0 B9R0.35 C#CCC(=O)C(C)CCC 1458a_100000210906_100000184674 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.35 C#CCC(=O)C(C)CCC 1458a_100011220946_100000766640 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.35 C#CCC(=O)C(C)CCO 1458a_100011220946_100009893172 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.35 C#CCC(=O)C(C)COC 1458a_100000751857_100000184674 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.35 C#CCC(=O)C(C)COC 1458a_100011220946_100000765312 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.35 C#CCC(=O)C(C)CSC 1458a_100000753918_100000184674 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.35 C#CCC(=O)C(C)OCC 1458a_100000739345_100000184674 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.35 C#CCC(=O)C(C)SCC 1458a_100000230601_100000184674 [0,0,0,0,0,0|2,0,2]=4 8 B9R0.35 C#CCC(=O)N(C)CCC 1626a_100000747261_100011220946 [0,0,0,0,0,0|2,0,2]=4 9 B9R0.35 C#CCC(=O)N(C)CCC 527a_100000747261_100011220946 [0,0,0,0,0,0|2,0,2]=4 10 B9R0.35 C#CCC(=O)[C@@H](O)CCC 1458a_100009822183_100000184674 [0,0,0,0,0,0|0,0,2]=2 11 B9R0.35 C#CCN(C)C(=O)CCC 11a_100000225692_100000211992 [0,0,0,0,0,0|2,0,2]=4 12 B9R0.35 C#CCN(C)C(=O)CCC 1626a_100000225692_100000211992 [0,0,0,0,0,0|2,0,2]=4 13 B9R0.35 C#CCN(C)C(=O)CCC 527a_100000225692_100000211992 [0,0,0,0,0,0|2,0,2]=4 14 B9R0.35 C=C(CNC)C(=O)OCC 34a_100102657272_100000755967 [0,0,0,0,0,0|3,0,1]=4 15 B9R0.35 C=C(CNC)C(=O)OCC 7a_106832991635_100000755967 [0,0,0,0,0,0|3,0,1]=4 16 B9R0.35 C=C(COC)C(=O)OCC 34a_100138415774_100000755967 [0,0,0,0,0,0|3,0,1]=4 17 B9R0.35 C=C(CSC)C(=O)OCC 62a_100000755967_200000210301 [0,0,0,0,0,0|3,0,1]=4 18 B9R0.35 C=C(CSC)C(=O)OCC 62a_200000210301_100000755967 [0,0,0,0,0,0|3,0,1]=4 19 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_100000755967_200025704644 [0,0,0,0,0,0|3,0,1]=4 20 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_200025704644_100000755967 [0,0,0,0,0,0|3,0,1]=4 21 B9R0.35 C=CCC(=O)C(C)CCC 1458a_100000210193_100000766640 [0,0,0,0,0,0|1,0,2]=3 22 B9R0.35 C=CCC(=O)C(C)CCC 1458a_100000210906_100000210623 [0,0,0,0,0,0|1,0,2]=3 23 B9R0.35 C=CCC(=O)C(C)CCO 1458a_100000210193_100009893172 [0,0,0,0,0,0|2,0,2]=4 24 B9R0.35 C=CCC(=O)C(C)COC 1458a_100000210193_100000765312 [0,0,0,0,0,0|2,0,2]=4 25 B9R0.35 C=CCC(=O)C(C)COC 1458a_100000751857_100000210623 [0,0,0,0,0,0|2,0,2]=4 26 B9R0.35 C=CCC(=O)C(C)CSC 1458a_100000753918_100000210623 [0,0,0,0,0,0|2,0,2]=4 27 B9R0.35 C=CCC(=O)C(C)OCC 1458a_100000739345_100000210623 [0,0,0,0,0,0|2,0,2]=4 28 B9R0.35 C=CCC(=O)C(C)SCC 1458a_100000230601_100000210623 [0,0,0,0,0,0|2,0,2]=4 29 B9R0.35 C=CCC(=O)N(C)CCC 11a_100000747261_100000210193 [0,0,0,0,0,0|2,0,2]=4 30 B9R0.35 C=CCC(=O)N(C)CCC 1626a_100000747261_100000210193 [0,0,0,0,0,0|2,0,2]=4 31 B9R0.35 C=CCC(=O)N(C)CCC 240690a_100000747261_100000210193 [0,0,0,0,0,0|2,0,2]=4 32 B9R0.35 C=CCC(=O)N(C)CCC 527a_100000747261_100000210193 [0,0,0,0,0,0|2,0,2]=4 33 B9R0.35 C=CCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210623 [0,0,0,0,0,0|0,0,2]=2 34 B9R0.35 C=CCC(C)C(=O)CCC 1458a_100011216819_100000210303 [0,0,0,0,0,0|1,0,2]=3 35 B9R0.35 C=CCC(C)C(=O)CCF 1458a_100011216819_100011217306 [0,0,0,0,0,0|2,0,2]=4 36 B9R0.35 C=CCC(C)C(=O)CCO 1458a_100011216819_100000211926 [0,0,0,0,0,0|2,0,2]=4 37 B9R0.35 C=CCC(C)C(=O)NCC 11a_100015525214_100011216819 [0,0,0,0,0,0|2,0,2]=4 38 B9R0.35 C=CCC(C)C(=O)NCC 240690a_100015525214_100011216819 [0,0,0,0,0,0|2,0,2]=4 39 B9R0.35 C=CCC(C)C(=O)NCC 527a_100015525214_100011216819 [0,0,0,0,0,0|2,0,2]=4 40 B9R0.35 C=CCN(C)C(=O)CCC 11a_100000225617_100000211992 [0,0,0,0,0,0|2,0,2]=4 41 B9R0.35 C=CCN(C)C(=O)CCC 1626a_100000225617_100000211992 [0,0,0,0,0,0|2,0,2]=4 42 B9R0.35 C=CCN(C)C(=O)CCC 240690a_100000225617_100000211992 [0,0,0,0,0,0|2,0,2]=4 43 B9R0.35 C=CCN(C)C(=O)CCC 527a_100000225617_100000211992 [0,0,0,0,0,0|2,0,2]=4 44 B9R0.35 CC#CC(=O)C(C)CCC 1458a_100000763181_100000766640 [0,0,0,0,0,0|1,0,2]=3 45 B9R0.35 CC#CC(=O)C(C)CCO 1458a_100000763181_100009893172 [0,0,0,0,0,0|2,0,2]=4 46 B9R0.35 CC#CC(=O)C(C)COC 1458a_100000763181_100000765312 [0,0,0,0,0,0|2,0,2]=4 47 B9R0.35 CC(CC#N)C(=O)CCO 1458a_100011216618_100009813641 [0,0,0,0,0,0|3,0,1]=4 48 B9R0.35 CC(CCO)C(=O)CC#N 1458a_100051588842_100009893172 [0,0,0,0,0,0|3,0,1]=4 49 B9R0.35 CC(CCO)C(=O)CCO 1458a_100011216618_100009893172 [0,0,0,0,0,0|3,0,0]=3 50 B9R0.35 CC/C=C(\C)/C(=O)CCC 1458a_100016988807_100000210303 [0,0,0,0,0,0|1,0,2]=3 51 B9R0.35 CC/C=C(\C)/C(=O)CCF 1458a_100016988807_100011217306 [0,0,0,0,0,0|2,0,2]=4 52 B9R0.35 CC/C=C(\C)/C(=O)CCO 1458a_100016988807_100000211926 [0,0,0,0,0,0|2,0,2]=4 53 B9R0.35 CC/C=C(\C)/C(=O)NCC 11a_100015525214_100016988807 [0,0,0,0,0,0|2,0,2]=4 54 B9R0.35 CC/C=C(\C)/C(=O)NCC 240690a_100015525214_100016988807 [0,0,0,0,0,0|2,0,2]=4 55 B9R0.35 CC/C=C(\C)/C(=O)NCC 527a_100015525214_100016988807 [0,0,0,0,0,0|2,0,2]=4 56 B9R0.35 CC=CC(=O)C(C)CCC 1458a_100000210699_100000766640 [0,0,0,0,0,0|1,0,2]=3 57 B9R0.35 CC=CC(=O)C(C)CCO 1458a_100000210699_100009893172 [0,0,0,0,0,0|2,0,2]=4 58 B9R0.35 CC=CC(=O)C(C)COC 1458a_100000210699_100000765312 [0,0,0,0,0,0|2,0,2]=4 59 B9R0.35 CC=CC(=O)N(C)CCC 11a_100000747261_100000210699 [0,0,0,0,0,0|2,0,2]=4 60 B9R0.35 CC=CC(=O)N(C)CCC 1626a_100000747261_100000210699 [0,0,0,0,0,0|2,0,2]=4 61 B9R0.35 CC=CC(=O)N(C)CCC 240690a_100000747261_100000210699 [0,0,0,0,0,0|2,0,2]=4 62 B9R0.35 CCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210303 [0,0,0,0,0,0|3,0,1]=4 63 B9R0.35 CCCC(=O)C(=O)NCC 1458a_200011297158_100000210303 [0,0,0,0,0,0|1,0,2]=3 64 B9R0.35 CCCC(=O)C(C)CC#N 1458a_100000211992_100009813641 [0,0,0,0,0,0|2,0,1]=3 65 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000210906_100000210303 [0,0,0,0,0,0|1,0,0]=1 66 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000211992_100000766640 [0,0,0,0,0,0|1,0,0]=1 67 B9R0.35 CCCC(=O)C(C)CCO 1458a_100000211992_100009893172 [0,0,0,0,0,0|2,0,0]=2 68 B9R0.35 CCCC(=O)C(C)COC 1458a_100000211992_100000765312 [0,0,0,0,0,0|2,0,0]=2 69 B9R0.35 CCCC(=O)C(C)COC 1458a_100000751857_100000210303 [0,0,0,0,0,0|2,0,0]=2 70 B9R0.35 CCCC(=O)C(C)CSC 1458a_100000753918_100000210303 [0,0,0,0,0,0|2,0,0]=2 71 B9R0.35 CCCC(=O)C(C)OCC 1458a_100000739345_100000210303 [0,0,0,0,0,0|2,0,0]=2 72 B9R0.35 CCCC(=O)C(C)SCC 1458a_100000230601_100000210303 [0,0,0,0,0,0|2,0,0]=2 73 B9R0.35 CCCC(=O)N(C)CC#N 11a_100000748184_100000211992 [0,0,0,0,0,0|3,0,1]=4 74 B9R0.35 CCCC(=O)N(C)CC#N 1626a_100000748184_100000211992 [0,0,0,0,0,0|3,0,1]=4 75 B9R0.35 CCCC(=O)N(C)CCC 11a_100000747261_100000211992 [0,0,0,0,0,0|2,0,0]=2 76 B9R0.35 CCCC(=O)N(C)CCC 1626a_100000747261_100000211992 [0,0,0,0,0,0|2,0,0]=2 77 B9R0.35 CCCC(=O)N(C)CCC 240690a_100000747261_100000211992 [0,0,0,0,0,0|2,0,0]=2 78 B9R0.35 CCCC(=O)N(C)CCC 527a_100000747261_100000211992 [0,0,0,0,0,0|2,0,0]=2 79 B9R0.35 CCCC(=O)N(C)CCO 240690a_100000210263_100000211992 [0,0,0,0,0,0|3,0,0]=3 80 B9R0.35 CCCC(=O)N(C)CCO 527a_100000210263_100000211992 [0,0,0,0,0,0|3,0,0]=3 81 B9R0.35 CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210303 [0,0,0,0,0,0|0,0,0]=0 82 B9R0.35 CCCC(C)C(=O)C=CBr 1458a_100016273825_100000766640 [0,0,0,0,0,0|2,0,2]=4 83 B9R0.35 CCCC(C)C(=O)C=CCl 1458a_200016279998_100000766640 [0,0,0,0,0,0|2,0,2]=4 84 B9R0.35 CCCC(C)C(=O)C=CI 1458a_100016256311_100000766640 [0,0,0,0,0,0|2,0,2]=4 85 B9R0.35 CCCC(C)C(=O)CC#N 1458a_100000210906_100011214920 [0,0,0,0,0,0|2,0,1]=3 86 B9R0.35 CCCC(C)C(=O)CC#N 1458a_100051588842_100000766640 [0,0,0,0,0,0|2,0,1]=3 87 B9R0.35 CCCC(C)C(=O)CCF 1458a_100000210906_100011217306 [0,0,0,0,0,0|2,0,0]=2 88 B9R0.35 CCCC(C)C(=O)CCO 1458a_100000210906_100000211926 [0,0,0,0,0,0|2,0,0]=2 89 B9R0.35 CCCC(C)C(=O)CCO 1458a_100011216618_100000766640 [0,0,0,0,0,0|2,0,0]=2 90 B9R0.35 CCCC(C)C(=O)COC 1458a_100000210968_100000766640 [0,0,0,0,0,0|2,0,0]=2 91 B9R0.35 CCCC(C)C(=O)CSC 1458a_100000184570_100000766640 [0,0,0,0,0,0|2,0,0]=2 92 B9R0.35 CCCC(C)C(=O)NCC 11a_100015525214_100000210906 [0,0,0,0,0,0|2,0,0]=2 93 B9R0.35 CCCC(C)C(=O)NCC 240690a_100015525214_100000210906 [0,0,0,0,0,0|2,0,0]=2 94 B9R0.35 CCCC(C)C(=O)NCC 527a_100015525214_100000210906 [0,0,0,0,0,0|2,0,0]=2 95 B9R0.35 CCCC(C)C(=O)NNC 22a_100016993582_100000210906 [0,0,0,0,0,0|3,0,0]=3 96 B9R0.35 CCCC(C)C(C)NCC 270004a_100015525214_100011216282 [0,0,0,0,0,0|3,0,1]=4 97 B9R0.35 CCCC(C)C(C)OCC 34a_100000708338_100000210202 [0,0,0,0,0,0|3,0,1]=4 98 B9R0.35 CCCC(C)C(C)OCC 7a_100000708338_100000210202 [0,0,0,0,0,0|3,0,1]=4 99 B9R0.35 CCCC(C)N(C)CCC 2230a_100000747261_100000766640 [0,0,0,0,0,0|3,0,0]=3 100 B9R0.35 CCCC(C)N(C)CCC 269982a_100000747261_100000766640 [0,0,0,0,0,0|3,0,0]=3 101 B9R0.35 CCCC(C)N(C)CCC 270004a_100000747261_100000211909 [0,0,0,0,0,0|3,0,0]=3 102 B9R0.35 CCCC(C)N(C)CCO 2230a_100000210263_100000766640 [0,0,0,0,0,0|4,0,0]=4 103 B9R0.35 CCCC(C)N(C)CCO 269982a_100000210263_100000766640 [0,0,0,0,0,0|4,0,0]=4 104 B9R0.35 CCCC(C)N(C)CCO 270004a_100000210263_100000211909 [0,0,0,0,0,0|4,0,0]=4 105 B9R0.35 CCCN(C)C(=O)CC#N 1626a_100000747261_100051588842 [0,0,0,0,0,0|3,0,1]=4 106 B9R0.35 CCCN(C)C(=O)CC#N 240690a_100000747261_100051588842 [0,0,0,0,0,0|3,0,1]=4 107 B9R0.35 CCCN(C)C(=O)CCO 240690a_100000747261_100011216618 [0,0,0,0,0,0|3,0,0]=3 108 B9R0.35 CCCN(C)C(=O)COC 11a_100000747261_100000210968 [0,0,0,0,0,0|3,0,0]=3 109 B9R0.35 CCCN(C)C(=O)COC 1626a_100000747261_100000210968 [0,0,0,0,0,0|3,0,0]=3 110 B9R0.35 CCCN(C)C(=O)COC 240690a_100000747261_100000210968 [0,0,0,0,0,0|3,0,0]=3 111 B9R0.35 CCCN(C)C(=O)COC 527a_100000747261_100000210968 [0,0,0,0,0,0|3,0,0]=3 112 B9R0.35 CCCN(C)C(=O)CSC 11a_100000747261_100000184570 [0,0,0,0,0,0|3,0,0]=3 113 B9R0.35 CCCN(C)C(=O)CSC 1626a_100000747261_100000184570 [0,0,0,0,0,0|3,0,0]=3 114 B9R0.35 CCCN(C)C(=O)CSC 240690a_100000747261_100000184570 [0,0,0,0,0,0|3,0,0]=3 115 B9R0.35 CCCN(C)C(=O)CSC 527a_100000747261_100000184570 [0,0,0,0,0,0|3,0,0]=3 116 B9R0.35 CCCN(C)C(=O)NCC 2708a_100015525214_100000747261 [0,0,0,0,0,0|3,0,0]=3 117 B9R0.35 CCCN(C)C(=O)NCC 273464a_100015525214_100000747261 [0,0,0,0,0,0|3,0,0]=3 118 B9R0.35 CCCN(C)C(C)CCO 2230a_100000731037_100000210303 [0,0,0,0,0,0|4,0,0]=4 119 B9R0.35 CCCN(C)C(C)CCO 2230a_100000747261_100009893172 [0,0,0,0,0,0|4,0,0]=4 120 B9R0.35 CCCN(C)C(C)CCO 269982a_100000731037_100000210303 [0,0,0,0,0,0|4,0,0]=4 121 B9R0.35 CCCN(C)C(C)CCO 269982a_100000747261_100009893172 [0,0,0,0,0,0|4,0,0]=4 122 B9R0.35 CCCN(C)C(C)COC 2230a_100000747261_100000765312 [0,0,0,0,0,0|4,0,0]=4 123 B9R0.35 CCCN(C)C(C)COC 269982a_100000747261_100000765312 [0,0,0,0,0,0|4,0,0]=4 124 B9R0.35 CCCN(C)C(C)COC 270004a_100000747261_100000749346 [0,0,0,0,0,0|4,0,0]=4 125 B9R0.35 CCCN(C)C(C)CSC 270004a_100000747261_100011216314 [0,0,0,0,0,0|4,0,0]=4 126 B9R0.35 CCC[C@H](O)C(=O)CC#N 1458a_100009822183_100011214920 [0,0,0,0,0,0|1,0,1]=2 127 B9R0.35 CCC[C@H](O)C(=O)CCF 1458a_100009822183_100011217306 [0,0,0,0,0,0|1,0,0]=1 128 B9R0.35 CCC[C@H](O)C(=O)CCO 1458a_100009822183_100000211926 [0,0,0,0,0,0|1,0,0]=1 129 B9R0.35 CCC[C@H](O)C(=O)NCC 240690a_100015525214_100009822183 [0,0,0,0,0,0|1,0,0]=1 130 B9R0.35 CCC[C@H](O)C(=O)NNC 22a_100016993582_100009822183 [0,0,0,0,0,0|2,0,0]=2 131 B9R0.35 CCNC(=O)C(=O)CCF 1458a_200011297158_100011217306 [0,0,0,0,0,0|2,0,2]=4 132 B9R0.35 CCNC(=O)C(=O)CCO 1458a_200011297158_100000211926 [0,0,0,0,0,0|2,0,2]=4 133 B9R0.35 CCNC(=O)C(=O)NCC 240690a_100015525214_200011297158 [0,0,0,0,0,0|2,0,2]=4 134 B9R0.35 CCNC(=O)C(=O)NCC 527a_100015525214_200011297158 [0,0,0,0,0,0|2,0,2]=4 135 B9R0.35 CCNC(=O)C(=O)OCC 11a_100015525214_100014798877 [0,0,0,0,0,0|2,0,2]=4 136 B9R0.35 CCNC(=O)C(=O)OCC 240690a_100015525214_100014798877 [0,0,0,0,0,0|2,0,2]=4 137 B9R0.35 CCNC(=O)C(C)COC 11a_100015525214_100000751857 [0,0,0,0,0,0|3,0,0]=3 138 B9R0.35 CCNC(=O)C(C)COC 240690a_100015525214_100000751857 [0,0,0,0,0,0|3,0,0]=3 139 B9R0.35 CCNC(=O)C(C)COC 527a_100015525214_100000751857 [0,0,0,0,0,0|3,0,0]=3 140 B9R0.35 CCNC(=O)C(C)CSC 11a_100015525214_100000753918 [0,0,0,0,0,0|3,0,0]=3 141 B9R0.35 CCNC(=O)C(C)CSC 240690a_100015525214_100000753918 [0,0,0,0,0,0|3,0,0]=3 142 B9R0.35 CCNC(=O)C(C)CSC 527a_100015525214_100000753918 [0,0,0,0,0,0|3,0,0]=3 143 B9R0.35 CCNC(=O)C(C)NCC 2230a_100000736553_100000210202 [0,0,0,0,0,0|3,0,0]=3 144 B9R0.35 CCNC(=O)C(C)NCC 2230a_100015525214_100000230173 [0,0,0,0,0,0|3,0,0]=3 145 B9R0.35 CCNC(=O)C(C)NCC 34a_100000736553_100000210202 [0,0,0,0,0,0|3,0,0]=3 146 B9R0.35 CCNC(=O)C(C)NCF 34a_100000736553_100015361967 [0,0,0,0,0,0|4,0,0]=4 147 B9R0.35 CCNC(=O)C(C)OCC 11a_100015525214_100000739345 [0,0,0,0,0,0|3,0,0]=3 148 B9R0.35 CCNC(=O)C(C)OCC 240690a_100015525214_100000739345 [0,0,0,0,0,0|3,0,0]=3 149 B9R0.35 CCNC(=O)C(C)OCC 34a_100121572206_100000230173 [0,0,0,0,0,0|3,0,0]=3 150 B9R0.35 CCNC(=O)C(C)OCC 527a_100015525214_100000739345 [0,0,0,0,0,0|3,0,0]=3 151 B9R0.35 CCNC(=O)C(C)SCC 11a_100015525214_100000230601 [0,0,0,0,0,0|3,0,0]=3 152 B9R0.35 CCNC(=O)C(C)SCC 240690a_100015525214_100000230601 [0,0,0,0,0,0|3,0,0]=3 153 B9R0.35 CCNC(=O)C(C)SCC 527a_100015525214_100000230601 [0,0,0,0,0,0|3,0,0]=3 154 B9R0.35 CCNC(=O)C(C)SCC 62a_100000210202_100000230173 [0,0,0,0,0,0|3,0,0]=3 155 B9R0.35 CCNC(=O)C(C)SCC 62a_100000230173_100000210202 [0,0,0,0,0,0|3,0,0]=3 156 B9R0.35 CCNC(=O)C(C)SCF 62a_100000230173_100015361967 [0,0,0,0,0,0|4,0,0]=4 157 B9R0.35 CCNC(=O)C(C)SCF 62a_100015361967_100000230173 [0,0,0,0,0,0|4,0,0]=4 158 B9R0.35 CCNC(=O)N(C)CCO 2708a_100015525214_100000210263 [0,0,0,0,0,0|4,0,0]=4 159 B9R0.35 CCNC(=O)N(C)CCO 273464a_100015525214_100000210263 [0,0,0,0,0,0|4,0,0]=4 160 B9R0.35 CCNC(C)C(=O)OCC 2230a_100015525214_100011215307 [0,0,0,0,0,0|3,0,0]=3 161 B9R0.35 CCNC(F)C(=O)OCC 2230a_100015525214_100000760018 [0,0,0,0,0,0|3,0,0]=3 162 B9R0.35 CCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210202 [0,0,0,0,0,0|3,0,0]=3 163 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [0,0,0,0,0,0|2,0,2]=4 164 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [0,0,0,0,0,0|2,0,2]=4 165 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [0,0,0,0,0,0|2,0,2]=4 166 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [0,0,0,0,0,0|2,0,2]=4 167 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [0,0,0,0,0,0|3,0,0]=3 168 B9R0.35 CCOC(=O)C(C)SCC 62a_100000210202_100011216346 [0,0,0,0,0,0|3,0,0]=3 169 B9R0.35 CCOC(=O)C(C)SCC 62a_100011216346_100000210202 [0,0,0,0,0,0|3,0,0]=3 170 B9R0.35 CCOC(=O)C(C)SCF 62a_100011216346_100015361967 [0,0,0,0,0,0|4,0,0]=4 171 B9R0.35 CCOC(=O)C(C)SCF 62a_100015361967_100011216346 [0,0,0,0,0,0|4,0,0]=4 172 B9R0.35 CCOC(=O)C(F)OCC 34a_100121572206_100000760018 [0,0,0,0,0,0|3,0,0]=3 173 B9R0.35 CCOC(=O)C(F)SCC 62a_100000210202_100000760018 [0,0,0,0,0,0|3,0,0]=3 174 B9R0.35 CCOC(=O)C(F)SCC 62a_100000760018_100000210202 [0,0,0,0,0,0|3,0,0]=3 175 B9R0.35 CCOC(=O)C(F)SCF 62a_100000760018_100015361967 [0,0,0,0,0,0|4,0,0]=4 176 B9R0.35 CCOC(=O)C(F)SCF 62a_100015361967_100000760018 [0,0,0,0,0,0|4,0,0]=4 177 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [0,0,0,0,0,0|3,0,0]=3 178 B9R0.35 CCOC(=O)[C@H](C)OCF 7a_100000751109_100015361967 [0,0,0,0,0,0|4,0,0]=4 179 B9R0.35 CCOC(C)C(=O)CC#N 1458a_100000739345_100011214920 [0,0,0,0,0,0|3,0,1]=4 180 B9R0.35 CCOC(C)C(=O)CCF 1458a_100000739345_100011217306 [0,0,0,0,0,0|3,0,0]=3 181 B9R0.35 CCOC(C)C(=O)CCO 1458a_100000739345_100000211926 [0,0,0,0,0,0|3,0,0]=3 182 B9R0.35 CCOC(C)C(=O)NNC 22a_100016993582_100000739345 [0,0,0,0,0,0|4,0,0]=4 183 B9R0.35 CCSC(C)C(=O)CC#N 1458a_100000230601_100011214920 [0,0,0,0,0,0|3,0,1]=4 184 B9R0.35 CCSC(C)C(=O)CCF 1458a_100000230601_100011217306 [0,0,0,0,0,0|3,0,0]=3 185 B9R0.35 CCSC(C)C(=O)CCO 1458a_100000230601_100000211926 [0,0,0,0,0,0|3,0,0]=3 186 B9R0.35 CCSC(C)C(=O)NNC 22a_100016993582_100000230601 [0,0,0,0,0,0|4,0,0]=4 187 B9R0.35 CN(CCO)C(=O)CCO 240690a_100000210263_100011216618 [0,0,0,0,0,0|4,0,0]=4 188 B9R0.35 CNNC(=O)C(C)COC 22a_100016993582_100000751857 [0,0,0,0,0,0|4,0,0]=4 189 B9R0.35 CNNC(=O)C(C)CSC 22a_100016993582_100000753918 [0,0,0,0,0,0|4,0,0]=4 190 B9R0.35 COCC(=O)C(C)CC#N 1458a_100000210968_100009813641 [0,0,0,0,0,0|3,0,1]=4 191 B9R0.35 COCC(=O)C(C)CCO 1458a_100000210968_100009893172 [0,0,0,0,0,0|3,0,0]=3 192 B9R0.35 COCC(=O)C(C)COC 1458a_100000210968_100000765312 [0,0,0,0,0,0|3,0,0]=3 193 B9R0.35 COCC(=O)N(C)CCO 240690a_100000210263_100000210968 [0,0,0,0,0,0|4,0,0]=4 194 B9R0.35 COCC(=O)N(C)CCO 527a_100000210263_100000210968 [0,0,0,0,0,0|4,0,0]=4 195 B9R0.35 COCC(C)C(=O)CC#N 1458a_100000751857_100011214920 [0,0,0,0,0,0|3,0,1]=4 196 B9R0.35 COCC(C)C(=O)CC#N 1458a_100051588842_100000765312 [0,0,0,0,0,0|3,0,1]=4 197 B9R0.35 COCC(C)C(=O)CCF 1458a_100000751857_100011217306 [0,0,0,0,0,0|3,0,0]=3 198 B9R0.35 COCC(C)C(=O)CCO 1458a_100000751857_100000211926 [0,0,0,0,0,0|3,0,0]=3 199 B9R0.35 COCC(C)C(=O)CCO 1458a_100011216618_100000765312 [0,0,0,0,0,0|3,0,0]=3 200 B9R0.35 COCC(C)C(=O)CSC 1458a_100000184570_100000765312 [0,0,0,0,0,0|3,0,0]=3 201 B9R0.35 CSCC(=O)C(C)CC#N 1458a_100000184570_100009813641 [0,0,0,0,0,0|3,0,1]=4 202 B9R0.35 CSCC(=O)C(C)CCO 1458a_100000184570_100009893172 [0,0,0,0,0,0|3,0,0]=3 203 B9R0.35 CSCC(=O)N(C)CCO 240690a_100000210263_100000184570 [0,0,0,0,0,0|4,0,0]=4 204 B9R0.35 CSCC(=O)N(C)CCO 527a_100000210263_100000184570 [0,0,0,0,0,0|4,0,0]=4 205 B9R0.35 CSCC(C)C(=O)CC#N 1458a_100000753918_100011214920 [0,0,0,0,0,0|3,0,1]=4 206 B9R0.35 CSCC(C)C(=O)CCF 1458a_100000753918_100011217306 [0,0,0,0,0,0|3,0,0]=3 207 B9R0.35 CSCC(C)C(=O)CCO 1458a_100000753918_100000211926 [0,0,0,0,0,0|3,0,0]=3 208 B8R0.1 C#CCC(=O)CCCC 1458a_100000210183_100000184674 [1,0,0,0,0,0|0,0,2]=3 209 B8R0.1 C#CCC(=O)CCCC 1458a_100011220946_100000210211 [1,0,0,0,0,0|0,0,2]=3 210 B8R0.1 C#CCC(=O)CCCF 1458a_100011220946_100011934791 [1,0,0,0,0,0|1,0,2]=4 211 B8R0.1 C#CCC(=O)CCCO 1458a_100011220946_100011215043 [1,0,0,0,0,0|1,0,2]=4 212 B8R0.1 C#CCC(=O)CCOC 1458a_100000749529_100000184674 [1,0,0,0,0,0|1,0,2]=4 213 B8R0.1 C#CCC(=O)CCOC 1458a_100011220946_100000233755 [1,0,0,0,0,0|1,0,2]=4 214 B8R0.1 C#CCC(=O)CCSC 1458a_100000174002_100000184674 [1,0,0,0,0,0|1,0,2]=4 215 B8R0.1 C#CCC(=O)CCSC 1458a_100011220946_100000751147 [1,0,0,0,0,0|1,0,2]=4 216 B8R0.1 C#CCC(=O)COCC 1458a_100000211967_100000184674 [1,0,0,0,0,0|1,0,2]=4 217 B8R0.1 C#CCC(=O)CSCC 1458a_100000230394_100000184674 [1,0,0,0,0,0|1,0,2]=4 218 B8R0.1 C#CCC(=O)NCCC 1626a_100020643023_100011220946 [1,0,0,0,0,0|1,0,2]=4 219 B8R0.1 C#CCC(=O)NCCC 527a_100020643023_100011220946 [1,0,0,0,0,0|1,0,2]=4 220 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [1,0,0,0,0,0|0,0,2]=3 221 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [1,0,0,0,0,0|0,0,2]=3 222 B8R0.1 C#CCCC(=O)CCF 1458a_100000692101_100011217306 [1,0,0,0,0,0|1,0,2]=4 223 B8R0.1 C#CCCC(=O)CCO 1458a_100000692101_100000211926 [1,0,0,0,0,0|1,0,2]=4 224 B8R0.1 C#CCCC(=O)CCO 1458a_100011216618_100000753159 [1,0,0,0,0,0|1,0,2]=4 225 B8R0.1 C#CCCC(=O)COC 1458a_100000210968_100000753159 [1,0,0,0,0,0|1,0,2]=4 226 B8R0.1 C#CCCC(=O)CSC 1458a_100000184570_100000753159 [1,0,0,0,0,0|1,0,2]=4 227 B8R0.1 C#CCCC(=O)NCC 11a_100015525214_100000692101 [1,0,0,0,0,0|1,0,2]=4 228 B8R0.1 C#CCCC(=O)NCC 240690a_100015525214_100000692101 [1,0,0,0,0,0|1,0,2]=4 229 B8R0.1 C#CCCC(=O)NCC 527a_100015525214_100000692101 [1,0,0,0,0,0|1,0,2]=4 230 B8R0.1 C#CCNC(=O)CCC 11a_100000212058_100000211992 [1,0,0,0,0,0|1,0,2]=4 231 B8R0.1 C#CCNC(=O)CCC 1626a_100000212058_100000211992 [1,0,0,0,0,0|1,0,2]=4 232 B8R0.1 C#CCNC(=O)CCC 240690a_100000212058_100000211992 [1,0,0,0,0,0|1,0,2]=4 233 B8R0.1 C#CCNC(=O)CCC 527a_100000212058_100000211992 [1,0,0,0,0,0|1,0,2]=4 234 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [1,0,0,0,0,0|0,0,2]=3 235 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [1,0,0,0,0,0|1,0,2]=4 236 B8R0.1 C/C=C/CC(=O)COC 1458a_100000210968_100102629194 [1,0,0,0,0,0|1,0,2]=4 237 B8R0.1 C/C=C/CC(=O)CSC 1458a_100000184570_100102629194 [1,0,0,0,0,0|1,0,2]=4 238 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [1,0,0,0,0,0|0,0,2]=3 239 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [1,0,0,0,0,0|0,0,2]=3 240 B8R0.1 C=CCC(=O)CCCF 1458a_100000210193_100011934791 [1,0,0,0,0,0|1,0,2]=4 241 B8R0.1 C=CCC(=O)CCCO 1458a_100000210193_100011215043 [1,0,0,0,0,0|1,0,2]=4 242 B8R0.1 C=CCC(=O)CCOC 1458a_100000210193_100000233755 [1,0,0,0,0,0|1,0,2]=4 243 B8R0.1 C=CCC(=O)CCOC 1458a_100000749529_100000210623 [1,0,0,0,0,0|1,0,2]=4 244 B8R0.1 C=CCC(=O)CCSC 1458a_100000174002_100000210623 [1,0,0,0,0,0|1,0,2]=4 245 B8R0.1 C=CCC(=O)CCSC 1458a_100000210193_100000751147 [1,0,0,0,0,0|1,0,2]=4 246 B8R0.1 C=CCC(=O)COCC 1458a_100000211967_100000210623 [1,0,0,0,0,0|1,0,2]=4 247 B8R0.1 C=CCC(=O)CSCC 1458a_100000230394_100000210623 [1,0,0,0,0,0|1,0,2]=4 248 B8R0.1 C=CCC(=O)NCCC 11a_100020643023_100000210193 [1,0,0,0,0,0|1,0,2]=4 249 B8R0.1 C=CCC(=O)NCCC 1626a_100020643023_100000210193 [1,0,0,0,0,0|1,0,2]=4 250 B8R0.1 C=CCC(=O)NCCC 240690a_100020643023_100000210193 [1,0,0,0,0,0|1,0,2]=4 251 B8R0.1 C=CCC(=O)NCCC 527a_100020643023_100000210193 [1,0,0,0,0,0|1,0,2]=4 252 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [1,0,0,0,0,0|0,0,2]=3 253 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [1,0,0,0,0,0|0,0,2]=3 254 B8R0.1 C=CCCC(=O)CCF 1458a_100000749702_100011217306 [1,0,0,0,0,0|1,0,2]=4 255 B8R0.1 C=CCCC(=O)CCO 1458a_100000749702_100000211926 [1,0,0,0,0,0|1,0,2]=4 256 B8R0.1 C=CCCC(=O)CCO 1458a_100011216618_100000754431 [1,0,0,0,0,0|1,0,2]=4 257 B8R0.1 C=CCCC(=O)COC 1458a_100000210968_100000754431 [1,0,0,0,0,0|1,0,2]=4 258 B8R0.1 C=CCCC(=O)CSC 1458a_100000184570_100000754431 [1,0,0,0,0,0|1,0,2]=4 259 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [1,0,0,0,0,0|1,0,2]=4 260 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [1,0,0,0,0,0|1,0,2]=4 261 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [1,0,0,0,0,0|1,0,2]=4 262 B8R0.1 C=CCNC(=O)CCC 1626a_100020586998_100000211992 [1,0,0,0,0,0|1,0,2]=4 263 B8R0.1 C=CCNC(=O)CCC 240690a_100020586998_100000211992 [1,0,0,0,0,0|1,0,2]=4 264 B8R0.1 C=CCNC(=O)CCC 527a_100020586998_100000211992 [1,0,0,0,0,0|1,0,2]=4 265 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [1,0,0,0,0,0|0,0,2]=3 266 B8R0.1 CC#CC(=O)CCCF 1458a_100000763181_100011934791 [1,0,0,0,0,0|1,0,2]=4 267 B8R0.1 CC#CC(=O)CCCO 1458a_100000763181_100011215043 [1,0,0,0,0,0|1,0,2]=4 268 B8R0.1 CC#CC(=O)CCOC 1458a_100000763181_100000233755 [1,0,0,0,0,0|1,0,2]=4 269 B8R0.1 CC#CC(=O)CCSC 1458a_100000763181_100000751147 [1,0,0,0,0,0|1,0,2]=4 270 B8R0.1 CC#CCC(=O)CCC 1458a_100000211992_100000748600 [1,0,0,0,0,0|0,0,2]=3 271 B8R0.1 CC#CCC(=O)CCO 1458a_100011216618_100000748600 [1,0,0,0,0,0|1,0,2]=4 272 B8R0.1 CC#CCC(=O)COC 1458a_100000210968_100000748600 [1,0,0,0,0,0|1,0,2]=4 273 B8R0.1 CC#CCC(=O)CSC 1458a_100000184570_100000748600 [1,0,0,0,0,0|1,0,2]=4 274 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [1,0,0,0,0,0|0,0,2]=3 275 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [1,0,0,0,0,0|1,0,2]=4 276 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [1,0,0,0,0,0|1,0,2]=4 277 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [1,0,0,0,0,0|1,0,2]=4 278 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [1,0,0,0,0,0|1,0,2]=4 279 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [1,0,0,0,0,0|1,0,2]=4 280 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [1,0,0,0,0,0|1,0,2]=4 281 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [1,0,0,0,0,0|1,0,2]=4 282 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [1,0,0,0,0,0|0,0,2]=3 283 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [1,0,0,0,0,0|0,0,2]=3 284 B8R0.1 CC=CCC(=O)CCF 1458a_100121576822_100011217306 [1,0,0,0,0,0|1,0,2]=4 285 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [1,0,0,0,0,0|1,0,2]=4 286 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [1,0,0,0,0,0|1,0,2]=4 287 B8R0.1 CC=CCC(=O)COC 1458a_100000210968_100000070051 [1,0,0,0,0,0|1,0,2]=4 288 B8R0.1 CC=CCC(=O)CSC 1458a_100000184570_100000070051 [1,0,0,0,0,0|1,0,2]=4 289 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [1,0,0,0,0,0|1,0,2]=4 290 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [1,0,0,0,0,0|1,0,2]=4 291 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [1,0,0,0,0,0|1,0,2]=4 292 B8R0.1 CC=NNC(=O)CCC 4a_100000189770_200000210099 [1,0,0,0,0,0|2,0,1]=4 293 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [1,0,0,0,0,0|0,0,2]=3 294 B8R0.1 CCC#CC(=O)CCF 1458a_100011827653_100011217306 [1,0,0,0,0,0|1,0,2]=4 295 B8R0.1 CCC#CC(=O)CCO 1458a_100011827653_100000211926 [1,0,0,0,0,0|1,0,2]=4 296 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [1,0,0,0,0,0|0,0,2]=3 297 B8R0.1 CCC=CC(=O)CCF 1458a_100000212282_100011217306 [1,0,0,0,0,0|1,0,2]=4 298 B8R0.1 CCC=CC(=O)CCO 1458a_100000212282_100000211926 [1,0,0,0,0,0|1,0,2]=4 299 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [1,0,0,0,0,0|1,0,2]=4 300 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [1,0,0,0,0,0|1,0,2]=4 301 B8R0.1 CCCC(=NNCC)C 4a_100000756455_100000211909 [1,0,0,0,0,0|3,0,0]=4 302 B8R0.1 CCCC(=O)C#CCO 1458a_100000049017_100000210303 [1,0,0,0,0,0|1,0,2]=4 303 B8R0.1 CCCC(=O)C=COC 1458a_100016268678_100000210303 [1,0,0,0,0,0|1,0,2]=4 304 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [1,0,0,0,0,0|1,0,1]=3 305 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [1,0,0,0,0,0|1,0,1]=3 306 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [1,0,0,0,0,0|1,0,0]=2 307 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [1,0,0,0,0,0|1,0,0]=2 308 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [1,0,0,0,0,0|1,0,0]=2 309 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [1,0,0,0,0,0|1,0,0]=2 310 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [1,0,0,0,0,0|1,0,0]=2 311 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [1,0,0,0,0,0|1,0,0]=2 312 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [1,0,0,0,0,0|1,0,0]=2 313 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [1,0,0,0,0,0|1,0,0]=2 314 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [1,0,0,0,0,0|1,0,0]=2 315 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [1,0,0,0,0,0|1,0,0]=2 316 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [1,0,0,0,0,0|1,0,0]=2 317 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [1,0,0,0,0,0|2,0,0]=3 318 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [1,0,0,0,0,0|2,0,0]=3 319 B8R0.1 CCCC(=O)NCC#N 1626a_100000734998_100000211992 [1,0,0,0,0,0|2,0,1]=4 320 B8R0.1 CCCC(=O)NCC#N 527a_100000734998_100000211992 [1,0,0,0,0,0|2,0,1]=4 321 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [1,0,0,0,0,0|2,0,0]=3 322 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [1,0,0,0,0,0|2,0,0]=3 323 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [1,0,0,0,0,0|2,0,0]=3 324 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [1,0,0,0,0,0|2,0,0]=3 325 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [1,0,0,0,0,0|2,0,0]=3 326 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [1,0,0,0,0,0|2,0,0]=3 327 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [1,0,0,0,0,0|2,0,0]=3 328 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [1,0,0,0,0,0|2,0,0]=3 329 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [1,0,0,0,0,0|2,0,0]=3 330 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [1,0,0,0,0,0|2,0,0]=3 331 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [1,0,0,0,0,0|2,0,0]=3 332 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [1,0,0,0,0,0|2,0,0]=3 333 B8R0.1 CCCC(C)CCOC 34a_100011217855_200000210301 [1,0,0,0,0,0|2,0,1]=4 334 B8R0.1 CCCC(C)CCOC 7a_100011217855_200000210301 [1,0,0,0,0,0|2,0,1]=4 335 B8R0.1 CCCC(C)CCO[13CH3] 34a_100011217855_200025704644 [1,0,0,0,0,0|2,0,1]=4 336 B8R0.1 CCCC(C)CCO[13CH3] 7a_100011217855_200025704644 [1,0,0,0,0,0|2,0,1]=4 337 B8R0.1 CCCC(C)CNCC 2230a_100015525214_100011216630 [1,0,0,0,0,0|2,0,1]=4 338 B8R0.1 CCCC(C)CNCC 270004a_100015525214_100000243154 [1,0,0,0,0,0|2,0,1]=4 339 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [1,0,0,0,0,0|2,0,1]=4 340 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [1,0,0,0,0,0|2,0,1]=4 341 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [1,0,0,0,0,0|2,0,1]=4 342 B8R0.1 CCCC(C)CSCC 62a_100000210202_100011216630 [1,0,0,0,0,0|2,0,1]=4 343 B8R0.1 CCCC(C)CSCC 62a_100011216630_100000210202 [1,0,0,0,0,0|2,0,1]=4 344 B8R0.1 CCCC(C)NCCF 2230a_100000741246_100011217306 [1,0,0,0,0,0|3,0,0]=4 345 B8R0.1 CCCC(C)NCCF 34a_100000724931_100000766640 [1,0,0,0,0,0|3,0,0]=4 346 B8R0.1 CCCC(C)NCCO 2230a_100000741246_100000211926 [1,0,0,0,0,0|3,0,0]=4 347 B8R0.1 CCCC(C)NCCO 2230a_100016997473_100000766640 [1,0,0,0,0,0|3,0,0]=4 348 B8R0.1 CCCC(C)NCCO 270004a_100000210304_100000211909 [1,0,0,0,0,0|3,0,0]=4 349 B8R0.1 CCCC(C)NCCO 34a_100016990907_100000766640 [1,0,0,0,0,0|3,0,0]=4 350 B8R0.1 CCCC(C)NCOC 2230a_100000741246_100000766300 [1,0,0,0,0,0|3,0,0]=4 351 B8R0.1 CCCC(C)NCSC 2230a_100000741246_100011218213 [1,0,0,0,0,0|3,0,0]=4 352 B8R0.1 CCCC(C)OCCBr 34a_100000211926_100000766640 [1,0,0,0,0,0|3,0,0]=4 353 B8R0.1 CCCC(C)OCCF 34a_100000764384_100011217306 [1,0,0,0,0,0|3,0,0]=4 354 B8R0.1 CCCC(C)OCCF 7a_100000764384_100011217306 [1,0,0,0,0,0|3,0,0]=4 355 B8R0.1 CCCC(C)OCCN 34a_100000210304_100000766640 [1,0,0,0,0,0|3,0,0]=4 356 B8R0.1 CCCC(C)OCCO 34a_100000764384_100000211926 [1,0,0,0,0,0|3,0,0]=4 357 B8R0.1 CCCC(C)OCCO 7a_100000764384_100000211926 [1,0,0,0,0,0|3,0,0]=4 358 B8R0.1 CCCC(C)OCSC 34a_100000764384_100011218213 [1,0,0,0,0,0|3,0,0]=4 359 B8R0.1 CCCC(C)SCCF 62a_100000766640_100011217306 [1,0,0,0,0,0|3,0,0]=4 360 B8R0.1 CCCC(C)SCCF 62a_100011217306_100000766640 [1,0,0,0,0,0|3,0,0]=4 361 B8R0.1 CCCC(C)SCCO 62a_100000211926_100000766640 [1,0,0,0,0,0|3,0,0]=4 362 B8R0.1 CCCC(C)SCCO 62a_100000766640_100000211926 [1,0,0,0,0,0|3,0,0]=4 363 B8R0.1 CCCC(C)SCOC 62a_100000766300_100000766640 [1,0,0,0,0,0|3,0,0]=4 364 B8R0.1 CCCC(C)SCOC 62a_100000766640_100000766300 [1,0,0,0,0,0|3,0,0]=4 365 B8R0.1 CCCC(C)SCSC 62a_100000766640_100011218213 [1,0,0,0,0,0|3,0,0]=4 366 B8R0.1 CCCC(C)SCSC 62a_100011218213_100000766640 [1,0,0,0,0,0|3,0,0]=4 367 B8R0.1 CCCCC(=O)C=CBr 1458a_100016273825_100000210211 [1,0,0,0,0,0|1,0,2]=4 368 B8R0.1 CCCCC(=O)C=CCl 1458a_200016279998_100000210211 [1,0,0,0,0,0|1,0,2]=4 369 B8R0.1 CCCCC(=O)C=CI 1458a_100016256311_100000210211 [1,0,0,0,0,0|1,0,2]=4 370 B8R0.1 CCCCC(=O)CC#N 1458a_100000210183_100011214920 [1,0,0,0,0,0|1,0,1]=3 371 B8R0.1 CCCCC(=O)CC#N 1458a_100051588842_100000210211 [1,0,0,0,0,0|1,0,1]=3 372 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [1,0,0,0,0,0|0,0,0]=1 373 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [1,0,0,0,0,0|0,0,0]=1 374 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [1,0,0,0,0,0|1,0,0]=2 375 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [1,0,0,0,0,0|1,0,0]=2 376 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [1,0,0,0,0,0|1,0,0]=2 377 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [1,0,0,0,0,0|1,0,0]=2 378 