301 B6R0.3 CN(C)C(=O)CO 527a_100102631434_100000210174 [0,2,0,0,0,0|1,0,0]=3 302 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,2,0,0,0,0|1,0,1]=4 303 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [0,2,0,0,0,0|1,0,0]=3 304 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,2,0,0,0,0|1,0,1]=4 305 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [0,2,0,0,0,0|2,0,0]=4 306 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [0,2,0,0,0,0|2,0,0]=4 307 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [0,2,0,0,0,0|2,0,0]=4 308 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [0,2,0,0,0,0|2,0,0]=4 309 B6R0.3 CNC(=O)C(C)F 11a_106832991635_100000062450 [0,2,0,0,0,0|2,0,0]=4 310 B6R0.3 CNC(=O)C(C)F 1626a_100102657272_100000062450 [0,2,0,0,0,0|2,0,0]=4 311 B6R0.3 CNC(=O)C(C)F 240690a_100102657272_100000062450 [0,2,0,0,0,0|2,0,0]=4 312 B6R0.3 CNC(=O)C(C)F 527a_100102657272_100000062450 [0,2,0,0,0,0|2,0,0]=4 313 B6R0.3 CNC(=O)C(F)F 11a_106832991635_100000210393 [0,2,0,0,0,0|2,0,0]=4 314 B6R0.3 CNC(=O)C(F)F 1626a_100102657272_100000210393 [0,2,0,0,0,0|2,0,0]=4 315 B6R0.3 CNC(=O)C(F)F 240690a_100102657272_100000210393 [0,2,0,0,0,0|2,0,0]=4 316 B6R0.3 CNC(=O)C(F)F 527a_100102657272_100000210393 [0,2,0,0,0,0|2,0,0]=4 317 B6R0.3 CNC(=O)C(O)O 240690a_100102657272_100000233687 [0,2,0,0,0,0|1,0,0]=3 318 B6R0.3 CNC(=O)N(C)C 2708a_100102657272_100102631434 [0,2,0,0,0,0|1,0,0]=3 319 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [0,2,0,0,0,0|1,0,0]=3 320 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [0,2,0,0,0,0|1,0,0]=3 321 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [0,2,0,0,0,0|1,0,0]=3 322 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,2,0,0,0,0|2,0,0]=4 323 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,2,0,0,0,0|2,0,0]=4 324 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,2,0,0,0,0|1,0,0]=3 325 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,2,0,0,0,0|1,0,0]=3 326 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,2,0,0,0,0|1,0,0]=3 327 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [0,2,0,0,0,0|1,0,0]=3 328 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [0,2,0,0,0,0|1,0,0]=3 329 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [0,2,0,0,0,0|1,0,0]=3 330 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [0,2,0,0,0,0|2,0,0]=4 331 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,2,0,0,0,0|2,0,0]=4 332 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,2,0,0,0,0|1,0,0]=3 333 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,2,0,0,0,0|1,0,0]=3 334 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,2,0,0,0,0|2,0,0]=4 335 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,2,0,0,0,0|2,0,0]=4 336 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,2,0,0,0,0|1,0,0]=3 337 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,2,0,0,0,0|2,0,0]=4 338 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [0,2,0,0,0,0|1,0,0]=3 339 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [0,2,0,0,0,0|2,0,0]=4 340 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [0,2,0,0,0,0|2,0,0]=4 341 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,2,0,0,0,0|1,0,0]=3 342 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,2,0,0,0,0|1,0,0]=3 343 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,2,0,0,0,0|1,1,0]=4 344 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,2,0,0,0,0|1,1,0]=4 345 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [0,2,0,0,0,0|1,1,0]=4 346 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [0,2,0,0,0,0|1,1,0]=4 347 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,2,0,0,0,0|1,0,0]=3 348 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,2,0,0,0,0|1,0,0]=3 349 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [0,2,0,0,0,0|2,0,0]=4 350 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,2,0,0,0,0|1,0,0]=3 351 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,2,0,0,0,0|1,0,0]=3 352 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,2,0,0,0,0|2,0,0]=4 353 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [0,2,0,0,0,0|2,0,0]=4 354 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [0,2,0,0,0,0|2,0,0]=4 355 B6R0.3 O=C(CF)C(O)O 1458a_100000233687_100015361967 [0,2,0,0,0,0|2,0,0]=4 356 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,2,0,0,0,0|2,0,0]=4 357 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [0,2,0,0,0,0|1,1,0]=4 358 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [0,2,0,0,0,0|1,1,0]=4 359 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [0,2,0,0,0,0|2,0,0]=4 360 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [0,2,0,0,0,0|2,0,0]=4 361 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [0,2,0,0,0,0|2,0,0]=4 362 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [0,2,0,0,0,0|2,0,0]=4 363 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [0,2,0,0,0,0|2,0,0]=4 364 