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [1,0,0,0,0,0|1,0,0]=2 379 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [1,0,0,0,0,0|1,0,0]=2 380 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [1,0,0,0,0,0|1,0,0]=2 381 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [1,0,0,0,0,0|1,0,0]=2 382 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [1,0,0,0,0,0|2,0,0]=3 383 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [1,0,0,0,0,0|2,0,1]=4 384 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [1,0,0,0,0,0|2,0,1]=4 385 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [1,0,0,0,0,0|2,0,1]=4 386 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [1,0,0,0,0,0|2,0,1]=4 387 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [1,0,0,0,0,0|2,0,1]=4 388 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [1,0,0,0,0,0|2,0,1]=4 389 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [1,0,0,0,0,0|2,0,1]=4 390 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [1,0,0,0,0,0|2,0,1]=4 391 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [1,0,0,0,0,0|2,0,1]=4 392 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [1,0,0,0,0,0|2,0,1]=4 393 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [1,0,0,0,0,0|2,0,1]=4 394 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [1,0,0,0,0,0|2,0,1]=4 395 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [1,0,0,0,0,0|2,0,0]=3 396 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [1,0,0,0,0,0|2,0,0]=3 397 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [1,0,0,0,0,0|2,0,0]=3 398 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [1,0,0,0,0,0|2,0,0]=3 399 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [1,0,0,0,0,0|2,0,0]=3 400 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [1,0,0,0,0,0|2,0,0]=3 401 B8R0.1 CCCCN(C)CCF 2230a_100000207549_100011217306 [1,0,0,0,0,0|3,0,0]=4 402 B8R0.1 CCCCN(C)CCF 269982a_100000207549_100011217306 [1,0,0,0,0,0|3,0,0]=4 403 B8R0.1 CCCCN(C)CCO 2230a_100000198060_200000210301 [1,0,0,0,0,0|3,0,0]=4 404 B8R0.1 CCCCN(C)CCO 2230a_100000207549_100000211926 [1,0,0,0,0,0|3,0,0]=4 405 B8R0.1 CCCCN(C)CCO 2230a_100000210263_100000210211 [1,0,0,0,0,0|3,0,0]=4 406 B8R0.1 CCCCN(C)CCO 269982a_100000198060_200000210301 [1,0,0,0,0,0|3,0,0]=4 407 B8R0.1 CCCCN(C)CCO 269982a_100000207549_100000211926 [1,0,0,0,0,0|3,0,0]=4 408 B8R0.1 CCCCN(C)CCO 269982a_100000210263_100000210211 [1,0,0,0,0,0|3,0,0]=4 409 B8R0.1 CCCCN(C)COC 2230a_100000207549_100000766300 [1,0,0,0,0,0|3,0,0]=4 410 B8R0.1 CCCCN(C)COC 269982a_100000207549_100000766300 [1,0,0,0,0,0|3,0,0]=4 411 B8R0.1 CCCCN(C)CSC 2230a_100000207549_100011218213 [1,0,0,0,0,0|3,0,0]=4 412 B8R0.1 CCCCN(C)CSC 269982a_100000207549_100011218213 [1,0,0,0,0,0|3,0,0]=4 413 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [1,0,0,0,0,0|2,0,0]=3 414 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [1,0,0,0,0,0|2,0,0]=3 415 B8R0.1 CCCCN([13CH3])CCO 2230a_100000198060_200025704644 [1,0,0,0,0,0|3,0,0]=4 416 B8R0.1 CCCCN([13CH3])CCO 269982a_100000198060_200025704644 [1,0,0,0,0,0|3,0,0]=4 417 B8R0.1 CCCC[C@H](N)COC 34a_100011934283_200000210301 [1,0,0,0,0,0|2,0,1]=4 418 B8R0.1 CCCC[C@H](N)CO[13CH3] 34a_100011934283_200025704644 [1,0,0,0,0,0|2,0,1]=4 419 B8R0.1 CCCN(C)CCCF 2230a_100000747261_100011934791 [1,0,0,0,0,0|3,0,0]=4 420 B8R0.1 CCCN(C)CCCF 269982a_100000747261_100011934791 [1,0,0,0,0,0|3,0,0]=4 421 B8R0.1 CCCN(C)CCCO 2230a_100000213112_100000210303 [1,0,0,0,0,0|3,0,0]=4 422 B8R0.1 CCCN(C)CCCO 2230a_100000747261_100000230001 [1,0,0,0,0,0|3,0,0]=4 423 B8R0.1 CCCN(C)CCCO 269982a_100000213112_100000210303 [1,0,0,0,0,0|3,0,0]=4 424 B8R0.1 CCCN(C)CCCO 269982a_100000747261_100011215043 [1,0,0,0,0,0|3,0,0]=4 425 B8R0.1 CCCN(C)CCOC 2230a_100000743101_100000210303 [1,0,0,0,0,0|3,0,0]=4 426 B8R0.1 CCCN(C)CCOC 2230a_100000747261_100011201679 [1,0,0,0,0,0|3,0,0]=4 427 B8R0.1 CCCN(C)CCOC 2230a_200011192371_200000210301 [1,0,0,0,0,0|3,0,0]=4 428 B8R0.1 CCCN(C)CCOC 269982a_100000743101_100000210303 [1,0,0,0,0,0|3,0,0]=4 429 B8R0.1 CCCN(C)CCOC 269982a_100000747261_100000233755 [1,0,0,0,0,0|3,0,0]=4 430 B8R0.1 CCCN(C)CCOC 269982a_200011192371_200000210301 [1,0,0,0,0,0|3,0,0]=4 431 B8R0.1 CCCN(C)CCSC 2230a_100000686725_100000210303 [1,0,0,0,0,0|3,0,0]=4 432 B8R0.1 CCCN(C)CCSC 2230a_100000747261_100000751147 [1,0,0,0,0,0|3,0,0]=4 433 B8R0.1 CCCN(C)CCSC 269982a_100000686725_100000210303 [1,0,0,0,0,0|3,0,0]=4 434 B8R0.1 CCCN(C)CCSC 269982a_100000747261_100000212216 [1,0,0,0,0,0|3,0,0]=4 435 B8R0.1 CCCN(C)COCC 269982a_100000747261_100000739092 [1,0,0,0,0,0|3,0,0]=4 436 B8R0.1 CCCN([13CH3])CCOC 2230a_200011192371_200025704644 [1,0,0,0,0,0|3,0,0]=4 437 B8R0.1 CCCN([13CH3])CCOC 269982a_200011192371_200025704644 [1,0,0,0,0,0|3,0,0]=4 438 B8R0.1 CCCNC(=O)CC#N 1626a_100020643023_100051588842 [1,0,0,0,0,0|2,0,1]=4 439 B8R0.1 CCCNC(=O)CC#N 240690a_100020643023_100051588842 [1,0,0,0,0,0|2,0,1]=4 440 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [1,0,0,0,0,0|1,0,0]=2 441 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [1,0,0,0,0,0|1,0,0]=2 442 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [1,0,0,0,0,0|1,0,0]=2 443 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [1,0,0,0,0,0|1,0,0]=2 444 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [1,0,0,0,0,0|2,0,0]=3 445 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [1,0,0,0,0,0|2,0,0]=3 446 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [1,0,0,0,0,0|2,0,0]=3 447 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [1,0,0,0,0,0|2,0,0]=3 448 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [1,0,0,0,0,0|2,0,0]=3 449 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [1,0,0,0,0,0|2,0,0]=3 450 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [1,0,0,0,0,0|2,0,0]=3 451 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [1,0,0,0,0,0|2,0,0]=3 452 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [1,0,0,0,0,0|2,0,0]=3 453 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [1,0,0,0,0,0|2,0,0]=3 454 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [1,0,0,0,0,0|2,0,0]=3 455 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [1,0,0,0,0,0|2,0,0]=3 456 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [1,0,0,0,0,0|2,0,0]=3 457 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [1,0,0,0,0,0|2,0,0]=3 458 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [1,0,0,0,0,0|2,0,0]=3 459 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [1,0,0,0,0,0|2,0,0]=3 460 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [1,0,0,0,0,0|2,0,0]=3 461 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [1,0,0,0,0,0|2,0,0]=3 462 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [1,0,0,0,0,0|2,0,0]=3 463 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [1,0,0,0,0,0|2,0,0]=3 464 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [1,0,0,0,0,0|2,0,0]=3 465 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [1,0,0,0,0,0|2,0,0]=3 466 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [1,0,0,0,0,0|2,0,0]=3 467 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [1,0,0,0,0,0|2,0,0]=3 468 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [1,0,0,0,0,0|2,0,0]=3 469 B8R0.1 CCCNC(=O)NNC 273464a_100020643023_100016993582 [1,0,0,0,0,0|3,0,0]=4 470 B8R0.1 CCCNC(=O)NNC 512a_100016993582_100020643023 [1,0,0,0,0,0|3,0,0]=4 471 B8R0.1 CCCNC(=O)NNC 512a_100020643023_100016993582 [1,0,0,0,0,0|3,0,0]=4 472 B8R0.1 CCCNC(C)CCC 2230a_100000741246_100000210303 [1,0,0,0,0,0|2,0,0]=3 473 B8R0.1 CCCNC(C)CCC 270004a_100020643023_100000211909 [1,0,0,0,0,0|2,0,0]=3 474 B8R0.1 CCCNC(C)COC 270004a_100020643023_100000749346 [1,0,0,0,0,0|3,0,0]=4 475 B8R0.1 CCCNC(C)CSC 270004a_100020643023_100011216314 [1,0,0,0,0,0|3,0,0]=4 476 B8R0.1 CCCN[C@H](C)CCO 2230a_100000706166_100000210303 [1,0,0,0,0,0|3,0,0]=4 477 B8R0.1 CCCN[C@H](C)CCO 34a_100000706166_100000210303 [1,0,0,0,0,0|3,0,0]=4 478 B8R0.1 CCCN[C@H](C)COC 2230a_100000764878_100000210303 [1,0,0,0,0,0|3,0,0]=4 479 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [1,0,0,0,0,0|2,0,0]=3 480 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [1,0,0,0,0,0|2,0,0]=3 481 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [1,0,0,0,0,0|2,0,0]=3 482 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [1,0,0,0,0,0|2,0,0]=3 483 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [1,0,0,0,0,0|2,0,0]=3 484 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [1,0,0,0,0,0|2,0,0]=3 485 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [1,0,0,0,0,0|2,0,0]=3 486 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [1,0,0,0,0,0|2,0,0]=3 487 B8R0.1 CCCOC(C)CCBr 34a_100012276601_100000210303 [1,0,0,0,0,0|3,0,0]=4 488 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [1,0,0,0,0,0|2,0,0]=3 489 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [1,0,0,0,0,0|2,0,0]=3 490 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [1,0,0,0,0,0|2,0,0]=3 491 B8R0.1 CCCOC(C)CCO 34a_100000210258_100009893172 [1,0,0,0,0,0|3,0,0]=4 492 B8R0.1 CCCOC(C)CNC 2230a_100015185124_200000210301 [1,0,0,0,0,0|3,0,0]=4 493 B8R0.1 CCCOC(C)CNC 34a_100015185124_200000210301 [1,0,0,0,0,0|3,0,0]=4 494 B8R0.1 CCCOC(C)CN[13CH3] 2230a_100015185124_200025704644 [1,0,0,0,0,0|3,0,0]=4 495 B8R0.1 CCCOC(C)CN[13CH3] 34a_100015185124_200025704644 [1,0,0,0,0,0|3,0,0]=4 496 B8R0.1 CCCOC(C)COC 34a_100000210258_100000765312 [1,0,0,0,0,0|3,0,0]=4 497 B8R0.1 CCCO[C@H](C)COC 34a_100011934205_100000210303 [1,0,0,0,0,0|3,0,0]=4 498 B8R0.1 CCCSC(C)CCC 62a_100000210303_100000766640 [1,0,0,0,0,0|2,0,0]=3 499 B8R0.1 CCCSC(C)CCC 62a_100000766640_100000210303 [1,0,0,0,0,0|2,0,0]=3 500 B8R0.1 CCCSC(C)CCO 62a_100000210303_100009893172 [1,0,0,0,0,0|3,0,0]=4 501 B8R0.1 CCCSC(C)CCO 62a_100009893172_100000210303 [1,0,0,0,0,0|3,0,0]=4 502 B8R0.1 CCCSC(C)COC 62a_100000210303_100000765312 [1,0,0,0,0,0|3,0,0]=4 503 B8R0.1 CCCSC(C)COC 62a_100000765312_100000210303 [1,0,0,0,0,0|3,0,0]=4 504 B8R0.1 CCC[C@H](N)CCOC 34a_100015193777_200000210301 [1,0,0,0,0,0|2,0,1]=4 505 B8R0.1 CCC[C@H](N)CCO[13CH3] 34a_100015193777_200025704644 [1,0,0,0,0,0|2,0,1]=4 506 B8R0.1 CCC[C@H](N)COCC 34a_100000732646_100000210202 [1,0,0,0,0,0|2,0,1]=4 507 B8R0.1 CCNC(=O)CCC#N 11a_100015525214_100011934036 [1,0,0,0,0,0|2,0,1]=4 508 B8R0.1 CCNC(=O)CCC#N 240690a_100015525214_100011934036 [1,0,0,0,0,0|2,0,1]=4 509 B8R0.1 CCNC(=O)CCC#N 527a_100015525214_100011934036 [1,0,0,0,0,0|2,0,1]=4 510 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [1,0,0,0,0,0|2,0,0]=3 511 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [1,0,0,0,0,0|2,0,0]=3 512 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [1,0,0,0,0,0|2,0,0]=3 513 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [1,0,0,0,0,0|2,0,0]=3 514 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [1,0,0,0,0,0|2,0,0]=3 515 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [1,0,0,0,0,0|2,0,0]=3 516 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [1,0,0,0,0,0|2,0,0]=3 517 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [1,0,0,0,0,0|2,0,0]=3 518 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [1,0,0,0,0,0|2,0,0]=3 519 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [1,0,0,0,0,0|2,0,0]=3 520 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [1,0,0,0,0,0|2,0,0]=3 521 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [1,0,0,0,0,0|2,0,0]=3 522 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [1,0,0,0,0,0|2,0,0]=3 523 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [1,0,0,0,0,0|2,0,0]=3 524 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [1,0,0,0,0,0|2,0,0]=3 525 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [1,0,0,0,0,0|2,0,0]=3 526 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [1,0,0,0,0,0|2,0,0]=3 527 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [1,0,0,0,0,0|2,0,0]=3 528 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [1,0,0,0,0,0|2,0,0]=3 529 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [1,0,0,0,0,0|2,0,0]=3 530 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [1,0,0,0,0,0|2,0,0]=3 531 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [1,0,0,0,0,0|2,0,0]=3 532 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [1,0,0,0,0,0|2,0,0]=3 533 B8R0.1 CCNC(=O)CSCF 62a_100000183381_100015361967 [1,0,0,0,0,0|3,0,0]=4 534 B8R0.1 CCNC(=O)CSCF 62a_100015361967_100000183381 [1,0,0,0,0,0|3,0,0]=4 535 B8R0.1 CCNC(=O)NCCF 2708a_100015525214_100000724931 [1,0,0,0,0,0|3,0,0]=4 536 B8R0.1 CCNC(=O)NCCF 273464a_100000724931_100015525214 [1,0,0,0,0,0|3,0,0]=4 537 B8R0.1 CCNC(=O)NCCF 273464a_100015525214_100000724931 [1,0,0,0,0,0|3,0,0]=4 538 B8R0.1 CCNC(=O)NCCF 512a_100015525214_100000724931 [1,0,0,0,0,0|3,0,0]=4 539 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [1,0,0,0,0,0|3,0,0]=4 540 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [1,0,0,0,0,0|3,0,0]=4 541 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [1,0,0,0,0,0|3,0,0]=4 542 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [1,0,0,0,0,0|3,0,0]=4 543 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [1,0,0,0,0,0|2,0,0]=3 544 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [1,0,0,0,0,0|2,0,0]=3 545 B8R0.1 CCNCC(=O)NCO 2230a_100015525214_100000185155 [1,0,0,0,0,0|3,0,0]=4 546 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [1,0,0,0,0,0|2,0,0]=3 547 B8R0.1 CCNCC(O)COC 2230a_100000756049_100000210202 [1,0,0,0,0,0|2,0,1]=4 548 B8R0.1 CCNCC(O)COC 34a_100000756049_100000210202 [1,0,0,0,0,0|2,0,1]=4 549 B8R0.1 CCNNC(=O)CCO 22a_100000756455_100011216618 [1,0,0,0,0,0|3,0,0]=4 550 B8R0.1 CCNNC(=O)COC 22a_100000756455_100000210968 [1,0,0,0,0,0|3,0,0]=4 551 B8R0.1 CCNNC(=O)CSC 22a_100000756455_100000184570 [1,0,0,0,0,0|3,0,0]=4 552 B8R0.1 CCNNC(=O)NCC 273464a_100015525214_100000756455 [1,0,0,0,0,0|3,0,0]=4 553 B8R0.1 CCNNC(=O)NCC 512a_100000756455_100015525214 [1,0,0,0,0,0|3,0,0]=4 554 B8R0.1 CCNNC(=O)NCC 512a_100015525214_100000756455 [1,0,0,0,0,0|3,0,0]=4 555 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [1,0,0,0,0,0|2,0,0]=3 556 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [1,0,0,0,0,0|2,0,0]=3 557 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [1,0,0,0,0,0|2,0,0]=3 558 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [1,0,0,0,0,0|2,0,0]=3 559 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [1,0,0,0,0,0|2,0,0]=3 560 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [1,0,0,0,0,0|2,0,0]=3 561 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [1,0,0,0,0,0|2,0,0]=3 562 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [1,0,0,0,0,0|2,0,0]=3 563 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [1,0,0,0,0,0|2,0,0]=3 564 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [1,0,0,0,0,0|2,0,0]=3 565 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [1,0,0,0,0,0|3,0,0]=4 566 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [1,0,0,0,0,0|3,0,0]=4 567 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [1,0,0,0,0,0|3,0,0]=4 568 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [1,0,0,0,0,0|3,0,0]=4 569 B8R0.1 CCOCC(=O)CC#N 1458a_100000211967_100011214920 [1,0,0,0,0,0|2,0,1]=4 570 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [1,0,0,0,0,0|2,0,0]=3 571 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [1,0,0,0,0,0|2,0,0]=3 572 B8R0.1 CCOCC(=O)NCO 34a_100121572206_100000185155 [1,0,0,0,0,0|3,0,0]=4 573 B8R0.1 CCOCC(=O)NNC 22a_100016993582_100000211967 [1,0,0,0,0,0|3,0,0]=4 574 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [1,0,0,0,0,0|2,0,0]=3 575 B8R0.1 CCOCC(O)CNC 2230a_102515437182_200000210301 [1,0,0,0,0,0|2,0,1]=4 576 B8R0.1 CCOCC(O)CNC 34a_102515437182_200000210301 [1,0,0,0,0,0|2,0,1]=4 577 B8R0.1 CCOCC(O)CN[13CH3] 2230a_102515437182_200025704644 [1,0,0,0,0,0|2,0,1]=4 578 B8R0.1 CCOCC(O)CN[13CH3] 34a_102515437182_200025704644 [1,0,0,0,0,0|2,0,1]=4 579 B8R0.1 CCOCC(O)COC 34a_100121572206_100011215053 [1,0,0,0,0,0|2,0,1]=4 580 B8R0.1 CCSCC(=O)CC#N 1458a_100000230394_100011214920 [1,0,0,0,0,0|2,0,1]=4 581 B8R0.1 CCSCC(=O)CCF 1458a_100000230394_100011217306 [1,0,0,0,0,0|2,0,0]=3 582 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [1,0,0,0,0,0|2,0,0]=3 583 B8R0.1 CCSCC(=O)NCO 62a_100000185155_100000210202 [1,0,0,0,0,0|3,0,0]=4 584 B8R0.1 CCSCC(=O)NCO 62a_100000210202_100000185155 [1,0,0,0,0,0|3,0,0]=4 585 B8R0.1 CCSCC(=O)NNC 22a_100016993582_100000230394 [1,0,0,0,0,0|3,0,0]=4 586 B8R0.1 CCSCC(O)COC 62a_100000210202_100011215053 [1,0,0,0,0,0|2,0,1]=4 587 B8R0.1 CCSCC(O)COC 62a_100011215053_100000210202 [1,0,0,0,0,0|2,0,1]=4 588 B8R0.1 CNCC(=O)NCCF 2230a_100000725713_200000210301 [1,0,0,0,0,0|3,0,0]=4 589 B8R0.1 CNNC(=O)CCOC 22a_100016993582_100000749529 [1,0,0,0,0,0|3,0,0]=4 590 B8R0.1 CNNC(=O)CCSC 22a_100016993582_100000174002 [1,0,0,0,0,0|3,0,0]=4 591 B8R0.1 COCC(=O)CCC#N 1458a_100000210968_100011215226 [1,0,0,0,0,0|2,0,1]=4 592 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [1,0,0,0,0,0|2,0,0]=3 593 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [1,0,0,0,0,0|2,0,0]=3 594 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [1,0,0,0,0,0|2,0,0]=3 595 B8R0.1 COCC(=O)NCCF 11a_100000724931_100000210968 [1,0,0,0,0,0|3,0,0]=4 596 B8R0.1 COCC(=O)NCCF 1626a_100000724931_100000210968 [1,0,0,0,0,0|3,0,0]=4 597 B8R0.1 COCC(=O)NCCF 240690a_100000724931_100000210968 [1,0,0,0,0,0|3,0,0]=4 598 B8R0.1 COCC(=O)NCCF 527a_100000724931_100000210968 [1,0,0,0,0,0|3,0,0]=4 599 B8R0.1 COCC(=O)NCCO 240690a_100000210304_100000210968 [1,0,0,0,0,0|3,0,0]=4 600 B8R0.1 COCC(=O)NCCO 527a_100000210304_100000210968 [1,0,0,0,0,0|3,0,0]=4 601 B8R0.1 COCCC(=O)CC#N 1458a_100000749529_100011214920 [1,0,0,0,0,0|2,0,1]=4 602 B8R0.1 COCCC(=O)CC#N 1458a_100051588842_100000233755 [1,0,0,0,0,0|2,0,1]=4 603 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [1,0,0,0,0,0|2,0,0]=3 604 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [1,0,0,0,0,0|2,0,0]=3 605 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [1,0,0,0,0,0|2,0,0]=3 606 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [1,0,0,0,0,0|2,0,0]=3 607 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [1,0,0,0,0,0|2,0,0]=3 608 B8R0.1 CSCC(=O)CCC#N 1458a_100000184570_100011215226 [1,0,0,0,0,0|2,0,1]=4 609 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [1,0,0,0,0,0|2,0,0]=3 610 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [1,0,0,0,0,0|2,0,0]=3 611 B8R0.1 CSCC(=O)NCCF 11a_100000724931_100000184570 [1,0,0,0,0,0|3,0,0]=4 612 B8R0.1 CSCC(=O)NCCF 1626a_100000724931_100000184570 [1,0,0,0,0,0|3,0,0]=4 613 B8R0.1 CSCC(=O)NCCF 240690a_100000724931_100000184570 [1,0,0,0,0,0|3,0,0]=4 614 B8R0.1 CSCC(=O)NCCF 527a_100000724931_100000184570 [1,0,0,0,0,0|3,0,0]=4 615 B8R0.1 CSCC(=O)NCCO 240690a_100000210304_100000184570 [1,0,0,0,0,0|3,0,0]=4 616 B8R0.1 CSCC(=O)NCCO 527a_100000210304_100000184570 [1,0,0,0,0,0|3,0,0]=4 617 B8R0.1 CSCCC(=O)CC#N 1458a_100000174002_100011214920 [1,0,0,0,0,0|2,0,1]=4 618 B8R0.1 CSCCC(=O)CC#N 1458a_100051588842_100000751147 [1,0,0,0,0,0|2,0,1]=4 619 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [1,0,0,0,0,0|2,0,0]=3 620 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [1,0,0,0,0,0|2,0,0]=3 621 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [1,0,0,0,0,0|2,0,0]=3 622 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [1,0,0,0,0,0|2,0,0]=3 623 B8R0.1 N#CCC(=O)CCCF 1458a_100051588842_100011934791 [1,0,0,0,0,0|2,0,1]=4 624 B8R0.1 N#CCC(=O)CCCO 1458a_100051588842_100011215043 [1,0,0,0,0,0|2,0,1]=4 625 B8R0.1 N#CCCC(=O)CCF 1458a_100011934036_100011217306 [1,0,0,0,0,0|2,0,1]=4 626 B8R0.1 N#CCCC(=O)CCO 1458a_100011216618_100011215226 [1,0,0,0,0,0|2,0,1]=4 627 B8R0.1 N#CCCC(=O)CCO 1458a_100011934036_100000211926 [1,0,0,0,0,0|2,0,1]=4 628 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [1,0,0,0,0,0|2,0,0]=3 629 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [1,0,0,0,0,0|2,0,0]=3 630 B8R0.1 O=C(CCO)NCCF 240690a_100000724931_100011216618 [1,0,0,0,0,0|3,0,0]=4 631 B8R0.1 O=C(CCO)NCCO 240690a_100000210304_100011216618 [1,0,0,0,0,0|3,0,0]=4 632 B8R0.1 [13CH3]NCC(=O)NCCF 2230a_100000725713_200025704644 [1,0,0,0,0,0|3,0,0]=4 633 B8R0.3 C#CC(=O)C(C)CCC 1458a_100000211873_100000766640 [1,0,0,0,0,0|1,0,2]=4 634 B8R0.3 C#CC(C)C(=O)CCC 1458a_100000211992_200000035995 [1,0,0,0,0,0|1,0,2]=4 635 B8R0.3 C#CCC(=O)C(C)CC 1458a_100011192722_100000184674 [1,0,0,0,0,0|1,0,2]=4 636 B8R0.3 C#CCC(=O)C(C)CC 1458a_100011220946_100000758301 [1,0,0,0,0,0|1,0,2]=4 637 B8R0.3 C#CCC(=O)C(O)CC 1458a_100011196387_100000184674 [1,0,0,0,0,0|0,0,2]=3 638 B8R0.3 C#CCC(=O)C(O)CO 1458a_100011215603_100000184674 [1,0,0,0,0,0|1,0,2]=4 639 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [1,0,0,0,0,0|1,0,2]=4 640 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [1,0,0,0,0,0|1,0,2]=4 641 B8R0.3 C=CC(C)C(=O)CCC 1458a_100011216780_100000210303 [1,0,0,0,0,0|1,0,2]=4 642 B8R0.3 C=CCC(=O)C(C)CC 1458a_100000210193_100000758301 [1,0,0,0,0,0|1,0,2]=4 643 B8R0.3 C=CCC(=O)C(C)CC 1458a_100011192722_100000210623 [1,0,0,0,0,0|1,0,2]=4 644 B8R0.3 C=CCC(=O)C(O)CC 1458a_100011196387_100000210623 [1,0,0,0,0,0|0,0,2]=3 645 B8R0.3 C=CCC(=O)C(O)CO 1458a_100011215603_100000210623 [1,0,0,0,0,0|1,0,2]=4 646 B8R0.3 C=CCC(C)C(=O)CC 1458a_100011216819_100000210202 [1,0,0,0,0,0|1,0,2]=4 647 B8R0.3 CC#CC(=O)C(C)CC 1458a_100000763181_100000758301 [1,0,0,0,0,0|1,0,2]=4 648 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [1,0,0,0,0,0|3,0,0]=4 649 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [1,0,0,0,0,0|1,0,2]=4 650 B8R0.3 CC=CC(=O)C(C)CC 1458a_100000210699_100000758301 [1,0,0,0,0,0|1,0,2]=4 651 B8R0.3 CCC(=O)C(C)CC#N 1458a_100000210414_100009813641 [1,0,0,0,0,0|2,0,1]=4 652 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [1,0,0,0,0,0|2,0,0]=3 653 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [1,0,0,0,0,0|2,0,0]=3 654 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [1,0,0,0,0,0|2,0,0]=3 655 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [1,0,0,0,0,0|2,0,0]=3 656 B8R0.3 CCC(=O)C(C)SCF 62a_100000742827_100015361967 [1,0,0,0,0,0|3,0,0]=4 657 B8R0.3 CCC(=O)C(C)SCF 62a_100015361967_100000742827 [1,0,0,0,0,0|3,0,0]=4 658 B8R0.3 CCC(=O)N(C)CCO 240690a_100000210263_100000210414 [1,0,0,0,0,0|3,0,0]=4 659 B8R0.3 CCC(=O)N(C)CCO 527a_100000210263_100000210414 [1,0,0,0,0,0|3,0,0]=4 660 B8R0.3 CCC(C)C(=O)CC#N 1458a_100011192722_100011214920 [1,0,0,0,0,0|2,0,1]=4 661 B8R0.3 CCC(C)C(=O)CC#N 1458a_100051588842_100000758301 [1,0,0,0,0,0|2,0,1]=4 662 B8R0.3 CCC(C)C(=O)CCF 1458a_100011192722_100011217306 [1,0,0,0,0,0|2,0,0]=3 663 B8R0.3 CCC(C)C(=O)CCO 1458a_100011192722_100000211926 [1,0,0,0,0,0|2,0,0]=3 664 B8R0.3 CCC(C)C(=O)CCO 1458a_100011216618_100000758301 [1,0,0,0,0,0|2,0,0]=3 665 B8R0.3 CCC(C)C(=O)COC 1458a_100000210968_100000758301 [1,0,0,0,0,0|2,0,0]=3 666 B8R0.3 CCC(C)C(=O)CSC 1458a_100000184570_100000758301 [1,0,0,0,0,0|2,0,0]=3 667 B8R0.3 CCC(C)C(=O)NNC 22a_100016993582_100011192722 [1,0,0,0,0,0|3,0,0]=4 668 B8R0.3 CCC(O)C(=O)CC#N 1458a_100011196387_100011214920 [1,0,0,0,0,0|1,0,1]=3 669 B8R0.3 CCC(O)C(=O)CCF 1458a_100011196387_100011217306 [1,0,0,0,0,0|1,0,0]=2 670 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [1,0,0,0,0,0|1,0,0]=2 671 B8R0.3 CCC(O)C(=O)NNC 22a_100016993582_100011196387 [1,0,0,0,0,0|2,0,0]=3 672 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [1,0,0,0,0,0|1,0,2]=4 673 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000211992_100000703298 [1,0,0,0,0,0|2,0,1]=4 674 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000753662_100000210303 [1,0,0,0,0,0|2,0,1]=4 675 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [1,0,0,0,0,0|1,0,0]=2 676 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [1,0,0,0,0,0|1,0,0]=2 677 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [1,0,0,0,0,0|2,0,0]=3 678 B8R0.3 CCCC(=O)C(C)SC 1458a_100000149566_100000210303 [1,0,0,0,0,0|2,0,0]=3 679 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [1,0,0,0,0,0|0,0,0]=1 680 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [1,0,0,0,0,0|1,0,0]=2 681 B8R0.3 CCCC(=O)N(C)CC 11a_100000225621_100000211992 [1,0,0,0,0,0|2,0,0]=3 682 B8R0.3 CCCC(=O)N(C)CC 1626a_100000225621_100000211992 [1,0,0,0,0,0|2,0,0]=3 683 B8R0.3 CCCC(=O)N(C)CC 240690a_100000225621_100000211992 [1,0,0,0,0,0|2,0,0]=3 684 B8R0.3 CCCC(=O)N(C)CC 527a_100000225621_100000211992 [1,0,0,0,0,0|2,0,0]=3 685 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [1,0,0,0,0,0|1,0,0]=2 686 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [1,0,0,0,0,0|1,0,0]=2 687 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [1,0,0,0,0,0|2,0,0]=3 688 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [1,0,0,0,0,0|2,0,0]=3 689 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [1,0,0,0,0,0|2,0,0]=3 690 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [1,0,0,0,0,0|2,0,0]=3 691 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [1,0,0,0,0,0|2,0,0]=3 692 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [1,0,0,0,0,0|2,0,0]=3 693 B8R0.3 CCCC(C)N(C)CC 2230a_100000225621_100000766640 [1,0,0,0,0,0|3,0,0]=4 694 B8R0.3 CCCC(C)N(C)CC 269982a_100000225621_100000766640 [1,0,0,0,0,0|3,0,0]=4 695 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [1,0,0,0,0,0|2,0,0]=3 696 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [1,0,0,0,0,0|2,0,0]=3 697 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [1,0,0,0,0,0|2,0,0]=3 698 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [1,0,0,0,0,0|2,0,0]=3 699 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [1,0,0,0,0,0|3,0,0]=4 700 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [1,0,0,0,0,0|3,0,0]=4 701 B8R0.3 CCCN(C)C(=O)NC 2708a_100102657272_100000747261 [1,0,0,0,0,0|3,0,0]=4 702 B8R0.3 CCCN(C)C(=O)NC 273464a_100102657272_100000747261 [1,0,0,0,0,0|3,0,0]=4 703 B8R0.3 CCCN(C)C(C)CC 2230a_100000741768_100000210303 [1,0,0,0,0,0|3,0,0]=4 704 B8R0.3 CCCN(C)C(C)CC 2230a_100000747261_100000758301 [1,0,0,0,0,0|3,0,0]=4 705 B8R0.3 CCCN(C)C(C)CC 2230a_200011216551_200000210301 [1,0,0,0,0,0|3,0,0]=4 706 B8R0.3 CCCN(C)C(C)CC 269982a_100000741768_100000210303 [1,0,0,0,0,0|3,0,0]=4 707 B8R0.3 CCCN(C)C(C)CC 269982a_100000747261_100000758301 [1,0,0,0,0,0|3,0,0]=4 708 B8R0.3 CCCN(C)C(C)CC 269982a_200011216551_200000210301 [1,0,0,0,0,0|3,0,0]=4 709 B8R0.3 CCCN([13CH3])C(C)CC 2230a_200011216551_200025704644 [1,0,0,0,0,0|3,0,0]=4 710 B8R0.3 CCCN([13CH3])C(C)CC 269982a_200011216551_200025704644 [1,0,0,0,0,0|3,0,0]=4 711 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [1,0,0,0,0,0|0,0,0]=1 712 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [1,0,0,0,0,0|1,0,0]=2 713 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [1,0,0,0,0,0|1,0,0]=2 714 B8R0.3 CCN(C)C(=O)CCO 240690a_100000225621_100011216618 [1,0,0,0,0,0|3,0,0]=4 715 B8R0.3 CCN(C)C(=O)CNC 2230a_106832991635_100000738999 [1,0,0,0,0,0|3,0,0]=4 716 B8R0.3 CCN(C)C(=O)CNC 34a_100102657272_100000738999 [1,0,0,0,0,0|3,0,0]=4 717 B8R0.3 CCN(C)C(=O)CNC 7a_106832991635_100000738999 [1,0,0,0,0,0|3,0,0]=4 718 B8R0.3 CCN(C)C(=O)COC 11a_100000225621_100000210968 [1,0,0,0,0,0|3,0,0]=4 719 B8R0.3 CCN(C)C(=O)COC 1626a_100000225621_100000210968 [1,0,0,0,0,0|3,0,0]=4 720 B8R0.3 CCN(C)C(=O)COC 240690a_100000225621_100000210968 [1,0,0,0,0,0|3,0,0]=4 721 B8R0.3 CCN(C)C(=O)COC 34a_100138415774_100000738999 [1,0,0,0,0,0|3,0,0]=4 722 B8R0.3 CCN(C)C(=O)COC 527a_100000225621_100000210968 [1,0,0,0,0,0|3,0,0]=4 723 B8R0.3 CCN(C)C(=O)CSC 11a_100000225621_100000184570 [1,0,0,0,0,0|3,0,0]=4 724 B8R0.3 CCN(C)C(=O)CSC 1626a_100000225621_100000184570 [1,0,0,0,0,0|3,0,0]=4 725 B8R0.3 CCN(C)C(=O)CSC 240690a_100000225621_100000184570 [1,0,0,0,0,0|3,0,0]=4 726 B8R0.3 CCN(C)C(=O)CSC 527a_100000225621_100000184570 [1,0,0,0,0,0|3,0,0]=4 727 B8R0.3 CCN(C)C(=O)CSC 62a_100000738999_200000210301 [1,0,0,0,0,0|3,0,0]=4 728 B8R0.3 CCN(C)C(=O)CSC 62a_200000210301_100000738999 [1,0,0,0,0,0|3,0,0]=4 729 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_100000738999_200025704644 [1,0,0,0,0,0|3,0,0]=4 730 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_200025704644_100000738999 [1,0,0,0,0,0|3,0,0]=4 731 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [1,0,0,0,0,0|1,0,2]=4 732 B8R0.3 CCNC(=O)C(C)CC 11a_100015525214_100011192722 [1,0,0,0,0,0|2,0,0]=3 733 B8R0.3 CCNC(=O)C(C)CC 240690a_100015525214_100011192722 [1,0,0,0,0,0|2,0,0]=3 734 B8R0.3 CCNC(=O)C(C)CC 527a_100015525214_100011192722 [1,0,0,0,0,0|2,0,0]=3 735 B8R0.3 CCNC(=O)C(C)NC 2230a_100000736553_200000210301 [1,0,0,0,0,0|3,0,0]=4 736 B8R0.3 CCNC(=O)C(C)NC 2230a_106832991635_100000230173 [1,0,0,0,0,0|3,0,0]=4 737 B8R0.3 CCNC(=O)C(C)NC 34a_100000736553_200000210301 [1,0,0,0,0,0|3,0,0]=4 738 B8R0.3 CCNC(=O)C(C)NC 34a_100102657272_100000230173 [1,0,0,0,0,0|3,0,0]=4 739 B8R0.3 CCNC(=O)C(C)NC 7a_106832991635_100000230173 [1,0,0,0,0,0|3,0,0]=4 740 B8R0.3 CCNC(=O)C(C)N[13CH3] 2230a_100000736553_200025704644 [1,0,0,0,0,0|3,0,0]=4 741 B8R0.3 CCNC(=O)C(C)N[13CH3] 34a_100000736553_200025704644 [1,0,0,0,0,0|3,0,0]=4 742 B8R0.3 CCNC(=O)C(C)OC 11a_100015525214_100000743197 [1,0,0,0,0,0|3,0,0]=4 743 B8R0.3 CCNC(=O)C(C)OC 240690a_100015525214_100000743197 [1,0,0,0,0,0|3,0,0]=4 744 B8R0.3 CCNC(=O)C(C)OC 34a_100138415774_100000230173 [1,0,0,0,0,0|3,0,0]=4 745 B8R0.3 CCNC(=O)C(C)OC 527a_100015525214_100000743197 [1,0,0,0,0,0|3,0,0]=4 746 B8R0.3 CCNC(=O)C(C)SC 11a_100015525214_100000149566 [1,0,0,0,0,0|3,0,0]=4 747 B8R0.3 CCNC(=O)C(C)SC 240690a_100015525214_100000149566 [1,0,0,0,0,0|3,0,0]=4 748 B8R0.3 CCNC(=O)C(C)SC 527a_100015525214_100000149566 [1,0,0,0,0,0|3,0,0]=4 749 B8R0.3 CCNC(=O)C(C)SC 62a_100000230173_200000210301 [1,0,0,0,0,0|3,0,0]=4 750 B8R0.3 CCNC(=O)C(C)SC 62a_200000210301_100000230173 [1,0,0,0,0,0|3,0,0]=4 751 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_100000230173_200025704644 [1,0,0,0,0,0|3,0,0]=4 752 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230173 [1,0,0,0,0,0|3,0,0]=4 753 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [1,0,0,0,0,0|1,0,0]=2 754 B8R0.3 CCNC(=O)C(O)CO 240690a_100015525214_100011215603 [1,0,0,0,0,0|2,0,0]=3 755 B8R0.3 CCNC(=O)N(C)CC 2708a_100015525214_100000225621 [1,0,0,0,0,0|3,0,0]=4 756 B8R0.3 CCNC(=O)N(C)CC 273464a_100015525214_100000225621 [1,0,0,0,0,0|3,0,0]=4 757 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [1,0,0,0,0,0|2,0,0]=3 758 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [1,0,0,0,0,0|3,0,0]=4 759 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [1,0,0,0,0,0|3,0,0]=4 760 B8R0.3 CCNC(F)C(=O)NC 2230a_100015525214_100009813575 [1,0,0,0,0,0|3,0,0]=4 761 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [1,0,0,0,0,0|3,0,0]=4 762 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [1,0,0,0,0,0|3,0,0]=4 763 B8R0.3 CCOC(=O)C(C)NC 2230a_106832991635_100011215307 [1,0,0,0,0,0|3,0,0]=4 764 B8R0.3 CCOC(=O)C(C)NC 34a_100102657272_100011216346 [1,0,0,0,0,0|3,0,0]=4 765 B8R0.3 CCOC(=O)C(C)NC 7a_106832991635_100011216346 [1,0,0,0,0,0|3,0,0]=4 766 B8R0.3 CCOC(=O)C(C)OC 34a_100138415774_100011216346 [1,0,0,0,0,0|3,0,0]=4 767 B8R0.3 CCOC(=O)C(C)SC 62a_100011216346_200000210301 [1,0,0,0,0,0|3,0,0]=4 768 B8R0.3 CCOC(=O)C(C)SC 62a_200000210301_100011216346 [1,0,0,0,0,0|3,0,0]=4 769 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_100011216346_200025704644 [1,0,0,0,0,0|3,0,0]=4 770 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_200025704644_100011216346 [1,0,0,0,0,0|3,0,0]=4 771 B8R0.3 CCOC(=O)C(F)NC 2230a_106832991635_100000760018 [1,0,0,0,0,0|3,0,0]=4 772 B8R0.3 CCOC(=O)C(F)NC 34a_100102657272_100000760018 [1,0,0,0,0,0|3,0,0]=4 773 B8R0.3 CCOC(=O)C(F)NC 7a_106832991635_100000040065 [1,0,0,0,0,0|3,0,0]=4 774 B8R0.3 CCOC(=O)C(F)OC 34a_100138415774_100000760018 [1,0,0,0,0,0|3,0,0]=4 775 B8R0.3 CCOC(=O)C(F)SC 62a_100000760018_200000210301 [1,0,0,0,0,0|3,0,0]=4 776 B8R0.3 CCOC(=O)C(F)SC 62a_200000210301_100000760018 [1,0,0,0,0,0|3,0,0]=4 777 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_100000760018_200025704644 [1,0,0,0,0,0|3,0,0]=4 778 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_200025704644_100000760018 [1,0,0,0,0,0|3,0,0]=4 779 B8R0.3 CCOC(=O)[C@H](C)OC 7a_100000751109_200000210301 [1,0,0,0,0,0|3,0,0]=4 780 B8R0.3 CCOC(=O)[C@H](C)O[13CH3] 7a_100000751109_200025704644 [1,0,0,0,0,0|3,0,0]=4 781 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [1,0,0,0,0,0|2,0,0]=3 782 B8R0.3 CCOC(C)C(=O)CF 1458a_100000739345_100015361967 [1,0,0,0,0,0|3,0,0]=4 783 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [1,0,0,0,0,0|3,0,0]=4 784 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [1,0,0,0,0,0|3,0,0]=4 785 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [1,0,0,0,0,0|3,0,0]=4 786 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [1,0,0,0,0,0|3,0,0]=4 787 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [1,0,0,0,0,0|3,0,0]=4 788 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [1,0,0,0,0,0|3,0,0]=4 789 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [1,0,0,0,0,0|3,0,0]=4 790 B8R0.3 CCOC(F)C(=O)NC 34a_100121572206_100009813575 [1,0,0,0,0,0|3,0,0]=4 791 B8R0.3 CCSC(=O)[C@H](C)NC 2230a_100103168634_200000210301 [1,0,0,0,0,0|3,0,0]=4 792 B8R0.3 CCSC(=O)[C@H](C)N[13CH3] 2230a_100103168634_200025704644 [1,0,0,0,0,0|3,0,0]=4 793 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [1,0,0,0,0,0|2,0,0]=3 794 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [1,0,0,0,0,0|2,0,0]=3 795 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [1,0,0,0,0,0|2,0,0]=3 796 B8R0.3 CCSC(C)C(=O)CF 1458a_100000230601_100015361967 [1,0,0,0,0,0|3,0,0]=4 797 B8R0.3 CCSC(C)C(=O)NC 11a_106832991635_100000230601 [1,0,0,0,0,0|3,0,0]=4 798 B8R0.3 CCSC(C)C(=O)NC 1626a_100102657272_100000230601 [1,0,0,0,0,0|3,0,0]=4 799 B8R0.3 CCSC(C)C(=O)NC 240690a_100102657272_100000230601 [1,0,0,0,0,0|3,0,0]=4 800 B8R0.3 CCSC(C)C(=O)NC 527a_100102657272_100000230601 [1,0,0,0,0,0|3,0,0]=4 801 B8R0.3 CCSC(C)C(=O)NC 62a_100000209862_100000210202 [1,0,0,0,0,0|3,0,0]=4 802 B8R0.3 CCSC(C)C(=O)NC 62a_100000210202_100000731044 [1,0,0,0,0,0|3,0,0]=4 803 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [1,0,0,0,0,0|3,0,0]=4 804 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [1,0,0,0,0,0|3,0,0]=4 805 B8R0.3 CCSC(F)C(=O)NC 62a_100000210202_100009813575 [1,0,0,0,0,0|3,0,0]=4 806 B8R0.3 CCSC(F)C(=O)NC 62a_100009813575_100000210202 [1,0,0,0,0,0|3,0,0]=4 807 B8R0.3 CNC(=O)C(C)CN[13CH3] 2230a_100015187722_200025704644 [1,0,0,0,0,0|3,0,0]=4 808 B8R0.3 CNC(=O)C(C)CN[13CH3] 34a_100015187722_200025704644 [1,0,0,0,0,0|3,0,0]=4 809 B8R0.3 CNC(=O)C(C)COC 11a_106832991635_100000751857 [1,0,0,0,0,0|3,0,0]=4 810 B8R0.3 CNC(=O)C(C)COC 1626a_100102657272_100000751857 [1,0,0,0,0,0|3,0,0]=4 811 B8R0.3 CNC(=O)C(C)COC 240690a_100102657272_100000751857 [1,0,0,0,0,0|3,0,0]=4 812 B8R0.3 CNC(=O)C(C)COC 527a_100102657272_100000751857 [1,0,0,0,0,0|3,0,0]=4 813 B8R0.3 CNC(=O)C(C)CSC 11a_106832991635_100000753918 [1,0,0,0,0,0|3,0,0]=4 814 B8R0.3 CNC(=O)C(C)CSC 1626a_100102657272_100000753918 [1,0,0,0,0,0|3,0,0]=4 815 B8R0.3 CNC(=O)C(C)CSC 240690a_100102657272_100000753918 [1,0,0,0,0,0|3,0,0]=4 816 B8R0.3 CNC(=O)C(C)CSC 527a_100102657272_100000753918 [1,0,0,0,0,0|3,0,0]=4 817 B8R0.3 CNCC(C)C(=O)NC 2230a_100015187722_200000210301 [1,0,0,0,0,0|3,0,0]=4 818 B8R0.3 CNCC(C)C(=O)NC 34a_100015187722_200000210301 [1,0,0,0,0,0|3,0,0]=4 819 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [1,0,0,0,0,0|3,0,0]=4 820 B8R0.3 CNNC(=O)C(O)CO 22a_100016993582_100011215603 [1,0,0,0,0,0|3,0,0]=4 821 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [1,0,0,0,0,0|3,0,0]=4 822 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [1,0,0,0,0,0|3,0,0]=4 823 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [1,0,0,0,0,0|3,0,0]=4 824 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [1,0,0,0,0,0|3,0,0]=4 825 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [1,0,0,0,0,0|3,0,0]=4 826 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [1,0,0,0,0,0|3,0,0]=4 827 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [1,0,0,0,0,0|3,0,0]=4 828 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [1,0,0,0,0,0|3,0,0]=4 829 B8R0.3 COC(C)C(=O)CCF 1458a_100000743197_100011217306 [1,0,0,0,0,0|3,0,0]=4 830 B8R0.3 COC(C)C(=O)CCO 1458a_100000743197_100000211926 [1,0,0,0,0,0|3,0,0]=4 831 B8R0.3 COCC(C)C(=O)CF 1458a_100000751857_100015361967 [1,0,0,0,0,0|3,0,0]=4 832 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [1,0,0,0,0,0|3,0,0]=4 833 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [1,0,0,0,0,0|3,0,0]=4 834 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [1,0,0,0,0,0|3,0,0]=4 835 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [1,0,0,0,0,0|3,0,0]=4 836 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [1,0,0,0,0,0|3,0,0]=4 837 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [1,0,0,0,0,0|3,0,0]=4 838 B8R0.3 CSC(C)C(=O)CCF 1458a_100000149566_100011217306 [1,0,0,0,0,0|3,0,0]=4 839 B8R0.3 CSC(C)C(=O)CCO 1458a_100000149566_100000211926 [1,0,0,0,0,0|3,0,0]=4 840 B8R0.3 CSCC(C)C(=O)CF 1458a_100000753918_100015361967 [1,0,0,0,0,0|3,0,0]=4 841 B8R0.3 N#CCC(=O)C(O)CO 1458a_100011215603_100011214920 [1,0,0,0,0,0|2,0,1]=4 842 B8R0.3 O=C(CCF)C(O)CO 1458a_100011215603_100011217306 [1,0,0,0,0,0|2,0,0]=3 843 B8R0.3 O=C(CCO)C(O)CO 1458a_100011215603_100000211926 [1,0,0,0,0,0|2,0,0]=3 844 B10R0.19 C#CCC(=O)C(C)CCCC 1458a_100000725509_100000184674 [0,1,0,0,0,0|1,0,2]=4 845 B10R0.19 C#CCC(=O)C(C)CCCC 1458a_100011220946_200011215066 [0,1,0,0,0,0|1,0,2]=4 846 B10R0.19 C#CCC(=O)C(O)CCCC 1458a_100000720857_100000184674 [0,1,0,0,0,0|0,0,2]=3 847 B10R0.19 C#CCC(=O)C(O)CCSC 1458a_100000685904_100000184674 [0,1,0,0,0,0|0,0,2]=3 848 B10R0.19 C#CCCC(=O)C(C)CCC 1458a_100000210906_100000753159 [0,1,0,0,0,0|1,0,1]=3 849 B10R0.19 C#CCCC(=O)C(C)CCC 1458a_100000692101_100000766640 [0,1,0,0,0,0|1,0,1]=3 850 B10R0.19 C#CCCC(=O)C(C)CCO 1458a_100000692101_100009893172 [0,1,0,0,0,0|2,0,1]=4 851 B10R0.19 C#CCCC(=O)C(C)COC 1458a_100000692101_100000765312 [0,1,0,0,0,0|2,0,1]=4 852 B10R0.19 C#CCCC(=O)C(C)COC 1458a_100000751857_100000753159 [0,1,0,0,0,0|2,0,1]=4 853 B10R0.19 C#CCCC(=O)C(C)CSC 1458a_100000753918_100000753159 [0,1,0,0,0,0|2,0,1]=4 854 B10R0.19 C#CCCC(=O)C(C)OCC 1458a_100000739345_100000753159 [0,1,0,0,0,0|2,0,1]=4 855 B10R0.19 C#CCCC(=O)C(C)SCC 1458a_100000230601_100000753159 [0,1,0,0,0,0|2,0,1]=4 856 B10R0.19 C#CCCC(=O)N(C)CCC 11a_100000747261_100000692101 [0,1,0,0,0,0|2,0,1]=4 857 B10R0.19 C#CCCC(=O)N(C)CCC 1626a_100000747261_100000692101 [0,1,0,0,0,0|2,0,1]=4 858 B10R0.19 C#CCCC(=O)N(C)CCC 240690a_100000747261_100000692101 [0,1,0,0,0,0|2,0,1]=4 859 B10R0.19 C#CCCC(=O)N(C)CCC 527a_100000747261_100000692101 [0,1,0,0,0,0|2,0,1]=4 860 B10R0.19 C#CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000753159 [0,1,0,0,0,0|0,0,1]=2 861 B10R0.19 C#CCNC(=O)C(C)CCC 11a_100000212058_100000210906 [0,1,0,0,0,0|1,0,2]=4 862 B10R0.19 C#CCNC(=O)C(C)CCC 1626a_100000212058_100000210906 [0,1,0,0,0,0|1,0,2]=4 863 B10R0.19 C#CCNC(=O)C(C)CCC 240690a_100000212058_100000210906 [0,1,0,0,0,0|1,0,2]=4 864 B10R0.19 C#CCNC(=O)C(C)CCC 527a_100000212058_100000210906 [0,1,0,0,0,0|1,0,2]=4 865 B10R0.19 C#CCNC(=O)[C@@H](O)CCC 240690a_100000212058_100009822183 [0,1,0,0,0,0|0,0,2]=3 866 B10R0.19 C/C=C/CC(=O)C(C)CCC 1458a_100000210906_100102629194 [0,1,0,0,0,0|1,0,1]=3 867 B10R0.19 C/C=C/CC(=O)C(C)COC 1458a_100000751857_100102629194 [0,1,0,0,0,0|2,0,1]=4 868 B10R0.19 C/C=C/CC(=O)C(C)CSC 1458a_100000753918_100102629194 [0,1,0,0,0,0|2,0,1]=4 869 B10R0.19 C/C=C/CC(=O)C(C)OCC 1458a_100000739345_100102629194 [0,1,0,0,0,0|2,0,1]=4 870 B10R0.19 C/C=C/CC(=O)C(C)SCC 1458a_100000230601_100102629194 [0,1,0,0,0,0|2,0,1]=4 871 B10R0.19 C/C=C/CC(=O)[C@@H](O)CCC 1458a_100009822183_100102629194 [0,1,0,0,0,0|0,0,1]=2 872 B10R0.19 C=C(COCC)C(=O)OCC 34a_100121572206_100000755967 [0,1,0,0,0,0|2,0,1]=4 873 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000210202_100000755967 [0,1,0,0,0,0|2,0,1]=4 874 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000755967_100000210202 [0,1,0,0,0,0|2,0,1]=4 875 B10R0.19 C=CCC(=O)C(C)CCCC 1458a_100000210193_200011215066 [0,1,0,0,0,0|1,0,2]=4 876 B10R0.19 C=CCC(=O)C(C)CCCC 1458a_100000725509_100000210623 [0,1,0,0,0,0|1,0,2]=4 877 B10R0.19 C=CCC(=O)C(O)CCCC 1458a_100000720857_100000210623 [0,1,0,0,0,0|0,0,2]=3 878 B10R0.19 C=CCC(=O)C(O)CCSC 1458a_100000685904_100000210623 [0,1,0,0,0,0|0,0,2]=3 879 B10R0.19 C=CCC(C)C(=O)CCCC 1458a_100011216819_100000210211 [0,1,0,0,0,0|1,0,2]=4 880 B10R0.19 C=CCC(C)C(=O)CCCF 1458a_100011216819_100011934791 [0,1,0,0,0,0|1,0,2]=4 881 B10R0.19 C=CCC(C)C(=O)CCCO 1458a_100011216819_100011215043 [0,1,0,0,0,0|1,0,2]=4 882 B10R0.19 C=CCC(C)C(=O)CCOC 1458a_100011216819_100000233755 [0,1,0,0,0,0|1,0,2]=4 883 B10R0.19 C=CCC(C)C(=O)CCSC 1458a_100011216819_100000751147 [0,1,0,0,0,0|1,0,2]=4 884 B10R0.19 C=CCC(C)C(=O)NCCC 11a_100020643023_100011216819 [0,1,0,0,0,0|1,0,2]=4 885 B10R0.19 C=CCC(C)C(=O)NCCC 1626a_100020643023_100011216819 [0,1,0,0,0,0|1,0,2]=4 886 B10R0.19 C=CCC(C)C(=O)NCCC 240690a_100020643023_100011216819 [0,1,0,0,0,0|1,0,2]=4 887 B10R0.19 C=CCC(C)C(=O)NCCC 527a_100020643023_100011216819 [0,1,0,0,0,0|1,0,2]=4 888 B10R0.19 C=CCCC(=O)C(C)CCC 1458a_100000210906_100000754431 [0,1,0,0,0,0|1,0,1]=3 889 B10R0.19 C=CCCC(=O)C(C)CCC 1458a_100000749702_100000766640 [0,1,0,0,0,0|1,0,1]=3 890 B10R0.19 C=CCCC(=O)C(C)CCO 1458a_100000749702_100009893172 [0,1,0,0,0,0|2,0,1]=4 891 B10R0.19 C=CCCC(=O)C(C)COC 1458a_100000749702_100000765312 [0,1,0,0,0,0|2,0,1]=4 892 B10R0.19 C=CCCC(=O)C(C)COC 1458a_100000751857_100000754431 [0,1,0,0,0,0|2,0,1]=4 893 B10R0.19 C=CCCC(=O)C(C)CSC 1458a_100000753918_100000754431 [0,1,0,0,0,0|2,0,1]=4 894 B10R0.19 C=CCCC(=O)C(C)OCC 1458a_100000739345_100000754431 [0,1,0,0,0,0|2,0,1]=4 895 B10R0.19 C=CCCC(=O)C(C)SCC 1458a_100000230601_100000754431 [0,1,0,0,0,0|2,0,1]=4 896 B10R0.19 C=CCCC(=O)N(C)CCC 11a_100000747261_100000749702 [0,1,0,0,0,0|2,0,1]=4 897 B10R0.19 C=CCCC(=O)N(C)CCC 1626a_100000747261_100000749702 [0,1,0,0,0,0|2,0,1]=4 898 B10R0.19 C=CCCC(=O)N(C)CCC 240690a_100000747261_100000749702 [0,1,0,0,0,0|2,0,1]=4 899 B10R0.19 C=CCCC(=O)N(C)CCC 527a_100000747261_100000749702 [0,1,0,0,0,0|2,0,1]=4 900 B10R0.19 C=CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000754431 [0,1,0,0,0,0|0,0,1]=2 901 B10R0.19 C=CCCN(C)C(=O)CCC 11a_100020639649_100000211992 [0,1,0,0,0,0|2,0,1]=4 902 B10R0.19 C=CCCN(C)C(=O)CCC 1626a_100020639649_100000211992 [0,1,0,0,0,0|2,0,1]=4 903 B10R0.19 C=CCCN(C)C(=O)CCC 240690a_100020639649_100000211992 [0,1,0,0,0,0|2,0,1]=4 904 B10R0.19 C=CCCN(C)C(=O)CCC 527a_100020639649_100000211992 [0,1,0,0,0,0|2,0,1]=4 905 B10R0.19 C=CCNC(=O)C(C)CCC 1626a_100020586998_100000210906 [0,1,0,0,0,0|1,0,2]=4 906 B10R0.19 C=CCNC(=O)C(C)CCC 240690a_100020586998_100000210906 [0,1,0,0,0,0|1,0,2]=4 907 B10R0.19 C=CCNC(=O)C(C)CCC 527a_100020586998_100000210906 [0,1,0,0,0,0|1,0,2]=4 908 B10R0.19 C=CCNC(=O)[C@@H](O)CCC 240690a_100020586998_100009822183 [0,1,0,0,0,0|0,0,2]=3 909 B10R0.19 C=CCSC(C)C(=O)CCC 1458a_100000230602_100000210303 [0,1,0,0,0,0|1,0,2]=4 910 B10R0.19 CC#CC(=O)C(C)CCCC 1458a_100000763181_200011215066 [0,1,0,0,0,0|1,0,2]=4 911 B10R0.19 CC#CCC(=O)C(C)CCC 1458a_100000210906_100000748600 [0,1,0,0,0,0|1,0,1]=3 912 B10R0.19 CC#CCC(=O)C(C)COC 1458a_100000751857_100000748600 [0,1,0,0,0,0|2,0,1]=4 913 B10R0.19 CC#CCC(=O)C(C)CSC 1458a_100000753918_100000748600 [0,1,0,0,0,0|2,0,1]=4 914 B10R0.19 CC#CCC(=O)C(C)OCC 1458a_100000739345_100000748600 [0,1,0,0,0,0|2,0,1]=4 915 B10R0.19 CC#CCC(=O)C(C)SCC 1458a_100000230601_100000748600 [0,1,0,0,0,0|2,0,1]=4 916 B10R0.19 CC#CCC(=O)[C@@H](O)CCC 1458a_100009822183_100000748600 [0,1,0,0,0,0|0,0,1]=2 917 B10R0.19 CC(CCO)C(=O)CCC#N 1458a_100011934036_100009893172 [0,1,0,0,0,0|2,0,1]=4 918 B10R0.19 CC/C=C(\C)/C(=O)CCCC 1458a_100016988807_100000210211 [0,1,0,0,0,0|1,0,2]=4 919 B10R0.19 CC/C=C(\C)/C(=O)CCCF 1458a_100016988807_100011934791 [0,1,0,0,0,0|1,0,2]=4 920 B10R0.19 CC/C=C(\C)/C(=O)CCCO 1458a_100016988807_100011215043 [0,1,0,0,0,0|1,0,2]=4 921 B10R0.19 CC/C=C(\C)/C(=O)CCOC 1458a_100016988807_100000233755 [0,1,0,0,0,0|1,0,2]=4 922 B10R0.19 CC/C=C(\C)/C(=O)CCSC 1458a_100016988807_100000751147 [0,1,0,0,0,0|1,0,2]=4 923 B10R0.19 CC/C=C(\C)/C(=O)NCCC 11a_100020643023_100016988807 [0,1,0,0,0,0|1,0,2]=4 924 B10R0.19 CC/C=C(\C)/C(=O)NCCC 1626a_100020643023_100016988807 [0,1,0,0,0,0|1,0,2]=4 925 B10R0.19 CC/C=C(\C)/C(=O)NCCC 240690a_100020643023_100016988807 [0,1,0,0,0,0|1,0,2]=4 926 B10R0.19 CC/C=C(\C)/C(=O)NCCC 527a_100020643023_100016988807 [0,1,0,0,0,0|1,0,2]=4 927 B10R0.19 CC=CC(=O)C(C)CCCC 1458a_100000210699_200011215066 [0,1,0,0,0,0|1,0,2]=4 928 B10R0.19 CC=CCC(=O)C(C)CCC 1458a_100000210906_100000070051 [0,1,0,0,0,0|1,0,1]=3 929 B10R0.19 CC=CCC(=O)C(C)CCC 1458a_100121576822_100000766640 [0,1,0,0,0,0|1,0,1]=3 930 B10R0.19 CC=CCC(=O)C(C)CCO 1458a_100121576822_100009893172 [0,1,0,0,0,0|2,0,1]=4 931 B10R0.19 CC=CCC(=O)C(C)COC 1458a_100000751857_100000070051 [0,1,0,0,0,0|2,0,1]=4 932 B10R0.19 CC=CCC(=O)C(C)COC 1458a_100121576822_100000765312 [0,1,0,0,0,0|2,0,1]=4 933 B10R0.19 CC=CCC(=O)C(C)CSC 1458a_100000753918_100000070051 [0,1,0,0,0,0|2,0,1]=4 934 B10R0.19 CC=CCC(=O)C(C)OCC 1458a_100000739345_100000070051 [0,1,0,0,0,0|2,0,1]=4 935 B10R0.19 CC=CCC(=O)C(C)SCC 1458a_100000230601_100000070051 [0,1,0,0,0,0|2,0,1]=4 936 B10R0.19 CC=CCC(=O)N(C)CCC 11a_100000747261_100121576822 [0,1,0,0,0,0|2,0,1]=4 937 B10R0.19 CC=CCC(=O)N(C)CCC 1626a_100000747261_100121576822 [0,1,0,0,0,0|2,0,1]=4 938 B10R0.19 CC=CCC(=O)N(C)CCC 240690a_100000747261_100121576822 [0,1,0,0,0,0|2,0,1]=4 939 B10R0.19 CC=CCC(=O)N(C)CCC 527a_100000747261_100121576822 [0,1,0,0,0,0|2,0,1]=4 940 B10R0.19 CC=CCC(=O)[C@@H](O)CCC 1458a_100009822183_100000070051 [0,1,0,0,0,0|0,0,1]=2 941 B10R0.19 CCC#CC(=O)C(C)CCC 1458a_100011827653_100000766640 [0,1,0,0,0,0|1,0,1]=3 942 B10R0.19 CCC#CC(=O)C(C)CCO 1458a_100011827653_100009893172 [0,1,0,0,0,0|2,0,1]=4 943 B10R0.19 CCC#CC(=O)C(C)COC 1458a_100011827653_100000765312 [0,1,0,0,0,0|2,0,1]=4 944 B10R0.19 CCC/C=C(\C)/C(=O)CCC 1458a_200020648666_100000210303 [0,1,0,0,0,0|1,0,1]=3 945 B10R0.19 CCC/C=C(\C)/C(=O)CCF 1458a_200020648666_100011217306 [0,1,0,0,0,0|2,0,1]=4 946 B10R0.19 CCC/C=C(\C)/C(=O)CCO 1458a_200020648666_100000211926 [0,1,0,0,0,0|2,0,1]=4 947 B10R0.19 CCC/C=C(\C)/C(=O)NCC 11a_100015525214_200020648666 [0,1,0,0,0,0|2,0,1]=4 948 B10R0.19 CCC/C=C(\C)/C(=O)NCC 240690a_100015525214_200020648666 [0,1,0,0,0,0|2,0,1]=4 949 B10R0.19 CCC=CC(=O)C(C)CCC 1458a_100000212282_100000766640 [0,1,0,0,0,0|1,0,1]=3 950 B10R0.19 CCC=CC(=O)C(C)CCO 1458a_100000212282_100009893172 [0,1,0,0,0,0|2,0,1]=4 951 B10R0.19 CCC=CC(=O)C(C)COC 1458a_100000212282_100000765312 [0,1,0,0,0,0|2,0,1]=4 952 B10R0.19 CCC=CC(=O)N(C)CCC 11a_100000747261_100000212282 [0,1,0,0,0,0|2,0,1]=4 953 B10R0.19 CCC=CC(=O)N(C)CCC 1626a_100000747261_100000212282 [0,1,0,0,0,0|2,0,1]=4 954 B10R0.19 CCC=CC(=O)N(C)CCC 240690a_100000747261_100000212282 [0,1,0,0,0,0|2,0,1]=4 955 B10R0.19 CCCC(=O)C(O)CCSC 1458a_100000685904_100000210303 [0,1,0,0,0,0|0,0,0]=1 956 B10R0.19 CCCC(=O)N(C)CCC#N 11a_100000184479_100000211992 [0,1,0,0,0,0|2,0,1]=4 957 B10R0.19 CCCC(=O)N(C)CCC#N 1626a_100000184479_100000211992 [0,1,0,0,0,0|2,0,1]=4 958 B10R0.19 CCCC(=O)N(C)CCC#N 240690a_100000184479_100000211992 [0,1,0,0,0,0|2,0,1]=4 959 B10R0.19 CCCC(=O)N(C)CCC#N 527a_100000184479_100000211992 [0,1,0,0,0,0|2,0,1]=4 960 B10R0.19 CCCC(=O)N(C)CCCO 240690a_100000213112_100000211992 [0,1,0,0,0,0|2,0,0]=3 961 B10R0.19 CCCC(=O)N(C)CCCO 527a_100000213112_100000211992 [0,1,0,0,0,0|2,0,0]=3 962 B10R0.19 CCCC(=O)N(C)CCOC 11a_100000743101_100000211992 [0,1,0,0,0,0|2,0,0]=3 963 B10R0.19 CCCC(=O)N(C)CCOC 1626a_100000743101_100000211992 [0,1,0,0,0,0|2,0,0]=3 964 B10R0.19 CCCC(=O)N(C)CCOC 240690a_100000743101_100000211992 [0,1,0,0,0,0|2,0,0]=3 965 B10R0.19 CCCC(=O)N(C)CCOC 527a_100000743101_100000211992 [0,1,0,0,0,0|2,0,0]=3 966 B10R0.19 CCCC(=O)N(C)CCSC 11a_100000686725_100000211992 [0,1,0,0,0,0|2,0,0]=3 967 B10R0.19 CCCC(=O)N(C)CCSC 1626a_100000686725_100000211992 [0,1,0,0,0,0|2,0,0]=3 968 B10R0.19 CCCC(=O)N(C)CCSC 240690a_100000686725_100000211992 [0,1,0,0,0,0|2,0,0]=3 969 B10R0.19 CCCC(=O)N(C)CCSC 527a_100000686725_100000211992 [0,1,0,0,0,0|2,0,0]=3 970 B10R0.19 CCCC(C)C(=NNCC)C 4a_100000756455_100011216282 [0,1,0,0,0,0|3,0,0]=4 971 B10R0.19 CCCC(C)C(=O)C#CCO 1458a_100000049017_100000766640 [0,1,0,0,0,0|1,0,2]=4 972 B10R0.19 CCCC(C)C(=O)C=COC 1458a_100016268678_100000766640 [0,1,0,0,0,0|1,0,2]=4 973 B10R0.19 CCCC(C)C(=O)CCC#N 1458a_100000210906_100011215226 [0,1,0,0,0,0|1,0,1]=3 974 B10R0.19 CCCC(C)C(=O)CCC#N 1458a_100011934036_100000766640 [0,1,0,0,0,0|1,0,1]=3 975 B10R0.19 CCCC(C)C(=O)CCCF 1458a_100000210906_100011934791 [0,1,0,0,0,0|1,0,0]=2 976 B10R0.19 CCCC(C)C(=O)CCCO 1458a_100000210906_100011215043 [0,1,0,0,0,0|1,0,0]=2 977 B10R0.19 CCCC(C)C(=O)CCOC 1458a_100000210906_100000233755 [0,1,0,0,0,0|1,0,0]=2 978 B10R0.19 CCCC(C)C(=O)CCOC 1458a_100000749529_100000766640 [0,1,0,0,0,0|1,0,0]=2 979 B10R0.19 CCCC(C)C(=O)CCSC 1458a_100000174002_100000766640 [0,1,0,0,0,0|1,0,0]=2 980 B10R0.19 CCCC(C)C(=O)CCSC 1458a_100000210906_100000751147 [0,1,0,0,0,0|1,0,0]=2 981 B10R0.19 CCCC(C)C(=O)COCC 1458a_100000211967_100000766640 [0,1,0,0,0,0|1,0,0]=2 982 B10R0.19 CCCC(C)C(=O)CSCC 1458a_100000230394_100000766640 [0,1,0,0,0,0|1,0,0]=2 983 B10R0.19 CCCC(C)C(=O)NCC#N 1626a_100000734998_100000210906 [0,1,0,0,0,0|2,0,1]=4 984 B10R0.19 CCCC(C)C(=O)NCC#N 527a_100000734998_100000210906 [0,1,0,0,0,0|2,0,1]=4 985 B10R0.19 CCCC(C)C(=O)NCCF 11a_100000724931_100000210906 [0,1,0,0,0,0|2,0,0]=3 986 B10R0.19 CCCC(C)C(=O)NCCF 1626a_100000724931_100000210906 [0,1,0,0,0,0|2,0,0]=3 987 B10R0.19 CCCC(C)C(=O)NCCF 240690a_100000724931_100000210906 [0,1,0,0,0,0|2,0,0]=3 988 B10R0.19 CCCC(C)C(=O)NCCF 527a_100000724931_100000210906 [0,1,0,0,0,0|2,0,0]=3 989 B10R0.19 CCCC(C)C(=O)NCCO 240690a_100000210304_100000210906 [0,1,0,0,0,0|2,0,0]=3 990 B10R0.19 CCCC(C)C(=O)NCCO 527a_100000210304_100000210906 [0,1,0,0,0,0|2,0,0]=3 991 B10R0.19 CCCC(C)C(=O)NNCC 22a_100000756455_100000210906 [0,1,0,0,0,0|2,0,0]=3 992 B10R0.19 CCCC(C)N(C)CCCO 2230a_100000213112_100000766640 [0,1,0,0,0,0|3,0,0]=4 993 B10R0.19 CCCC(C)N(C)CCCO 269982a_100000213112_100000766640 [0,1,0,0,0,0|3,0,0]=4 994 B10R0.19 CCCC(C)N(C)CCCO 270004a_100000213112_100000211909 [0,1,0,0,0,0|3,0,0]=4 995 B10R0.19 CCCC(C)N(C)CCOC 2230a_100000743101_100000766640 [0,1,0,0,0,0|3,0,0]=4 996 B10R0.19 CCCC(C)N(C)CCOC 269982a_100000743101_100000766640 [0,1,0,0,0,0|3,0,0]=4 997 B10R0.19 CCCC(C)N(C)CCOC 270004a_100000743101_100000211909 [0,1,0,0,0,0|3,0,0]=4 998 B10R0.19 CCCC(C)N(C)CCSC 2230a_100000686725_100000766640 [0,1,0,0,0,0|3,0,0]=4 999 B10R0.19 CCCC(C)N(C)CCSC 269982a_100000686725_100000766640 [0,1,0,0,0,0|3,0,0]=4 1000 B10R0.19 CCCC(C)N(C)CCSC 270004a_100000686725_100000211909 [0,1,0,0,0,0|3,0,0]=4 1001 B10R0.19 CCCCC(=O)C(=O)NCC 1458a_200011297158_100000210211 [0,1,0,0,0,0|1,0,2]=4 1002 B10R0.19 CCCCC(=O)C(C)CC#N 1458a_100000210183_100009813641 [0,1,0,0,0,0|2,0,1]=4 1003 B10R0.19 CCCCC(=O)C(C)CCC 1458a_100000210183_100000766640 [0,1,0,0,0,0|1,0,0]=2 1004 B10R0.19 CCCCC(=O)C(C)CCC 1458a_100000210906_100000210211 [0,1,0,0,0,0|1,0,0]=2 1005 B10R0.19 CCCCC(=O)C(C)CCO 1458a_100000210183_100009893172 [0,1,0,0,0,0|2,0,0]=3 1006 B10R0.19 CCCCC(=O)C(C)COC 1458a_100000210183_100000765312 [0,1,0,0,0,0|2,0,0]=3 1007 B10R0.19 CCCCC(=O)C(C)COC 1458a_100000751857_100000210211 [0,1,0,0,0,0|2,0,0]=3 1008 B10R0.19 CCCCC(=O)C(C)CSC 1458a_100000753918_100000210211 [0,1,0,0,0,0|2,0,0]=3 1009 B10R0.19 CCCCC(=O)C(C)OCC 1458a_100000739345_100000210211 [0,1,0,0,0,0|2,0,0]=3 1010 B10R0.19 CCCCC(=O)C(C)SCC 1458a_100000230601_100000210211 [0,1,0,0,0,0|2,0,0]=3 1011 B10R0.19 CCCCC(=O)N(C)CCC 11a_100000747261_100000210183 [0,1,0,0,0,0|2,0,0]=3 1012 B10R0.19 CCCCC(=O)N(C)CCC 1626a_100000747261_100000210183 [0,1,0,0,0,0|2,0,0]=3 1013 B10R0.19 CCCCC(=O)N(C)CCC 240690a_100000747261_100000210183 [0,1,0,0,0,0|2,0,0]=3 1014 B10R0.19 CCCCC(=O)N(C)CCC 527a_100000747261_100000210183 [0,1,0,0,0,0|2,0,0]=3 1015 B10R0.19 CCCCC(=O)N(C)CCO 240690a_100000210263_100000210183 [0,1,0,0,0,0|3,0,0]=4 1016 B10R0.19 CCCCC(=O)N(C)CCO 527a_100000210263_100000210183 [0,1,0,0,0,0|3,0,0]=4 1017 B10R0.19 CCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210211 [0,1,0,0,0,0|0,0,0]=1 1018 B10R0.19 CCCCC(C)C(=O)CC#N 1458a_100000725509_100011214920 [0,1,0,0,0,0|2,0,1]=4 1019 B10R0.19 CCCCC(C)C(=O)CC#N 1458a_100051588842_200011215066 [0,1,0,0,0,0|2,0,1]=4 1020 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000211992_200011215066 [0,1,0,0,0,0|1,0,0]=2 1021 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000725509_100000210303 [0,1,0,0,0,0|1,0,0]=2 1022 B10R0.19 CCCCC(C)C(=O)CCF 1458a_100000725509_100011217306 [0,1,0,0,0,0|2,0,0]=3 1023 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100000725509_100000211926 [0,1,0,0,0,0|2,0,0]=3 1024 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100011216618_200011215066 [0,1,0,0,0,0|2,0,0]=3 1025 B10R0.19 CCCCC(C)C(=O)COC 1458a_100000210968_200011215066 [0,1,0,0,0,0|2,0,0]=3 1026 B10R0.19 CCCCC(C)C(=O)CSC 1458a_100000184570_200011215066 [0,1,0,0,0,0|2,0,0]=3 1027 B10R0.19 CCCCC(C)C(=O)NCC 11a_100015525214_100000725509 [0,1,0,0,0,0|2,0,0]=3 1028 B10R0.19 CCCCC(C)C(=O)NCC 240690a_100015525214_100000725509 [0,1,0,0,0,0|2,0,0]=3 1029 B10R0.19 CCCCC(C)C(=O)NCC 527a_100015525214_100000725509 [0,1,0,0,0,0|2,0,0]=3 1030 B10R0.19 CCCCC(C)C(=O)NNC 22a_100016993582_100000725509 [0,1,0,0,0,0|3,0,0]=4 1031 B10R0.19 CCCCC(C)N(C)CCC 2230a_100000747261_200011215066 [0,1,0,0,0,0|3,0,0]=4 1032 B10R0.19 CCCCC(C)N(C)CCC 269982a_100000747261_200011215066 [0,1,0,0,0,0|3,0,0]=4 1033 B10R0.19 CCCCC(C)N(C)CCC 270004a_100000747261_100000210087 [0,1,0,0,0,0|3,0,0]=4 1034 B10R0.19 CCCCC(O)C(=O)CC#N 1458a_100000720857_100011214920 [0,1,0,0,0,0|1,0,1]=3 1035 B10R0.19 CCCCC(O)C(=O)CCC 1458a_100000720857_100000210303 [0,1,0,0,0,0|0,0,0]=1 1036 B10R0.19 CCCCC(O)C(=O)CCF 1458a_100000720857_100011217306 [0,1,0,0,0,0|1,0,0]=2 1037 B10R0.19 CCCCC(O)C(=O)CCO 1458a_100000720857_100000211926 [0,1,0,0,0,0|1,0,0]=2 1038 B10R0.19 CCCCC(O)C(=O)NCC 240690a_100015525214_100000720857 [0,1,0,0,0,0|1,0,0]=2 1039 B10R0.19 CCCCC(O)C(=O)NCC 527a_100015525214_100000720857 [0,1,0,0,0,0|1,0,0]=2 1040 B10R0.19 CCCCC(O)C(=O)NNC 22a_100016993582_100000720857 [0,1,0,0,0,0|2,0,0]=3 1041 B10R0.19 CCCCN(C)C(=O)CCC 11a_100000207549_100000211992 [0,1,0,0,0,0|2,0,0]=3 1042 B10R0.19 CCCCN(C)C(=O)CCC 1626a_100000207549_100000211992 [0,1,0,0,0,0|2,0,0]=3 1043 B10R0.19 CCCCN(C)C(=O)CCC 240690a_100000207549_100000211992 [0,1,0,0,0,0|2,0,0]=3 1044 B10R0.19 CCCCN(C)C(=O)CCC 527a_100000207549_100000211992 [0,1,0,0,0,0|2,0,0]=3 1045 B10R0.19 CCCCN(C)C(=O)CCO 240690a_100000207549_100011216618 [0,1,0,0,0,0|3,0,0]=4 1046 B10R0.19 CCCCN(C)C(=O)CNC 2230a_106832991635_100000230175 [0,1,0,0,0,0|3,0,0]=4 1047 B10R0.19 CCCCN(C)C(=O)CNC 34a_100102657272_100000230175 [0,1,0,0,0,0|3,0,0]=4 1048 B10R0.19 CCCCN(C)C(=O)CNC 7a_106832991635_100000230175 [0,1,0,0,0,0|3,0,0]=4 1049 B10R0.19 CCCCN(C)C(=O)COC 11a_100000207549_100000210968 [0,1,0,0,0,0|3,0,0]=4 1050 B10R0.19 CCCCN(C)C(=O)COC 1626a_100000207549_100000210968 [0,1,0,0,0,0|3,0,0]=4 1051 B10R0.19 CCCCN(C)C(=O)COC 240690a_100000207549_100000210968 [0,1,0,0,0,0|3,0,0]=4 1052 B10R0.19 CCCCN(C)C(=O)COC 34a_100138415774_100000230175 [0,1,0,0,0,0|3,0,0]=4 1053 B10R0.19 CCCCN(C)C(=O)COC 527a_100000207549_100000210968 [0,1,0,0,0,0|3,0,0]=4 1054 B10R0.19 CCCCN(C)C(=O)CSC 11a_100000207549_100000184570 [0,1,0,0,0,0|3,0,0]=4 1055 B10R0.19 CCCCN(C)C(=O)CSC 1626a_100000207549_100000184570 [0,1,0,0,0,0|3,0,0]=4 1056 B10R0.19 CCCCN(C)C(=O)CSC 240690a_100000207549_100000184570 [0,1,0,0,0,0|3,0,0]=4 1057 B10R0.19 CCCCN(C)C(=O)CSC 527a_100000207549_100000184570 [0,1,0,0,0,0|3,0,0]=4 1058 B10R0.19 CCCCN(C)C(=O)CSC 62a_100000230175_200000210301 [0,1,0,0,0,0|3,0,0]=4 1059 B10R0.19 CCCCN(C)C(=O)CSC 62a_200000210301_100000230175 [0,1,0,0,0,0|3,0,0]=4 1060 B10R0.19 CCCCN(C)C(=O)CS[13CH3] 62a_100000230175_200025704644 [0,1,0,0,0,0|3,0,0]=4 1061 B10R0.19 CCCCN(C)C(=O)CS[13CH3] 62a_200025704644_100000230175 [0,1,0,0,0,0|3,0,0]=4 1062 B10R0.19 CCCCN(C)C(=O)NCC 2708a_100015525214_100000207549 [0,1,0,0,0,0|3,0,0]=4 1063 B10R0.19 CCCCN(C)C(=O)NCC 273464a_100015525214_100000207549 [0,1,0,0,0,0|3,0,0]=4 1064 B10R0.19 CCCCN(C)C(C)CCC 2230a_100000207549_100000766640 [0,1,0,0,0,0|3,0,0]=4 1065 B10R0.19 CCCCN(C)C(C)CCC 269982a_100000207549_100000766640 [0,1,0,0,0,0|3,0,0]=4 1066 B10R0.19 CCCCN(C)C(C)CCC 270004a_100000207549_100000211909 [0,1,0,0,0,0|3,0,0]=4 1067 B10R0.19 CCCN(C)C(=O)CCC#N 11a_100000747261_100011934036 [0,1,0,0,0,0|2,0,1]=4 1068 B10R0.19 CCCN(C)C(=O)CCC#N 1626a_100000747261_100011934036 [0,1,0,0,0,0|2,0,1]=4 1069 B10R0.19 CCCN(C)C(=O)CCC#N 240690a_100000747261_100011934036 [0,1,0,0,0,0|2,0,1]=4 1070 B10R0.19 CCCN(C)C(=O)CCC#N 527a_100000747261_100011934036 [0,1,0,0,0,0|2,0,1]=4 1071 B10R0.19 CCCN(C)C(=O)CCOC 11a_100000747261_100000749529 [0,1,0,0,0,0|2,0,0]=3 1072 B10R0.19 CCCN(C)C(=O)CCOC 1626a_100000747261_100000749529 [0,1,0,0,0,0|2,0,0]=3 1073 B10R0.19 CCCN(C)C(=O)CCOC 240690a_100000747261_100000749529 [0,1,0,0,0,0|2,0,0]=3 1074 B10R0.19 CCCN(C)C(=O)CCOC 527a_100000747261_100000749529 [0,1,0,0,0,0|2,0,0]=3 1075 B10R0.19 CCCN(C)C(=O)CCSC 11a_100000747261_100000174002 [0,1,0,0,0,0|2,0,0]=3 1076 B10R0.19 CCCN(C)C(=O)CCSC 1626a_100000747261_100000174002 [0,1,0,0,0,0|2,0,0]=3 1077 B10R0.19 CCCN(C)C(=O)CCSC 240690a_100000747261_100000174002 [0,1,0,0,0,0|2,0,0]=3 1078 B10R0.19 CCCN(C)C(=O)CCSC 527a_100000747261_100000174002 [0,1,0,0,0,0|2,0,0]=3 1079 B10R0.19 CCCN(C)C(=O)COCC 11a_100000747261_100000211967 [0,1,0,0,0,0|2,0,0]=3 1080 B10R0.19 CCCN(C)C(=O)COCC 1626a_100000747261_100000211967 [0,1,0,0,0,0|2,0,0]=3 1081 B10R0.19 CCCN(C)C(=O)COCC 240690a_100000747261_100000211967 [0,1,0,0,0,0|2,0,0]=3 1082 B10R0.19 CCCN(C)C(=O)COCC 527a_100000747261_100000211967 [0,1,0,0,0,0|2,0,0]=3 1083 B10R0.19 CCCN(C)C(=O)CSCC 11a_100000747261_100000230394 [0,1,0,0,0,0|2,0,0]=3 1084 B10R0.19 CCCN(C)C(=O)CSCC 1626a_100000747261_100000230394 [0,1,0,0,0,0|2,0,0]=3 1085 B10R0.19 CCCN(C)C(=O)CSCC 240690a_100000747261_100000230394 [0,1,0,0,0,0|2,0,0]=3 1086 B10R0.19 CCCN(C)C(=O)CSCC 527a_100000747261_100000230394 [0,1,0,0,0,0|2,0,0]=3 1087 B10R0.19 CCCN(C)C(=O)NCCF 273464a_100000724931_100000747261 [0,1,0,0,0,0|3,0,0]=4 1088 B10R0.19 CCCN(C)C(=O)NCCO 273464a_100000210304_100000747261 [0,1,0,0,0,0|3,0,0]=4 1089 B10R0.19 CCCN(C)C(C)CCOC 270004a_100000747261_100000742357 [0,1,0,0,0,0|3,0,0]=4 1090 B10R0.19 CCCN(C)C(C)CCSC 270004a_100000747261_100011217047 [0,1,0,0,0,0|3,0,0]=4 1091 B10R0.19 CCCN(C)C(C)CSCC 270004a_100000747261_200011216171 [0,1,0,0,0,0|3,0,0]=4 1092 B10R0.19 CCCNC(=O)C(=O)CCC 1458a_200011297150_100000210303 [0,1,0,0,0,0|0,0,2]=3 1093 B10R0.19 CCCNC(=O)C(=O)CCF 1458a_200011297150_100011217306 [0,1,0,0,0,0|1,0,2]=4 1094 B10R0.19 CCCNC(=O)C(=O)CCO 1458a_200011297150_100000211926 [0,1,0,0,0,0|1,0,2]=4 1095 B10R0.19 CCCNC(=O)C(=O)NCC 1626a_100020643023_200011297158 [0,1,0,0,0,0|1,0,2]=4 1096 B10R0.19 CCCNC(=O)C(=O)NCC 240690a_100015525214_200011297150 [0,1,0,0,0,0|1,0,2]=4 1097 B10R0.19 CCCNC(=O)C(=O)NCC 240690a_100020643023_200011297158 [0,1,0,0,0,0|1,0,2]=4 1098 B10R0.19 CCCNC(=O)C(=O)NCC 527a_100015525214_200011297150 [0,1,0,0,0,0|1,0,2]=4 1099 B10R0.19 CCCNC(=O)C(=O)NCC 527a_100020643023_200011297158 [0,1,0,0,0,0|1,0,2]=4 1100 B10R0.19 CCCNC(=O)C(=O)OCC 11a_100020643023_100014798877 [0,1,0,0,0,0|1,0,2]=4 1101 B10R0.19 CCCNC(=O)C(=O)OCC 1626a_100020643023_100014798877 [0,1,0,0,0,0|1,0,2]=4 1102 B10R0.19 CCCNC(=O)C(=O)OCC 240690a_100020643023_100014798877 [0,1,0,0,0,0|1,0,2]=4 1103 B10R0.19 CCCNC(=O)C(C)CCC 11a_100020643023_100000210906 [0,1,0,0,0,0|1,0,0]=2 1104 B10R0.19 CCCNC(=O)C(C)CCC 1626a_100020643023_100000210906 [0,1,0,0,0,0|1,0,0]=2 1105 B10R0.19 CCCNC(=O)C(C)CCC 240690a_100020643023_100000210906 [0,1,0,0,0,0|1,0,0]=2 1106 B10R0.19 CCCNC(=O)C(C)CCC 527a_100020643023_100000210906 [0,1,0,0,0,0|1,0,0]=2 1107 B10R0.19 CCCNC(=O)C(C)COC 11a_100020643023_100000751857 [0,1,0,0,0,0|2,0,0]=3 1108 B10R0.19 CCCNC(=O)C(C)COC 1626a_100020643023_100000751857 [0,1,0,0,0,0|2,0,0]=3 1109 B10R0.19 CCCNC(=O)C(C)COC 240690a_100020643023_100000751857 [0,1,0,0,0,0|2,0,0]=3 1110 B10R0.19 CCCNC(=O)C(C)COC 527a_100020643023_100000751857 [0,1,0,0,0,0|2,0,0]=3 1111 B10R0.19 CCCNC(=O)C(C)CSC 11a_100020643023_100000753918 [0,1,0,0,0,0|2,0,0]=3 1112 B10R0.19 CCCNC(=O)C(C)CSC 1626a_100020643023_100000753918 [0,1,0,0,0,0|2,0,0]=3 1113 B10R0.19 CCCNC(=O)C(C)CSC 240690a_100020643023_100000753918 [0,1,0,0,0,0|2,0,0]=3 1114 B10R0.19 CCCNC(=O)C(C)CSC 527a_100020643023_100000753918 [0,1,0,0,0,0|2,0,0]=3 1115 B10R0.19 CCCNC(=O)C(C)NCC 2230a_100015525214_100000230305 [0,1,0,0,0,0|2,0,0]=3 1116 B10R0.19 CCCNC(=O)C(C)NCC 2230a_100025744714_100000210202 [0,1,0,0,0,0|2,0,0]=3 1117 B10R0.19 CCCNC(=O)C(C)NCC 34a_100025744714_100000210202 [0,1,0,0,0,0|2,0,0]=3 1118 B10R0.19 CCCNC(=O)C(C)NCF 34a_100025744714_100015361967 [0,1,0,0,0,0|3,0,0]=4 1119 B10R0.19 CCCNC(=O)C(C)OCC 11a_100020643023_100000739345 [0,1,0,0,0,0|2,0,0]=3 1120 B10R0.19 CCCNC(=O)C(C)OCC 1626a_100020643023_100000739345 [0,1,0,0,0,0|2,0,0]=3 1121 B10R0.19 CCCNC(=O)C(C)OCC 240690a_100020643023_100000739345 [0,1,0,0,0,0|2,0,0]=3 1122 B10R0.19 CCCNC(=O)C(C)OCC 34a_100121572206_100000230305 [0,1,0,0,0,0|2,0,0]=3 1123 B10R0.19 CCCNC(=O)C(C)OCC 527a_100020643023_100000739345 [0,1,0,0,0,0|2,0,0]=3 1124 B10R0.19 CCCNC(=O)C(C)SCC 11a_100020643023_100000230601 [0,1,0,0,0,0|2,0,0]=3 1125 B10R0.19 CCCNC(=O)C(C)SCC 1626a_100020643023_100000230601 [0,1,0,0,0,0|2,0,0]=3 1126 B10R0.19 CCCNC(=O)C(C)SCC 240690a_100020643023_100000230601 [0,1,0,0,0,0|2,0,0]=3 1127 B10R0.19 CCCNC(=O)C(C)SCC 