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [0,2,0,0,0,0|2,0,0]=4 365 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [0,2,0,0,0,0|2,0,0]=4 366 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [0,2,0,0,0,0|2,0,0]=4 367 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [0,2,0,0,0,0|2,0,0]=4 368 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [0,2,0,0,0,0|2,0,0]=4 369 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [0,2,0,0,0,0|2,0,0]=4 370 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [0,2,0,0,0,0|2,0,0]=4 371 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [0,2,0,0,0,0|2,0,0]=4 372 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [0,2,0,0,0,0|2,0,0]=4 373 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [0,2,0,0,0,0|2,0,0]=4 374 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [0,2,0,0,0,0|2,0,0]=4 375 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [0,2,0,0,0,0|2,0,0]=4 376 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [0,2,0,0,0,0|2,0,0]=4 377 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [0,2,0,0,0,0|1,0,0]=3 378 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [0,2,0,0,0,0|1,0,0]=3 379 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [0,2,0,0,0,0|2,0,0]=4 380 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [0,2,0,0,0,0|2,0,0]=4 381 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [0,2,0,0,0,0|2,0,0]=4 382 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [0,2,0,0,0,0|2,0,0]=4 383 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [0,2,0,0,0,0|2,0,0]=4 384 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [0,2,0,0,0,0|1,0,0]=3 385 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [0,2,0,0,0,0|1,0,0]=3 386 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [0,2,0,0,0,0|2,0,0]=4 387 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [0,2,0,0,0,0|2,0,0]=4 388 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [0,2,0,0,0,0|2,0,0]=4 389 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [0,2,0,0,0,0|2,0,0]=4 390 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [0,2,0,0,0,0|1,0,0]=3 391 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [0,2,0,0,0,0|2,0,0]=4 392 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [0,2,0,0,0,0|2,0,0]=4 393 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [0,2,0,0,0,0|1,1,0]=4 394 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [0,2,0,0,0,0|1,1,0]=4 395 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [0,2,0,0,0,0|2,0,0]=4 396 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [0,2,0,0,0,0|1,0,0]=3 397 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [0,2,0,0,0,0|1,0,0]=3 398 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [0,2,0,0,0,0|1,0,0]=3 399 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [0,2,0,0,0,0|2,0,0]=4 400 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [0,2,0,0,0,0|2,0,0]=4 401 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [0,2,0,0,0,0|2,0,0]=4 402 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [0,2,0,0,0,0|2,0,0]=4 403 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [0,2,0,0,0,0|2,0,0]=4 404 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [0,2,0,0,0,0|2,0,0]=4 405 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [0,2,0,0,0,0|2,0,0]=4 406 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [0,2,0,0,0,0|2,0,0]=4 407 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [0,2,0,0,0,0|1,0,0]=3 408 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [0,2,0,0,0,0|1,0,0]=3 409 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [0,2,0,0,0,0|1,0,0]=3 410 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [0,2,0,0,0,0|2,0,0]=4 411 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [0,2,0,0,0,0|2,0,0]=4 412 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [0,2,0,0,0,0|1,1,0]=4 413 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [0,2,0,0,0,0|1,1,0]=4 414 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [0,2,0,0,0,0|1,1,0]=4 415 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [0,2,0,0,0,0|1,1,0]=4 416 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [0,2,0,0,0,0|2,0,0]=4 417 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [0,2,0,0,0,0|2,0,0]=4 418 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [0,2,0,0,0,0|2,0,0]=4 419 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [0,2,0,0,0,0|1,0,0]=3 420 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [0,2,0,0,0,0|1,0,0]=3 421 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [0,2,0,0,0,0|1,1,0]=4 422 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [0,2,0,0,0,0|1,1,0]=4 423 B6R0.7 CC(=O)C(C)(C)O 1458a_100000242741_200000210301 [0,2,0,0,0,0|2,0,0]=4 424 B6R0.7 CC(C)(O)C(=O)[13CH3] 1458a_100000242741_200025704644 [0,2,0,0,0,0|2,0,0]=4 425 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [0,1,0,1,0,0|2,0,0]=4 426 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [0,1,0,1,0,0|2,0,0]=4