527a_100020643023_100000230601 [0,1,0,0,0,0|2,0,0]=3 1128 B10R0.19 CCCNC(=O)C(C)SCC 62a_100000210202_100000230305 [0,1,0,0,0,0|2,0,0]=3 1129 B10R0.19 CCCNC(=O)C(C)SCC 62a_100000230305_100000210202 [0,1,0,0,0,0|2,0,0]=3 1130 B10R0.19 CCCNC(=O)C(C)SCF 62a_100000230305_100015361967 [0,1,0,0,0,0|3,0,0]=4 1131 B10R0.19 CCCNC(=O)C(C)SCF 62a_100015361967_100000230305 [0,1,0,0,0,0|3,0,0]=4 1132 B10R0.19 CCCNC(=O)N(C)CCC 2708a_100020643023_100000747261 [0,1,0,0,0,0|2,0,0]=3 1133 B10R0.19 CCCNC(=O)N(C)CCC 273464a_100020643023_100000747261 [0,1,0,0,0,0|2,0,0]=3 1134 B10R0.19 CCCNC(=O)N(C)CCO 2708a_100020643023_100000210263 [0,1,0,0,0,0|3,0,0]=4 1135 B10R0.19 CCCNC(=O)N(C)CCO 273464a_100020643023_100000210263 [0,1,0,0,0,0|3,0,0]=4 1136 B10R0.19 CCCNC(=O)[C@@H](O)CCC 240690a_100020643023_100009822183 [0,1,0,0,0,0|0,0,0]=1 1137 B10R0.19 CCCNC(C)C(=O)NCC 2230a_100000736553_100000210303 [0,1,0,0,0,0|2,0,0]=3 1138 B10R0.19 CCCNC(C)C(=O)NCC 34a_100000736553_100000210303 [0,1,0,0,0,0|2,0,0]=3 1139 B10R0.19 CCCNC(C)C(C)CCC 270004a_100020643023_100011216282 [0,1,0,0,0,0|2,0,1]=4 1140 B10R0.19 CCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210303 [0,1,0,0,0,0|2,0,0]=3 1141 B10R0.19 CCCOC(=O)C(C)NCC 2230a_100015525214_100000760410 [0,1,0,0,0,0|2,0,0]=3 1142 B10R0.19 CCCOC(=O)C(C)OCC 34a_100000037348_100000210202 [0,1,0,0,0,0|2,0,0]=3 1143 B10R0.19 CCCOC(=O)C(C)OCC 34a_100121572206_100000760410 [0,1,0,0,0,0|2,0,0]=3 1144 B10R0.19 CCCOC(=O)C(C)OCC 7a_100000037348_100000210202 [0,1,0,0,0,0|2,0,0]=3 1145 B10R0.19 CCCOC(=O)C(C)OCF 34a_100000037348_100015361967 [0,1,0,0,0,0|3,0,0]=4 1146 B10R0.19 CCCOC(=O)C(C)OCF 7a_100000037348_100015361967 [0,1,0,0,0,0|3,0,0]=4 1147 B10R0.19 CCCOC(=O)C(C)SCC 62a_100000210202_100000760410 [0,1,0,0,0,0|2,0,0]=3 1148 B10R0.19 CCCOC(=O)C(C)SCC 62a_100000760410_100000210202 [0,1,0,0,0,0|2,0,0]=3 1149 B10R0.19 CCCOC(=O)C(C)SCF 62a_100000760410_100015361967 [0,1,0,0,0,0|3,0,0]=4 1150 B10R0.19 CCCOC(=O)C(C)SCF 62a_100015361967_100000760410 [0,1,0,0,0,0|3,0,0]=4 1151 B10R0.19 CCCOC(C)C(=O)NCC 34a_100000210258_100000230173 [0,1,0,0,0,0|2,0,0]=3 1152 B10R0.19 CCCOC(C)C(=O)OCC 34a_100000210258_100011216346 [0,1,0,0,0,0|2,0,0]=3 1153 B10R0.19 CCCOC(C)C(C)CCC 34a_100000708338_100000210303 [0,1,0,0,0,0|2,0,1]=4 1154 B10R0.19 CCCOC(C)C(C)CCC 7a_100000708338_100000210303 [0,1,0,0,0,0|2,0,1]=4 1155 B10R0.19 CCCOC(F)C(=O)OCC 34a_100000210258_100000760018 [0,1,0,0,0,0|2,0,0]=3 1156 B10R0.19 CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210303 [0,1,0,0,0,0|2,0,0]=3 1157 B10R0.19 CCCSC(C)C(=O)NCC 62a_100000210303_100000230173 [0,1,0,0,0,0|2,0,0]=3 1158 B10R0.19 CCCSC(C)C(=O)NCC 62a_100000230173_100000210303 [0,1,0,0,0,0|2,0,0]=3 1159 B10R0.19 CCCSC(C)C(=O)OCC 62a_100000210303_100011216346 [0,1,0,0,0,0|2,0,0]=3 1160 B10R0.19 CCCSC(C)C(=O)OCC 62a_100011216346_100000210303 [0,1,0,0,0,0|2,0,0]=3 1161 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000210303_100000760018 [0,1,0,0,0,0|2,0,0]=3 1162 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000760018_100000210303 [0,1,0,0,0,0|2,0,0]=3 1163 B10R0.19 CCC[C@H](O)C(=O)CCC#N 1458a_100009822183_100011215226 [0,1,0,0,0,0|0,0,1]=2 1164 B10R0.19 CCC[C@H](O)C(=O)CCCF 1458a_100009822183_100011934791 [0,1,0,0,0,0|0,0,0]=1 1165 B10R0.19 CCC[C@H](O)C(=O)CCCO 1458a_100009822183_100011215043 [0,1,0,0,0,0|0,0,0]=1 1166 B10R0.19 CCC[C@H](O)C(=O)CCOC 1458a_100009822183_100000233755 [0,1,0,0,0,0|0,0,0]=1 1167 B10R0.19 CCC[C@H](O)C(=O)CCSC 1458a_100009822183_100000751147 [0,1,0,0,0,0|0,0,0]=1 1168 B10R0.19 CCC[C@H](O)C(=O)NCCF 240690a_100000724931_100009822183 [0,1,0,0,0,0|1,0,0]=2 1169 B10R0.19 CCC[C@H](O)C(=O)NCCO 240690a_100000210304_100009822183 [0,1,0,0,0,0|1,0,0]=2 1170 B10R0.19 CCC[C@H](O)C(=O)NNCC 22a_100000756455_100009822183 [0,1,0,0,0,0|1,0,0]=2 1171 B10R0.19 CCNC(=O)C(=O)CCCF 1458a_200011297158_100011934791 [0,1,0,0,0,0|1,0,2]=4 1172 B10R0.19 CCNC(=O)C(=O)CCCO 1458a_200011297158_100011215043 [0,1,0,0,0,0|1,0,2]=4 1173 B10R0.19 CCNC(=O)C(=O)CCOC 1458a_200011297158_100000233755 [0,1,0,0,0,0|1,0,2]=4 1174 B10R0.19 CCNC(=O)C(=O)CCSC 1458a_200011297158_100000751147 [0,1,0,0,0,0|1,0,2]=4 1175 B10R0.19 CCNC(=O)C(C)NCCF 2230a_100000736553_100011217306 [0,1,0,0,0,0|3,0,0]=4 1176 B10R0.19 CCNC(=O)C(C)NCCF 34a_100000724931_100000230173 [0,1,0,0,0,0|3,0,0]=4 1177 B10R0.19 CCNC(=O)C(C)NCCF 34a_100000736553_100011217306 [0,1,0,0,0,0|3,0,0]=4 1178 B10R0.19 CCNC(=O)C(C)NCCO 2230a_100000736553_100000211926 [0,1,0,0,0,0|3,0,0]=4 1179 B10R0.19 CCNC(=O)C(C)NCCO 2230a_100016997473_100000230173 [0,1,0,0,0,0|3,0,0]=4 1180 B10R0.19 CCNC(=O)C(C)NCCO 34a_100000736553_100000211926 [0,1,0,0,0,0|3,0,0]=4 1181 B10R0.19 CCNC(=O)C(C)NCCO 34a_100016990907_100000230173 [0,1,0,0,0,0|3,0,0]=4 1182 B10R0.19 CCNC(=O)C(C)NCOC 2230a_100000736553_100000766300 [0,1,0,0,0,0|3,0,0]=4 1183 B10R0.19 CCNC(=O)C(C)NCSC 2230a_100000736553_100011218213 [0,1,0,0,0,0|3,0,0]=4 1184 B10R0.19 CCNC(=O)C(C)NCSC 34a_100000736553_100011218213 [0,1,0,0,0,0|3,0,0]=4 1185 B10R0.19 CCNC(=O)C(C)OCCBr 34a_100000211926_100000230173 [0,1,0,0,0,0|3,0,0]=4 1186 B10R0.19 CCNC(=O)C(C)OCCN 34a_100000210304_100000230173 [0,1,0,0,0,0|3,0,0]=4 1187 B10R0.19 CCNC(=O)C(C)SCCF 62a_100000230173_100011217306 [0,1,0,0,0,0|3,0,0]=4 1188 B10R0.19 CCNC(=O)C(C)SCCF 62a_100011217306_100000230173 [0,1,0,0,0,0|3,0,0]=4 1189 B10R0.19 CCNC(=O)C(C)SCCO 62a_100000211926_100000230173 [0,1,0,0,0,0|3,0,0]=4 1190 B10R0.19 CCNC(=O)C(C)SCCO 62a_100000230173_100000211926 [0,1,0,0,0,0|3,0,0]=4 1191 B10R0.19 CCNC(=O)C(C)SCOC 62a_100000230173_100000766300 [0,1,0,0,0,0|3,0,0]=4 1192 B10R0.19 CCNC(=O)C(C)SCOC 62a_100000766300_100000230173 [0,1,0,0,0,0|3,0,0]=4 1193 B10R0.19 CCNC(=O)C(C)SCSC 62a_100000230173_100011218213 [0,1,0,0,0,0|3,0,0]=4 1194 B10R0.19 CCNC(=O)C(C)SCSC 62a_100011218213_100000230173 [0,1,0,0,0,0|3,0,0]=4 1195 B10R0.19 CCNC(=O)C(O)CCSC 240690a_100015525214_100000685904 [0,1,0,0,0,0|1,0,0]=2 1196 B10R0.19 CCNC(=O)N(C)CCCO 2708a_100015525214_100000213112 [0,1,0,0,0,0|3,0,0]=4 1197 B10R0.19 CCNC(=O)N(C)CCCO 273464a_100015525214_100000213112 [0,1,0,0,0,0|3,0,0]=4 1198 B10R0.19 CCNC(=O)N(C)CCOC 2708a_100015525214_100000743101 [0,1,0,0,0,0|3,0,0]=4 1199 B10R0.19 CCNC(=O)N(C)CCOC 273464a_100015525214_100000743101 [0,1,0,0,0,0|3,0,0]=4 1200 B10R0.19 CCNC(=O)N(C)CCSC 2708a_100015525214_100000686725 [0,1,0,0,0,0|3,0,0]=4 1201 B10R0.19 CCNC(=O)N(C)CCSC 273464a_100015525214_100000686725 [0,1,0,0,0,0|3,0,0]=4 1202 B10R0.19 CCNNC(=O)C(C)COC 22a_100000756455_100000751857 [0,1,0,0,0,0|3,0,0]=4 1203 B10R0.19 CCNNC(=O)C(C)CSC 22a_100000756455_100000753918 [0,1,0,0,0,0|3,0,0]=4 1204 B10R0.19 CCNNC(=O)C(C)OCC 22a_100000756455_100000739345 [0,1,0,0,0,0|3,0,0]=4 1205 B10R0.19 CCNNC(=O)C(C)SCC 22a_100000756455_100000230601 [0,1,0,0,0,0|3,0,0]=4 1206 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000210202_100000211299 [0,1,0,0,0,0|1,0,2]=4 1207 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000211299_100000210202 [0,1,0,0,0,0|1,0,2]=4 1208 B10R0.19 CCOC(=O)C(C)NCCF 34a_100000724931_100011216346 [0,1,0,0,0,0|3,0,0]=4 1209 B10R0.19 CCOC(=O)C(C)NCCO 2230a_100016997473_100011215307 [0,1,0,0,0,0|3,0,0]=4 1210 B10R0.19 CCOC(=O)C(C)NCCO 34a_100016990907_100011216346 [0,1,0,0,0,0|3,0,0]=4 1211 B10R0.19 CCOC(=O)C(C)OCCBr 34a_100000211926_100011216346 [0,1,0,0,0,0|3,0,0]=4 1212 B10R0.19 CCOC(=O)C(C)OCCN 34a_100000210304_100011216346 [0,1,0,0,0,0|3,0,0]=4 1213 B10R0.19 CCOC(=O)C(C)SCCF 62a_100011216346_100011217306 [0,1,0,0,0,0|3,0,0]=4 1214 B10R0.19 CCOC(=O)C(C)SCCF 62a_100011217306_100011216346 [0,1,0,0,0,0|3,0,0]=4 1215 B10R0.19 CCOC(=O)C(C)SCCO 62a_100000211926_100011216346 [0,1,0,0,0,0|3,0,0]=4 1216 B10R0.19 CCOC(=O)C(C)SCCO 62a_100011216346_100000211926 [0,1,0,0,0,0|3,0,0]=4 1217 B10R0.19 CCOC(=O)C(C)SCOC 62a_100000766300_100011216346 [0,1,0,0,0,0|3,0,0]=4 1218 B10R0.19 CCOC(=O)C(C)SCOC 62a_100011216346_100000766300 [0,1,0,0,0,0|3,0,0]=4 1219 B10R0.19 CCOC(=O)C(C)SCSC 62a_100011216346_100011218213 [0,1,0,0,0,0|3,0,0]=4 1220 B10R0.19 CCOC(=O)C(C)SCSC 62a_100011218213_100011216346 [0,1,0,0,0,0|3,0,0]=4 1221 B10R0.19 CCOC(=O)C(F)NCCF 34a_100000724931_100000760018 [0,1,0,0,0,0|3,0,0]=4 1222 B10R0.19 CCOC(=O)C(F)NCCO 2230a_100016997473_100000760018 [0,1,0,0,0,0|3,0,0]=4 1223 B10R0.19 CCOC(=O)C(F)NCCO 34a_100016990907_100000760018 [0,1,0,0,0,0|3,0,0]=4 1224 B10R0.19 CCOC(=O)C(F)OCCBr 34a_100000211926_100000760018 [0,1,0,0,0,0|3,0,0]=4 1225 B10R0.19 CCOC(=O)C(F)OCCN 34a_100000210304_100000760018 [0,1,0,0,0,0|3,0,0]=4 1226 B10R0.19 CCOC(=O)C(F)SCCF 62a_100000760018_100011217306 [0,1,0,0,0,0|3,0,0]=4 1227 B10R0.19 CCOC(=O)C(F)SCCF 62a_100011217306_100000760018 [0,1,0,0,0,0|3,0,0]=4 1228 B10R0.19 CCOC(=O)C(F)SCCO 62a_100000211926_100000760018 [0,1,0,0,0,0|3,0,0]=4 1229 B10R0.19 CCOC(=O)C(F)SCCO 62a_100000760018_100000211926 [0,1,0,0,0,0|3,0,0]=4 1230 B10R0.19 CCOC(=O)C(F)SCOC 62a_100000760018_100000766300 [0,1,0,0,0,0|3,0,0]=4 1231 B10R0.19 CCOC(=O)C(F)SCOC 62a_100000766300_100000760018 [0,1,0,0,0,0|3,0,0]=4 1232 B10R0.19 CCOC(=O)C(F)SCSC 62a_100000760018_100011218213 [0,1,0,0,0,0|3,0,0]=4 1233 B10R0.19 CCOC(=O)C(F)SCSC 62a_100011218213_100000760018 [0,1,0,0,0,0|3,0,0]=4 1234 B10R0.19 CCOC(=O)[C@H](C)OCCF 7a_100000751109_100011217306 [0,1,0,0,0,0|3,0,0]=4 1235 B10R0.19 CCOC(=O)[C@H](C)OCCO 7a_100000751109_100000211926 [0,1,0,0,0,0|3,0,0]=4 1236 B10R0.19 CCOC(C)C(=O)CCC#N 1458a_100000739345_100011215226 [0,1,0,0,0,0|2,0,1]=4 1237 B10R0.19 CCOC(C)C(=O)CCCF 1458a_100000739345_100011934791 [0,1,0,0,0,0|2,0,0]=3 1238 B10R0.19 CCOC(C)C(=O)CCCO 1458a_100000739345_100011215043 [0,1,0,0,0,0|2,0,0]=3 1239 B10R0.19 CCOC(C)C(=O)CCOC 1458a_100000739345_100000233755 [0,1,0,0,0,0|2,0,0]=3 1240 B10R0.19 CCOC(C)C(=O)CCSC 1458a_100000739345_100000751147 [0,1,0,0,0,0|2,0,0]=3 1241 B10R0.19 CCOC(C)C(=O)NCCF 11a_100000724931_100000739345 [0,1,0,0,0,0|3,0,0]=4 1242 B10R0.19 CCOC(C)C(=O)NCCF 1626a_100000724931_100000739345 [0,1,0,0,0,0|3,0,0]=4 1243 B10R0.19 CCOC(C)C(=O)NCCF 240690a_100000724931_100000739345 [0,1,0,0,0,0|3,0,0]=4 1244 B10R0.19 CCOC(C)C(=O)NCCF 527a_100000724931_100000739345 [0,1,0,0,0,0|3,0,0]=4 1245 B10R0.19 CCOC(C)C(=O)NCCO 240690a_100000210304_100000739345 [0,1,0,0,0,0|3,0,0]=4 1246 B10R0.19 CCOC(C)C(=O)NCCO 527a_100000210304_100000739345 [0,1,0,0,0,0|3,0,0]=4 1247 B10R0.19 CCOCC(=O)C(C)CC#N 1458a_100000211967_100009813641 [0,1,0,0,0,0|2,0,1]=4 1248 B10R0.19 CCOCC(=O)C(C)CCO 1458a_100000211967_100009893172 [0,1,0,0,0,0|2,0,0]=3 1249 B10R0.19 CCOCC(=O)C(C)COC 1458a_100000211967_100000765312 [0,1,0,0,0,0|2,0,0]=3 1250 B10R0.19 CCOCC(=O)N(C)CCO 240690a_100000210263_100000211967 [0,1,0,0,0,0|3,0,0]=4 1251 B10R0.19 CCOCC(=O)N(C)CCO 527a_100000210263_100000211967 [0,1,0,0,0,0|3,0,0]=4 1252 B10R0.19 CCSC(=O)[C@H](C)NCCF 2230a_100103168634_100011217306 [0,1,0,0,0,0|3,0,0]=4 1253 B10R0.19 CCSC(=O)[C@H](C)NCCO 2230a_100103168634_100000211926 [0,1,0,0,0,0|3,0,0]=4 1254 B10R0.19 CCSC(=O)[C@H](C)NCOC 2230a_100103168634_100000766300 [0,1,0,0,0,0|3,0,0]=4 1255 B10R0.19 CCSC(=O)[C@H](C)NCSC 2230a_100103168634_100011218213 [0,1,0,0,0,0|3,0,0]=4 1256 B10R0.19 CCSC(C)C(=O)CCC#N 1458a_100000230601_100011215226 [0,1,0,0,0,0|2,0,1]=4 1257 B10R0.19 CCSC(C)C(=O)CCCF 1458a_100000230601_100011934791 [0,1,0,0,0,0|2,0,0]=3 1258 B10R0.19 CCSC(C)C(=O)CCCO 1458a_100000230601_100011215043 [0,1,0,0,0,0|2,0,0]=3 1259 B10R0.19 CCSC(C)C(=O)CCOC 1458a_100000230601_100000233755 [0,1,0,0,0,0|2,0,0]=3 1260 B10R0.19 CCSC(C)C(=O)CCSC 1458a_100000230601_100000751147 [0,1,0,0,0,0|2,0,0]=3 1261 B10R0.19 CCSC(C)C(=O)NCCF 11a_100000724931_100000230601 [0,1,0,0,0,0|3,0,0]=4 1262 B10R0.19 CCSC(C)C(=O)NCCF 1626a_100000724931_100000230601 [0,1,0,0,0,0|3,0,0]=4 1263 B10R0.19 CCSC(C)C(=O)NCCF 240690a_100000724931_100000230601 [0,1,0,0,0,0|3,0,0]=4 1264 B10R0.19 CCSC(C)C(=O)NCCF 527a_100000724931_100000230601 [0,1,0,0,0,0|3,0,0]=4 1265 B10R0.19 CCSC(C)C(=O)NCCO 240690a_100000210304_100000230601 [0,1,0,0,0,0|3,0,0]=4 1266 B10R0.19 CCSC(C)C(=O)NCCO 527a_100000210304_100000230601 [0,1,0,0,0,0|3,0,0]=4 1267 B10R0.19 CCSCC(=O)C(C)CC#N 1458a_100000230394_100009813641 [0,1,0,0,0,0|2,0,1]=4 1268 B10R0.19 CCSCC(=O)C(C)CCO 1458a_100000230394_100009893172 [0,1,0,0,0,0|2,0,0]=3 1269 B10R0.19 CCSCC(=O)C(C)COC 1458a_100000230394_100000765312 [0,1,0,0,0,0|2,0,0]=3 1270 B10R0.19 CCSCC(=O)N(C)CCO 240690a_100000210263_100000230394 [0,1,0,0,0,0|3,0,0]=4 1271 B10R0.19 CCSCC(=O)N(C)CCO 527a_100000210263_100000230394 [0,1,0,0,0,0|3,0,0]=4 1272 B10R0.19 CN(CCCO)C(=O)CCO 240690a_100000213112_100011216618 [0,1,0,0,0,0|3,0,0]=4 1273 B10R0.19 CNNC(=O)C(O)CCSC 22a_100016993582_100000685904 [0,1,0,0,0,0|2,0,0]=3 1274 B10R0.19 COCC(=O)N(C)CCCO 240690a_100000213112_100000210968 [0,1,0,0,0,0|3,0,0]=4 1275 B10R0.19 COCC(=O)N(C)CCCO 527a_100000213112_100000210968 [0,1,0,0,0,0|3,0,0]=4 1276 B10R0.19 COCC(=O)N(C)CCSC 11a_100000686725_100000210968 [0,1,0,0,0,0|3,0,0]=4 1277 B10R0.19 COCC(=O)N(C)CCSC 1626a_100000686725_100000210968 [0,1,0,0,0,0|3,0,0]=4 1278 B10R0.19 COCC(=O)N(C)CCSC 240690a_100000686725_100000210968 [0,1,0,0,0,0|3,0,0]=4 1279 B10R0.19 COCC(=O)N(C)CCSC 527a_100000686725_100000210968 [0,1,0,0,0,0|3,0,0]=4 1280 B10R0.19 COCC(C)C(=O)CCC#N 1458a_100000751857_100011215226 [0,1,0,0,0,0|2,0,1]=4 1281 B10R0.19 COCC(C)C(=O)CCC#N 1458a_100011934036_100000765312 [0,1,0,0,0,0|2,0,1]=4 1282 B10R0.19 COCC(C)C(=O)CCCF 1458a_100000751857_100011934791 [0,1,0,0,0,0|2,0,0]=3 1283 B10R0.19 COCC(C)C(=O)CCCO 1458a_100000751857_100011215043 [0,1,0,0,0,0|2,0,0]=3 1284 B10R0.19 COCC(C)C(=O)CCSC 1458a_100000174002_100000765312 [0,1,0,0,0,0|2,0,0]=3 1285 B10R0.19 COCC(C)C(=O)CCSC 1458a_100000751857_100000751147 [0,1,0,0,0,0|2,0,0]=3 1286 B10R0.19 COCC(C)C(=O)NCCF 11a_100000724931_100000751857 [0,1,0,0,0,0|3,0,0]=4 1287 B10R0.19 COCC(C)C(=O)NCCF 1626a_100000724931_100000751857 [0,1,0,0,0,0|3,0,0]=4 1288 B10R0.19 COCC(C)C(=O)NCCF 240690a_100000724931_100000751857 [0,1,0,0,0,0|3,0,0]=4 1289 B10R0.19 COCC(C)C(=O)NCCF 527a_100000724931_100000751857 [0,1,0,0,0,0|3,0,0]=4 1290 B10R0.19 COCC(C)C(=O)NCCO 240690a_100000210304_100000751857 [0,1,0,0,0,0|3,0,0]=4 1291 B10R0.19 COCC(C)C(=O)NCCO 527a_100000210304_100000751857 [0,1,0,0,0,0|3,0,0]=4 1292 B10R0.19 COCCC(=O)C(C)CC#N 1458a_100000749529_100009813641 [0,1,0,0,0,0|2,0,1]=4 1293 B10R0.19 COCCC(=O)C(C)CCO 1458a_100000749529_100009893172 [0,1,0,0,0,0|2,0,0]=3 1294 B10R0.19 COCCC(=O)C(C)COC 1458a_100000749529_100000765312 [0,1,0,0,0,0|2,0,0]=3 1295 B10R0.19 COCCC(=O)C(C)COC 1458a_100000751857_100000233755 [0,1,0,0,0,0|2,0,0]=3 1296 B10R0.19 COCCC(=O)C(C)CSC 1458a_100000753918_100000233755 [0,1,0,0,0,0|2,0,0]=3 1297 B10R0.19 COCCC(=O)N(C)CCO 240690a_100000210263_100000749529 [0,1,0,0,0,0|3,0,0]=4 1298 B10R0.19 COCCC(=O)N(C)CCO 527a_100000210263_100000749529 [0,1,0,0,0,0|3,0,0]=4 1299 B10R0.19 COCCN(C)C(=O)CCO 240690a_100000743101_100011216618 [0,1,0,0,0,0|3,0,0]=4 1300 B10R0.19 COCCN(C)C(=O)COC 11a_100000743101_100000210968 [0,1,0,0,0,0|3,0,0]=4 1301 B10R0.19 COCCN(C)C(=O)COC 1626a_100000743101_100000210968 [0,1,0,0,0,0|3,0,0]=4 1302 B10R0.19 COCCN(C)C(=O)COC 240690a_100000743101_100000210968 [0,1,0,0,0,0|3,0,0]=4 1303 B10R0.19 COCCN(C)C(=O)COC 527a_100000743101_100000210968 [0,1,0,0,0,0|3,0,0]=4 1304 B10R0.19 COCCN(C)C(=O)CSC 11a_100000743101_100000184570 [0,1,0,0,0,0|3,0,0]=4 1305 B10R0.19 COCCN(C)C(=O)CSC 1626a_100000743101_100000184570 [0,1,0,0,0,0|3,0,0]=4 1306 B10R0.19 COCCN(C)C(=O)CSC 240690a_100000743101_100000184570 [0,1,0,0,0,0|3,0,0]=4 1307 B10R0.19 COCCN(C)C(=O)CSC 527a_100000743101_100000184570 [0,1,0,0,0,0|3,0,0]=4 1308 B10R0.19 CSCC(=O)N(C)CCCO 240690a_100000213112_100000184570 [0,1,0,0,0,0|3,0,0]=4 1309 B10R0.19 CSCC(=O)N(C)CCCO 527a_100000213112_100000184570 [0,1,0,0,0,0|3,0,0]=4 1310 B10R0.19 CSCC(C)C(=O)CCC#N 1458a_100000753918_100011215226 [0,1,0,0,0,0|2,0,1]=4 1311 B10R0.19 CSCC(C)C(=O)CCCF 1458a_100000753918_100011934791 [0,1,0,0,0,0|2,0,0]=3 1312 B10R0.19 CSCC(C)C(=O)CCCO 1458a_100000753918_100011215043 [0,1,0,0,0,0|2,0,0]=3 1313 B10R0.19 CSCC(C)C(=O)NCCF 11a_100000724931_100000753918 [0,1,0,0,0,0|3,0,0]=4 1314 B10R0.19 CSCC(C)C(=O)NCCF 1626a_100000724931_100000753918 [0,1,0,0,0,0|3,0,0]=4 1315 B10R0.19 CSCC(C)C(=O)NCCF 240690a_100000724931_100000753918 [0,1,0,0,0,0|3,0,0]=4 1316 B10R0.19 CSCC(C)C(=O)NCCF 527a_100000724931_100000753918 [0,1,0,0,0,0|3,0,0]=4 1317 B10R0.19 CSCC(C)C(=O)NCCO 240690a_100000210304_100000753918 [0,1,0,0,0,0|3,0,0]=4 1318 B10R0.19 CSCC(C)C(=O)NCCO 527a_100000210304_100000753918 [0,1,0,0,0,0|3,0,0]=4 1319 B10R0.19 CSCCC(=O)C(C)CC#N 1458a_100000174002_100009813641 [0,1,0,0,0,0|2,0,1]=4 1320 B10R0.19 CSCCC(=O)C(C)CCO 1458a_100000174002_100009893172 [0,1,0,0,0,0|2,0,0]=3 1321 B10R0.19 CSCCC(=O)C(C)CSC 1458a_100000753918_100000751147 [0,1,0,0,0,0|2,0,0]=3 1322 B10R0.19 CSCCC(=O)N(C)CCO 240690a_100000210263_100000174002 [0,1,0,0,0,0|3,0,0]=4 1323 B10R0.19 CSCCC(=O)N(C)CCO 527a_100000210263_100000174002 [0,1,0,0,0,0|3,0,0]=4 1324 B10R0.19 CSCCC(O)C(=O)CC#N 1458a_100000685904_100011214920 [0,1,0,0,0,0|1,0,1]=3 1325 B10R0.19 CSCCC(O)C(=O)CCF 1458a_100000685904_100011217306 [0,1,0,0,0,0|1,0,0]=2 1326 B10R0.19 CSCCC(O)C(=O)CCO 1458a_100000685904_100000211926 [0,1,0,0,0,0|1,0,0]=2 1327 B10R0.19 CSCCN(C)C(=O)CCO 240690a_100000686725_100011216618 [0,1,0,0,0,0|3,0,0]=4 1328 B10R0.19 CSCCN(C)C(=O)CSC 11a_100000686725_100000184570 [0,1,0,0,0,0|3,0,0]=4 1329 B10R0.19 CSCCN(C)C(=O)CSC 1626a_100000686725_100000184570 [0,1,0,0,0,0|3,0,0]=4 1330 B10R0.19 CSCCN(C)C(=O)CSC 240690a_100000686725_100000184570 [0,1,0,0,0,0|3,0,0]=4 1331 B10R0.19 CSCCN(C)C(=O)CSC 527a_100000686725_100000184570 [0,1,0,0,0,0|3,0,0]=4 1332 B10R0.32 C#CCC(=O)C(C)CC(C)C 1458a_100011220946_100000731052 [0,1,0,0,0,0|1,0,2]=4 1333 B10R0.32 C#CCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000184674 [0,1,0,0,0,0|0,0,2]=3 1334 B10R0.32 C=C(C)CC(=O)C(C)CCC 1458a_100000210906_100000748629 [0,1,0,0,0,0|1,0,1]=3 1335 B10R0.32 C=C(C)CC(=O)C(C)COC 1458a_100000751857_100000748629 [0,1,0,0,0,0|2,0,1]=4 1336 B10R0.32 C=C(C)CC(=O)C(C)CSC 1458a_100000753918_100000748629 [0,1,0,0,0,0|2,0,1]=4 1337 B10R0.32 C=C(C)CC(=O)C(C)OCC 1458a_100000739345_100000748629 [0,1,0,0,0,0|2,0,1]=4 1338 B10R0.32 C=C(C)CC(=O)C(C)SCC 1458a_100000230601_100000748629 [0,1,0,0,0,0|2,0,1]=4 1339 B10R0.32 C=C(C)CC(=O)[C@@H](O)CCC 1458a_100009822183_100000748629 [0,1,0,0,0,0|0,0,1]=2 1340 B10R0.32 C=C(C)CN(C)C(=O)CCC 11a_100000225649_100000211992 [0,1,0,0,0,0|2,0,1]=4 1341 B10R0.32 C=C(C)CN(C)C(=O)CCC 1626a_100000225649_100000211992 [0,1,0,0,0,0|2,0,1]=4 1342 B10R0.32 C=C(C)CN(C)C(=O)CCC 527a_100000225649_100000211992 [0,1,0,0,0,0|2,0,1]=4 1343 B10R0.32 C=C(CC(C)C)C(C)NCC 269862a_100015525214_100009860644 [0,1,0,0,0,0|3,0,0]=4 1344 B10R0.32 C=C(F)CC(=O)C(C)CCC 1458a_100000210906_100009893438 [0,1,0,0,0,0|1,0,2]=4 1345 B10R0.32 C=C(F)CC(=O)[C@@H](O)CCC 1458a_100009822183_100009893438 [0,1,0,0,0,0|0,0,2]=3 1346 B10R0.32 C=CCC(=O)C(C)CC(C)C 1458a_100000210193_100000731052 [0,1,0,0,0,0|1,0,2]=4 1347 B10R0.32 C=CCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210623 [0,1,0,0,0,0|0,0,2]=3 1348 B10R0.32 C=CCC(C)C(=O)CC(C)C 1458a_100011216819_100000210624 [0,1,0,0,0,0|1,0,2]=4 1349 B10R0.32 C=CCC(C)C(=O)CC(C)O 1458a_100011216819_100011218427 [0,1,0,0,0,0|1,0,2]=4 1350 B10R0.32 CC#CC(=O)C(C)CC(C)C 1458a_100000763181_100000731052 [0,1,0,0,0,0|1,0,2]=4 1351 B10R0.32 CC(C)CC(=O)C(C)CC#N 1458a_100000210554_100009813641 [0,1,0,0,0,0|2,0,1]=4 1352 B10R0.32 CC(C)CC(=O)C(C)CCO 1458a_100000210554_100009893172 [0,1,0,0,0,0|2,0,0]=3 1353 B10R0.32 CC(C)CC(=O)N(C)CCO 240690a_100000210263_100000210554 [0,1,0,0,0,0|3,0,0]=4 1354 B10R0.32 CC(C)CC(=O)N(C)CCO 527a_100000210263_100000210554 [0,1,0,0,0,0|3,0,0]=4 1355 B10R0.32 CC(C)CC(C)C(=O)CC#N 1458a_100051588842_100000731052 [0,1,0,0,0,0|2,0,1]=4 1356 B10R0.32 CC(C)CC(C)C(=O)CCO 1458a_100011216618_100000731052 [0,1,0,0,0,0|2,0,0]=3 1357 B10R0.32 CC(C)CN(C)C(=O)CCO 240690a_100000747067_100011216618 [0,1,0,0,0,0|3,0,0]=4 1358 B10R0.32 CC(C)C[C@H](O)C(=O)CC#N 1458a_100012027011_100011214920 [0,1,0,0,0,0|1,0,1]=3 1359 B10R0.32 CC(C)C[C@H](O)C(=O)CCF 1458a_100012027011_100011217306 [0,1,0,0,0,0|1,0,0]=2 1360 B10R0.32 CC(C)C[C@H](O)C(=O)CCO 1458a_100012027011_100000211926 [0,1,0,0,0,0|1,0,0]=2 1361 B10R0.32 CC(C)OC(=O)[C@@H](N)CO[13CH3] 34a_100121572844_200025704644 [0,1,0,0,0,0|3,0,0]=4 1362 B10R0.32 CC(CC#N)C(=O)C[C@@H](C)O 1458a_100011933948_100009813641 [0,1,0,0,0,0|2,0,1]=4 1363 B10R0.32 CC(CCO)C(=O)CN(C)C 1458a_100000750896_100009893172 [0,1,0,0,0,0|3,0,0]=4 1364 B10R0.32 CC(CCO)C(=O)C[C@@H](C)O 1458a_100011933948_100009893172 [0,1,0,0,0,0|2,0,0]=3 1365 B10R0.32 CC(CCO)C(=O)C[S+](C)C 1458a_200159257847_100009893172 [0,1,0,0,0,0|3,0,0]=4 1366 B10R0.32 CC(CN(C)C)C(=O)CCF 1458a_200015186601_100011217306 [0,1,0,0,0,0|3,0,0]=4 1367 B10R0.32 CC(CN(C)C)C(=O)CCO 1458a_200015186601_100000211926 [0,1,0,0,0,0|3,0,0]=4 1368 B10R0.32 CC(O)CN(C)C(=O)CCO 240690a_100000227577_100011216618 [0,1,0,0,0,0|3,0,0]=4 1369 B10R0.32 CC/C=C(\C)/C(=O)CC(C)C 1458a_100016988807_100000210624 [0,1,0,0,0,0|1,0,2]=4 1370 B10R0.32 CC/C=C(\C)/C(=O)CC(C)O 1458a_100016988807_100011218427 [0,1,0,0,0,0|1,0,2]=4 1371 B10R0.32 CC=CC(=O)C(C)CC(C)C 1458a_100000210699_100000731052 [0,1,0,0,0,0|1,0,2]=4 1372 B10R0.32 CCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210303 [0,1,0,0,0,0|1,0,2]=4 1373 B10R0.32 CCCC(=O)C(C)CC(C)C 1458a_100000211992_100000731052 [0,1,0,0,0,0|1,0,0]=2 1374 B10R0.32 CCCC(=O)C(C)CN(C)C 1458a_200015186601_100000210303 [0,1,0,0,0,0|2,0,0]=3 1375 B10R0.32 CCCC(=O)C(C)OC(=O)C 1458a_100000211992_100009818208 [0,1,0,0,0,0|2,0,1]=4 1376 B10R0.32 CCCC(=O)N(C)CC(C)C 11a_100000747067_100000211992 [0,1,0,0,0,0|2,0,0]=3 1377 B10R0.32 CCCC(=O)N(C)CC(C)C 1626a_100000747067_100000211992 [0,1,0,0,0,0|2,0,0]=3 1378 B10R0.32 CCCC(=O)N(C)CC(C)C 240690a_100000747067_100000211992 [0,1,0,0,0,0|2,0,0]=3 1379 B10R0.32 CCCC(=O)N(C)CC(C)C 527a_100000747067_100000211992 [0,1,0,0,0,0|2,0,0]=3 1380 B10R0.32 CCCC(=O)N(C)CC(C)O 240690a_100000227577_100000211992 [0,1,0,0,0,0|2,0,0]=3 1381 B10R0.32 CCCC(=O)N(C)CC(C)O 527a_100000227577_100000211992 [0,1,0,0,0,0|2,0,0]=3 1382 B10R0.32 CCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210303 [0,1,0,0,0,0|2,0,1]=4 1383 B10R0.32 CCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210303 [0,1,0,0,0,0|0,0,0]=1 1384 B10R0.32 CCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210303 [0,1,0,0,0,0|2,0,1]=4 1385 B10R0.32 CCCC(C)C(=O)C=C(C)C 1458a_100000211388_100000766640 [0,1,0,0,0,0|1,0,2]=4 1386 B10R0.32 CCCC(C)C(=O)C=C(C)Cl 1458a_200042562850_100000766640 [0,1,0,0,0,0|1,0,2]=4 1387 B10R0.32 CCCC(C)C(=O)C=C(C)I 1458a_100025716642_100000766640 [0,1,0,0,0,0|1,0,2]=4 1388 B10R0.32 CCCC(C)C(=O)CC(=O)N 1458a_100000210906_100000187820 [0,1,0,0,0,0|2,0,1]=4 1389 B10R0.32 CCCC(C)C(=O)CC(=O)N 1458a_100134613110_100000766640 [0,1,0,0,0,0|2,0,1]=4 1390 B10R0.32 CCCC(C)C(=O)CC(=O)[O-] 1458a_100000210906_100020667443 [0,1,0,0,0,0|2,0,1]=4 1391 B10R0.32 CCCC(C)C(=O)CC(C)C 1458a_100000210554_100000766640 [0,1,0,0,0,0|1,0,0]=2 1392 B10R0.32 CCCC(C)C(=O)CC(C)C 1458a_100000210906_100000210624 [0,1,0,0,0,0|1,0,0]=2 1393 B10R0.32 CCCC(C)C(=O)CC(C)O 1458a_100000210906_100011218427 [0,1,0,0,0,0|1,0,0]=2 1394 B10R0.32 CCCC(C)C(=O)CC(F)F 1458a_100000210906_100011934356 [0,1,0,0,0,0|2,0,0]=3 1395 B10R0.32 CCCC(C)C(=O)CN(C)C 1458a_100000750896_100000766640 [0,1,0,0,0,0|2,0,0]=3 1396 B10R0.32 CCCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000766640 [0,1,0,0,0,0|1,0,0]=2 1397 B10R0.32 CCCC(C)C(=O)C[N+](=O)[O-] 1458a_100000210906_100000761209 [0,1,0,0,0,0|3,0,0]=4 1398 B10R0.32 CCCC(C)C(=O)C[S+](C)C 1458a_200159257847_100000766640 [0,1,0,0,0,0|2,0,0]=3 1399 B10R0.32 CCCC(C)C(=O)NC(C)C 11a_100138425928_100000210906 [0,1,0,0,0,0|2,0,0]=3 1400 B10R0.32 CCCC(C)C(=O)NC(C)C 1626a_100138425928_100000210906 [0,1,0,0,0,0|2,0,0]=3 1401 B10R0.32 CCCC(C)C(=O)NC(C)C 240690a_100138425928_100000210906 [0,1,0,0,0,0|2,0,0]=3 1402 B10R0.32 CCCC(C)C(=O)NC(C)C 527a_100138425928_100000210906 [0,1,0,0,0,0|2,0,0]=3 1403 B10R0.32 CCCC(C)N(C)CC(C)C 2230a_100000747067_100000766640 [0,1,0,0,0,0|3,0,0]=4 1404 B10R0.32 CCCC(C)N(C)CC(C)C 269982a_100000747067_100000766640 [0,1,0,0,0,0|3,0,0]=4 1405 B10R0.32 CCCC(C)N(C)CC(C)C 270004a_100000747067_100000211909 [0,1,0,0,0,0|3,0,0]=4 1406 B10R0.32 CCCC(C)N(C)CC(C)O 2230a_100000227577_100000766640 [0,1,0,0,0,0|3,0,0]=4 1407 B10R0.32 CCCC(C)N(C)CC(C)O 269982a_100000227577_100000766640 [0,1,0,0,0,0|3,0,0]=4 1408 B10R0.32 CCCC(C)N(C)CC(C)O 270004a_100000227577_100000211909 [0,1,0,0,0,0|3,0,0]=4 1409 B10R0.32 CCCN(C)C(=O)CC(C)C 11a_100000747261_100000210554 [0,1,0,0,0,0|2,0,0]=3 1410 B10R0.32 CCCN(C)C(=O)CC(C)C 1626a_100000747261_100000210554 [0,1,0,0,0,0|2,0,0]=3 1411 B10R0.32 CCCN(C)C(=O)CC(C)C 240690a_100000747261_100000210554 [0,1,0,0,0,0|2,0,0]=3 1412 B10R0.32 CCCN(C)C(=O)CC(C)C 527a_100000747261_100000210554 [0,1,0,0,0,0|2,0,0]=3 1413 B10R0.32 CCCN(C)C(=O)CN(C)C 11a_100000747261_100000750896 [0,1,0,0,0,0|3,0,0]=4 1414 B10R0.32 CCCN(C)C(=O)CN(C)C 240690a_100000747261_100000750896 [0,1,0,0,0,0|3,0,0]=4 1415 B10R0.32 CCCN(C)C(=O)CN(C)C 527a_100000747261_100000750896 [0,1,0,0,0,0|3,0,0]=4 1416 B10R0.32 CCCN(C)C(=O)C[C@@H](C)O 240690a_100000747261_100011933948 [0,1,0,0,0,0|2,0,0]=3 1417 B10R0.32 CCCN(C)C(=O)C[S+](C)C 11a_100000747261_200159257847 [0,1,0,0,0,0|3,0,0]=4 1418 B10R0.32 CCCN(C)C(=O)C[S+](C)C 1626a_100000747261_200159257847 [0,1,0,0,0,0|3,0,0]=4 1419 B10R0.32 CCCN(C)C(=O)C[S+](C)C 240690a_100000747261_200159257847 [0,1,0,0,0,0|3,0,0]=4 1420 B10R0.32 CCCN(C)C(=O)C[S+](C)C 527a_100000747261_200159257847 [0,1,0,0,0,0|3,0,0]=4 1421 B10R0.32 CCCN(C)C(=O)NC(C)C 2708a_100138425928_100000747261 [0,1,0,0,0,0|3,0,0]=4 1422 B10R0.32 CCCN(C)C(=O)NC(C)C 273464a_100138425928_100000747261 [0,1,0,0,0,0|3,0,0]=4 1423 B10R0.32 CCCN(C)C(C)CC(C)C 2230a_100000745462_100000210303 [0,1,0,0,0,0|3,0,0]=4 1424 B10R0.32 CCCN(C)C(C)CC(C)C 2230a_100000747261_100000731052 [0,1,0,0,0,0|3,0,0]=4 1425 B10R0.32 CCCN(C)C(C)CC(C)C 269982a_100000745462_100000210303 [0,1,0,0,0,0|3,0,0]=4 1426 B10R0.32 CCCN(C)C(C)CC(C)C 269982a_100000747261_100000731052 [0,1,0,0,0,0|3,0,0]=4 1427 B10R0.32 CCC[C@H](O)C(=O)CC(=O)N 1458a_100009822183_100000187820 [0,1,0,0,0,0|1,0,1]=3 1428 B10R0.32 CCC[C@H](O)C(=O)CC(=O)[O-] 1458a_100009822183_100020667443 [0,1,0,0,0,0|1,0,1]=3 1429 B10R0.32 CCC[C@H](O)C(=O)CC(C)C 1458a_100009822183_100000210624 [0,1,0,0,0,0|0,0,0]=1 1430 B10R0.32 CCC[C@H](O)C(=O)CC(C)O 1458a_100009822183_100011218427 [0,1,0,0,0,0|0,0,0]=1 1431 B10R0.32 CCC[C@H](O)C(=O)CC(F)F 1458a_100009822183_100011934356 [0,1,0,0,0,0|1,0,0]=2 1432 B10R0.32 CCC[C@H](O)C(=O)C[N+](=O)[O-] 1458a_100009822183_100000761209 [0,1,0,0,0,0|2,0,0]=3 1433 B10R0.32 CCC[C@H](O)C(=O)NC(C)C 240690a_100138425928_100009822183 [0,1,0,0,0,0|1,0,0]=2 1434 B10R0.32 CCNC(=O)C(=O)CC(C)C 1458a_200011297158_100000210624 [0,1,0,0,0,0|1,0,2]=4 1435 B10R0.32 CCNC(=O)C(=O)CC(C)O 1458a_200011297158_100011218427 [0,1,0,0,0,0|1,0,2]=4 1436 B10R0.32 CCNC(=O)C(C)CN(C)C 240690a_100015525214_200015186601 [0,1,0,0,0,0|3,0,0]=4 1437 B10R0.32 CCNC(=O)C(C)NC(C)C 2230a_100000736553_100000210206 [0,1,0,0,0,0|3,0,0]=4 1438 B10R0.32 CCNC(=O)C(C)NC(C)C 2230a_100138425928_100000230173 [0,1,0,0,0,0|3,0,0]=4 1439 B10R0.32 CCNC(=O)C(C)NC(C)C 34a_100000736553_100000210206 [0,1,0,0,0,0|3,0,0]=4 1440 B10R0.32 CCNC(=O)C(C)NC(C)C 34a_100138425928_100000230173 [0,1,0,0,0,0|3,0,0]=4 1441 B10R0.32 CCNC(=O)C(C)OC(C)C 34a_100000212225_100000230173 [0,1,0,0,0,0|3,0,0]=4 1442 B10R0.32 CCNC(=O)C(C)SC(C)C 62a_100000210206_100000230173 [0,1,0,0,0,0|3,0,0]=4 1443 B10R0.32 CCNC(=O)C(C)SC(C)C 62a_100000230173_100000210206 [0,1,0,0,0,0|3,0,0]=4 1444 B10R0.32 CCNC(=O)N(C)CC(C)C 2708a_100015525214_100000747067 [0,1,0,0,0,0|3,0,0]=4 1445 B10R0.32 CCNC(=O)N(C)CC(C)C 273464a_100015525214_100000747067 [0,1,0,0,0,0|3,0,0]=4 1446 B10R0.32 CCNC(=O)N(C)CC(C)O 2708a_100015525214_100000227577 [0,1,0,0,0,0|3,0,0]=4 1447 B10R0.32 CCNC(=O)[C@@H](O)CC(C)C 240690a_100015525214_100012027011 [0,1,0,0,0,0|1,0,0]=2 1448 B10R0.32 CCNC(C)C(=O)NC(C)C 2230a_100015205314_100000210202 [0,1,0,0,0,0|3,0,0]=4 1449 B10R0.32 CCNC(C)C(=O)NC(C)C 2230a_100015525214_100000195394 [0,1,0,0,0,0|3,0,0]=4 1450 B10R0.32 CCNC(C)C(=O)NC(C)C 34a_100015205314_100000210202 [0,1,0,0,0,0|3,0,0]=4 1451 B10R0.32 CCOC(=O)C(C)NC(C)C 2230a_100138425928_100011215307 [0,1,0,0,0,0|3,0,0]=4 1452 B10R0.32 CCOC(=O)C(C)NC(C)C 34a_100138425928_100011216346 [0,1,0,0,0,0|3,0,0]=4 1453 B10R0.32 CCOC(=O)C(C)OC(C)C 34a_100000212225_100011216346 [0,1,0,0,0,0|3,0,0]=4 1454 B10R0.32 CCOC(=O)C(C)SC(C)C 62a_100000210206_100011216346 [0,1,0,0,0,0|3,0,0]=4 1455 B10R0.32 CCOC(=O)C(C)SC(C)C 62a_100011216346_100000210206 [0,1,0,0,0,0|3,0,0]=4 1456 B10R0.32 CCOC(=O)C(F)NC(C)C 2230a_100138425928_100000760018 [0,1,0,0,0,0|3,0,0]=4 1457 B10R0.32 CCOC(=O)C(F)NC(C)C 34a_100138425928_100000760018 [0,1,0,0,0,0|3,0,0]=4 1458 B10R0.32 CCOC(=O)C(F)OC(C)C 34a_100000212225_100000760018 [0,1,0,0,0,0|3,0,0]=4 1459 B10R0.32 CCOC(=O)C(F)SC(C)C 62a_100000210206_100000760018 [0,1,0,0,0,0|3,0,0]=4 1460 B10R0.32 CCOC(=O)C(F)SC(C)C 62a_100000760018_100000210206 [0,1,0,0,0,0|3,0,0]=4 1461 B10R0.32 CCOC(=O)[C@H](C)OC(C)C 7a_100000751109_100000210206 [0,1,0,0,0,0|3,0,0]=4 1462 B10R0.32 CCOC(C)C(=O)CC(C)C 1458a_100000739345_100000210624 [0,1,0,0,0,0|2,0,0]=3 1463 B10R0.32 CCOC(C)C(=O)CC(C)O 1458a_100000739345_100011218427 [0,1,0,0,0,0|2,0,0]=3 1464 B10R0.32 CCOC(C)C(=O)CC(F)F 1458a_100000739345_100011934356 [0,1,0,0,0,0|3,0,0]=4 1465 B10R0.32 CCOC(C)C(=O)NC(C)C 11a_100138425928_100000739345 [0,1,0,0,0,0|3,0,0]=4 1466 B10R0.32 CCOC(C)C(=O)NC(C)C 1626a_100138425928_100000739345 [0,1,0,0,0,0|3,0,0]=4 1467 B10R0.32 CCOC(C)C(=O)NC(C)C 240690a_100138425928_100000739345 [0,1,0,0,0,0|3,0,0]=4 1468 B10R0.32 CCOC(C)C(=O)NC(C)C 34a_100121572206_100000195394 [0,1,0,0,0,0|3,0,0]=4 1469 B10R0.32 CCOC(C)C(=O)NC(C)C 527a_100138425928_100000739345 [0,1,0,0,0,0|3,0,0]=4 1470 B10R0.32 CCO[C@H](C)C(=O)OC(C)C 34a_100015307928_100000210202 [0,1,0,0,0,0|3,0,0]=4 1471 B10R0.32 CCO[C@H](C)C(=O)OC(C)C 7a_100015307928_100000210202 [0,1,0,0,0,0|3,0,0]=4 1472 B10R0.32 CCSC(=O)[C@H](C)NC(C)C 2230a_100103168634_100000210206 [0,1,0,0,0,0|3,0,0]=4 1473 B10R0.32 CCSC(C)C(=O)CC(C)C 1458a_100000230601_100000210624 [0,1,0,0,0,0|2,0,0]=3 1474 B10R0.32 CCSC(C)C(=O)CC(C)O 1458a_100000230601_100011218427 [0,1,0,0,0,0|2,0,0]=3 1475 B10R0.32 CCSC(C)C(=O)CC(F)F 1458a_100000230601_100011934356 [0,1,0,0,0,0|3,0,0]=4 1476 B10R0.32 CCSC(C)C(=O)NC(C)C 11a_100138425928_100000230601 [0,1,0,0,0,0|3,0,0]=4 1477 B10R0.32 CCSC(C)C(=O)NC(C)C 1626a_100138425928_100000230601 [0,1,0,0,0,0|3,0,0]=4 1478 B10R0.32 CCSC(C)C(=O)NC(C)C 240690a_100138425928_100000230601 [0,1,0,0,0,0|3,0,0]=4 1479 B10R0.32 CCSC(C)C(=O)NC(C)C 527a_100138425928_100000230601 [0,1,0,0,0,0|3,0,0]=4 1480 B10R0.32 CCSC(C)C(=O)NC(C)C 62a_100000195394_100000210202 [0,1,0,0,0,0|3,0,0]=4 1481 B10R0.32 CCSC(C)C(=O)NC(C)C 62a_100000210202_100000195394 [0,1,0,0,0,0|3,0,0]=4 1482 B10R0.32 CNNC(=O)[C@@H](O)CC(C)C 22a_100016993582_100012027011 [0,1,0,0,0,0|2,0,0]=3 1483 B10R0.32 COCC(=O)C(C)CC(C)C 1458a_100000210968_100000731052 [0,1,0,0,0,0|2,0,0]=3 1484 B10R0.32 COCC(=O)N(C)CC(C)C 11a_100000747067_100000210968 [0,1,0,0,0,0|3,0,0]=4 1485 B10R0.32 COCC(=O)N(C)CC(C)C 1626a_100000747067_100000210968 [0,1,0,0,0,0|3,0,0]=4 1486 B10R0.32 COCC(=O)N(C)CC(C)C 240690a_100000747067_100000210968 [0,1,0,0,0,0|3,0,0]=4 1487 B10R0.32 COCC(=O)N(C)CC(C)C 527a_100000747067_100000210968 [0,1,0,0,0,0|3,0,0]=4 1488 B10R0.32 COCC(=O)N(C)CC(C)O 240690a_100000227577_100000210968 [0,1,0,0,0,0|3,0,0]=4 1489 B10R0.32 COCC(=O)N(C)CC(C)O 527a_100000227577_100000210968 [0,1,0,0,0,0|3,0,0]=4 1490 B10R0.32 COCC(C)C(=O)CC(C)C 1458a_100000210554_100000765312 [0,1,0,0,0,0|2,0,0]=3 1491 B10R0.32 COCC(C)C(=O)CC(C)C 1458a_100000751857_100000210624 [0,1,0,0,0,0|2,0,0]=3 1492 B10R0.32 COCC(C)C(=O)CC(C)O 1458a_100000751857_100011218427 [0,1,0,0,0,0|2,0,0]=3 1493 B10R0.32 COCC(C)C(=O)CC(F)F 1458a_100000751857_100011934356 [0,1,0,0,0,0|3,0,0]=4 1494 B10R0.32 COCC(C)C(=O)CN(C)C 1458a_100000750896_100000765312 [0,1,0,0,0,0|3,0,0]=4 1495 B10R0.32 COCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000765312 [0,1,0,0,0,0|2,0,0]=3 1496 B10R0.32 COCC(C)C(=O)C[S+](C)C 1458a_200159257847_100000765312 [0,1,0,0,0,0|3,0,0]=4 1497 B10R0.32 COCC(C)C(=O)NC(C)C 11a_100138425928_100000751857 [0,1,0,0,0,0|3,0,0]=4 1498 B10R0.32 COCC(C)C(=O)NC(C)C 1626a_100138425928_100000751857 [0,1,0,0,0,0|3,0,0]=4 1499 B10R0.32 COCC(C)C(=O)NC(C)C 240690a_100138425928_100000751857 [0,1,0,0,0,0|3,0,0]=4 1500 B10R0.32 COCC(C)C(=O)NC(C)C 527a_100138425928_100000751857 [0,1,0,0,0,0|3,0,0]=4 1501 B10R0.32 COC[C@H](N)C(=O)OC(C)C 34a_100121572844_200000210301 [0,1,0,0,0,0|3,0,0]=4 1502 B10R0.32 CSCC(=O)C(C)CC(C)C 1458a_100000184570_100000731052 [0,1,0,0,0,0|2,0,0]=3 1503 B10R0.32 CSCC(=O)N(C)CC(C)C 11a_100000747067_100000184570 [0,1,0,0,0,0|3,0,0]=4 1504 B10R0.32 CSCC(=O)N(C)CC(C)C 1626a_100000747067_100000184570 [0,1,0,0,0,0|3,0,0]=4 1505 B10R0.32 CSCC(=O)N(C)CC(C)C 240690a_100000747067_100000184570 [0,1,0,0,0,0|3,0,0]=4 1506 B10R0.32 CSCC(=O)N(C)CC(C)C 527a_100000747067_100000184570 [0,1,0,0,0,0|3,0,0]=4 1507 B10R0.32 CSCC(=O)N(C)CC(C)O 240690a_100000227577_100000184570 [0,1,0,0,0,0|3,0,0]=4 1508 B10R0.32 CSCC(=O)N(C)CC(C)O 527a_100000227577_100000184570 [0,1,0,0,0,0|3,0,0]=4 1509 B10R0.32 CSCC(C)C(=O)CC(C)C 1458a_100000753918_100000210624 [0,1,0,0,0,0|2,0,0]=3 1510 B10R0.32 CSCC(C)C(=O)CC(C)O 1458a_100000753918_100011218427 [0,1,0,0,0,0|2,0,0]=3 1511 B10R0.32 CSCC(C)C(=O)CC(F)F 1458a_100000753918_100011934356 [0,1,0,0,0,0|3,0,0]=4 1512 B10R0.32 CSCC(C)C(=O)NC(C)C 11a_100138425928_100000753918 [0,1,0,0,0,0|3,0,0]=4 1513 B10R0.32 CSCC(C)C(=O)NC(C)C 1626a_100138425928_100000753918 [0,1,0,0,0,0|3,0,0]=4 1514 B10R0.32 CSCC(C)C(=O)NC(C)C 240690a_100138425928_100000753918 [0,1,0,0,0,0|3,0,0]=4 1515 B10R0.32 CSCC(C)C(=O)NC(C)C 527a_100138425928_100000753918 [0,1,0,0,0,0|3,0,0]=4 1516 B10R0.32 C[C@@H](O)CC(=O)N(C)CCO 240690a_100000210263_100011933948 [0,1,0,0,0,0|3,0,0]=4 1517 B10R0.33 C#CCC(=O)C(CC)CCC 1458a_100011220946_100011219200 [0,1,0,0,0,0|1,0,2]=4 1518 B10R0.33 C#CCC(=O)C(CC)CCC 1458a_100011416436_100000184674 [0,1,0,0,0,0|1,0,2]=4 1519 B10R0.33 C=CCC(=O)C(CC)CCC 1458a_100000210193_100011219200 [0,1,0,0,0,0|1,0,2]=4 1520 B10R0.33 C=CCC(=O)C(CC)CCC 1458a_100011416436_100000210623 [0,1,0,0,0,0|1,0,2]=4 1521 B10R0.33 CC#CC(=O)C(CC)CCC 1458a_100000763181_100011219200 [0,1,0,0,0,0|1,0,2]=4 1522 B10R0.33 CC=CC(=O)C(CC)CCC 1458a_100000210699_100011219200 [0,1,0,0,0,0|1,0,2]=4 1523 B10R0.33 CCCC(=O)C(CC)CCC 1458a_100000211992_100011219200 [0,1,0,0,0,0|1,0,0]=2 1524 B10R0.33 CCCC(=O)C(CC)CCC 1458a_100011416436_100000210303 [0,1,0,0,0,0|1,0,0]=2 1525 B10R0.33 CCCC(=O)C(CCC)OC 34a_200011216804_200000210301 [0,1,0,0,0,0|0,0,0]=1 1526 B10R0.33 CCCC(=O)C(CCC)OC 7a_200011216804_200000210301 [0,1,0,0,0,0|0,0,0]=1 1527 B10R0.33 CCCC(=O)C(CCC)O[13CH3] 34a_200011216804_200025704644 [0,1,0,0,0,0|0,0,0]=1 1528 B10R0.33 CCCC(=O)C(CCC)O[13CH3] 7a_200011216804_200025704644 [0,1,0,0,0,0|0,0,0]=1 1529 B10R0.33 CCCC(=O)N(CC)CCC 11a_100000226822_100000211992 [0,1,0,0,0,0|2,0,0]=3 1530 B10R0.33 CCCC(=O)N(CC)CCC 1626a_100000226822_100000211992 [0,1,0,0,0,0|2,0,0]=3 1531 B10R0.33 CCCC(=O)N(CC)CCC 240690a_100000226822_100000211992 [0,1,0,0,0,0|2,0,0]=3 1532 B10R0.33 CCCC(=O)N(CC)CCC 527a_100000226822_100000211992 [0,1,0,0,0,0|2,0,0]=3 1533 B10R0.33 CCCC(=O)N(CC)CCO 240690a_100000210973_100000211992 [0,1,0,0,0,0|3,0,0]=4 1534 B10R0.33 CCCC(=O)N(CC)CCO 527a_100000210973_100000211992 [0,1,0,0,0,0|3,0,0]=4 1535 B10R0.33 CCCC(C#N)N(C)CCC 2230a_100000727963_100000210303 [0,1,0,0,0,0|3,0,0]=4 1536 B10R0.33 CCCC(C)N(CC)CCC 2230a_100000226822_100000766640 [0,1,0,0,0,0|3,0,0]=4 1537 B10R0.33 CCCC(C)N(CC)CCC 269982a_100000226822_100000766640 [0,1,0,0,0,0|3,0,0]=4 1538 B10R0.33 CCCC(C)N(CC)CCC 270004a_100000226822_100000211909 [0,1,0,0,0,0|3,0,0]=4 1539 B10R0.33 CCCC(CC)C(=O)CC#N 1458a_100011416436_100011214920 [0,1,0,0,0,0|2,0,1]=4 1540 B10R0.33 CCCC(CC)C(=O)CC#N 1458a_100051588842_100011219200 [0,1,0,0,0,0|2,0,1]=4 1541 B10R0.33 CCCC(CC)C(=O)CCF 1458a_100011416436_100011217306 [0,1,0,0,0,0|2,0,0]=3 1542 B10R0.33 CCCC(CC)C(=O)CCO 1458a_100011216618_100011219200 [0,1,0,0,0,0|2,0,0]=3 1543 B10R0.33 CCCC(CC)C(=O)CCO 1458a_100011416436_100000211926 [0,1,0,0,0,0|2,0,0]=3 1544 B10R0.33 CCCC(CC)C(=O)COC 1458a_100000210968_100011219200 [0,1,0,0,0,0|2,0,0]=3 1545 B10R0.33 CCCC(CC)C(=O)CSC 1458a_100000184570_100011219200 [0,1,0,0,0,0|2,0,0]=3 1546 B10R0.33 CCCC(CC)C(=O)NCC 11a_100015525214_100011416436 [0,1,0,0,0,0|2,0,0]=3 1547 B10R0.33 CCCC(CC)C(=O)NCC 240690a_100015525214_100011416436 [0,1,0,0,0,0|2,0,0]=3 1548 B10R0.33 CCCC(CC)C(=O)NCC 527a_100015525214_100011416436 [0,1,0,0,0,0|2,0,0]=3 1549 B10R0.33 CCCC(CC)C(=O)NNC 22a_100016993582_100011416436 [0,1,0,0,0,0|3,0,0]=4 1550 B10R0.33 CCCC(CC)N(C)CCC 269982a_100000747261_100011219200 [0,1,0,0,0,0|3,0,0]=4 1551 B10R0.33 CCCC(CC)N(C)CCC 270004a_100000747261_100000687865 [0,1,0,0,0,0|3,0,0]=4 1552 B10R0.33 CCCC(NC)C(=O)OCC 2230a_106832991635_100000695697 [0,1,0,0,0,0|2,0,0]=3 1553 B10R0.33 CCCC(NC)C(=O)OCC 34a_100102657272_100000695697 [0,1,0,0,0,0|2,0,0]=3 1554 B10R0.33 CCCC(NC)C(=O)OCC 7a_106832991635_100000695697 [0,1,0,0,0,0|2,0,0]=3 1555 B10R0.33 CCCC(OC)C(=O)OCC 34a_100138415774_100000695697 [0,1,0,0,0,0|1,0,0]=2 1556 B10R0.33 CCCC(OC)C(=O)OCC 34a_200011218214_200000210301 [0,1,0,0,0,0|1,0,0]=2 1557 B10R0.33 CCCC(OC)C(=O)OCC 7a_200011218214_200000210301 [0,1,0,0,0,0|1,0,0]=2 1558 B10R0.33 CCCC(O[13CH3])C(=O)OCC 34a_200011218214_200025704644 [0,1,0,0,0,0|1,0,0]=2 1559 B10R0.33 CCCC(O[13CH3])C(=O)OCC 7a_200011218214_200025704644 [0,1,0,0,0,0|1,0,0]=2 1560 B10R0.33 CCCC(SC)C(=O)OCC 62a_100000695697_200000210301 [0,1,0,0,0,0|1,1,0]=3 1561 B10R0.33 CCCC(SC)C(=O)OCC 62a_200000210301_100000695697 [0,1,0,0,0,0|1,1,0]=3 1562 B10R0.33 CCCC(S[13CH3])C(=O)OCC 62a_100000695697_200025704644 [0,1,0,0,0,0|1,1,0]=3 1563 B10R0.33 CCCC(S[13CH3])C(=O)OCC 62a_200025704644_100000695697 [0,1,0,0,0,0|1,1,0]=3 1564 B10R0.33 CCCN(CC)C(=O)CCO 240690a_100000226822_100011216618 [0,1,0,0,0,0|3,0,0]=4 1565 B10R0.33 CCCN(CC)C(=O)COC 11a_100000226822_100000210968 [0,1,0,0,0,0|3,0,0]=4 1566 B10R0.33 CCCN(CC)C(=O)COC 1626a_100000226822_100000210968 [0,1,0,0,0,0|3,0,0]=4 1567 B10R0.33 CCCN(CC)C(=O)COC 240690a_100000226822_100000210968 [0,1,0,0,0,0|3,0,0]=4 1568 B10R0.33 CCCN(CC)C(=O)COC 527a_100000226822_100000210968 [0,1,0,0,0,0|3,0,0]=4 1569 B10R0.33 CCCN(CC)C(=O)CSC 11a_100000226822_100000184570 [0,1,0,0,0,0|3,0,0]=4 1570 B10R0.33 CCCN(CC)C(=O)CSC 1626a_100000226822_100000184570 [0,1,0,0,0,0|3,0,0]=4 1571 B10R0.33 CCCN(CC)C(=O)CSC 240690a_100000226822_100000184570 [0,1,0,0,0,0|3,0,0]=4 1572 B10R0.33 CCCN(CC)C(=O)CSC 527a_100000226822_100000184570 [0,1,0,0,0,0|3,0,0]=4 1573 B10R0.33 CCCN(CC)C(=O)NCC 2708a_100015525214_100000226822 [0,1,0,0,0,0|3,0,0]=4 1574 B10R0.33 CCCN(CC)C(=O)NCC 273464a_100015525214_100000226822 [0,1,0,0,0,0|3,0,0]=4 1575 B10R0.33 CCNC(CC)C(=O)OCC 2230a_100015525214_100000212269 [0,1,0,0,0,0|3,0,0]=4 1576 B10R0.33 CCOC(=O)C(C=O)SCC 62a_100000053139_100000210202 [0,1,0,0,0,0|2,0,1]=4 1577 B10R0.33 CCOC(=O)C(C=O)SCC 62a_100000210202_100000053139 [0,1,0,0,0,0|2,0,1]=4 1578 B10R0.33 CCOC(=O)C(CC)OCC 34a_100011216719_100000210202 [0,1,0,0,0,0|3,0,0]=4 1579 B10R0.33 CCOC(=O)C(CC)OCC 34a_100121572206_100000212269 [0,1,0,0,0,0|3,0,0]=4 1580 B10R0.33 CCOC(=O)C(CC)OCC 7a_100011216719_100000210202 [0,1,0,0,0,0|3,0,0]=4 1581 B10R0.33 CCOC(=O)C(CC)SCC 62a_100000210202_100000212269 [0,1,0,0,0,0|3,0,0]=4 1582 B10R0.33 CCOC(=O)C(CC)SCC 62a_100000212269_100000210202 [0,1,0,0,0,0|3,0,0]=4 1583 B10R0.33 CCOC(=O)C(NC)OCC 34a_100102657272_100000033883 [0,1,0,0,0,0|3,0,0]=4 1584 B10R0.33 CCOC(=O)C(OC)OCC 34a_100138415774_100000033883 [0,1,0,0,0,0|2,0,0]=3 1585 B10R0.33 CCOC(=O)C(OCC)SC 34a_100121572206_100009893047 [0,1,0,0,0,0|2,1,0]=4 1586 B10R0.33 CCOC(=O)C(OCC)SC 62a_100000033883_200000210301 [0,1,0,0,0,0|2,1,0]=4 1587 B10R0.33 CCOC(=O)C(OCC)SC 62a_200000210301_100000033883 [0,1,0,0,0,0|2,1,0]=4 1588 B10R0.33 CCOC(=O)C(OCC)S[13CH3] 62a_100000033883_200025704644 [0,1,0,0,0,0|2,1,0]=4 1589 B10R0.33 CCOC(=O)C(OCC)S[13CH3] 62a_200025704644_100000033883 [0,1,0,0,0,0|2,1,0]=4 1590 B10R0.33 CCOC(=O)C(SC)SCC 62a_100000210202_100009893047 [0,1,0,0,0,0|2,1,0]=4 1591 B10R0.33 CCOC(=O)C(SC)SCC 62a_100009893047_100000210202 [0,1,0,0,0,0|2,1,0]=4 1592 B10R0.35 C#CC(C)C(=O)C(C)CCC 1458a_100000210906_200000035995 [0,1,0,0,0,0|1,0,2]=4 1593 B10R0.35 C#CC(C)C(=O)[C@@H](O)CCC 1458a_100009822183_200000035995 [0,1,0,0,0,0|0,0,2]=3 1594 B10R0.35 C#CCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000184674 [0,1,0,0,0,0|1,0,2]=4 1595 B10R0.35 C/C=C(\C)/C(=O)C(C)CCC 1458a_100020587367_100000766640 [0,1,0,0,0,0|1,0,2]=4 1596 B10R0.35 C=CC(C)C(=O)C(C)CCC 1458a_100011216780_100000766640 [0,1,0,0,0,0|1,0,2]=4 1597 B10R0.35 C=CCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210623 [0,1,0,0,0,0|1,0,2]=4 1598 B10R0.35 C=CCC(C)C(=O)C(C)CC 1458a_100011216819_100000758301 [0,1,0,0,0,0|1,0,2]=4 1599 B10R0.35 CC(CCO)C(=O)C(O)CO 1458a_100011215603_100009893172 [0,1,0,0,0,0|3,0,0]=4 1600 B10R0.35 CC/C=C(\C)/C(=O)C(C)CC 1458a_100016988807_100000758301 [0,1,0,0,0,0|1,0,2]=4 1601 B10R0.35 CCC(=O)C(C)C(=O)CCO 1458a_100011216618_100000742827 [0,1,0,0,0,0|2,0,1]=4 1602 B10R0.35 CCC(=O)C(C)C(=O)COC 1458a_100000210968_100000742827 [0,1,0,0,0,0|2,0,1]=4 1603 B10R0.35 CCC(=O)C(C)C(=O)CSC 1458a_100000184570_100000742827 [0,1,0,0,0,0|2,0,1]=4 1604 B10R0.35 CCC(C)C(=O)C(C)CC#N 1458a_100011192722_100009813641 [0,1,0,0,0,0|2,0,1]=4 1605 B10R0.35 CCC(C)C(=O)C(C)CCO 1458a_100011192722_100009893172 [0,1,0,0,0,0|2,0,0]=3 1606 B10R0.35 CCC(C)C(=O)C(C)COC 1458a_100000751857_100000758301 [0,1,0,0,0,0|2,0,0]=3 1607 B10R0.35 CCC(C)C(=O)C(C)COC 1458a_100011192722_100000765312 [0,1,0,0,0,0|2,0,0]=3 1608 B10R0.35 CCC(C)C(=O)C(C)CSC 1458a_100000753918_100000758301 [0,1,0,0,0,0|2,0,0]=3 1609 B10R0.35 CCC(C)C(=O)N(C)CCO 240690a_100000210263_100011192722 [0,1,0,0,0,0|3,0,0]=4 1610 B10R0.35 CCC(C)C(=O)N(C)CCO 527a_100000210263_100011192722 [0,1,0,0,0,0|3,0,0]=4 1611 B10R0.35 CCC(C)N(C)C(=O)CCO 240690a_100000741768_100011216618 [0,1,0,0,0,0|3,0,0]=4 1612 B10R0.35 CCC(C)N(C)C(=O)COC 11a_100000741768_100000210968 [0,1,0,0,0,0|3,0,0]=4 1613 B10R0.35 CCC(C)N(C)C(=O)COC 1626a_100000741768_100000210968 [0,1,0,0,0,0|3,0,0]=4 1614 B10R0.35 CCC(C)N(C)C(=O)COC 240690a_100000741768_100000210968 [0,1,0,0,0,0|3,0,0]=4 1615 B10R0.35 CCC(C)N(C)C(=O)COC 527a_100000741768_100000210968 [0,1,0,0,0,0|3,0,0]=4 1616 B10R0.35 CCC(C)N(C)C(=O)CSC 11a_100000741768_100000184570 [0,1,0,0,0,0|3,0,0]=4 1617 B10R0.35 CCC(C)N(C)C(=O)CSC 1626a_100000741768_100000184570 [0,1,0,0,0,0|3,0,0]=4 1618 B10R0.35 CCC(C)N(C)C(=O)CSC 240690a_100000741768_100000184570 [0,1,0,0,0,0|3,0,0]=4 1619 B10R0.35 CCC(C)N(C)C(=O)CSC 527a_100000741768_100000184570 [0,1,0,0,0,0|3,0,0]=4 1620 B10R0.35 CCC(O)C(=O)C(C)CC#N 1458a_100011196387_100009813641 [0,1,0,0,0,0|2,0,1]=4 1621 B10R0.35 CCC(O)C(=O)C(C)CCO 1458a_100011196387_100009893172 [0,1,0,0,0,0|2,0,0]=3 1622 B10R0.35 CCC(O)C(=O)C(C)COC 1458a_100011196387_100000765312 [0,1,0,0,0,0|2,0,0]=3 1623 B10R0.35 CCC(O)C(=O)N(C)CCO 240690a_100000210263_100011196387 [0,1,0,0,0,0|3,0,0]=4 1624 B10R0.35 CCCC(=O)C(C)C(=O)CC 1458a_100000211992_100000742827 [0,1,0,0,0,0|1,0,1]=3 1625 B10R0.35 CCCC(=O)C(C)C(=O)NC 1458a_100000211992_100000209862 [0,1,0,0,0,0|2,0,1]=4 1626 B10R0.35 CCCC(=O)C(C)C(=O)OC 1458a_100000211992_100000211248 [0,1,0,0,0,0|2,0,1]=4 1627 B10R0.35 CCCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210303 [0,1,0,0,0,0|2,0,1]=4 1628 B10R0.35 CCCC(=O)C(C)N(C)CC 1458a_100011281945_100000210303 [0,1,0,0,0,0|2,0,0]=3 1629 B10R0.35 CCCC(=O)C(F)C(=O)NC 1458a_100000211992_100009813575 [0,1,0,0,0,0|2,0,1]=4 1630 B10R0.35 CCCC(=O)N(C)C(C)CC 11a_100000741768_100000211992 [0,1,0,0,0,0|2,0,0]=3 1631 B10R0.35 CCCC(=O)N(C)C(C)CC 1626a_100000741768_100000211992 [0,1,0,0,0,0|2,0,0]=3 1632 B10R0.35 CCCC(=O)N(C)C(C)CC 240690a_100000741768_100000211992 [0,1,0,0,0,0|2,0,0]=3 1633 B10R0.35 CCCC(=O)N(C)C(C)CC 527a_100000741768_100000211992 [0,1,0,0,0,0|2,0,0]=3 1634 B10R0.35 CCCC(=O)N(C)C(C)CO 240690a_100000693034_100000211992 [0,1,0,0,0,0|3,0,0]=4 1635 B10R0.35 CCCC(=O)N(C)C(C)CO 527a_100000693034_100000211992 [0,1,0,0,0,0|3,0,0]=4 1636 B10R0.35 CCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210303 [0,1,0,0,0,0|1,0,0]=2 1637 B10R0.35 CCCC(C)C(=O)C(=O)NC 1458a_100011218921_100000766640 [0,1,0,0,0,0|2,0,1]=4 1638 B10R0.35 CCCC(C)C(=O)C(C)C#N 1458a_100000210906_100000703298 [0,1,0,0,0,0|2,0,1]=4 1639 B10R0.35 CCCC(C)C(=O)C(C)C#N 1458a_100000753662_100000766640 [0,1,0,0,0,0|2,0,1]=4 1640 B10R0.35 CCCC(C)C(=O)C(C)CC 1458a_100000210906_100000758301 [0,1,0,0,0,0|1,0,0]=2 1641 B10R0.35 CCCC(C)C(=O)C(C)CC 1458a_100011192722_100000766640 [0,1,0,0,0,0|1,0,0]=2 1642 B10R0.35 CCCC(C)C(=O)C(C)OC 1458a_100000743197_100000766640 [0,1,0,0,0,0|2,0,0]=3 1643 B10R0.35 CCCC(C)C(=O)C(C)SC 1458a_100000149566_100000766640 [0,1,0,0,0,0|2,0,0]=3 1644 B10R0.35 CCCC(C)C(=O)C(O)CC 1458a_100011196387_100000766640 [0,1,0,0,0,0|1,0,0]=2 1645 B10R0.35 CCCC(C)C(=O)C(O)CO 1458a_100011215603_100000766640 [0,1,0,0,0,0|2,0,0]=3 1646 B10R0.35 CCCC(C)C(=O)N(C)CC 11a_100000225621_100000210906 [0,1,0,0,0,0|2,0,0]=3 1647 B10R0.35 CCCC(C)C(=O)N(C)CC 1626a_100000225621_100000210906 [0,1,0,0,0,0|2,0,0]=3 1648 B10R0.35 CCCC(C)C(=O)N(C)CC 240690a_100000225621_100000210906 [0,1,0,0,0,0|2,0,0]=3 1649 B10R0.35 CCCC(C)C(=O)N(C)CC 527a_100000225621_100000210906 [0,1,0,0,0,0|2,0,0]=3 1650 B10R0.35 CCCC(C)N(C)C(C)CC 2230a_100000741768_100000766640 [0,1,0,0,0,0|3,0,0]=4 1651 B10R0.35 CCCC(C)N(C)C(C)CC 269982a_100000741768_100000766640 [0,1,0,0,0,0|3,0,0]=4 1652 B10R0.35 CCCC(C)N(C)C(C)CC 270004a_100000741768_100000211909 [0,1,0,0,0,0|3,0,0]=4 1653 B10R0.35 CCCN(C)C(=O)C(C)CC 11a_100000747261_100011192722 [0,1,0,0,0,0|2,0,0]=3 1654 B10R0.35 CCCN(C)C(=O)C(C)CC 1626a_100000747261_100011192722 [0,1,0,0,0,0|2,0,0]=3 1655 B10R0.35 CCCN(C)C(=O)C(C)CC 240690a_100000747261_100011192722 [0,1,0,0,0,0|2,0,0]=3 1656 B10R0.35 CCCN(C)C(=O)C(C)CC 527a_100000747261_100011192722 [0,1,0,0,0,0|2,0,0]=3 1657 B10R0.35 CCCN(C)C(=O)C(C)OC 11a_100000747261_100000743197 [0,1,0,0,0,0|3,0,0]=4 1658 B10R0.35 CCCN(C)C(=O)C(C)OC 1626a_100000747261_100000743197 [0,1,0,0,0,0|3,0,0]=4 1659 B10R0.35 CCCN(C)C(=O)C(C)OC 240690a_100000747261_100000743197 [0,1,0,0,0,0|3,0,0]=4 1660 B10R0.35 CCCN(C)C(=O)C(C)OC 527a_100000747261_100000743197 [0,1,0,0,0,0|3,0,0]=4 1661 B10R0.35 CCCN(C)C(=O)C(C)SC 11a_100000747261_100000149566 [0,1,0,0,0,0|3,0,0]=4 1662 B10R0.35 CCCN(C)C(=O)C(C)SC 1626a_100000747261_100000149566 [0,1,0,0,0,0|3,0,0]=4 1663 B10R0.35 CCCN(C)C(=O)C(C)SC 240690a_100000747261_100000149566 [0,1,0,0,0,0|3,0,0]=4 1664 B10R0.35 CCCN(C)C(=O)C(C)SC 527a_100000747261_100000149566 [0,1,0,0,0,0|3,0,0]=4 1665 B10R0.35 CCCN(C)C(=O)C(O)CC 240690a_100000747261_100011196387 [0,1,0,0,0,0|2,0,0]=3 1666 B10R0.35 CCCN(C)C(=O)C(O)CO 240690a_100000747261_100011215603 [0,1,0,0,0,0|3,0,0]=4 1667 B10R0.35 CCCN(C)C(C)C(C)CC 270004a_100000747261_100000210599 [0,1,0,0,0,0|3,0,0]=4 1668 B10R0.35 CCC[C@H](O)C(=O)C(C)C#N 1458a_100009822183_100000703298 [0,1,0,0,0,0|1,0,1]=3 1669 B10R0.35 CCC[C@H](O)C(=O)C(C)CC 1458a_100009822183_100000758301 [0,1,0,0,0,0|0,0,0]=1 1670 B10R0.35 CCC[C@H](O)C(=O)N(C)CC 240690a_100000225621_100009822183 [0,1,0,0,0,0|1,0,0]=2 1671 B10R0.35 CCN(C)C(=O)C(C)COC 11a_100000225621_100000751857 [0,1,0,0,0,0|3,0,0]=4 1672 B10R0.35 CCN(C)C(=O)C(C)COC 1626a_100000225621_100000751857 [0,1,0,0,0,0|3,0,0]=4 1673 B10R0.35 CCN(C)C(=O)C(C)COC 240690a_100000225621_100000751857 [0,1,0,0,0,0|3,0,0]=4 1674 B10R0.35 CCN(C)C(=O)C(C)COC 527a_100000225621_100000751857 [0,1,0,0,0,0|3,0,0]=4 1675 B10R0.35 CCN(C)C(=O)C(C)CSC 11a_100000225621_100000753918 [0,1,0,0,0,0|3,0,0]=4 1676 B10R0.35 CCN(C)C(=O)C(C)CSC 1626a_100000225621_100000753918 [0,1,0,0,0,0|3,0,0]=4 1677 B10R0.35 CCN(C)C(=O)C(C)CSC 240690a_100000225621_100000753918 [0,1,0,0,0,0|3,0,0]=4 1678 B10R0.35 CCN(C)C(=O)C(C)CSC 527a_100000225621_100000753918 [0,1,0,0,0,0|3,0,0]=4 1679 B10R0.35 CCN(C)C(C)C(=O)CCF 1458a_100011281945_100011217306 [0,1,0,0,0,0|3,0,0]=4 1680 B10R0.35 CCN(C)C(C)C(=O)CCO 1458a_100011281945_100000211926 [0,1,0,0,0,0|3,0,0]=4 1681 B10R0.35 CCNC(=O)C(=O)C(C)CC 1458a_200011297158_100000758301 [0,1,0,0,0,0|1,0,2]=4 1682 B10R0.35 CCNC(=O)C(C)C(=O)CC 1458a_100000210414_100000230173 [0,1,0,0,0,0|2,0,1]=4 1683 B10R0.35 CCNC(=O)C(C)N(C)CC 2230a_100000225621_100000230173 [0,1,0,0,0,0|3,0,0]=4 1684 B10R0.35 CCNC(=O)C(C)N(C)CC 240690a_100015525214_100011281945 [0,1,0,0,0,0|3,0,0]=4 1685 B10R0.35 CCNC(=O)C(C)N(C)CC 269982a_100000225621_100000230173 [0,1,0,0,0,0|3,0,0]=4 1686 B10R0.35 CCNC(=O)C(C)N(C)CC 527a_100015525214_100011281945 [0,1,0,0,0,0|3,0,0]=4 1687 B10R0.35 CCNC(=O)N(C)C(C)CC 2708a_100015525214_100000741768 [0,1,0,0,0,0|3,0,0]=4 1688 B10R0.35 CCNC(=O)N(C)C(C)CC 273464a_100015525214_100000741768 [0,1,0,0,0,0|3,0,0]=4 1689 B10R0.35 CCNC(=O)[C@H](O)[C@H](O)CO 240690a_100015525214_100015448053 [0,1,0,0,0,0|2,0,0]=3 1690 B10R0.35 CCNC(C)C(=O)N(C)CC 2230a_100015525214_200012002205 [0,1,0,0,0,0|3,0,0]=4 1691 B10R0.35 CCOC(=O)C(C)C(=O)CC 1458a_100000210414_100011216346 [0,1,0,0,0,0|2,0,1]=4 1692 B10R0.35 CCOC(=O)C(C)C(=O)CC 1458a_100132301724_100000210202 [0,1,0,0,0,0|2,0,1]=4 1693 B10R0.35 CCOC(=O)C(C)N(C)CC 2230a_100000225621_100011215307 [0,1,0,0,0,0|3,0,0]=4 1694 B10R0.35 CCOC(=O)C(C)N(C)CC 269982a_100000225621_100011216346 [0,1,0,0,0,0|3,0,0]=4 1695 B10R0.35 CCOC(=O)C(F)C(=O)CC 1458a_100000210414_100000760018 [0,1,0,0,0,0|2,0,1]=4 1696 B10R0.35 CCOC(=O)C(F)N(C)CC 2230a_100000225621_100000760018 [0,1,0,0,0,0|3,0,0]=4 1697 B10R0.35 CCOC(=O)C(F)N(C)CC 269982a_100000225621_100000760018 [0,1,0,0,0,0|3,0,0]=4 1698 B10R0.35 CCOC(C)C(=O)C(C)CC 1458a_100000739345_100000758301 [0,1,0,0,0,0|2,0,0]=3 1699 B10R0.35 CCOC(C)C(=O)N(C)CC 11a_100000225621_100000739345 [0,1,0,0,0,0|3,0,0]=4 1700 B10R0.35 CCOC(C)C(=O)N(C)CC 1626a_100000225621_100000739345 [0,1,0,0,0,0|3,0,0]=4 1701 B10R0.35 CCOC(C)C(=O)N(C)CC 240690a_100000225621_100000739345 [0,1,0,0,0,0|3,0,0]=4 1702 B10R0.35 CCOC(C)C(=O)N(C)CC 34a_100121572206_200012002205 [0,1,0,0,0,0|3,0,0]=4 1703 B10R0.35 CCOC(C)C(=O)N(C)CC 527a_100000225621_100000739345 [0,1,0,0,0,0|3,0,0]=4 1704 B10R0.35 CCSC(C)C(=O)C(C)CC 1458a_100000230601_100000758301 [0,1,0,0,0,0|2,0,0]=3 1705 B10R0.35 CCSC(C)C(=O)N(C)CC 11a_100000225621_100000230601 [0,1,0,0,0,0|3,0,0]=4 1706 B10R0.35 CCSC(C)C(=O)N(C)CC 1626a_100000225621_100000230601 [0,1,0,0,0,0|3,0,0]=4 1707 B10R0.35 CCSC(C)C(=O)N(C)CC 240690a_100000225621_100000230601 [0,1,0,0,0,0|3,0,0]=4 1708 B10R0.35 CCSC(C)C(=O)N(C)CC 527a_100000225621_100000230601 [0,1,0,0,0,0|3,0,0]=4 1709 B10R0.35 CCSC(C)C(=O)N(C)CC 62a_100000210202_200012002205 [0,1,0,0,0,0|3,0,0]=4 1710 B10R0.35 CCSC(C)C(=O)N(C)CC 62a_200012002205_100000210202 [0,1,0,0,0,0|3,0,0]=4 1711 B10R0.35 COC(C)C(=O)C(C)CCO 1458a_100000743197_100009893172 [0,1,0,0,0,0|3,0,0]=4 1712 B10R0.35 COCC(C)C(=O)C(C)OC 1458a_100000743197_100000765312 [0,1,0,0,0,0|3,0,0]=4 1713 B10R0.35 COCC(C)C(=O)C(C)SC 1458a_100000149566_100000765312 [0,1,0,0,0,0|3,0,0]=4 1714 B10R0.35 COCC(C)C(=O)C(O)CO 1458a_100011215603_100000765312 [0,1,0,0,0,0|3,0,0]=4 1715 B10R0.35 CSC(C)C(=O)C(C)CCO 1458a_100000149566_100009893172 [0,1,0,0,0,0|3,0,0]=4 1716 B10R0.35 N#CCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100011214920 [0,1,0,0,0,0|2,0,1]=4 1717 B10R0.35 O=C(CCF)[C@H](O)[C@H](O)CO 1458a_100015448053_100011217306 [0,1,0,0,0,0|2,0,0]=3 1718 B10R0.35 O=C(CCO)[C@H](O)[C@H](O)CO 1458a_100015448053_100000211926 [0,1,0,0,0,0|2,0,0]=3 1719 B10R0.129 C#CCC(=O)C(C)(C)CCC 1458a_100011215034_100000184674 [0,1,0,0,0,0|1,0,2]=4 1720 B10R0.129 C=CCC(=O)C(C)(C)CCC 1458a_100011215034_100000210623 [0,1,0,0,0,0|1,0,2]=4 1721 B10R0.129 C=CCC(C)(C)C(=O)CCC 1458a_100000705796_100000210303 [0,1,0,0,0,0|1,0,2]=4 1722 B10R0.129 C=CCC(F)(F)C(=O)CCC 1458a_100000062105_100000210303 [0,1,0,0,0,0|1,0,2]=4 1723 B10R0.129 CCCC(=O)C(C)(C)CCC 1458a_100011215034_100000210303 [0,1,0,0,0,0|1,0,0]=2 1724 B10R0.129 CCCC(=O)C(C)(C)OCC 1458a_100011458965_100000210303 [0,1,0,0,0,0|2,0,0]=3 1725 B10R0.129 CCCC(C)(C)C(=O)CC#N 1458a_100011215034_100011214920 [0,1,0,0,0,0|2,0,1]=4 1726 B10R0.129 CCCC(C)(C)C(=O)CCF 1458a_100011215034_100011217306 [0,1,0,0,0,0|2,0,0]=3 1727 B10R0.129 CCCC(C)(C)C(=O)CCO 1458a_100011215034_100000211926 [0,1,0,0,0,0|2,0,0]=3 1728 B10R0.129 CCCC(C)(C)C(=O)NCC 11a_100015525214_100011215034 [0,1,0,0,0,0|2,0,0]=3 1729 B10R0.129 CCCC(C)(C)C(=O)NCC 240690a_100015525214_100011215034 [0,1,0,0,0,0|2,0,0]=3 1730 B10R0.129 CCCC(C)(C)C(=O)NCC 527a_100015525214_100011215034 [0,1,0,0,0,0|2,0,0]=3 1731 B10R0.129 CCCC(C)(C)C(=O)NNC 22a_100016993582_100011215034 [0,1,0,0,0,0|3,0,0]=4 1732 B10R0.129 CCCC(C)S(=O)(=O)NCC 270084a_100015525214_100000718301 [0,1,0,0,0,0|3,0,0]=4 1733 B10R0.129 CCCC(C)S(=O)(=O)NCC 274078a_100015525214_100000718301 [0,1,0,0,0,0|3,0,0]=4 1734 B10R0.129 CCCN(C)S(=O)(=O)CCC 270084a_100000747261_100000211391 [0,1,0,0,0,0|3,0,0]=4 1735 B10R0.129 CCCN(C)S(=O)(=O)CCC 274078a_100000747261_100000211391 [0,1,0,0,0,0|3,0,0]=4 1736 B10R0.129 CCCN(C)S(=O)(=O)CCC 40a_100000747261_100000054278 [0,1,0,0,0,0|3,0,0]=4 1737 B10R0.129 CCNC(=O)C(C)(C)CSC 62a_100011895991_200000210301 [0,1,0,0,0,0|3,0,0]=4 1738 B10R0.129 CCNC(=O)C(C)(C)CSC 62a_200000210301_100011895991 [0,1,0,0,0,0|3,0,0]=4 1739 B10R0.129 CCNC(=O)C(C)(C)CS[13CH3] 62a_100011895991_200025704644 [0,1,0,0,0,0|3,0,0]=4 1740 B10R0.129 CCNC(=O)C(C)(C)CS[13CH3] 62a_200025704644_100011895991 [0,1,0,0,0,0|3,0,0]=4 1741 B10R0.129 CCNC(=O)C(C)(C)OCC 11a_100015525214_100011458965 [0,1,0,0,0,0|3,0,0]=4 1742 B10R0.129 CCNC(=O)C(C)(C)OCC 240690a_100015525214_100011458965 [0,1,0,0,0,0|3,0,0]=4 1743 B10R0.129 CCNC(=O)C(C)(C)OCC 527a_100015525214_100011458965 [0,1,0,0,0,0|3,0,0]=4 1744 B10R0.129 CCNC(C)(C)C(=O)OCC 2230a_100015525214_100011216345 [0,1,0,0,0,0|3,0,0]=4 1745 B10R0.129 CCOC(=O)C(C)(C)CNC 2230a_106832991635_100011219049 [0,1,0,0,0,0|3,0,0]=4 1746 B10R0.129 CCOC(=O)C(C)(C)COC 7a_100011765865_200000210301 [0,1,0,0,0,0|3,0,0]=4 1747 B10R0.129 CCOC(=O)C(C)(C)CO[13CH3] 7a_100011765865_200025704644 [0,1,0,0,0,0|3,0,0]=4 1748 B10R0.129 CCOC(=O)C(C)(C)CSC 62a_100011219049_200000210301 [0,1,0,0,0,0|3,0,0]=4 1749 B10R0.129 CCOC(=O)C(C)(C)CSC 62a_200000210301_100011219049 [0,1,0,0,0,0|3,0,0]=4 1750 B10R0.129 CCOC(=O)C(C)(C)CS[13CH3] 62a_100011219049_200025704644 [0,1,0,0,0,0|3,0,0]=4 1751 B10R0.129 CCOC(=O)C(C)(C)CS[13CH3] 62a_200025704644_100011219049 [0,1,0,0,0,0|3,0,0]=4 1752 B10R0.129 CCOC(=O)C(C)(C)OCC 34a_100000686869_100000210202 [0,1,0,0,0,0|3,0,0]=4 1753 B10R0.129 CCOC(=O)C(C)(C)OCC 7a_100000686869_100000210202 [0,1,0,0,0,0|3,0,0]=4 1754 B10R0.129 CCOC(=O)C(C)(C)SCC 62a_100000210202_100011216345 [0,1,0,0,0,0|3,0,0]=4 1755 B10R0.129 CCOC(=O)C(C)(C)SCC 62a_100011216345_100000210202 [0,1,0,0,0,0|3,0,0]=4 1756 B10R0.129 CCOC(=O)C(F)(F)CNC 34a_100102657272_100009817193 [0,1,0,0,0,0|3,0,0]=4 1757 B10R0.129 CCOC(=O)C(F)(F)COC 34a_100138415774_100009817193 [0,1,0,0,0,0|3,0,0]=4 1758 B10R0.129 CCOC(=O)C(F)(F)CSC 62a_100009817193_200000210301 [0,1,0,0,0,0|3,0,0]=4 1759 B10R0.129 CCOC(=O)C(F)(F)CSC 62a_200000210301_100009817193 [0,1,0,0,0,0|3,0,0]=4 1760 B10R0.129 CCOC(=O)C(F)(F)CS[13CH3] 62a_100009817193_200025704644 [0,1,0,0,0,0|3,0,0]=4 1761 B10R0.129 CCOC(=O)C(F)(F)CS[13CH3] 62a_200025704644_100009817193 [0,1,0,0,0,0|3,0,0]=4 1762 B10R0.129 CCOC(=O)C(F)(F)OCC 34a_100121572206_100000210910 [0,1,0,0,0,0|3,0,0]=4 1763 B10R0.129 CCOC(=O)C(F)(F)SCC 62a_100000210202_100000210910 [0,1,0,0,0,0|3,0,0]=4 1764 B10R0.129 CCOC(=O)C(F)(F)SCC 62a_100000210910_100000210202 [0,1,0,0,0,0|3,0,0]=4 1765 B10R0.129 CCOC(C)(C)C(=O)CCF 1458a_100011458965_100011217306 [0,1,0,0,0,0|3,0,0]=4 1766 B10R0.129 CCOC(C)(C)C(=O)CCO 1458a_100011458965_100000211926 [0,1,0,0,0,0|3,0,0]=4 1767 B10R1.2 CCN1CCNC(=O)C1C 2230a_100000750721_100000210202 [0,0,0,1,0,0|3,0,0]=4 1768 B10R1.2 CCN1CCNC(=O)C1C 269982a_100000750721_100000204670 [0,0,0,1,0,0|3,0,0]=4 1769 B10R1.2 CCN1CCNC(=O)C1C 34a_100000750721_100000210202 [0,0,0,1,0,0|3,0,0]=4 1770 B10R1.4 CCCC1CCCCN1C 2230a_100000701414_200000210301 [0,0,0,1,0,0|3,0,0]=4 1771 B10R1.4 CCCC1CCCCN1C 269982a_100000701414_200000210301 [0,0,0,1,0,0|3,0,0]=4 1772 B10R1.4 CCCC1CCCCN1C 34a_100000701414_200000210301 [0,0,0,1,0,0|3,0,0]=4 1773 B10R1.4 CCCC1CCCCN1[13CH3] 2230a_100000701414_200025704644 [0,0,0,1,0,0|3,0,0]=4 1774 B10R1.4 CCCC1CCCCN1[13CH3] 269982a_100000701414_200025704644 [0,0,0,1,0,0|3,0,0]=4 1775 B10R1.4 CCCC1CCCCN1[13CH3] 34a_100000701414_200025704644 [0,0,0,1,0,0|3,0,0]=4 1776 B10R1.4 CCCN1CCCCC1C 2230a_100000211376_100000210303 [0,0,0,1,0,0|3,0,0]=4 1777 B10R1.4 CCCN1CCCCC1C 269982a_100000211376_100000210303 [0,0,0,1,0,0|3,0,0]=4 1778 B10R1.4 CCCN1CCCCC1C 34a_100000211376_100000210303 [0,0,0,1,0,0|3,0,0]=4 1779 B10R1.4 CCNC1CCCNC1=O 2230a_100000747585_100000210202 [0,0,0,1,0,0|3,0,0]=4 1780 B10R1.4 CCNC1CCCNC1=O 2230a_100015525214_100000687798 [0,0,0,1,0,0|3,0,0]=4 1781 B10R1.4 CCNC1CCCNC1=O 34a_100000747585_100000210202 [0,0,0,1,0,0|3,0,0]=4 1782 B10R1.4 CCOC1CCCCC1=O 34a_100011214950_100000210202 [0,0,0,1,0,0|2,0,0]=3 1783 B10R1.4 CCOC1CCCCC1=O 34a_100121572206_100000754470 [0,0,0,1,0,0|2,0,0]=3 1784 B10R1.4 CCOC1CCCCC1O 34a_100121572206_100000038908 [0,0,0,1,0,0|2,0,1]=4 1785 B10R1.4 CCOC1CCCNC1=O 34a_100000073722_100000210202 [0,0,0,1,0,0|3,0,0]=4 1786 B10R1.4 CCOC1CCCNC1=O 34a_100121572206_100000687798 [0,0,0,1,0,0|3,0,0]=4 1787 B10R1.4 CCOC1COCCC1=O 34a_100121572206_100012180262 [0,0,0,1,0,0|3,0,0]=4 1788 B10R1.4 CCSC1CCCCC1=O 62a_100000204591_100000210202 [0,0,0,1,0,0|2,0,0]=3 1789 B10R1.4 CCSC1CCCCC1=O 62a_100000210202_100000204591 [0,0,0,1,0,0|2,0,0]=3 1790 B10R1.4 CCSC1CCCCC1O 62a_100000038908_100000210202 [0,0,0,1,0,0|2,0,1]=4 1791 B10R1.4 CCSC1CCCCC1O 62a_100000210202_100000038908 [0,0,0,1,0,0|2,0,1]=4 1792 B10R1.4 CCSC1CCCNC1=O 62a_100000210202_100000687798 [0,0,0,1,0,0|3,0,0]=4 1793 B10R1.4 CCSC1CCCNC1=O 62a_100000687798_100000210202 [0,0,0,1,0,0|3,0,0]=4 1794 B10R1.4 CCSC1COCCC1=O 62a_100000210202_100012180262 [0,0,0,1,0,0|3,0,0]=4 1795 B10R1.4 CCSC1COCCC1=O 62a_100012180262_100000210202 [0,0,0,1,0,0|3,0,0]=4 1796 B10R1.4 CNCC1CCCCC1O 34a_100011216029_200000210301 [0,0,0,1,0,0|2,0,1]=4 1797 B10R1.4 COCC1CCCCC1=O 34a_100009861125_200000210301 [0,0,0,1,0,0|2,0,0]=3 1798 B10R1.4 COCC1CCCCC1=O 7a_100009861125_200000210301 [0,0,0,1,0,0|2,0,0]=3 1799 B10R1.4 O=C1CCCCC1OCF 34a_100011214950_100015361967 [0,0,0,1,0,0|3,0,0]=4 1800 B10R1.4 O=C1CCCCC1SCF 62a_100000204591_100015361967 [0,0,0,1,0,0|3,0,0]=4 1801 B10R1.4 O=C1CCCCC1SCF 62a_100015361967_100000204591 [0,0,0,1,0,0|3,0,0]=4 1802 B10R1.4 [13CH3]NCC1CCCCC1O 34a_100011216029_200025704644 [0,0,0,1,0,0|2,0,1]=4 1803 B10R1.4 [13CH3]OCC1CCCCC1=O 34a_100009861125_200025704644 [0,0,0,1,0,0|2,0,0]=3 1804 B10R1.4 [13CH3]OCC1CCCCC1=O 7a_100009861125_200025704644 [0,0,0,1,0,0|2,0,0]=3 1805 B10R1.11 C#CCC(=O)C1CCCC1 1458a_100000210718_100000184674 [0,0,0,1,0,0|1,0,2]=4 1806 B10R1.11 C#CCC(=O)C1CCCC1 1458a_100011220946_100000179811 [0,0,0,1,0,0|1,0,2]=4 1807 B10R1.11 C#CCC(=O)C1CCCS1 1458a_100012002731_100000184674 [0,0,0,1,0,0|0,1,2]=4 1808 B10R1.11 C#CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000184674 [0,0,0,1,0,0|0,0,2]=3 1809 B10R1.11 C=CCC(=O)C1CCCC1 1458a_100000210193_100000179811 [0,0,0,1,0,0|1,0,2]=4 1810 B10R1.11 C=CCC(=O)C1CCCC1 1458a_100000210718_100000210623 [0,0,0,1,0,0|1,0,2]=4 1811 B10R1.11 C=CCC(=O)C1CCCS1 1458a_100012002731_100000210623 [0,0,0,1,0,0|0,1,2]=4 1812 B10R1.11 C=CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210623 [0,0,0,1,0,0|0,0,2]=3 1813 B10R1.11 CC#CC(=O)C1CCCC1 1458a_100000763181_100000179811 [0,0,0,1,0,0|1,0,2]=4 1814 B10R1.11 CC=CC(=O)C1CCCC1 1458a_100000210699_100000179811 [0,0,0,1,0,0|1,0,2]=4 1815 B10R1.11 CCCC(=O)C1=CCCC1 1458a_100000038896_100000210303 [0,0,0,1,0,0|1,0,1]=3 1816 B10R1.11 CCCC(=O)C1=CCOC1 1458a_100000139269_100000210303 [0,0,0,1,0,0|2,0,1]=4 1817 B10R1.11 CCCC(=O)C1=COCC1 1458a_100000750620_100000210303 [0,0,0,1,0,0|2,0,1]=4 1818 B10R1.11 CCCC(=O)C1CC=CC1 1458a_100000759439_100000210303 [0,0,0,1,0,0|1,0,2]=4 1819 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000210718_100000210303 [0,0,0,1,0,0|1,0,0]=2 1820 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000211992_100000179811 [0,0,0,1,0,0|1,0,0]=2 1821 B10R1.11 CCCC(=O)C1CCCS1 1458a_100012002731_100000210303 [0,0,0,1,0,0|0,1,0]=2 1822 B10R1.11 CCCC(=O)C1CCOC1 1458a_100000211992_100000690089 [0,0,0,1,0,0|2,0,0]=3 1823 B10R1.11 CCCC(=O)C1CCOC1 1458a_100011219752_100000210303 [0,0,0,1,0,0|2,0,0]=3 1824 B10R1.11 CCCC(=O)N1CCCC1 240690a_100000188435_100000211992 [0,0,0,1,0,0|2,0,0]=3 1825 B10R1.11 CCCC(=O)N1CCCC1 527a_100000188435_100000211992 [0,0,0,1,0,0|2,0,0]=3 1826 B10R1.11 CCCC(=O)N1CCSC1 11a_100011215254_100000211992 [0,0,0,1,0,0|3,0,0]=4 1827 B10R1.11 CCCC(=O)N1CCSC1 240690a_100011215254_100000211992 [0,0,0,1,0,0|3,0,0]=4 1828 B10R1.11 CCCC(=O)N1CCSC1 527a_100011215254_100000211992 [0,0,0,1,0,0|3,0,0]=4 1829 B10R1.11 CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210303 [0,0,0,1,0,0|0,0,0]=1 1830 B10R1.11 CCCC(C)N1CCCC1 2230a_100000188435_100000766640 [0,0,0,1,0,0|3,0,0]=4 1831 B10R1.11 CCCC(C)N1CCCC1 269982a_100000188435_100000766640 [0,0,0,1,0,0|3,0,0]=4 1832 B10R1.11 CCCC(C)N1CCCC1 270004a_100000188435_100000211909 [0,0,0,1,0,0|3,0,0]=4 1833 B10R1.11 CCCN(C)C1CCCC1 2230a_100000201646_200000210301 [0,0,0,1,0,0|3,0,0]=4 1834 B10R1.11 CCCN(C)C1CCCC1 2230a_100000207505_100000210303 [0,0,0,1,0,0|3,0,0]=4 1835 B10R1.11 CCCN(C)C1CCCC1 2230a_100000747261_100000179811 [0,0,0,1,0,0|3,0,0]=4 1836 B10R1.11 CCCN(C)C1CCCC1 269982a_100000201646_200000210301 [0,0,0,1,0,0|3,0,0]=4 1837 B10R1.11 CCCN(C)C1CCCC1 269982a_100000207505_100000210303 [0,0,0,1,0,0|3,0,0]=4 1838 B10R1.11 CCCN(C)C1CCCC1 269982a_100000747261_100000179811 [0,0,0,1,0,0|3,0,0]=4 1839 B10R1.11 CCCN(C)C1CCCC1 270004a_100000747261_100000210133 [0,0,0,1,0,0|3,0,0]=4 1840 B10R1.11 CCCN(C)C1CCCC1 34a_100000201646_200000210301 [0,0,0,1,0,0|3,0,0]=4 1841 B10R1.11 CCCN(C)C1CCCC1 34a_100000207505_100000210303 [0,0,0,1,0,0|3,0,0]=4 1842 B10R1.11 CCCN([13CH3])C1CCCC1 2230a_100000201646_200025704644 [0,0,0,1,0,0|3,0,0]=4 1843 B10R1.11 CCCN([13CH3])C1CCCC1 269982a_100000201646_200025704644 [0,0,0,1,0,0|3,0,0]=4 1844 B10R1.11 CCCN([13CH3])C1CCCC1 34a_100000201646_200025704644 [0,0,0,1,0,0|3,0,0]=4 1845 B10R1.11 CCNC(=O)C1=CCCC1 11a_100015525214_100000038896 [0,0,0,1,0,0|2,0,1]=4 1846 B10R1.11 CCNC(=O)C1=CCCC1 240690a_100015525214_100000038896 [0,0,0,1,0,0|2,0,1]=4 1847 B10R1.11 CCNC(=O)C1CCCC1 11a_100015525214_100000210718 [0,0,0,1,0,0|2,0,0]=3 1848 B10R1.11 CCNC(=O)C1CCCC1 240690a_100015525214_100000210718 [0,0,0,1,0,0|2,0,0]=3 1849 B10R1.11 CCNC(=O)C1CCCC1 527a_100015525214_100000210718 [0,0,0,1,0,0|2,0,0]=3 1850 B10R1.11 CCNC(=O)C1CCCS1 11a_100015525214_100012002731 [0,0,0,1,0,0|1,1,0]=3 1851 B10R1.11 CCNC(=O)C1CCCS1 240690a_100015525214_100012002731 [0,0,0,1,0,0|1,1,0]=3 1852 B10R1.11 CCNC(=O)C1CCCS1 527a_100015525214_100012002731 [0,0,0,1,0,0|1,1,0]=3 1853 B10R1.11 CCNC(=O)C1CCOC1 11a_100015525214_100011219752 [0,0,0,1,0,0|3,0,0]=4 1854 B10R1.11 CCNC(=O)C1CCOC1 240690a_100015525214_100011219752 [0,0,0,1,0,0|3,0,0]=4 1855 B10R1.11 CCNC(=O)C1CCOC1 527a_100015525214_100011219752 [0,0,0,1,0,0|3,0,0]=4 1856 B10R1.11 CCNC(=O)N1CCCC1 2708a_100015525214_100000188435 [0,0,0,1,0,0|3,0,0]=4 1857 B10R1.11 CCNC(=O)N1CCCC1 273464a_100015525214_100000188435 [0,0,0,1,0,0|3,0,0]=4 1858 B10R1.11 CCNC(=O)[C@@H]1CCCO1 11a_100015525214_100000686382 [0,0,0,1,0,0|1,0,0]=2 1859 B10R1.11 CCNC(=O)[C@@H]1CCCO1 240690a_100015525214_100000686382 [0,0,0,1,0,0|1,0,0]=2 1860 B10R1.11 CCNC(=O)[C@@H]1CCCO1 527a_100015525214_100000686382 [0,0,0,1,0,0|1,0,0]=2 1861 B10R1.11 CCNC(C)C1CCCO1 2230a_100025754208_100000210202 [0,0,0,1,0,0|2,0,1]=4 1862 B10R1.11 CCNC(C)C1CCCO1 34a_100025754208_100000210202 [0,0,0,1,0,0|2,0,1]=4 1863 B10R1.11 CNCC(=O)N1CCCC1 2230a_100000751844_200000210301 [0,0,0,1,0,0|3,0,0]=4 1864 B10R1.11 CNCC(=O)N1CCCC1 2230a_106832991635_100000183516 [0,0,0,1,0,0|3,0,0]=4 1865 B10R1.11 CNCC(=O)N1CCCC1 34a_100102657272_100000183516 [0,0,0,1,0,0|3,0,0]=4 1866 B10R1.11 CNCC(=O)N1CCCC1 7a_106832991635_100000183516 [0,0,0,1,0,0|3,0,0]=4 1867 B10R1.11 CNNC(=O)C1CCCC1 22a_100016993582_100000210718 [0,0,0,1,0,0|3,0,0]=4 1868 B10R1.11 CNNC(=O)C1CCCS1 22a_100016993582_100012002731 [0,0,0,1,0,0|2,1,0]=4 1869 B10R1.11 CNNC(=O)[C@@H]1CCCO1 22a_100016993582_100000686382 [0,0,0,1,0,0|2,0,0]=3 1870 B10R1.11 COCC(=O)C1CCCC1 1458a_100000210968_100000179811 [0,0,0,1,0,0|2,0,0]=3 1871 B10R1.11 COCC(=O)C1CCOC1 1458a_100000210968_100000690089 [0,0,0,1,0,0|3,0,0]=4 1872 B10R1.11 COCC(=O)N1CCCC1 240690a_100000188435_100000210968 [0,0,0,1,0,0|3,0,0]=4 1873 B10R1.11 COCC(=O)N1CCCC1 34a_100138415774_100000183516 [0,0,0,1,0,0|3,0,0]=4 1874 B10R1.11 COCC(=O)N1CCCC1 527a_100000188435_100000210968 [0,0,0,1,0,0|3,0,0]=4 1875 B10R1.11 COCC(=O)N1CCCC1 7a_200000752455_200000210301 [0,0,0,1,0,0|3,0,0]=4 1876 B10R1.11 CSCC(=O)C1CCCC1 1458a_100000184570_100000179811 [0,0,0,1,0,0|2,0,0]=3 1877 B10R1.11 CSCC(=O)C1CCOC1 1458a_100000184570_100000690089 [0,0,0,1,0,0|3,0,0]=4 1878 B10R1.11 CSCC(=O)N1CCCC1 240690a_100000188435_100000184570 [0,0,0,1,0,0|3,0,0]=4 1879 B10R1.11 CSCC(=O)N1CCCC1 527a_100000188435_100000184570 [0,0,0,1,0,0|3,0,0]=4 1880 B10R1.11 CSCC(=O)N1CCCC1 62a_100000183516_200000210301 [0,0,0,1,0,0|3,0,0]=4 1881 B10R1.11 CSCC(=O)N1CCCC1 62a_200000210301_100000183516 [0,0,0,1,0,0|3,0,0]=4 1882 B10R1.11 N#CCC(=O)C1CCCC1 1458a_100000210718_100011214920 [0,0,0,1,0,0|2,0,1]=4 1883 B10R1.11 N#CCC(=O)C1CCCC1 1458a_100051588842_100000179811 [0,0,0,1,0,0|2,0,1]=4 1884 B10R1.11 N#CCC(=O)C1CCCS1 1458a_100012002731_100011214920 [0,0,0,1,0,0|1,1,1]=4 1885 B10R1.11 N#CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100011214920 [0,0,0,1,0,0|1,0,1]=3 1886 B10R1.11 O=C(CCF)C1=CCCC1 1458a_100000038896_100011217306 [0,0,0,1,0,0|2,0,1]=4 1887 B10R1.11 O=C(CCF)C1CCCC1 1458a_100000210718_100011217306 [0,0,0,1,0,0|2,0,0]=3 1888 B10R1.11 O=C(CCF)C1CCCS1 1458a_100012002731_100011217306 [0,0,0,1,0,0|1,1,0]=3 1889 B10R1.11 O=C(CCF)C1CCOC1 1458a_100011219752_100011217306 [0,0,0,1,0,0|3,0,0]=4 1890 B10R1.11 O=C(CCF)[C@@H]1CCCO1 1458a_100000686382_100011217306 [0,0,0,1,0,0|1,0,0]=2 1891 B10R1.11 O=C(CCO)C1=CCCC1 1458a_100000038896_100000211926 [0,0,0,1,0,0|2,0,1]=4 1892 B10R1.11 O=C(CCO)C1CCCC1 1458a_100000210718_100000211926 [0,0,0,1,0,0|2,0,0]=3 1893 B10R1.11 O=C(CCO)C1CCCC1 1458a_100011216618_100000179811 [0,0,0,1,0,0|2,0,0]=3 1894 B10R1.11 O=C(CCO)C1CCCS1 1458a_100012002731_100000211926 [0,0,0,1,0,0|1,1,0]=3 1895 B10R1.11 O=C(CCO)C1CCOC1 1458a_100011216618_100000690089 [0,0,0,1,0,0|3,0,0]=4 1896 B10R1.11 O=C(CCO)C1CCOC1 1458a_100011219752_100000211926 [0,0,0,1,0,0|3,0,0]=4 1897 B10R1.11 O=C(CCO)N1CCCC1 240690a_100000188435_100011216618 [0,0,0,1,0,0|3,0,0]=4 1898 B10R1.11 O=C(CCO)[C@@H]1CCCO1 1458a_100000686382_100000211926 [0,0,0,1,0,0|1,0,0]=2 1899 B10R1.11 [13CH3]NCC(=O)N1CCCC1 2230a_100000751844_200025704644 [0,0,0,1,0,0|3,0,0]=4 1900 B10R1.11 [13CH3]OCC(=O)N1CCCC1 7a_200000752455_200025704644 [0,0,0,1,0,0|3,0,0]=4 1901 B10R1.11 [13CH3]SCC(=O)N1CCCC1 62a_100000183516_200025704644 [0,0,0,1,0,0|3,0,0]=4 1902 B10R1.11 [13CH3]SCC(=O)N1CCCC1 62a_200025704644_100000183516 [0,0,0,1,0,0|3,0,0]=4 1903 B10R1.118 C[C@H]1CN(C(=O)CN1C)C 2230a_100016994881_200000210301 [0,0,0,1,0,0|3,0,0]=4 1904 B10R1.118 C[C@H]1CN(C(=O)CN1C)C 269982a_100016994881_200000210301 [0,0,0,1,0,0|3,0,0]=4 1905 B10R1.118 C[C@H]1CN(C(=O)CN1C)C 34a_100016994881_200000210301 [0,0,0,1,0,0|3,0,0]=4 1906 B10R1.118 C[C@H]1CN(C(=O)CN1[13CH3])C 2230a_100016994881_200025704644 [0,0,0,1,0,0|3,0,0]=4 1907 B10R1.118 C[C@H]1CN(C(=O)CN1[13CH3])C 269982a_100016994881_200025704644 [0,0,0,1,0,0|3,0,0]=4 1908 B10R1.118 C[C@H]1CN(C(=O)CN1[13CH3])C 34a_100016994881_200025704644 [0,0,0,1,0,0|3,0,0]=4 1909 B10R1.130 CCNC1CC(OC1=O)C 2230a_100015525214_200000216747 [0,0,0,1,0,0|3,0,0]=4 1910 B10R1.130 CCOC1CC(OC1=O)C 34a_100121572206_200000216747 [0,0,0,1,0,0|3,0,0]=4 1911 B10R1.130 CCSC1CC(OC1=O)C 62a_100000210202_200000216747 [0,0,0,1,0,0|3,0,0]=4 1912 B10R1.130 CCSC1CC(OC1=O)C 62a_200000216747_100000210202 [0,0,0,1,0,0|3,0,0]=4 1913 B10R1.135 C#CCC(=O)C1CC1CC 1458a_200011661523_100000184674 [0,0,0,1,0,0|1,0,2]=4 1914 B10R1.135 C=CCC(=O)C1CC1CC 1458a_200011661523_100000210623 [0,0,0,1,0,0|1,0,2]=4 1915 B10R1.135 CCC1CC1C(=O)CC#N 1458a_200011661523_100011214920 [0,0,0,1,0,0|2,0,1]=4 1916 B10R1.135 CCC1CC1C(=O)CCF 1458a_200011661523_100011217306 [0,0,0,1,0,0|2,0,0]=3 1917 B10R1.135 CCC1CC1C(=O)CCO 1458a_200011661523_100000211926 [0,0,0,1,0,0|2,0,0]=3 1918 B10R1.135 CCC1CC1C(=O)NNC 22a_100016993582_200011661523 [0,0,0,1,0,0|3,0,0]=4 1919 B10R1.135 CCCC(=O)C1CC1CC 1458a_200011661523_100000210303 [0,0,0,1,0,0|1,0,0]=2 1920 B10R1.135 CCCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100000210303 [0,0,0,1,0,0|2,0,1]=4 1921 B10R1.135 CCNC(=O)C1CC1CC 11a_100015525214_200011661523 [0,0,0,1,0,0|2,0,0]=3 1922 B10R1.135 CCNC(=O)C1CC1CC 240690a_100015525214_200011661523 [0,0,0,1,0,0|2,0,0]=3 1923 B10R1.135 CCNC(=O)C1CC1CC 527a_100015525214_200011661523 [0,0,0,1,0,0|2,0,0]=3 1924 B10R1.140 C#CCC(=O)C1CC(C1)C 1458a_100000686124_100000184674 [0,0,0,1,0,0|1,0,2]=4 1925 B10R1.140 C=C1CC(C1)C(=O)CCC 1458a_100000065620_100000210303 [0,0,0,1,0,0|1,0,2]=4 1926 B10R1.140 C=CCC(=O)C1CC(C1)C 1458a_100000686124_100000210623 [0,0,0,1,0,0|1,0,2]=4 1927 B10R1.140 CC1CC(C1)C(=O)CC#N 1458a_100000686124_100011214920 [0,0,0,1,0,0|2,0,1]=4 1928 B10R1.140 CC1CC(C1)C(=O)CCF 1458a_100000686124_100011217306 [0,0,0,1,0,0|2,0,0]=3 1929 B10R1.140 CC1CC(C1)C(=O)CCO 1458a_100000686124_100000211926 [0,0,0,1,0,0|2,0,0]=3 1930 B10R1.140 CC1CN(C1)C(=O)CCO 240690a_100000702820_100011216618 [0,0,0,1,0,0|3,0,0]=4 1931 B10R1.140 CCCC(=O)C1CC(C1)C 1458a_100000686124_100000210303 [0,0,0,1,0,0|1,0,0]=2 1932 B10R1.140 CCCC(=O)C1CC(C1)F 1458a_100000062598_100000210303 [0,0,0,1,0,0|2,0,0]=3 1933 B10R1.140 CCCC(=O)C1CN(C1)C 1458a_100012002723_100000210303 [0,0,0,1,0,0|2,0,0]=3 1934 B10R1.140 CCCC(=O)N1CC(C1)C 11a_100000702820_100000211992 [0,0,0,1,0,0|2,0,0]=3 1935 B10R1.140 CCCC(=O)N1CC(C1)C 240690a_100000702820_100000211992 [0,0,0,1,0,0|2,0,0]=3 1936 B10R1.140 CCCC(=O)N1CC(C1)C 527a_100000702820_100000211992 [0,0,0,1,0,0|2,0,0]=3 1937 B10R1.140 CCCC(=O)N1CC(C1)F 11a_100000690557_100000211992 [0,0,0,1,0,0|3,0,0]=4 1938 B10R1.140 CCCC(=O)N1CC(C1)F 240690a_100000690557_100000211992 [0,0,0,1,0,0|3,0,0]=4 1939 B10R1.140 CCCC(=O)N1CC(C1)F 527a_100000690557_100000211992 [0,0,0,1,0,0|3,0,0]=4 1940 B10R1.140 CCCC(=O)N1CC(C1)O 11a_100000749847_100000211992 [0,0,0,1,0,0|3,0,0]=4 1941 B10R1.140 CCCC(=O)N1CC(C1)O 240690a_100000749847_100000211992 [0,0,0,1,0,0|3,0,0]=4 1942 B10R1.140 CCCC(=O)N1CC(C1)O 527a_100000749847_100000211992 [0,0,0,1,0,0|3,0,0]=4 1943 B10R1.140 CCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210303 [0,0,0,1,0,0|2,0,1]=4 1944 B10R1.140 CCCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210303 [0,0,0,1,0,0|2,0,0]=3 1945 B10R1.140 CCCC(C)N1CC(C1)C 2230a_100000702820_100000766640 [0,0,0,1,0,0|3,0,0]=4 1946 B10R1.140 CCCC(C)N1CC(C1)C 269982a_100000702820_100000766640 [0,0,0,1,0,0|3,0,0]=4 1947 B10R1.140 CCCC(C)N1CC(C1)C 270004a_100000702820_100000211909 [0,0,0,1,0,0|3,0,0]=4 1948 B10R1.140 CCCC(C)N1CC(C1)C 34a_100000702820_100000766640 [0,0,0,1,0,0|3,0,0]=4 1949 B10R1.140 CCNC(=O)C1CC(C1)C 11a_100015525214_100000686124 [0,0,0,1,0,0|2,0,0]=3 1950 B10R1.140 CCNC(=O)C1CC(C1)C 240690a_100015525214_100000686124 [0,0,0,1,0,0|2,0,0]=3 1951 B10R1.140 CCNC(=O)C1CC(C1)C 527a_100015525214_100000686124 [0,0,0,1,0,0|2,0,0]=3 1952 B10R1.140 CCNC(=O)C1CC(C1)F 11a_100015525214_100000062598 [0,0,0,1,0,0|3,0,0]=4 1953 B10R1.140 CCNC(=O)C1CC(C1)F 240690a_100015525214_100000062598 [0,0,0,1,0,0|3,0,0]=4 1954 B10R1.140 CCNC(=O)C1CC(C1)F 527a_100015525214_100000062598 [0,0,0,1,0,0|3,0,0]=4 1955 B10R1.140 CCNC(=O)C1CN(C1)C 240690a_100015525214_100012002723 [0,0,0,1,0,0|3,0,0]=4 1956 B10R1.140 CCNC(=O)N1CC(C1)C 2708a_100015525214_100000702820 [0,0,0,1,0,0|3,0,0]=4 1957 B10R1.140 CCNC(=O)N1CC(C1)C 273464a_100015525214_100000702820 [0,0,0,1,0,0|3,0,0]=4 1958 B10R1.140 CCNC(=O)[C@H]1C[C@H](C1)O 240690a_100015525214_100015266633 [0,0,0,1,0,0|3,0,0]=4 1959 B10R1.140 CCNC(=O)[C@H]1C[C@H](C1)O 527a_100015525214_100015266633 [0,0,0,1,0,0|3,0,0]=4 1960 B10R1.140 CCOC(=O)C1CN(C1)C 269982a_100015188541_200000210301 [0,0,0,1,0,0|3,0,0]=4 1961 B10R1.140 CCOC(=O)C1CN(C1)[13CH3] 269982a_100015188541_200025704644 [0,0,0,1,0,0|3,0,0]=4 1962 B10R1.140 CN1CC(C1)C(=O)CCF 1458a_100012002723_100011217306 [0,0,0,1,0,0|3,0,0]=4 1963 B10R1.140 CN1CC(C1)C(=O)CCO 1458a_100012002723_100000211926 [0,0,0,1,0,0|3,0,0]=4 1964 B10R1.140 CNNC(=O)C1CC(C1)C 22a_100016993582_100000686124 [0,0,0,1,0,0|3,0,0]=4 1965 B10R1.140 COCC(=O)N1CC(C1)C 11a_100000702820_100000210968 [0,0,0,1,0,0|3,0,0]=4 1966 B10R1.140 COCC(=O)N1CC(C1)C 240690a_100000702820_100000210968 [0,0,0,1,0,0|3,0,0]=4 1967 B10R1.140 COCC(=O)N1CC(C1)C 527a_100000702820_100000210968 [0,0,0,1,0,0|3,0,0]=4 1968 B10R1.140 CSCC(=O)N1CC(C1)C 11a_100000702820_100000184570 [0,0,0,1,0,0|3,0,0]=4 1969 B10R1.140 CSCC(=O)N1CC(C1)C 240690a_100000702820_100000184570 [0,0,0,1,0,0|3,0,0]=4 1970 B10R1.140 CSCC(=O)N1CC(C1)C 527a_100000702820_100000184570 [0,0,0,1,0,0|3,0,0]=4 1971 B10R1.140 O=C(CCF)C1CC(C1)F 1458a_100000062598_100011217306 [0,0,0,1,0,0|3,0,0]=4 1972 B10R1.140 O=C(CCF)[C@H]1C[C@H](C1)O 1458a_100015266633_100011217306 [0,0,0,1,0,0|3,0,0]=4 1973 B10R1.140 O=C(CCO)C1CC(C1)F 1458a_100000062598_100000211926 [0,0,0,1,0,0|3,0,0]=4 1974 B10R1.140 O=C(CCO)[C@H]1C[C@H](C1)O 1458a_100015266633_100000211926 [0,0,0,1,0,0|3,0,0]=4 1975 B10R1.212 CC(CC#N)C(=O)C1CC1 1458a_100000210395_100009813641 [0,0,0,1,0,0|2,0,1]=4 1976 B10R1.212 CC(CCO)C(=O)C1CC1 1458a_100000210395_100009893172 [0,0,0,1,0,0|2,0,0]=3 1977 B10R1.212 CC(CCO)C(=O)C1CO1 1458a_100000701028_100009893172 [0,0,0,1,0,0|3,0,0]=4 1978 B10R1.212 CCCC(=O)N(C)C1CC1 11a_100000226674_100000211992 [0,0,0,1,0,0|2,0,0]=3 1979 B10R1.212 CCCC(=O)N(C)C1CC1 1626a_100000226674_100000211992 [0,0,0,1,0,0|2,0,0]=3 1980 B10R1.212 CCCC(=O)N(C)C1CC1 240690a_100000226674_100000211992 [0,0,0,1,0,0|2,0,0]=3 1981 B10R1.212 CCCC(=O)N(C)C1CC1 527a_100000226674_100000211992 [0,0,0,1,0,0|2,0,0]=3 1982 B10R1.212 CCCC(C)C(=O)C1CC1 1458a_100000210395_100000766640 [0,0,0,1,0,0|1,0,0]=2 1983 B10R1.212 CCCC(C)C(=O)C1CO1 1458a_100000701028_100000766640 [0,0,0,1,0,0|2,0,0]=3 1984 B10R1.212 CCCC(C)N(C)C1CC1 2230a_100000226674_100000766640 [0,0,0,1,0,0|3,0,0]=4 1985 B10R1.212 CCCC(C)N(C)C1CC1 269982a_100000226674_100000766640 [0,0,0,1,0,0|3,0,0]=4 1986 B10R1.212 CCCC(C)N(C)C1CC1 270004a_100000226674_100000211909 [0,0,0,1,0,0|3,0,0]=4 1987 B10R1.212 CCCN(C)C(=O)C1CC1 11a_100000747261_100000210395 [0,0,0,1,0,0|2,0,0]=3 1988 B10R1.212 CCCN(C)C(=O)C1CC1 1626a_100000747261_100000210395 [0,0,0,1,0,0|2,0,0]=3 1989 B10R1.212 CCCN(C)C(=O)C1CC1 240690a_100000747261_100000210395 [0,0,0,1,0,0|2,0,0]=3 1990 B10R1.212 CCCN(C)C(=O)C1CC1 527a_100000747261_100000210395 [0,0,0,1,0,0|2,0,0]=3 1991 B10R1.212 CCCN(C)C(=O)C1CO1 11a_100000747261_100000701028 [0,0,0,1,0,0|3,0,0]=4 1992 B10R1.212 CCCN(C)C(=O)C1CO1 1626a_100000747261_100000701028 [0,0,0,1,0,0|3,0,0]=4 1993 B10R1.212 CCCN(C)C(=O)C1CO1 240690a_100000747261_100000701028 [0,0,0,1,0,0|3,0,0]=4 1994 B10R1.212 CCCN(C)C(=O)C1CO1 527a_100000747261_100000701028 [0,0,0,1,0,0|3,0,0]=4 1995 B10R1.212 CCNC(=O)N(C)C1CC1 2708a_100015525214_100000226674 [0,0,0,1,0,0|3,0,0]=4 1996 B10R1.212 CCNC(=O)N(C)C1CC1 273464a_100015525214_100000226674 [0,0,0,1,0,0|3,0,0]=4 1997 B10R1.212 CN(C(=O)CCO)C1CC1 240690a_100000226674_100011216618 [0,0,0,1,0,0|3,0,0]=4 1998 B10R1.212 CN(CCO)C(=O)C1CC1 240690a_100000210263_100000210395 [0,0,0,1,0,0|3,0,0]=4 1999 B10R1.212 CN(CCO)C(=O)C1CC1 527a_100000210263_100000210395 [0,0,0,1,0,0|3,0,0]=4 2000 B10R1.212 COCC(=O)N(C)C1CC1 11a_100000226674_100000210968 [0,0,0,1,0,0|3,0,0]=4 2001 B10R1.212 COCC(=O)N(C)C1CC1 1626a_100000226674_100000210968 [0,0,0,1,0,0|3,0,0]=4 2002 B10R1.212 COCC(=O)N(C)C1CC1 240690a_100000226674_100000210968 [0,0,0,1,0,0|3,0,0]=4 2003 B10R1.212 COCC(=O)N(C)C1CC1 527a_100000226674_100000210968 [0,0,0,1,0,0|3,0,0]=4 2004 B10R1.212 COCC(C)C(=O)C1CC1 1458a_100000210395_100000765312 [0,0,0,1,0,0|2,0,0]=3 2005 B10R1.212 COCC(C)C(=O)C1CO1 1458a_100000701028_100000765312 [0,0,0,1,0,0|3,0,0]=4 2006 B10R1.212 CSCC(=O)N(C)C1CC1 11a_100000226674_100000184570 [0,0,0,1,0,0|3,0,0]=4 2007 B10R1.212 CSCC(=O)N(C)C1CC1 1626a_100000226674_100000184570 [0,0,0,1,0,0|3,0,0]=4 2008 B10R1.212 CSCC(=O)N(C)C1CC1 240690a_100000226674_100000184570 [0,0,0,1,0,0|3,0,0]=4 2009 B10R1.212 CSCC(=O)N(C)C1CC1 527a_100000226674_100000184570 [0,0,0,1,0,0|3,0,0]=4 2010 B10R1.277 CN1CCCN(C(=O)C1)C 2230a_100000709885_200000210301 [0,0,0,1,0,0|3,0,0]=4 2011 B10R1.277 CN1CCCN(C(=O)C1)C 269982a_100000709885_200000210301 [0,0,0,1,0,0|3,0,0]=4 2012 B10R1.277 CN1CCCN(C(=O)C1)C 34a_100000709885_200000210301 [0,0,0,1,0,0|3,0,0]=4 2013 B10R1.277 CN1CCCN(CC1=O)[13CH3] 2230a_100000709885_200025704644 [0,0,0,1,0,0|3,0,0]=4 2014 B10R1.277 CN1CCCN(CC1=O)[13CH3] 269982a_100000709885_200025704644 [0,0,0,1,0,0|3,0,0]=4 2015 B10R1.277 CN1CCCN(CC1=O)[13CH3] 34a_100000709885_200025704644 [0,0,0,1,0,0|3,0,0]=4 2016 B10R1.401 C#CCC(=O)C1(CCC1)C 1458a_100000684636_100000184674 [0,0,0,1,0,0|1,0,2]=4 2017 B10R1.401 C#CCC(=O)C1(CCC1)O 1458a_100000242746_100000184674 [0,0,0,1,0,0|0,0,2]=3 2018 B10R1.401 C#CCC(=O)C1(COC1)O 1458a_100010273515_100000184674 [0,0,0,1,0,0|1,0,2]=4 2019 B10R1.401 C=CCC(=O)C1(CCC1)C 1458a_100000684636_100000210623 [0,0,0,1,0,0|1,0,2]=4 2020 B10R1.401 C=CCC(=O)C1(CCC1)O 1458a_100000242746_100000210623 [0,0,0,1,0,0|0,0,2]=3 2021 B10R1.401 C=CCC(=O)C1(COC1)O 1458a_100010273515_100000210623 [0,0,0,1,0,0|1,0,2]=4 2022 B10R1.401 CC1(CCC1)C(=O)CC#N 1458a_100000684636_100011214920 [0,0,0,1,0,0|2,0,1]=4 2023 B10R1.401 CC1(CCC1)C(=O)CCF 1458a_100000684636_100011217306 [0,0,0,1,0,0|2,0,0]=3 2024 B10R1.401 CC1(CCC1)C(=O)CCO 1458a_100000684636_100000211926 [0,0,0,1,0,0|2,0,0]=3 2025 B10R1.401 CC1(COC1)C(=O)CCF 1458a_100000094709_100011217306 [0,0,0,1,0,0|3,0,0]=4 2026 B10R1.401 CC1(COC1)C(=O)CCO 1458a_100000094709_100000211926 [0,0,0,1,0,0|3,0,0]=4 2027 B10R1.401 CCCC(=O)C1(CCC1)C 1458a_100000684636_100000210303 [0,0,0,1,0,0|1,0,0]=2 2028 B10R1.401 CCCC(=O)C1(CCC1)O 1458a_100000242746_100000210303 [0,0,0,1,0,0|0,0,0]=1 2029 B10R1.401 CCCC(=O)C1(COC1)C 1458a_100000094709_100000210303 [0,0,0,1,0,0|2,0,0]=3 2030 B10R1.401 CCCC(=O)C1(COC1)O 1458a_100010273515_100000210303 [0,0,0,1,0,0|1,0,0]=2 2031 B10R1.401 CCNC(=O)C1(CCC1)C 11a_100015525214_100000684636 [0,0,0,1,0,0|2,0,0]=3 2032 B10R1.401 CCNC(=O)C1(CCC1)C 240690a_100015525214_100000684636 [0,0,0,1,0,0|2,0,0]=3 2033 B10R1.401 CCNC(=O)C1(CCC1)C 527a_100015525214_100000684636 [0,0,0,1,0,0|2,0,0]=3 2034 B10R1.401 CCNC(=O)C1(CCC1)O 240690a_100015525214_100000242746 [0,0,0,1,0,0|1,0,0]=2 2035 B10R1.401 CCNC(=O)C1(COC1)C 11a_100015525214_100000094709 [0,0,0,1,0,0|3,0,0]=4 2036 B10R1.401 CCNC(=O)C1(COC1)C 527a_100015525214_100000094709 [0,0,0,1,0,0|3,0,0]=4 2037 B10R1.401 CCNC(=O)C1(COC1)O 240690a_100015525214_100010273515 [0,0,0,1,0,0|2,0,0]=3 2038 B10R1.401 CNNC(=O)C1(CCC1)C 22a_100016993582_100000684636 [0,0,0,1,0,0|3,0,0]=4 2039 B10R1.401 CNNC(=O)C1(CCC1)O 22a_100016993582_100000242746 [0,0,0,1,0,0|2,0,0]=3 2040 B10R1.401 CNNC(=O)C1(COC1)O 22a_100016993582_100010273515 [0,0,0,1,0,0|3,0,0]=4 2041 B10R1.401 N#CCC(=O)C1(CCC1)O 1458a_100000242746_100011214920 [0,0,0,1,0,0|1,0,1]=3 2042 B10R1.401 N#CCC(=O)C1(COC1)O 1458a_100010273515_100011214920 [0,0,0,1,0,0|2,0,1]=4 2043 B10R1.401 O=C(CCF)C1(CCC1)O 1458a_100000242746_100011217306 [0,0,0,1,0,0|1,0,0]=2 2044 B10R1.401 O=C(CCF)C1(COC1)O 1458a_100010273515_100011217306 [0,0,0,1,0,0|2,0,0]=3 2045 B10R1.401 O=C(CCO)C1(CCC1)O 1458a_100000242746_100000211926 [0,0,0,1,0,0|1,0,0]=2 2046 B10R1.401 O=C(CCO)C1(COC1)O 1458a_100010273515_100000211926 [0,0,0,1,0,0|2,0,0]=3 2047 B10R0.2 C#CCC(=O)CC(C)CCC 1458a_100000748435_100000184674 [0,0,0,0,0,1|1,0,2]=4 2048 B10R0.2 C#CCC(=O)CC(C)CCC 1458a_100011220946_100011216630 [0,0,0,0,0,1|1,0,2]=4 2049 B10R0.2 C#CCC(=O)NC(C)CCC 1626a_100000741246_100011220946 [0,0,0,0,0,1|1,0,2]=4 2050 B10R0.2 C#CCC(=O)NC(C)CCC 527a_100000741246_100011220946 [0,0,0,0,0,1|1,0,2]=4 2051 B10R0.2 C=C(CCC)CC(=O)CCC 1458a_100000138376_100000210303 [0,0,0,0,0,1|1,0,1]=3 2052 B10R0.2 C=C(CCC)CC(=O)CCF 1458a_100000138376_100011217306 [0,0,0,0,0,1|2,0,1]=4 2053 B10R0.2 C=C(CCC)CC(=O)CCO 1458a_100000138376_100000211926 [0,0,0,0,0,1|2,0,1]=4 2054 B10R0.2 C=C(CCC)CC(=O)NCC 11a_100015525214_100000138376 [0,0,0,0,0,1|2,0,1]=4 2055 B10R0.2 C=C(CCC)CC(=O)NCC 240690a_100015525214_100000138376 [0,0,0,0,0,1|2,0,1]=4 2056 B10R0.2 C=C(CCC)CC(=O)NCC 527a_100015525214_100000138376 [0,0,0,0,0,1|2,0,1]=4 2057 B10R0.2 C=CCC(=O)CC(C)CCC 1458a_100000210193_100011216630 [0,0,0,0,0,1|1,0,2]=4 2058 B10R0.2 C=CCC(=O)CC(C)CCC 1458a_100000748435_100000210623 [0,0,0,0,0,1|1,0,2]=4 2059 B10R0.2 C=CCC(=O)NC(C)CCC 11a_100000741246_100000210193 [0,0,0,0,0,1|1,0,2]=4 2060 B10R0.2 C=CCC(=O)NC(C)CCC 1626a_100000741246_100000210193 [0,0,0,0,0,1|1,0,2]=4 2061 B10R0.2 C=CCC(=O)NC(C)CCC 240690a_100000741246_100000210193 [0,0,0,0,0,1|1,0,2]=4 2062 B10R0.2 C=CCC(=O)NC(C)CCC 527a_100000741246_100000210193 [0,0,0,0,0,1|1,0,2]=4 2063 B10R0.2 CC#CC(=O)CC(C)CCC 1458a_100000763181_100011216630 [0,0,0,0,0,1|1,0,2]=4 2064 B10R0.2 CC=CC(=O)CC(C)CCC 1458a_100000210699_100011216630 [0,0,0,0,0,1|1,0,2]=4 2065 B10R0.2 CC=CC(=O)NC(C)CCC 11a_100000741246_100000210699 [0,0,0,0,0,1|1,0,2]=4 2066 B10R0.2 CC=CC(=O)NC(C)CCC 1626a_100000741246_100000210699 [0,0,0,0,0,1|1,0,2]=4 2067 B10R0.2 CC=CC(=O)NC(C)CCC 240690a_100000741246_100000210699 [0,0,0,0,0,1|1,0,2]=4 2068 B10R0.2 CCCC(=CC(=O)CCF)C 1458a_100020676950_100011217306 [0,0,0,0,0,1|2,0,1]=4 2069 B10R0.2 CCCC(=CC(=O)CCO)C 1458a_100020676950_100000211926 [0,0,0,0,0,1|2,0,1]=4 2070 B10R0.2 CCCC(=CC(=O)NCC)C 11a_100015525214_100020676950 [0,0,0,0,0,1|2,0,1]=4 2071 B10R0.2 CCCC(=CC(=O)NCC)C 240690a_100015525214_100020676950 [0,0,0,0,0,1|2,0,1]=4 2072 B10R0.2 CCCC(=O)C=C(C)CCC 1458a_100020676950_100000210303 [0,0,0,0,0,1|1,0,1]=3 2073 B10R0.2 CCCC(=O)CC(=O)CCC 1458a_100000211992_100000747444 [0,0,0,0,0,1|0,0,2]=3 2074 B10R0.2 CCCC(=O)CC(=O)CCO 1458a_100011216618_100000747444 [0,0,0,0,0,1|1,0,2]=4 2075 B10R0.2 CCCC(=O)CC(=O)COC 1458a_100000210968_100000747444 [0,0,0,0,0,1|1,0,2]=4 2076 B10R0.2 CCCC(=O)CC(=O)CSC 1458a_100000184570_100000747444 [0,0,0,0,0,1|1,0,2]=4 2077 B10R0.2 CCCC(=O)CC(=O)NCC 1458a_100000211992_100000183381 [0,0,0,0,0,1|1,0,2]=4 2078 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000211992_100000188475 [0,0,0,0,0,1|1,0,2]=4 2079 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000243816_100000210303 [0,0,0,0,0,1|1,0,2]=4 2080 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000211992_100011216630 [0,0,0,0,0,1|1,0,0]=2 2081 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000748435_100000210303 [0,0,0,0,0,1|1,0,0]=2 2082 B10R0.2 CCCC(=O)CC(C)SCC 1458a_200011311441_100000210303 [0,0,0,0,0,1|2,0,0]=3 2083 B10R0.2 CCCC(=O)CN(C)CCC 2230a_100000747261_100000747444 [0,0,0,0,0,1|2,0,0]=3 2084 B10R0.2 CCCC(=O)CN(C)CCC 269982a_100000747261_100000747444 [0,0,0,0,0,1|2,0,0]=3 2085 B10R0.2 CCCC(=O)CN(C)CCO 2230a_100000210263_100000747444 [0,0,0,0,0,1|3,0,0]=4 2086 B10R0.2 CCCC(=O)CN(C)CCO 269982a_100000210263_100000747444 [0,0,0,0,0,1|3,0,0]=4 2087 B10R0.2 CCCC(=O)CS(=O)CCC 1458a_100011387404_100000210303 [0,0,0,0,0,1|1,0,1]=3 2088 B10R0.2 CCCC(=O)NC(C)CCC 11a_100000741246_100000211992 [0,0,0,0,0,1|1,0,0]=2 2089 B10R0.2 CCCC(=O)NC(C)CCC 1626a_100000741246_100000211992 [0,0,0,0,0,1|1,0,0]=2 2090 B10R0.2 CCCC(=O)NC(C)CCC 240690a_100000741246_100000211992 [0,0,0,0,0,1|1,0,0]=2 2091 B10R0.2 CCCC(=O)NC(C)CCC 527a_100000741246_100000211992 [0,0,0,0,0,1|1,0,0]=2 2092 B10R0.2 CCCC(=O)N[C@@H](C)CC#N 11a_100016994482_100000211992 [0,0,0,0,0,1|2,0,1]=4 2093 B10R0.2 CCCC(=O)N[C@@H](C)CC#N 1626a_100016994482_100000211992 [0,0,0,0,0,1|2,0,1]=4 2094 B10R0.2 CCCC(=O)N[C@@H](C)CC#N 240690a_100016994482_100000211992 [0,0,0,0,0,1|2,0,1]=4 2095 B10R0.2 CCCC(=O)N[C@@H](C)CC#N 527a_100016994482_100000211992 [0,0,0,0,0,1|2,0,1]=4 2096 B10R0.2 CCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000211992 [0,0,0,0,0,1|2,0,0]=3 2097 B10R0.2 CCCC(=O)N[C@H](C)CCO 527a_100000706166_100000211992 [0,0,0,0,0,1|2,0,0]=3 2098 B10R0.2 CCCC(=O)N[C@H](C)COC 11a_100000764878_100000211992 [0,0,0,0,0,1|2,0,0]=3 2099 B10R0.2 CCCC(=O)N[C@H](C)COC 1626a_100000764878_100000211992 [0,0,0,0,0,1|2,0,0]=3 2100 B10R0.2 CCCC(=O)N[C@H](C)COC 240690a_100000764878_100000211992 [0,0,0,0,0,1|2,0,0]=3 2101 B10R0.2 CCCC(=O)N[C@H](C)COC 527a_100000764878_100000211992 [0,0,0,0,0,1|2,0,0]=3 2102 B10R0.2 CCCC(C)CC(=O)CC#N 1458a_100000748435_100011214920 [0,0,0,0,0,1|2,0,1]=4 2103 B10R0.2 CCCC(C)CC(=O)CC#N 1458a_100051588842_100011216630 [0,0,0,0,0,1|2,0,1]=4 2104 B10R0.2 CCCC(C)CC(=O)CCF 1458a_100000748435_100011217306 [0,0,0,0,0,1|2,0,0]=3 2105 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100000748435_100000211926 [0,0,0,0,0,1|2,0,0]=3 2106 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100011216618_100011216630 [0,0,0,0,0,1|2,0,0]=3 2107 B10R0.2 CCCC(C)CC(=O)COC 1458a_100000210968_100011216630 [0,0,0,0,0,1|2,0,0]=3 2108 B10R0.2 CCCC(C)CC(=O)CSC 1458a_100000184570_100011216630 [0,0,0,0,0,1|2,0,0]=3 2109 B10R0.2 CCCC(C)CC(=O)NCC 11a_100015525214_100000748435 [0,0,0,0,0,1|2,0,0]=3 2110 B10R0.2 CCCC(C)CC(=O)NCC 240690a_100015525214_100000748435 [0,0,0,0,0,1|2,0,0]=3 2111 B10R0.2 CCCC(C)CC(=O)NCC 527a_100015525214_100000748435 [0,0,0,0,0,1|2,0,0]=3 2112 B10R0.2 CCCC(C)CC(=O)NNC 22a_100016993582_100000748435 [0,0,0,0,0,1|3,0,0]=4 2113 B10R0.2 CCCC(C)CN(C)CCC 2230a_100000747261_100011216630 [0,0,0,0,0,1|3,0,0]=4 2114 B10R0.2 CCCC(C)CN(C)CCC 269982a_100000747261_100011216630 [0,0,0,0,0,1|3,0,0]=4 2115 B10R0.2 CCCC(C)CN(C)CCC 270004a_100000747261_100000243154 [0,0,0,0,0,1|3,0,0]=4 2116 B10R0.2 CCCC(C)NC(=O)CC#N 1626a_100000741246_100051588842 [0,0,0,0,0,1|2,0,1]=4 2117 B10R0.2 CCCC(C)NC(=O)CC#N 240690a_100000741246_100051588842 [0,0,0,0,0,1|2,0,1]=4 2118 B10R0.2 CCCC(C)NC(=O)CCO 240690a_100000741246_100011216618 [0,0,0,0,0,1|2,0,0]=3 2119 B10R0.2 CCCC(C)NC(=O)COC 11a_100000741246_100000210968 [0,0,0,0,0,1|2,0,0]=3 2120 B10R0.2 CCCC(C)NC(=O)COC 1626a_100000741246_100000210968 [0,0,0,0,0,1|2,0,0]=3 2121 B10R0.2 CCCC(C)NC(=O)COC 240690a_100000741246_100000210968 [0,0,0,0,0,1|2,0,0]=3 2122 B10R0.2 CCCC(C)NC(=O)COC 527a_100000741246_100000210968 [0,0,0,0,0,1|2,0,0]=3 2123 B10R0.2 CCCC(C)NC(=O)CSC 11a_100000741246_100000184570 [0,0,0,0,0,1|2,0,0]=3 2124 B10R0.2 CCCC(C)NC(=O)CSC 1626a_100000741246_100000184570 [0,0,0,0,0,1|2,0,0]=3 2125 B10R0.2 CCCC(C)NC(=O)CSC 240690a_100000741246_100000184570 [0,0,0,0,0,1|2,0,0]=3 2126 B10R0.2 CCCC(C)NC(=O)CSC 527a_100000741246_100000184570 [0,0,0,0,0,1|2,0,0]=3 2127 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100000741246_100015525214 [0,0,0,0,0,1|2,0,0]=3 2128 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100015525214_100000741246 [0,0,0,0,0,1|2,0,0]=3 2129 B10R0.2 CCCC(C)NC(=O)NCC 273464a_100000741246_100015525214 [0,0,0,0,0,1|2,0,0]=3 2130 B10R0.2 CCCC(C)NC(=O)NCC 512a_100000741246_100015525214 [0,0,0,0,0,1|2,0,0]=3 2131 B10R0.2 CCCC(C)NC(=O)NCC 512a_100015525214_100000741246 [0,0,0,0,0,1|2,0,0]=3 2132 B10R0.2 CCCC(C)NC(=O)NNC 273464a_100000741246_100016993582 [0,0,0,0,0,1|3,0,0]=4 2133 B10R0.2 CCCC(C)NC(=O)NNC 512a_100000741246_100016993582 [0,0,0,0,0,1|3,0,0]=4 2134 B10R0.2 CCCC(C)NC(=O)NNC 512a_100016993582_100000741246 [0,0,0,0,0,1|3,0,0]=4 2135 B10R0.2 CCCC(C)NC(C)CCC 2230a_100000741246_100000766640 [0,0,0,0,0,1|2,0,1]=4 2136 B10R0.2 CCCC(C)NC(C)CCC 270004a_100000741246_100000211909 [0,0,0,0,0,1|2,0,1]=4 2137 B10R0.2 CCCC(C)OC(C)CCC 34a_100000764384_100000766640 [0,0,0,0,0,1|2,0,1]=4 2138 B10R0.2 CCCC(C)OC(C)CCC 7a_100000764384_100000766640 [0,0,0,0,0,1|2,0,1]=4 2139 B10R0.2 CCCC(C)SC(C)CCC 62a_100000766640_100000766640 [0,0,0,0,0,1|2,0,1]=4 2140 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000741943_100000210303 [0,0,0,0,0,1|3,0,0]=4 2141 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000747261_100000183381 [0,0,0,0,0,1|3,0,0]=4 2142 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000741943_100000210303 [0,0,0,0,0,1|3,0,0]=4 2143 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000747261_100000183381 [0,0,0,0,0,1|3,0,0]=4 2144 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000220588_100000210303 [0,0,0,0,0,1|3,0,0]=4 2145 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000221057_200000210301 [0,0,0,0,0,1|3,0,0]=4 2146 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000747261_100000188475 [0,0,0,0,0,1|3,0,0]=4 2147 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000221057_200000210301 [0,0,0,0,0,1|3,0,0]=4 2148 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000747261_100000188475 [0,0,0,0,0,1|3,0,0]=4 2149 B10R0.2 CCCN(C)CC(O)COC 2230a_100000739405_100000210303 [0,0,0,0,0,1|3,0,0]=4 2150 B10R0.2 CCCN(C)CC(O)COC 269982a_100000739405_100000210303 [0,0,0,0,0,1|3,0,0]=4 2151 B10R0.2 CCCN([13CH3])CC(=O)OCC 2230a_100000221057_200025704644 [0,0,0,0,0,1|3,0,0]=4 2152 B10R0.2 CCCN([13CH3])CC(=O)OCC 269982a_100000221057_200025704644 [0,0,0,0,0,1|3,0,0]=4 2153 B10R0.2 CCCS(=O)CC(=O)CCF 1458a_100011387404_100011217306 [0,0,0,0,0,1|2,0,1]=4 2154 B10R0.2 CCCS(=O)CC(=O)CCO 1458a_100011387404_100000211926 [0,0,0,0,0,1|2,0,1]=4 2155 B10R0.2 CCCS(=O)CC(=O)NCC 11a_100015525214_100011387404 [0,0,0,0,0,1|2,0,1]=4 2156 B10R0.2 CCCS(=O)CC(=O)NCC 240690a_100015525214_100011387404 [0,0,0,0,0,1|2,0,1]=4 2157 B10R0.2 CCCS(=O)CC(=O)NCC 527a_100015525214_100011387404 [0,0,0,0,0,1|2,0,1]=4 2158 B10R0.2 CCNC(=O)CC(C)SCC 11a_100015525214_200011311441 [0,0,0,0,0,1|3,0,0]=4 2159 B10R0.2 CCNC(=O)CC(C)SCC 240690a_100015525214_200011311441 [0,0,0,0,0,1|3,0,0]=4 2160 B10R0.2 CCNC(=O)CC(C)SCC 527a_100015525214_200011311441 [0,0,0,0,0,1|3,0,0]=4 2161 B10R0.2 CCNC(=O)N[C@H](C)CCO 2708a_100015525214_100000706166 [0,0,0,0,0,1|3,0,0]=4 2162 B10R0.2 CCNC(=O)N[C@H](C)CCO 273464a_100000706166_100015525214 [0,0,0,0,0,1|3,0,0]=4 2163 B10R0.2 CCNC(=O)N[C@H](C)CCO 512a_100000706166_100015525214 [0,0,0,0,0,1|3,0,0]=4 2164 B10R0.2 CCNC(=O)N[C@H](C)CCO 512a_100015525214_100000706166 [0,0,0,0,0,1|3,0,0]=4 2165 B10R0.2 CCNC(=O)N[C@H](C)COC 2708a_100000764878_100015525214 [0,0,0,0,0,1|3,0,0]=4 2166 B10R0.2 CCNC(=O)N[C@H](C)COC 2708a_100015525214_100000764878 [0,0,0,0,0,1|3,0,0]=4 2167 B10R0.2 CCNC(=O)N[C@H](C)COC 273464a_100000764878_100015525214 [0,0,0,0,0,1|3,0,0]=4 2168 B10R0.2 CCNC(=O)N[C@H](C)COC 273464a_100015525214_100000764878 [0,0,0,0,0,1|3,0,0]=4 2169 B10R0.2 CCNC(=O)N[C@H](C)COC 512a_100000764878_100015525214 [0,0,0,0,0,1|3,0,0]=4 2170 B10R0.2 CCNC(=O)N[C@H](C)COC 512a_100015525214_100000764878 [0,0,0,0,0,1|3,0,0]=4 2171 B10R0.2 CCNC(C)CC(=O)OCC 2230a_100015525214_100009817359 [0,0,0,0,0,1|3,0,0]=4 2172 B10R0.2 CCOC(=O)CC(C)SCC 62a_100000210202_100009817359 [0,0,0,0,0,1|3,0,0]=4 2173 B10R0.2 CCOC(=O)CC(C)SCC 62a_100009817359_100000210202 [0,0,0,0,0,1|3,0,0]=4 2174 B10R0.2 CCOC(=O)C[C@@H](C)OCC 7a_100009816390_100000210202 [0,0,0,0,0,1|3,0,0]=4 2175 B10R0.2 CCOC(=O)C[C@H](O)CNC 34a_100102657272_100000688340 [0,0,0,0,0,1|2,0,0]=3 2176 B10R0.2 CCOC(=O)C[C@H](O)CNC 7a_106832991635_100000688340 [0,0,0,0,0,1|2,0,0]=3 2177 B10R0.2 CCOC(=O)C[C@H](O)COC 34a_100138415774_100000688340 [0,0,0,0,0,1|2,0,0]=3 2178 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_100000688340_200000210301 [0,0,0,0,0,1|2,0,0]=3 2179 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_200000210301_100000688340 [0,0,0,0,0,1|2,0,0]=3 2180 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_100000688340_200025704644 [0,0,0,0,0,1|2,0,0]=3 2181 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_200025704644_100000688340 [0,0,0,0,0,1|2,0,0]=3 2182 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000036008_100000210202 [0,0,0,0,0,1|3,0,0]=4 2183 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000210202_100000036008 [0,0,0,0,0,1|3,0,0]=4 2184 B10R0.2 CCSC(C)CC(=O)CCF 1458a_200011311441_100011217306 [0,0,0,0,0,1|3,0,0]=4 2185 B10R0.2 CCSC(C)CC(=O)CCO 1458a_200011311441_100000211926 [0,0,0,0,0,1|3,0,0]=4 2186 B10R0.2 COCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210968 [0,0,0,0,0,1|3,0,0]=4 2187 B10R0.2 COCC(=O)N[C@H](C)CCO 527a_100000706166_100000210968 [0,0,0,0,0,1|3,0,0]=4 2188 B10R0.2 COCC(=O)N[C@H](C)COC 11a_100000764878_100000210968 [0,0,0,0,0,1|3,0,0]=4 2189 B10R0.2 COCC(=O)N[C@H](C)COC 1626a_100000764878_100000210968 [0,0,0,0,0,1|3,0,0]=4 2190 B10R0.2 COCC(=O)N[C@H](C)COC 240690a_100000764878_100000210968 [0,0,0,0,0,1|3,0,0]=4 2191 B10R0.2 COCC(=O)N[C@H](C)COC 527a_100000764878_100000210968 [0,0,0,0,0,1|3,0,0]=4 2192 B10R0.2 COC[C@@H](C)NC(=O)CCO 240690a_100000764878_100011216618 [0,0,0,0,0,1|3,0,0]=4 2193 B10R0.2 COC[C@@H](C)NC(=O)CSC 11a_100000764878_100000184570 [0,0,0,0,0,1|3,0,0]=4 2194 B10R0.2 COC[C@@H](C)NC(=O)CSC 1626a_100000764878_100000184570 [0,0,0,0,0,1|3,0,0]=4 2195 B10R0.2 COC[C@@H](C)NC(=O)CSC 240690a_100000764878_100000184570 [0,0,0,0,0,1|3,0,0]=4 2196 B10R0.2 COC[C@@H](C)NC(=O)CSC 527a_100000764878_100000184570 [0,0,0,0,0,1|3,0,0]=4 2197 B10R0.2 CSCC(=O)N[C@H](C)CCO 240690a_100000706166_100000184570 [0,0,0,0,0,1|3,0,0]=4 2198 B10R0.2 CSCC(=O)N[C@H](C)CCO 527a_100000706166_100000184570 [0,0,0,0,0,1|3,0,0]=4 2199 B10R0.2 C[C@H](CCO)NC(=O)CCO 240690a_100000706166_100011216618 [0,0,0,0,0,1|3,0,0]=4 2200 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [2,0,0,0,0,0|1,0,1]=4 2201 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [2,0,0,0,0,0|1,0,1]=4 2202 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [2,0,0,0,0,0|1,0,1]=4 2203 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [2,0,0,0,0,0|1,0,1]=4 2204 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [2,0,0,0,0,0|1,0,1]=4 2205 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [2,0,0,0,0,0|1,0,1]=4 2206 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [2,0,0,0,0,0|1,0,1]=4 2207 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [2,0,0,0,0,0|1,0,1]=4 2208 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [2,0,0,0,0,0|1,0,1]=4 2209 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [2,0,0,0,0,0|1,0,1]=4 2210 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [2,0,0,0,0,0|1,0,1]=4 2211 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [2,0,0,0,0,0|1,0,1]=4 2212 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [2,0,0,0,0,0|1,0,1]=4 2213 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [2,0,0,0,0,0|1,0,1]=4 2214 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [2,0,0,0,0,0|1,0,1]=4 2215 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [2,0,0,0,0,0|1,0,1]=4 2216 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [2,0,0,0,0,0|1,0,1]=4 2217 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [2,0,0,0,0,0|1,0,1]=4 2218 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [2,0,0,0,0,0|1,0,1]=4 2219 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [2,0,0,0,0,0|1,0,1]=4 2220 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [2,0,0,0,0,0|1,0,1]=4 2221 B7R0.1 CCCC=NNCC 4a_100000756455_100000185831 [2,0,0,0,0,0|2,0,0]=4 2222 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [2,0,0,0,0,0|1,0,1]=4 2223 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [2,0,0,0,0,0|1,0,1]=4 2224 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [2,0,0,0,0,0|1,0,1]=4 2225 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [2,0,0,0,0,0|1,0,1]=4 2226 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [2,0,0,0,0,0|1,0,1]=4 2227 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [2,0,0,0,0,0|1,0,1]=4 2228 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [2,0,0,0,0,0|1,0,1]=4 2229 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [2,0,0,0,0,0|1,0,1]=4 2230 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [2,0,0,0,0,0|1,0,1]=4 2231 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [2,0,0,0,0,0|1,0,1]=4 2232 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [2,0,0,0,0,0|1,0,1]=4 2233 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [2,0,0,0,0,0|1,0,1]=4 2234 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [2,0,0,0,0,0|1,0,1]=4 2235 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [2,0,0,0,0,0|1,0,1]=4 2236 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [2,0,0,0,0,0|1,0,1]=4 2237 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [2,0,0,0,0,0|1,0,1]=4 2238 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [2,0,0,0,0,0|1,0,1]=4 2239 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [2,0,0,0,0,0|1,0,1]=4 2240 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [2,0,0,0,0,0|1,0,1]=4 2241 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [2,0,0,0,0,0|1,0,1]=4 2242 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [2,0,0,0,0,0|1,0,1]=4 2243 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [2,0,0,0,0,0|1,0,0]=3 2244 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [2,0,0,0,0,0|1,0,0]=3 2245 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [2,0,0,0,0,0|2,0,0]=4 2246 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [2,0,0,0,0,0|2,0,0]=4 2247 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [2,0,0,0,0,0|2,0,0]=4 2248 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [2,0,0,0,0,0|2,0,0]=4 2249 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [2,0,0,0,0,0|2,0,0]=4 2250 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [2,0,0,0,0,0|2,0,0]=4 2251 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [2,0,0,0,0,0|2,0,0]=4 2252 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [2,0,0,0,0,0|2,0,0]=4 2253 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [2,0,0,0,0,0|2,0,0]=4 2254 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [2,0,0,0,0,0|2,0,0]=4 2255 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [2,0,0,0,0,0|1,0,0]=3 2256 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [2,0,0,0,0,0|1,0,0]=3 2257 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [2,0,0,0,0,0|1,0,0]=3 2258 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [2,0,0,0,0,0|2,0,0]=4 2259 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [2,0,0,0,0,0|2,0,0]=4 2260 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [2,0,0,0,0,0|2,0,0]=4 2261 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [2,0,0,0,0,0|2,0,0]=4 2262 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [2,0,0,0,0,0|2,0,0]=4 2263 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [2,0,0,0,0,0|2,0,0]=4 2264 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [2,0,0,0,0,0|2,0,0]=4 2265 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [2,0,0,0,0,0|2,0,0]=4 2266 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [2,0,0,0,0,0|2,0,0]=4 2267 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [2,0,0,0,0,0|2,0,0]=4 2268 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [2,0,0,0,0,0|2,0,0]=4 2269 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [2,0,0,0,0,0|2,0,0]=4 2270 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [2,0,0,0,0,0|2,0,0]=4 2271 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [2,0,0,0,0,0|1,0,0]=3 2272 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [2,0,0,0,0,0|1,0,0]=3 2273 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [2,0,0,0,0,0|2,0,0]=4 2274 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [2,0,0,0,0,0|2,0,0]=4 2275 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [2,0,0,0,0,0|2,0,0]=4 2276 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [2,0,0,0,0,0|2,0,0]=4 2277 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [2,0,0,0,0,0|2,0,0]=4 2278 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [2,0,0,0,0,0|2,0,0]=4 2279 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [2,0,0,0,0,0|2,0,0]=4 2280 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [2,0,0,0,0,0|2,0,0]=4 2281 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [2,0,0,0,0,0|2,0,0]=4 2282 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [2,0,0,0,0,0|2,0,0]=4 2283 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [2,0,0,0,0,0|2,0,0]=4 2284 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [2,0,0,0,0,0|2,0,0]=4 2285 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [2,0,0,0,0,0|2,0,0]=4 2286 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [2,0,0,0,0,0|2,0,0]=4 2287 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [2,0,0,0,0,0|2,0,0]=4 2288 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [2,0,0,0,0,0|2,0,0]=4 2289 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [2,0,0,0,0,0|2,0,0]=4 2290 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [2,0,0,0,0,0|2,0,0]=4 2291 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [2,0,0,0,0,0|2,0,0]=4 2292 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [2,0,0,0,0,0|2,0,0]=4 2293 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [2,0,0,0,0,0|2,0,0]=4 2294 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [2,0,0,0,0,0|2,0,0]=4 2295 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [2,0,0,0,0,0|2,0,0]=4 2296 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [2,0,0,0,0,0|2,0,0]=4 2297 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [2,0,0,0,0,0|2,0,0]=4 2298 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [2,0,0,0,0,0|2,0,0]=4 2299 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [2,0,0,0,0,0|2,0,0]=4 2300 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [2,0,0,0,0,0|2,0,0]=4 2301 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [2,0,0,0,0,0|2,0,0]=4 2302 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [2,0,0,0,0,0|2,0,0]=4 2303 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [2,0,0,0,0,0|2,0,0]=4 2304 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [2,0,0,0,0,0|2,0,0]=4 2305 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [2,0,0,0,0,0|2,0,0]=4 2306 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [2,0,0,0,0,0|2,0,0]=4 2307 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [2,0,0,0,0,0|2,0,0]=4 2308 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [2,0,0,0,0,0|2,0,0]=4 2309 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [2,0,0,0,0,0|2,0,0]=4 2310 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [2,0,0,0,0,0|2,0,0]=4 2311 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [2,0,0,0,0,0|2,0,0]=4 2312 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [2,0,0,0,0,0|2,0,0]=4 2313 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [2,0,0,0,0,0|2,0,0]=4 2314 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [2,0,0,0,0,0|2,0,0]=4 2315 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [2,0,0,0,0,0|2,0,0]=4 2316 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [2,0,0,0,0,0|2,0,0]=4 2317 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [2,0,0,0,0,0|2,0,0]=4 2318 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [2,0,0,0,0,0|2,0,0]=4 2319 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [2,0,0,0,0,0|2,0,0]=4 2320 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [2,0,0,0,0,0|2,0,0]=4 2321 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [2,0,0,0,0,0|2,0,0]=4 2322 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [2,0,0,0,0,0|2,0,0]=4 2323 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [2,0,0,0,0,0|2,0,0]=4 2324 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [2,0,0,0,0,0|2,0,0]=4 2325 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [2,0,0,0,0,0|2,0,0]=4 2326 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [2,0,0,0,0,0|2,0,0]=4 2327 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [2,0,0,0,0,0|2,0,0]=4 2328 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [2,0,0,0,0,0|0,0,2]=4 2329 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [2,0,0,0,0,0|0,0,2]=4 2330 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [2,0,0,0,0,0|0,0,2]=4 2331 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [2,0,0,0,0,0|0,0,2]=4 2332 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [2,0,0,0,0,0|0,0,2]=4 2333 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [2,0,0,0,0,0|0,0,2]=4 2334 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [2,0,0,0,0,0|0,0,2]=4 2335 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [2,0,0,0,0,0|0,0,2]=4 2336 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [2,0,0,0,0,0|0,0,2]=4 2337 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [2,0,0,0,0,0|0,0,2]=4 2338 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [2,0,0,0,0,0|0,0,2]=4 2339 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [2,0,0,0,0,0|1,0,1]=4 2340 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [2,0,0,0,0,0|1,0,1]=4 2341 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [2,0,0,0,0,0|1,0,0]=3 2342 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [2,0,0,0,0,0|1,0,0]=3 2343 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [2,0,0,0,0,0|1,0,0]=3 2344 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [2,0,0,0,0,0|1,0,0]=3 2345 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [2,0,0,0,0,0|1,0,0]=3 2346 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [2,0,0,0,0,0|1,0,0]=3 2347 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [2,0,0,0,0,0|2,0,0]=4 2348 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [2,0,0,0,0,0|2,0,0]=4 2349 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [2,0,0,0,0,0|2,0,0]=4 2350 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [2,0,0,0,0,0|2,0,0]=4 2351 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [2,0,0,0,0,0|2,0,0]=4 2352 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [2,0,0,0,0,0|2,0,0]=4 2353 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [2,0,0,0,0,0|2,0,0]=4 2354 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [2,0,0,0,0,0|2,0,0]=4 2355 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [2,0,0,0,0,0|2,0,0]=4 2356 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [2,0,0,0,0,0|0,0,2]=4 2357 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [2,0,0,0,0,0|0,0,0]=2 2358 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [2,0,0,0,0,0|0,0,0]=2 2359 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [2,0,0,0,0,0|1,0,0]=3 2360 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [2,0,0,0,0,0|1,0,0]=3 2361 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [2,0,0,0,0,0|1,0,0]=3 2362 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [2,0,0,0,0,0|1,0,0]=3 2363 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [2,0,0,0,0,0|1,0,0]=3 2364 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [2,0,0,0,0,0|1,0,0]=3 2365 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [2,0,0,0,0,0|2,0,0]=4 2366 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [2,0,0,0,0,0|2,0,0]=4 2367 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [2,0,0,0,0,0|2,0,0]=4 2368 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [2,0,0,0,0,0|2,0,0]=4 2369 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [2,0,0,0,0,0|2,0,0]=4 2370 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [2,0,0,0,0,0|2,0,0]=4 2371 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [2,0,0,0,0,0|2,0,0]=4 2372 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [2,0,0,0,0,0|2,0,0]=4 2373 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [2,0,0,0,0,0|1,0,0]=3 2374 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [2,0,0,0,0,0|1,0,0]=3 2375 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [2,0,0,0,0,0|1,0,0]=3 2376 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [2,0,0,0,0,0|1,0,0]=3 2377 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [2,0,0,0,0,0|2,0,0]=4 2378 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [2,0,0,0,0,0|2,0,0]=4 2379 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [2,0,0,0,0,0|2,0,0]=4 2380 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [2,0,0,0,0,0|2,0,0]=4 2381 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [2,0,0,0,0,0|2,0,0]=4 2382 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [2,0,0,0,0,0|2,0,0]=4 2383 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [2,0,0,0,0,0|2,0,0]=4 2384 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [2,0,0,0,0,0|2,0,0]=4 2385 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [2,0,0,0,0,0|2,0,0]=4 2386 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [2,0,0,0,0,0|2,0,0]=4 2387 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [2,0,0,0,0,0|2,0,0]=4 2388 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [2,0,0,0,0,0|2,0,0]=4 2389 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [2,0,0,0,0,0|2,0,0]=4 2390 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [2,0,0,0,0,0|2,0,0]=4 2391 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [2,0,0,0,0,0|2,0,0]=4 2392 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [2,0,0,0,0,0|2,0,0]=4 2393 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [2,0,0,0,0,0|1,0,1]=4 2394 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [2,0,0,0,0,0|1,0,1]=4 2395 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [2,0,0,0,0,0|2,0,0]=4 2396 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [2,0,0,0,0,0|1,0,0]=3 2397 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [2,0,0,0,0,0|1,0,0]=3 2398 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [2,0,0,0,0,0|2,0,0]=4 2399 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [2,0,0,0,0,0|2,0,0]=4 2400 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [2,0,0,0,0,0|2,0,0]=4 2401 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [2,0,0,0,0,0|2,0,0]=4 2402 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [2,0,0,0,0,0|2,0,0]=4 2403 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [2,0,0,0,0,0|2,0,0]=4 2404 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [2,0,0,0,0,0|2,0,0]=4 2405 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [2,0,0,0,0,0|2,0,0]=4 2406 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [2,0,0,0,0,0|1,0,1]=4 2407 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [2,0,0,0,0,0|1,0,0]=3 2408 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [2,0,0,0,0,0|1,0,0]=3 2409 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [2,0,0,0,0,0|1,0,0]=3 2410 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [2,0,0,0,0,0|2,0,0]=4 2411 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [2,0,0,0,0,0|2,0,0]=4 2412 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [2,0,0,0,0,0|2,0,0]=4 2413 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [2,0,0,0,0,0|2,0,0]=4 2414 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [2,0,0,0,0,0|2,0,0]=4 2415 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [2,0,0,0,0,0|2,0,0]=4 2416 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [2,0,0,0,0,0|2,0,0]=4 2417 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [2,0,0,0,0,0|2,0,0]=4 2418 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [2,0,0,0,0,0|2,0,0]=4 2419 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [2,0,0,0,0,0|1,0,1]=4 2420 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [2,0,0,0,0,0|1,0,1]=4 2421 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [2,0,0,0,0,0|2,0,0]=4 2422 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [2,0,0,0,0,0|2,0,0]=4 2423 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [2,0,0,0,0,0|2,0,0]=4 2424 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [2,0,0,0,0,0|2,0,0]=4 2425 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [2,0,0,0,0,0|2,0,0]=4 2426 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [2,0,0,0,0,0|2,0,0]=4 2427 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [2,0,0,0,0,0|2,0,0]=4 2428 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [2,0,0,0,0,0|2,0,0]=4 2429 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [2,0,0,0,0,0|2,0,0]=4 2430 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [2,0,0,0,0,0|2,0,0]=4 2431 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [2,0,0,0,0,0|2,0,0]=4 2432 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [2,0,0,0,0,0|2,0,0]=4 2433 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [2,0,0,0,0,0|2,0,0]=4 2434 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [2,0,0,0,0,0|2,0,0]=4 2435 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [2,0,0,0,0,0|2,0,0]=4 2436 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [2,0,0,0,0,0|2,0,0]=4 2437 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [2,0,0,0,0,0|2,0,0]=4 2438 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [2,0,0,0,0,0|2,0,0]=4 2439 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [2,0,0,0,0,0|2,0,0]=4 2440 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [2,0,0,0,0,0|2,0,0]=4 2441 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [2,0,0,0,0,0|2,0,0]=4 2442 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [2,0,0,0,0,0|2,0,0]=4 2443 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [2,0,0,0,0,0|2,0,0]=4 2444 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [2,0,0,0,0,0|2,0,0]=4 2445 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [2,0,0,0,0,0|2,0,0]=4 2446 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [2,0,0,0,0,0|2,0,0]=4 2447 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [2,0,0,0,0,0|2,0,0]=4 2448 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [2,0,0,0,0,0|2,0,0]=4 2449 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [2,0,0,0,0,0|2,0,0]=4 2450 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [2,0,0,0,0,0|2,0,0]=4 2451 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [2,0,0,0,0,0|2,0,0]=4 2452 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [2,0,0,0,0,0|2,0,0]=4 2453 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [2,0,0,0,0,0|2,0,0]=4 2454 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [2,0,0,0,0,0|2,0,0]=4 2455 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [2,0,0,0,0,0|2,0,0]=4 2456 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [2,0,0,0,0,0|2,0,0]=4 2457 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [2,0,0,0,0,0|0,0,2]=4 2458 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [2,0,0,0,0,0|0,0,2]=4 2459 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [2,0,0,0,0,0|0,0,2]=4 2460 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [2,0,0,0,0,0|0,0,2]=4 2461 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [2,0,0,0,0,0|0,0,2]=4 2462 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [2,0,0,0,0,0|0,0,2]=4 2463 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [2,0,0,0,0,0|1,0,1]=4 2464 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [2,0,0,0,0,0|1,0,1]=4 2465 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [2,0,0,0,0,0|0,0,0]=2 2466 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [2,0,0,0,0,0|1,0,0]=3 2467 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [2,0,0,0,0,0|1,0,0]=3 2468 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [2,0,0,0,0,0|1,0,0]=3 2469 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [2,0,0,0,0,0|1,0,0]=3 2470 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [2,0,0,0,0,0|1,0,0]=3 2471 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [2,0,0,0,0,0|1,0,0]=3 2472 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [2,0,0,0,0,0|1,0,0]=3 2473 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [2,0,0,0,0,0|1,0,0]=3 2474 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [2,0,0,0,0,0|1,0,0]=3 2475 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [2,0,0,0,0,0|1,0,0]=3 2476 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [2,0,0,0,0,0|1,0,0]=3 2477 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 2478 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 2479 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 2480 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [2,0,0,0,0,0|2,0,0]=4 2481 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [2,0,0,0,0,0|2,0,0]=4 2482 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [2,0,0,0,0,0|2,0,0]=4 2483 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [2,0,0,0,0,0|2,0,0]=4 2484 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [2,0,0,0,0,0|2,0,0]=4 2485 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [2,0,0,0,0,0|2,0,0]=4 2486 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [2,0,0,0,0,0|2,0,0]=4 2487 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [2,0,0,0,0,0|2,0,0]=4 2488 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [2,0,0,0,0,0|2,0,0]=4 2489 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [2,0,0,0,0,0|2,0,0]=4 2490 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [2,0,0,0,0,0|2,0,0]=4 2491 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [2,0,0,0,0,0|2,0,0]=4 2492 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [2,0,0,0,0,0|2,0,0]=4 2493 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [2,0,0,0,0,0|2,0,0]=4 2494 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [2,0,0,0,0,0|2,0,0]=4 2495 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [2,0,0,0,0,0|2,0,0]=4 2496 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [2,0,0,0,0,0|2,0,0]=4 2497 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [2,0,0,0,0,0|2,0,0]=4 2498 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [2,0,0,0,0,0|2,0,0]=4 2499 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [2,0,0,0,0,0|2,0,0]=4 2500 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [2,0,0,0,0,0|2,0,0]=4 2501 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [2,0,0,0,0,0|2,0,0]=4 2502 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [2,0,0,0,0,0|2,0,0]=4 2503 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [2,0,0,0,0,0|2,0,0]=4 2504 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [2,0,0,0,0,0|2,0,0]=4 2505 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [2,0,0,0,0,0|2,0,0]=4 2506 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [2,0,0,0,0,0|2,0,0]=4 2507 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [2,0,0,0,0,0|2,0,0]=4 2508 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [2,0,0,0,0,0|2,0,0]=4 2509 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [2,0,0,0,0,0|2,0,0]=4 2510 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [2,0,0,0,0,0|2,0,0]=4 2511 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [2,0,0,0,0,0|2,0,0]=4 2512 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [2,0,0,0,0,0|2,0,0]=4 2513 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [2,0,0,0,0,0|2,0,0]=4 2514 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [2,0,0,0,0,0|2,0,0]=4 2515 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [2,0,0,0,0,0|2,0,0]=4 2516 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 2517 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 2518 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [2,0,0,0,0,0|2,0,0]=4 2519 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 2520 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 2521 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 2522 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 2523 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [2,0,0,0,0,0|2,0,0]=4 2524 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [2,0,0,0,0,0|2,0,0]=4 2525 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [2,0,0,0,0,0|2,0,0]=4 2526 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [2,0,0,0,0,0|2,0,0]=4 2527 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 2528 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 2529 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 2530 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [2,0,0,0,0,0|2,0,0]=4 2531 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [2,0,0,0,0,0|2,0,0]=4 2532 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [2,0,0,0,0,0|2,0,0]=4 2533 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [2,0,0,0,0,0|2,0,0]=4 2534 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [2,0,0,0,0,0|2,0,0]=4 2535 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [2,0,0,0,0,0|2,0,0]=4 2536 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [2,0,0,0,0,0|2,0,0]=4 2537 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [2,0,0,0,0,0|2,0,0]=4 2538 B7R0.7 CNCC(O)COC 2230a_100000756049_200000210301 [2,0,0,0,0,0|2,0,0]=4 2539 B7R0.7 CNCC(O)COC 34a_100000756049_200000210301 [2,0,0,0,0,0|2,0,0]=4 2540 B7R0.7 CNCC(O)COC 34a_100102657272_100011215053 [2,0,0,0,0,0|2,0,0]=4 2541 B7R0.7 CNCC(O)COC 7a_106832991635_100011215053 [2,0,0,0,0,0|2,0,0]=4 2542 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [2,0,0,0,0,0|2,0,0]=4 2543 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [2,0,0,0,0,0|2,0,0]=4 2544 B7R0.7 COCC(O)CN[13CH3] 2230a_100000756049_200025704644 [2,0,0,0,0,0|2,0,0]=4 2545 B7R0.7 COCC(O)CN[13CH3] 34a_100000756049_200025704644 [2,0,0,0,0,0|2,0,0]=4 2546 B7R0.7 COCC(O)COC 34a_100138415774_100011215053 [2,0,0,0,0,0|2,0,0]=4 2547 B7R0.7 COCC(O)CSC 62a_100011215053_200000210301 [2,0,0,0,0,0|2,0,0]=4 2548 B7R0.7 COCC(O)CSC 62a_200000210301_100011215053 [2,0,0,0,0,0|2,0,0]=4 2549 B7R0.7 COCC(O)CS[13CH3] 62a_100011215053_200025704644 [2,0,0,0,0,0|2,0,0]=4 2550 B7R0.7 COCC(O)CS[13CH3] 62a_200025704644_100011215053 [2,0,0,0,0,0|2,0,0]=4 2551 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [2,0,0,0,0,0|2,0,0]=4 2552 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [2,0,0,0,0,0|2,0,0]=4 2553 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [2,0,0,0,0,0|2,0,0]=4 2554 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [2,0,0,0,0,0|2,0,0]=4 2555 B7R0.5 C#CCC(=O)[C@@H](C)O 1458a_100000717761_100000184674 [2,0,0,0,0,0|0,0,2]=4 2556 B7R0.5 C#CCC(=O)[C@H](C)O 1458a_217856618621_100000184674 [2,0,0,0,0,0|0,0,2]=4 2557 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [2,0,0,0,0,0|1,0,1]=4 2558 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [2,0,0,0,0,0|0,0,2]=4 2559 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [2,0,0,0,0,0|0,0,2]=4 2560 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [2,0,0,0,0,0|2,0,0]=4 2561 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [2,0,0,0,0,0|2,0,0]=4 2562 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [2,0,0,0,0,0|2,0,0]=4 2563 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [2,0,0,0,0,0|2,0,0]=4 2564 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [2,0,0,0,0,0|2,0,0]=4 2565 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [2,0,0,0,0,0|2,0,0]=4 2566 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [2,0,0,0,0,0|2,0,0]=4 2567 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [2,0,0,0,0,0|2,0,0]=4 2568 B7R0.5 CC(F)C(=O)CCF 1458a_100000062450_100011217306 [2,0,0,0,0,0|2,0,0]=4 2569 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [2,0,0,0,0,0|2,0,0]=4 2570 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [2,0,0,0,0,0|1,0,0]=3 2571 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [2,0,0,0,0,0|1,0,0]=3 2572 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [2,0,0,0,0,0|1,0,0]=3 2573 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [2,0,0,0,0,0|1,0,0]=3 2574 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [2,0,0,0,0,0|2,0,0]=4 2575 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [2,0,0,0,0,0|2,0,0]=4 2576 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [2,0,0,0,0,0|2,0,0]=4 2577 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [2,0,0,0,0,0|2,0,0]=4 2578 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [2,0,0,0,0,0|0,0,0]=2 2579 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [2,0,0,0,0,0|0,0,0]=2 2580 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [2,0,0,0,0,0|1,0,0]=3 2581 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [2,0,0,0,0,0|1,0,0]=3 2582 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [2,0,0,0,0,0|1,0,0]=3 2583 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [2,0,0,0,0,0|2,0,0]=4 2584 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [2,0,0,0,0,0|2,0,0]=4 2585 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [2,0,0,0,0,0|2,0,0]=4 2586 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [2,0,0,0,0,0|2,0,0]=4 2587 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [2,0,0,0,0,0|0,0,0]=2 2588 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [2,0,0,0,0,0|0,0,0]=2 2589 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [2,0,0,0,0,0|2,0,0]=4 2590 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [2,0,0,0,0,0|2,0,0]=4 2591 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [2,0,0,0,0,0|2,0,0]=4 2592 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [2,0,0,0,0,0|2,0,0]=4 2593 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [2,0,0,0,0,0|2,0,0]=4 2594 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [2,0,0,0,0,0|2,0,0]=4 2595 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [2,0,0,0,0,0|2,0,0]=4 2596 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [2,0,0,0,0,0|1,0,0]=3 2597 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [2,0,0,0,0,0|1,0,0]=3 2598 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [2,0,0,0,0,0|2,0,0]=4 2599 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [2,0,0,0,0,0|2,0,0]=4 2600 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [2,0,0,0,0,0|2,0,0]=4 2601 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [2,0,0,0,0,0|2,0,0]=4 2602 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [2,0,0,0,0,0|2,0,0]=4 2603 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [2,0,0,0,0,0|2,0,0]=4 2604 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [2,0,0,0,0,0|2,0,0]=4 2605 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [2,0,0,0,0,0|2,0,0]=4 2606 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [2,0,0,0,0,0|2,0,0]=4 2607 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [2,0,0,0,0,0|2,0,0]=4 2608 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [2,0,0,0,0,0|2,0,0]=4 2609 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [2,0,0,0,0,0|2,0,0]=4 2610 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [2,0,0,0,0,0|2,0,0]=4 2611 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [2,0,0,0,0,0|2,0,0]=4 2612 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [2,0,0,0,0,0|2,0,0]=4 2613 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [2,0,0,0,0,0|2,0,0]=4 2614 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [2,0,0,0,0,0|2,0,0]=4 2615 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [2,0,0,0,0,0|2,0,0]=4 2616 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [2,0,0,0,0,0|2,0,0]=4 2617 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [2,0,0,0,0,0|2,0,0]=4 2618 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [2,0,0,0,0,0|2,0,0]=4 2619 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [2,0,0,0,0,0|2,0,0]=4 2620 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [2,0,0,0,0,0|2,0,0]=4 2621 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [2,0,0,0,0,0|2,0,0]=4 2622 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [2,0,0,0,0,0|2,0,0]=4 2623 B7R0.5 C[C@@H](O)C(=O)CC#N 1458a_100000717761_100011214920 [2,0,0,0,0,0|1,0,1]=4 2624 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [2,0,0,0,0,0|1,0,0]=3 2625 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [2,0,0,0,0,0|1,0,0]=3 2626 B7R0.5 C[C@H](O)C(=O)CC#N 1458a_217856618621_100011214920 [2,0,0,0,0,0|1,0,1]=4 2627 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [2,0,0,0,0,0|1,0,0]=3 2628 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [2,0,0,0,0,0|1,0,0]=3 2629 B7R0.5 O=C(CCF)C(O)O 1458a_100000233687_100011217306 [2,0,0,0,0,0|2,0,0]=4 2630 B7R0.5 O=C(CCO)C(O)O 1458a_100000233687_100000211926 [2,0,0,0,0,0|2,0,0]=4 2631 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [2,0,0,0,0,0|1,0,0]=3 2632 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [2,0,0,0,0,0|1,0,0]=3 2633 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [2,0,0,0,0,0|2,0,0]=4 2634 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [2,0,0,0,0,0|2,0,0]=4 2635 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [2,0,0,0,0,0|2,0,0]=4 2636 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [2,0,0,0,0,0|2,0,0]=4 2637 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [2,0,0,0,0,0|2,0,0]=4 2638 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [2,0,0,0,0,0|2,0,0]=4 2639 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [2,0,0,0,0,0|2,0,0]=4 2640 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [2,0,0,0,0,0|2,0,0]=4 2641 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [2,0,0,0,0,0|0,0,0]=2 2642 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [2,0,0,0,0,0|1,0,0]=3 2643 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [2,0,0,0,0,0|2,0,0]=4 2644 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [2,0,0,0,0,0|2,0,0]=4 2645 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [2,0,0,0,0,0|2,0,0]=4 2646 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [2,0,0,0,0,0|2,0,0]=4 2647 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [2,0,0,0,0,0|2,0,0]=4 2648 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [2,0,0,0,0,0|2,0,0]=4 2649 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [2,0,0,0,0,0|2,0,0]=4 2650 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [2,0,0,0,0,0|2,0,0]=4 2651 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [2,0,0,0,0,0|2,0,0]=4 2652 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [2,0,0,0,0,0|2,0,0]=4 2653 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [2,0,0,0,0,0|1,0,0]=3 2654 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [2,0,0,0,0,0|1,0,0]=3 2655 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [2,0,0,0,0,0|2,0,0]=4 2656 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [2,0,0,0,0,0|2,0,0]=4 2657 B9R0.4 C#CCCC(=O)CC(C)C 1458a_100000210554_100000753159 [1,1,0,0,0,0|0,0,2]=4 2658 B9R0.4 C#CCCC(=O)CC(C)C 1458a_100000692101_100000210624 [1,1,0,0,0,0|0,0,2]=4 2659 B9R0.4 C#CCCC(=O)CC(C)O 1458a_100000692101_100011218427 [1,1,0,0,0,0|0,0,2]=4 2660 B9R0.4 C#CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000753159 [1,1,0,0,0,0|0,0,2]=4 2661 B9R0.4 C/C=C/CC(=O)CC(C)C 1458a_100000210554_100102629194 [1,1,0,0,0,0|0,0,2]=4 2662 B9R0.4 C/C=C/CC(=O)C[C@@H](C)O 1458a_100011933948_100102629194 [1,1,0,0,0,0|0,0,2]=4 2663 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [1,1,0,0,0,0|0,0,1]=3 2664 B9R0.4 C=C(C)CC(=O)CCOC 1458a_100000749529_100000748629 [1,1,0,0,0,0|1,0,1]=4 2665 B9R0.4 C=C(C)CC(=O)CCSC 1458a_100000174002_100000748629 [1,1,0,0,0,0|1,0,1]=4 2666 B9R0.4 C=C(C)CC(=O)COCC 1458a_100000211967_100000748629 [1,1,0,0,0,0|1,0,1]=4 2667 B9R0.4 C=C(C)CC(=O)CSCC 1458a_100000230394_100000748629 [1,1,0,0,0,0|1,0,1]=4 2668 B9R0.4 C=C(F)CC(=O)CCCC 1458a_100000210183_100009893438 [1,1,0,0,0,0|0,0,2]=4 2669 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000210554_100000754431 [1,1,0,0,0,0|0,0,2]=4 2670 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000749702_100000210624 [1,1,0,0,0,0|0,0,2]=4 2671 B9R0.4 C=CCCC(=O)CC(C)O 1458a_100000749702_100011218427 [1,1,0,0,0,0|0,0,2]=4 2672 B9R0.4 C=CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000754431 [1,1,0,0,0,0|0,0,2]=4 2673 B9R0.4 CC#CCC(=O)CC(C)C 1458a_100000210554_100000748600 [1,1,0,0,0,0|0,0,2]=4 2674 B9R0.4 CC#CCC(=O)C[C@@H](C)O 1458a_100011933948_100000748600 [1,1,0,0,0,0|0,0,2]=4 2675 B9R0.4 CC(C)CC(=O)CCC#N 1458a_100000210554_100011215226 [1,1,0,0,0,0|1,0,1]=4 2676 B9R0.4 CC(C)CC(=O)CCC#N 1458a_100011934036_100000210624 [1,1,0,0,0,0|1,0,1]=4 2677 B9R0.4 CC(C)CC(=O)CCCF 1458a_100000210554_100011934791 [1,1,0,0,0,0|1,0,0]=3 2678 B9R0.4 CC(C)CC(=O)CCCO 1458a_100000210554_100011215043 [1,1,0,0,0,0|1,0,0]=3 2679 B9R0.4 CC(C)CC(=O)NCCF 11a_100000724931_100000210554 [1,1,0,0,0,0|2,0,0]=4 2680 B9R0.4 CC(C)CC(=O)NCCF 1626a_100000724931_100000210554 [1,1,0,0,0,0|2,0,0]=4 2681 B9R0.4 CC(C)CC(=O)NCCF 240690a_100000724931_100000210554 [1,1,0,0,0,0|2,0,0]=4 2682 B9R0.4 CC(C)CC(=O)NCCF 527a_100000724931_100000210554 [1,1,0,0,0,0|2,0,0]=4 2683 B9R0.4 CC(C)CC(=O)NCCO 240690a_100000210304_100000210554 [1,1,0,0,0,0|2,0,0]=4 2684 B9R0.4 CC(C)CC(=O)NCCO 527a_100000210304_100000210554 [1,1,0,0,0,0|2,0,0]=4 2685 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_100000737564_200025704644 [1,1,0,0,0,0|2,0,0]=4 2686 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_200025704644_100000737564 [1,1,0,0,0,0|2,0,0]=4 2687 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_100000760027_200025704644 [1,1,0,0,0,0|2,0,0]=4 2688 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_200025704644_100000760027 [1,1,0,0,0,0|2,0,0]=4 2689 B9R0.4 CC(O)CC(=O)CCC#N 1458a_100011934036_100011218427 [1,1,0,0,0,0|1,0,1]=4 2690 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100000210554_100000070051 [1,1,0,0,0,0|0,0,2]=4 2691 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100121576822_100000210624 [1,1,0,0,0,0|0,0,2]=4 2692 B9R0.4 CC=CCC(=O)CC(C)O 1458a_100121576822_100011218427 [1,1,0,0,0,0|0,0,2]=4 2693 B9R0.4 CC=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000070051 [1,1,0,0,0,0|0,0,2]=4 2694 B9R0.4 CCC#CC(=O)CC(C)C 1458a_100011827653_100000210624 [1,1,0,0,0,0|0,0,2]=4 2695 B9R0.4 CCC#CC(=O)CC(C)O 1458a_100011827653_100011218427 [1,1,0,0,0,0|0,0,2]=4 2696 B9R0.4 CCC=CC(=O)CC(C)C 1458a_100000212282_100000210624 [1,1,0,0,0,0|0,0,2]=4 2697 B9R0.4 CCC=CC(=O)CC(C)O 1458a_100000212282_100011218427 [1,1,0,0,0,0|0,0,2]=4 2698 B9R0.4 CCCCC(=O)C=C(C)C 1458a_100000211388_100000210211 [1,1,0,0,0,0|0,0,2]=4 2699 B9R0.4 CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210211 [1,1,0,0,0,0|0,0,2]=4 2700 B9R0.4 CCCCC(=O)C=C(C)I 1458a_100025716642_100000210211 [1,1,0,0,0,0|0,0,2]=4 2701 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100000210183_100000187820 [1,1,0,0,0,0|1,0,1]=4 2702 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100134613110_100000210211 [1,1,0,0,0,0|1,0,1]=4 2703 B9R0.4 CCCCC(=O)CC(=O)[O-] 1458a_100000210183_100020667443 [1,1,0,0,0,0|1,0,1]=4 2704 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [1,1,0,0,0,0|0,0,0]=2 2705 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [1,1,0,0,0,0|0,0,0]=2 2706 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [1,1,0,0,0,0|0,0,0]=2 2707 B9R0.4 CCCCC(=O)CC(F)F 1458a_100000210183_100011934356 [1,1,0,0,0,0|1,0,0]=3 2708 B9R0.4 CCCCC(=O)CN(C)C 1458a_100000750896_100000210211 [1,1,0,0,0,0|1,0,0]=3 2709 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [1,1,0,0,0,0|0,0,0]=2 2710 B9R0.4 CCCCC(=O)C[N+](=O)[O-] 1458a_100000210183_100000761209 [1,1,0,0,0,0|2,0,0]=4 2711 B9R0.4 CCCCC(=O)C[S+](C)C 1458a_200159257847_100000210211 [1,1,0,0,0,0|1,0,0]=3 2712 B9R0.4 CCCCC(=O)NC(C)C 11a_100138425928_100000210183 [1,1,0,0,0,0|1,0,0]=3 2713 B9R0.4 CCCCC(=O)NC(C)C 1626a_100138425928_100000210183 [1,1,0,0,0,0|1,0,0]=3 2714 B9R0.4 CCCCC(=O)NC(C)C 240690a_100138425928_100000210183 [1,1,0,0,0,0|1,0,0]=3 2715 B9R0.4 CCCCC(=O)NC(C)C 527a_100138425928_100000210183 [1,1,0,0,0,0|1,0,0]=3 2716 B9R0.4 CCCCN(C)CC(C)C 2230a_100000207549_100000210760 [1,1,0,0,0,0|2,0,0]=4 2717 B9R0.4 CCCCN(C)CC(C)C 2230a_100000747067_100000210211 [1,1,0,0,0,0|2,0,0]=4 2718 B9R0.4 CCCCN(C)CC(C)C 269982a_100000207549_100000210624 [1,1,0,0,0,0|2,0,0]=4 2719 B9R0.4 CCCCN(C)CC(C)C 269982a_100000747067_100000210211 [1,1,0,0,0,0|2,0,0]=4 2720 B9R0.4 CCCCN(C)CC(C)C 270004a_100000207549_100000210432 [1,1,0,0,0,0|2,0,0]=4 2721 B9R0.4 CCCCN(C)CC(C)O 2230a_100000207549_100011218427 [1,1,0,0,0,0|2,0,0]=4 2722 B9R0.4 CCCCN(C)CC(C)O 2230a_100000227577_100000210211 [1,1,0,0,0,0|2,0,0]=4 2723 B9R0.4 CCCCN(C)CC(C)O 269982a_100000207549_100011218427 [1,1,0,0,0,0|2,0,0]=4 2724 B9R0.4 CCCCN(C)CC(C)O 269982a_100000227577_100000210211 [1,1,0,0,0,0|2,0,0]=4 2725 B9R0.4 CCCCN(C)C[C@@H](C)O 2230a_100000207549_100009817552 [1,1,0,0,0,0|2,0,0]=4 2726 B9R0.4 CCCCN(C)C[C@@H](C)O 269982a_100000207549_100009817552 [1,1,0,0,0,0|2,0,0]=4 2727 B9R0.4 CCCNC(=O)CC(=O)C 1458a_100000070787_100000183358 [1,1,0,0,0,0|1,0,1]=4 2728 B9R0.4 CCCNC(=O)CC(C)C 11a_100020643023_100000210554 [1,1,0,0,0,0|1,0,0]=3 2729 B9R0.4 CCCNC(=O)CC(C)C 1626a_100020643023_100000210554 [1,1,0,0,0,0|1,0,0]=3 2730 B9R0.4 CCCNC(=O)CC(C)C 240690a_100020643023_100000210554 [1,1,0,0,0,0|1,0,0]=3 2731 B9R0.4 CCCNC(=O)CC(C)C 527a_100020643023_100000210554 [1,1,0,0,0,0|1,0,0]=3 2732 B9R0.4 CCCNC(=O)CN(C)C 11a_100020643023_100000750896 [1,1,0,0,0,0|2,0,0]=4 2733 B9R0.4 CCCNC(=O)CN(C)C 2230a_100000684209_200000210301 [1,1,0,0,0,0|2,0,0]=4 2734 B9R0.4 CCCNC(=O)CN(C)C 2230a_100102631434_100000183358 [1,1,0,0,0,0|2,0,0]=4 2735 B9R0.4 CCCNC(=O)CN(C)C 240690a_100020643023_100000750896 [1,1,0,0,0,0|2,0,0]=4 2736 B9R0.4 CCCNC(=O)CN(C)C 269982a_100000684209_200000210301 [1,1,0,0,0,0|2,0,0]=4 2737 B9R0.4 CCCNC(=O)CN(C)C 269982a_100102631434_100000183358 [1,1,0,0,0,0|2,0,0]=4 2738 B9R0.4 CCCNC(=O)CN(C)C 527a_100020643023_100000750896 [1,1,0,0,0,0|2,0,0]=4 2739 B9R0.4 CCCNC(=O)CN(C)[13CH3] 2230a_100000684209_200025704644 [1,1,0,0,0,0|2,0,0]=4 2740 B9R0.4 CCCNC(=O)CN(C)[13CH3] 269982a_100000684209_200025704644 [1,1,0,0,0,0|2,0,0]=4 2741 B9R0.4 CCCNC(=O)C[C@@H](C)O 240690a_100020643023_100011933948 [1,1,0,0,0,0|1,0,0]=3 2742 B9R0.4 CCCNC(=O)C[S+](C)C 11a_100020643023_200159257847 [1,1,0,0,0,0|2,0,0]=4 2743 B9R0.4 CCCNC(=O)C[S+](C)C 1626a_100020643023_200159257847 [1,1,0,0,0,0|2,0,0]=4 2744 B9R0.4 CCCNC(=O)C[S+](C)C 240690a_100020643023_200159257847 [1,1,0,0,0,0|2,0,0]=4 2745 B9R0.4 CCCNC(=O)C[S+](C)C 527a_100020643023_200159257847 [1,1,0,0,0,0|2,0,0]=4 2746 B9R0.4 CCCNC(=O)NC(C)C 2708a_100020643023_100138425928 [1,1,0,0,0,0|2,0,0]=4 2747 B9R0.4 CCCNC(=O)NC(C)C 2708a_100138425928_100020643023 [1,1,0,0,0,0|2,0,0]=4 2748 B9R0.4 CCCNC(=O)NC(C)C 273464a_100138425928_100020643023 [1,1,0,0,0,0|2,0,0]=4 2749 B9R0.4 CCCNC(=O)NC(C)C 512a_100020643023_100138425928 [1,1,0,0,0,0|2,0,0]=4 2750 B9R0.4 CCCNC(=O)NC(C)C 512a_100138425928_100020643023 [1,1,0,0,0,0|2,0,0]=4 2751 B9R0.4 CCCNC(C)CC(C)C 2230a_100000692259_100000210303 [1,1,0,0,0,0|2,0,0]=4 2752 B9R0.4 CCCOC(=O)CC(=O)C 1458a_100000070787_200011215008 [1,1,0,0,0,0|1,0,1]=4 2753 B9R0.4 CCCOC(=O)CN(C)C 2230a_100102631434_200011215008 [1,1,0,0,0,0|2,0,0]=4 2754 B9R0.4 CCCOC(=O)CN(C)C 269982a_100102631434_200011215008 [1,1,0,0,0,0|2,0,0]=4 2755 B9R0.4 CCCOC(C)CC(C)C 34a_100000210258_100000731052 [1,1,0,0,0,0|2,0,0]=4 2756 B9R0.4 CCCOC(C)CC(C)C 34a_100000211805_100000210303 [1,1,0,0,0,0|2,0,0]=4 2757 B9R0.4 CCCOC(C)CC(C)C 7a_100000211805_100000210303 [1,1,0,0,0,0|2,0,0]=4 2758 B9R0.4 CCCSC(C)CC(C)C 62a_100000210303_100000731052 [1,1,0,0,0,0|2,0,0]=4 2759 B9R0.4 CCCSC(C)CC(C)C 62a_100000731052_100000210303 [1,1,0,0,0,0|2,0,0]=4 2760 B9R0.4 CCNCC(=O)NC(C)C 2230a_100000168517_100000210202 [1,1,0,0,0,0|2,0,0]=4 2761 B9R0.4 CCNCC(=O)NC(C)C 2230a_100015525214_100000183996 [1,1,0,0,0,0|2,0,0]=4 2762 B9R0.4 CCNCC(=O)OC(C)C 2230a_100015525214_100011215430 [1,1,0,0,0,0|2,0,0]=4 2763 B9R0.4 CCNNC(=O)CC(C)C 22a_100000756455_100000210554 [1,1,0,0,0,0|2,0,0]=4 2764 B9R0.4 CCNNC(=O)C[C@@H](C)O 22a_100000756455_100011933948 [1,1,0,0,0,0|2,0,0]=4 2765 B9R0.4 CCOCC(=O)CC(C)C 1458a_100000211967_100000210624 [1,1,0,0,0,0|1,0,0]=3 2766 B9R0.4 CCOCC(=O)CC(C)O 1458a_100000211967_100011218427 [1,1,0,0,0,0|1,0,0]=3 2767 B9R0.4 CCOCC(=O)CC(F)F 1458a_100000211967_100011934356 [1,1,0,0,0,0|2,0,0]=4 2768 B9R0.4 CCOCC(=O)NC(C)C 11a_100138425928_100000211967 [1,1,0,0,0,0|2,0,0]=4 2769 B9R0.4 CCOCC(=O)NC(C)C 1626a_100138425928_100000211967 [1,1,0,0,0,0|2,0,0]=4 2770 B9R0.4 CCOCC(=O)NC(C)C 240690a_100138425928_100000211967 [1,1,0,0,0,0|2,0,0]=4 2771 B9R0.4 CCOCC(=O)NC(C)C 34a_100121572206_100000183996 [1,1,0,0,0,0|2,0,0]=4 2772 B9R0.4 CCOCC(=O)NC(C)C 527a_100138425928_100000211967 [1,1,0,0,0,0|2,0,0]=4 2773 B9R0.4 CCOCC(=O)OC(C)C 34a_100121572206_100011215430 [1,1,0,0,0,0|2,0,0]=4 2774 B9R0.4 CCSCC(=O)CC(C)C 1458a_100000230394_100000210624 [1,1,0,0,0,0|1,0,0]=3 2775 B9R0.4 CCSCC(=O)CC(C)O 1458a_100000230394_100011218427 [1,1,0,0,0,0|1,0,0]=3 2776 B9R0.4 CCSCC(=O)CC(F)F 1458a_100000230394_100011934356 [1,1,0,0,0,0|2,0,0]=4 2777 B9R0.4 CCSCC(=O)NC(C)C 11a_100138425928_100000230394 [1,1,0,0,0,0|2,0,0]=4 2778 B9R0.4 CCSCC(=O)NC(C)C 1626a_100138425928_100000230394 [1,1,0,0,0,0|2,0,0]=4 2779 B9R0.4 CCSCC(=O)NC(C)C 240690a_100138425928_100000230394 [1,1,0,0,0,0|2,0,0]=4 2780 B9R0.4 CCSCC(=O)NC(C)C 527a_100138425928_100000230394 [1,1,0,0,0,0|2,0,0]=4 2781 B9R0.4 CCSCC(=O)NC(C)C 62a_100000183996_100000210202 [1,1,0,0,0,0|2,0,0]=4 2782 B9R0.4 CCSCC(=O)NC(C)C 62a_100000210202_100000183996 [1,1,0,0,0,0|2,0,0]=4 2783 B9R0.4 CCSCC(=O)OC(C)C 62a_100000210202_100011215430 [1,1,0,0,0,0|2,0,0]=4 2784 B9R0.4 CCSCC(=O)OC(C)C 62a_100011215430_100000210202 [1,1,0,0,0,0|2,0,0]=4 2785 B9R0.4 CN(C)CC(=O)CCCF 1458a_100000750896_100011934791 [1,1,0,0,0,0|2,0,0]=4 2786 B9R0.4 CN(C)CC(=O)CCCO 1458a_100000750896_100011215043 [1,1,0,0,0,0|2,0,0]=4 2787 B9R0.4 CNCCC(=O)NC(C)C 2230a_106832991635_100000737564 [1,1,0,0,0,0|2,0,0]=4 2788 B9R0.4 CNCCC(=O)NC(C)C 7a_106832991635_100000737564 [1,1,0,0,0,0|2,0,0]=4 2789 B9R0.4 CNCCC(=O)OC(C)C 2230a_106832991635_100000760027 [1,1,0,0,0,0|2,0,0]=4 2790 B9R0.4 CNCCC(=O)OC(C)C 7a_106832991635_100000760027 [1,1,0,0,0,0|2,0,0]=4 2791 B9R0.4 COCCC(=O)CC(C)C 1458a_100000210554_100000233755 [1,1,0,0,0,0|1,0,0]=3 2792 B9R0.4 COCCC(=O)CC(C)C 1458a_100000749529_100000210624 [1,1,0,0,0,0|1,0,0]=3 2793 B9R0.4 COCCC(=O)CC(C)O 1458a_100000749529_100011218427 [1,1,0,0,0,0|1,0,0]=3 2794 B9R0.4 COCCC(=O)CC(F)F 1458a_100000749529_100011934356 [1,1,0,0,0,0|2,0,0]=4 2795 B9R0.4 COCCC(=O)CN(C)C 1458a_100000750896_100000233755 [1,1,0,0,0,0|2,0,0]=4 2796 B9R0.4 COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000233755 [1,1,0,0,0,0|1,0,0]=3 2797 B9R0.4 COCCC(=O)C[S+](C)C 1458a_200159257847_100000233755 [1,1,0,0,0,0|2,0,0]=4 2798 B9R0.4 COCCC(=O)NC(C)C 11a_100138425928_100000749529 [1,1,0,0,0,0|2,0,0]=4 2799 B9R0.4 COCCC(=O)NC(C)C 1626a_100138425928_100000749529 [1,1,0,0,0,0|2,0,0]=4 2800 B9R0.4 COCCC(=O)NC(C)C 240690a_100138425928_100000749529 [1,1,0,0,0,0|2,0,0]=4 2801 B9R0.4 COCCC(=O)NC(C)C 527a_100138425928_100000749529 [1,1,0,0,0,0|2,0,0]=4 2802 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000174002_100000210624 [1,1,0,0,0,0|1,0,0]=3 2803 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000210554_100000751147 [1,1,0,0,0,0|1,0,0]=3 2804 B9R0.4 CSCCC(=O)CC(C)O 1458a_100000174002_100011218427 [1,1,0,0,0,0|1,0,0]=3 2805 B9R0.4 CSCCC(=O)CC(F)F 1458a_100000174002_100011934356 [1,1,0,0,0,0|2,0,0]=4 2806 B9R0.4 CSCCC(=O)CN(C)C 1458a_100000750896_100000751147 [1,1,0,0,0,0|2,0,0]=4 2807 B9R0.4 CSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000751147 [1,1,0,0,0,0|1,0,0]=3 2808 B9R0.4 CSCCC(=O)C[S+](C)C 1458a_200159257847_100000751147 [1,1,0,0,0,0|2,0,0]=4 2809 B9R0.4 CSCCC(=O)NC(C)C 11a_100138425928_100000174002 [1,1,0,0,0,0|2,0,0]=4 2810 B9R0.4 CSCCC(=O)NC(C)C 1626a_100138425928_100000174002 [1,1,0,0,0,0|2,0,0]=4 2811 B9R0.4 CSCCC(=O)NC(C)C 240690a_100138425928_100000174002 [1,1,0,0,0,0|2,0,0]=4 2812 B9R0.4 CSCCC(=O)NC(C)C 527a_100138425928_100000174002 [1,1,0,0,0,0|2,0,0]=4 2813 B9R0.4 CSCCC(=O)NC(C)C 62a_100000737564_200000210301 [1,1,0,0,0,0|2,0,0]=4 2814 B9R0.4 CSCCC(=O)NC(C)C 62a_200000210301_100000737564 [1,1,0,0,0,0|2,0,0]=4 2815 B9R0.4 CSCCC(=O)OC(C)C 62a_100000760027_200000210301 [1,1,0,0,0,0|2,0,0]=4 2816 B9R0.4 CSCCC(=O)OC(C)C 62a_200000210301_100000760027 [1,1,0,0,0,0|2,0,0]=4 2817 B9R0.4 C[C@@H](O)CC(=O)CCC#N 1458a_100011933948_100011215226 [1,1,0,0,0,0|1,0,1]=4 2818 B9R0.4 C[C@@H](O)CC(=O)CCCF 1458a_100011933948_100011934791 [1,1,0,0,0,0|1,0,0]=3 2819 B9R0.4 C[C@@H](O)CC(=O)CCCO 1458a_100011933948_100011215043 [1,1,0,0,0,0|1,0,0]=3 2820 B9R0.4 C[C@@H](O)CC(=O)NCCF 240690a_100000724931_100011933948 [1,1,0,0,0,0|2,0,0]=4 2821 B9R0.4 C[C@@H](O)CC(=O)NCCO 240690a_100000210304_100011933948 [1,1,0,0,0,0|2,0,0]=4 2822 B9R0.4 C[S+](C)CC(=O)CCCF 1458a_200159257847_100011934791 [1,1,0,0,0,0|2,0,0]=4 2823 B9R0.4 C[S+](C)CC(=O)CCCO 1458a_200159257847_100011215043 [1,1,0,0,0,0|2,0,0]=4 2824 B9R0.5 C#CCC(=O)CCCCC 1458a_100000212188_100000184674 [1,1,0,0,0,0|0,0,2]=4 2825 B9R0.5 C#CCC(=O)CCCCC 1458a_100011220946_100000210326 [1,1,0,0,0,0|0,0,2]=4 2826 B9R0.5 C#CCC(=O)CCCCF 1458a_100011220946_100000729493 [1,1,0,0,0,0|0,0,2]=4 2827 B9R0.5 C#CCC(=O)CCCCO 1458a_100000695505_100000184674 [1,1,0,0,0,0|0,0,2]=4 2828 B9R0.5 C#CCC(=O)CCCCO 1458a_100011220946_100000210776 [1,1,0,0,0,0|0,0,2]=4 2829 B9R0.5 C#CCC(=O)CCCOC 1458a_100000741012_100000184674 [1,1,0,0,0,0|0,0,2]=4 2830 B9R0.5 C#CCC(=O)CCCOC 1458a_100011220946_100000740836 [1,1,0,0,0,0|0,0,2]=4 2831 B9R0.5 C#CCC(=O)CCCSC 1458a_100000173376_100000184674 [1,1,0,0,0,0|0,0,2]=4 2832 B9R0.5 C#CCC(=O)CCOCC 1458a_100000749530_100000184674 [1,1,0,0,0,0|0,0,2]=4 2833 B9R0.5 C#CCC(=O)CCOCC 1458a_100011220946_100011215890 [1,1,0,0,0,0|0,0,2]=4 2834 B9R0.5 C#CCC(=O)CCSCC 1458a_100000230768_100000184674 [1,1,0,0,0,0|0,0,2]=4 2835 B9R0.5 C#CCC(=O)CCSCC 1458a_100011220946_100000757381 [1,1,0,0,0,0|0,0,2]=4 2836 B9R0.5 C#CCC(=O)COCCC 1458a_100000745993_100000184674 [1,1,0,0,0,0|0,0,2]=4 2837 B9R0.5 C#CCC(=O)CSCCC 1458a_100000217233_100000184674 [1,1,0,0,0,0|0,0,2]=4 2838 B9R0.5 C#CCC(=O)NCCCC 1626a_100000102301_100011220946 [1,1,0,0,0,0|0,0,2]=4 2839 B9R0.5 C#CCC(=O)NCCCC 527a_100000102301_100011220946 [1,1,0,0,0,0|0,0,2]=4 2840 B9R0.5 C#CCCCC(=O)CCC 1458a_100000211992_100000731252 [1,1,0,0,0,0|0,0,1]=3 2841 B9R0.5 C#CCCCC(=O)CCC 1458a_100000690238_100000210303 [1,1,0,0,0,0|0,0,1]=3 2842 B9R0.5 C#CCCCC(=O)CCF 1458a_100000690238_100011217306 [1,1,0,0,0,0|1,0,1]=4 2843 B9R0.5 C#CCCCC(=O)CCO 1458a_100000690238_100000211926 [1,1,0,0,0,0|1,0,1]=4 2844 B9R0.5 C#CCCCC(=O)CCO 1458a_100011216618_100000731252 [1,1,0,0,0,0|1,0,1]=4 2845 B9R0.5 C#CCCCC(=O)COC 1458a_100000210968_100000731252 [1,1,0,0,0,0|1,0,1]=4 2846 B9R0.5 C#CCCCC(=O)CSC 1458a_100000184570_100000731252 [1,1,0,0,0,0|1,0,1]=4 2847 B9R0.5 C#CCCCC(=O)NCC 11a_100015525214_100000690238 [1,1,0,0,0,0|1,0,1]=4 2848 B9R0.5 C#CCCCC(=O)NCC 240690a_100015525214_100000690238 [1,1,0,0,0,0|1,0,1]=4 2849 B9R0.5 C#CCCCC(=O)NCC 527a_100015525214_100000690238 [1,1,0,0,0,0|1,0,1]=4 2850 B9R0.5 C#CCCNC(=O)CCC 11a_100000755551_100000211992 [1,1,0,0,0,0|0,0,2]=4 2851 B9R0.5 C#CCCNC(=O)CCC 1626a_100000755551_100000211992 [1,1,0,0,0,0|0,0,2]=4 2852 B9R0.5 C#CCCNC(=O)CCC 240690a_100000755551_100000211992 [1,1,0,0,0,0|0,0,2]=4 2853 B9R0.5 C#CCCNC(=O)CCC 527a_100000755551_100000211992 [1,1,0,0,0,0|0,0,2]=4 2854 B9R0.5 C#CCOCC(=O)CCC 1458a_100011251226_100000210303 [1,1,0,0,0,0|0,0,2]=4 2855 B9R0.5 C#CCSCC(=O)CCC 62a_100000038162_100000747444 [1,1,0,0,0,0|0,0,2]=4 2856 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [1,1,0,0,0,0|0,0,2]=4 2857 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [1,1,0,0,0,0|0,0,2]=4 2858 B9R0.5 C=CCC(=O)CCCCF 1458a_100000210193_100000729493 [1,1,0,0,0,0|0,0,2]=4 2859 B9R0.5 C=CCC(=O)CCCCO 1458a_100000210193_100000210776 [1,1,0,0,0,0|0,0,2]=4 2860 B9R0.5 C=CCC(=O)CCCCO 1458a_100000695505_100000210623 [1,1,0,0,0,0|0,0,2]=4 2861 B9R0.5 C=CCC(=O)CCCOC 1458a_100000210193_100000740836 [1,1,0,0,0,0|0,0,2]=4 2862 B9R0.5 C=CCC(=O)CCCOC 1458a_100000741012_100000210623 [1,1,0,0,0,0|0,0,2]=4 2863 B9R0.5 C=CCC(=O)CCCSC 1458a_100000173376_100000210623 [1,1,0,0,0,0|0,0,2]=4 2864 B9R0.5 C=CCC(=O)CCOCC 1458a_100000210193_100011215890 [1,1,0,0,0,0|0,0,2]=4 2865 B9R0.5 C=CCC(=O)CCOCC 1458a_100000749530_100000210623 [1,1,0,0,0,0|0,0,2]=4 2866 B9R0.5 C=CCC(=O)CCSCC 1458a_100000210193_100000757381 [1,1,0,0,0,0|0,0,2]=4 2867 B9R0.5 C=CCC(=O)CCSCC 1458a_100000230768_100000210623 [1,1,0,0,0,0|0,0,2]=4 2868 B9R0.5 C=CCC(=O)COCCC 1458a_100000745993_100000210623 [1,1,0,0,0,0|0,0,2]=4 2869 B9R0.5 C=CCC(=O)CSCCC 1458a_100000217233_100000210623 [1,1,0,0,0,0|0,0,2]=4 2870 B9R0.5 C=CCC(=O)NCCCC 11a_100000102301_100000210193 [1,1,0,0,0,0|0,0,2]=4 2871 B9R0.5 C=CCC(=O)NCCCC 1626a_100000102301_100000210193 [1,1,0,0,0,0|0,0,2]=4 2872 B9R0.5 C=CCC(=O)NCCCC 240690a_100000102301_100000210193 [1,1,0,0,0,0|0,0,2]=4 2873 B9R0.5 C=CCC(=O)NCCCC 527a_100000102301_100000210193 [1,1,0,0,0,0|0,0,2]=4 2874 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [1,1,0,0,0,0|0,0,1]=3 2875 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [1,1,0,0,0,0|0,0,1]=3 2876 B9R0.5 C=CCCCC(=O)CCF 1458a_100000766728_100011217306 [1,1,0,0,0,0|1,0,1]=4 2877 B9R0.5 C=CCCCC(=O)CCO 1458a_100000766728_100000211926 [1,1,0,0,0,0|1,0,1]=4 2878 B9R0.5 C=CCCCC(=O)CCO 1458a_100011216618_100000757094 [1,1,0,0,0,0|1,0,1]=4 2879 B9R0.5 C=CCCCC(=O)COC 1458a_100000210968_100000757094 [1,1,0,0,0,0|1,0,1]=4 2880 B9R0.5 C=CCCCC(=O)CSC 1458a_100000184570_100000757094 [1,1,0,0,0,0|1,0,1]=4 2881 B9R0.5 C=CCCCC(=O)NCC 11a_100015525214_100000766728 [1,1,0,0,0,0|1,0,1]=4 2882 B9R0.5 C=CCCCC(=O)NCC 240690a_100015525214_100000766728 [1,1,0,0,0,0|1,0,1]=4 2883 B9R0.5 C=CCCCC(=O)NCC 527a_100015525214_100000766728 [1,1,0,0,0,0|1,0,1]=4 2884 B9R0.5 C=CCCNC(=O)CCC 11a_100015191253_100000211992 [1,1,0,0,0,0|0,0,2]=4 2885 B9R0.5 C=CCCNC(=O)CCC 1626a_100015191253_100000211992 [1,1,0,0,0,0|0,0,2]=4 2886 B9R0.5 C=CCCNC(=O)CCC 240690a_100015191253_100000211992 [1,1,0,0,0,0|0,0,2]=4 2887 B9R0.5 C=CCCNC(=O)CCC 527a_100015191253_100000211992 [1,1,0,0,0,0|0,0,2]=4 2888 B9R0.5 C=CCNCC(=O)CCC 2230a_100020586998_100000747444 [1,1,0,0,0,0|0,0,2]=4 2889 B9R0.5 C=CCSCC(=O)CCC 1458a_100000230395_100000210303 [1,1,0,0,0,0|0,0,2]=4 2890 B9R0.5 C=CCSCC(=O)CCC 62a_100000210623_100000747444 [1,1,0,0,0,0|0,0,2]=4 2891 B9R0.5 C=CCSCC(=O)CCC 62a_100000747444_100000210623 [1,1,0,0,0,0|0,0,2]=4 2892 B9R0.5 C=COCCC(=O)CCC 1458a_100000211992_100000039644 [1,1,0,0,0,0|0,0,2]=4 2893 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [1,1,0,0,0,0|0,0,2]=4 2894 B9R0.5 CC#CC(=O)CCCCF 1458a_100000763181_100000729493 [1,1,0,0,0,0|0,0,2]=4 2895 B9R0.5 CC#CC(=O)CCCCO 1458a_100000763181_100000210776 [1,1,0,0,0,0|0,0,2]=4 2896 B9R0.5 CC#CC(=O)CCCOC 1458a_100000763181_100000740836 [1,1,0,0,0,0|0,0,2]=4 2897 B9R0.5 CC#CC(=O)CCOCC 1458a_100000763181_100011215890 [1,1,0,0,0,0|0,0,2]=4 2898 B9R0.5 CC#CC(=O)CCSCC 1458a_100000763181_100000757381 [1,1,0,0,0,0|0,0,2]=4 2899 B9R0.5 CC#CCNC(=O)CCC 11a_100000685387_100000211992 [1,1,0,0,0,0|0,0,2]=4 2900 B9R0.5 CC#CCNC(=O)CCC 1626a_100000685387_100000211992 [1,1,0,0,0,0|0,0,2]=4 2901 B9R0.5 CC#CCNC(=O)CCC 527a_100000685387_100000211992 [1,1,0,0,0,0|0,0,2]=4 2902 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [1,1,0,0,0,0|0,0,1]=3 2903 B9R0.5 CC/C=C/CC(=O)CCF 1458a_100016274230_100011217306 [1,1,0,0,0,0|1,0,1]=4 2904 B9R0.5 CC/C=C/CC(=O)CCO 1458a_100016274230_100000211926 [1,1,0,0,0,0|1,0,1]=4 2905 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [1,1,0,0,0,0|1,0,1]=4 2906 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [1,1,0,0,0,0|1,0,1]=4 2907 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [1,1,0,0,0,0|1,0,1]=4 2908 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [1,1,0,0,0,0|0,0,1]=3 2909 B9R0.5 CC/C=C\CC(=O)CCO 1458a_100011216618_100103147603 [1,1,0,0,0,0|1,0,1]=4 2910 B9R0.5 CC/C=C\CC(=O)COC 1458a_100000210968_100103147603 [1,1,0,0,0,0|1,0,1]=4 2911 B9R0.5 CC/C=C\CC(=O)CSC 1458a_100000184570_100103147603 [1,1,0,0,0,0|1,0,1]=4 2912 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [1,1,0,0,0,0|0,0,2]=4 2913 B9R0.5 CC=CC(=O)CCCCF 1458a_100000210699_100000729493 [1,1,0,0,0,0|0,0,2]=4 2914 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [1,1,0,0,0,0|0,0,2]=4 2915 B9R0.5 CC=CC(=O)CCCOC 1458a_100000210699_100000740836 [1,1,0,0,0,0|0,0,2]=4 2916 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [1,1,0,0,0,0|0,0,2]=4 2917 B9R0.5 CC=CC(=O)CCSCC 1458a_100000210699_100000757381 [1,1,0,0,0,0|0,0,2]=4 2918 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [1,1,0,0,0,0|0,0,2]=4 2919 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [1,1,0,0,0,0|0,0,2]=4 2920 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [1,1,0,0,0,0|0,0,2]=4 2921 B9R0.5 CCC#CCC(=O)CCC 1458a_100000211992_100009813939 [1,1,0,0,0,0|0,0,1]=3 2922 B9R0.5 CCC#CCC(=O)CCO 1458a_100011216618_100009813939 [1,1,0,0,0,0|1,0,1]=4 2923 B9R0.5 CCC#CCC(=O)COC 1458a_100000210968_100009813939 [1,1,0,0,0,0|1,0,1]=4 2924 B9R0.5 CCC#CCC(=O)CSC 1458a_100000184570_100009813939 [1,1,0,0,0,0|1,0,1]=4 2925 B9R0.5 CCC=NNC(=O)CCC 4a_100000189770_100000210100 [1,1,0,0,0,0|1,0,1]=4 2926 B9R0.5 CCCC#CC(=O)CCC 1458a_200011218047_100000210303 [1,1,0,0,0,0|0,0,1]=3 2927 B9R0.5 CCCC#CC(=O)CCF 1458a_200011218047_100011217306 [1,1,0,0,0,0|1,0,1]=4 2928 B9R0.5 CCCC#CC(=O)CCO 1458a_200011218047_100000211926 [1,1,0,0,0,0|1,0,1]=4 2929 B9R0.5 CCCC#CC(=O)NCC 240690a_100015525214_200011218047 [1,1,0,0,0,0|1,0,1]=4 2930 B9R0.5 CCCC(=O)C=CCOC 1458a_100016285016_100000210303 [1,1,0,0,0,0|0,0,2]=4 2931 B9R0.5 CCCC(=O)C=COCC 1458a_100016266692_100000210303 [1,1,0,0,0,0|0,0,2]=4 2932 B9R0.5 CCCC(=O)CC#CCO 1458a_100000211992_200000047223 [1,1,0,0,0,0|0,0,2]=4 2933 B9R0.5 CCCC(=O)CCCC#N 1458a_100000075515_100000210303 [1,1,0,0,0,0|0,0,1]=3 2934 B9R0.5 CCCC(=O)CCCC#N 1458a_100000211992_100000211468 [1,1,0,0,0,0|0,0,1]=3 2935 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [1,1,0,0,0,0|0,0,0]=2 2936 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [1,1,0,0,0,0|0,0,0]=2 2937 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [1,1,0,0,0,0|0,0,0]=2 2938 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [1,1,0,0,0,0|0,0,0]=2 2939 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [1,1,0,0,0,0|0,0,0]=2 2940 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [1,1,0,0,0,0|0,0,0]=2 2941 B9R0.5 CCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210303 [1,1,0,0,0,0|2,0,0]=4 2942 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [1,1,0,0,0,0|0,0,0]=2 2943 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [1,1,0,0,0,0|0,0,0]=2 2944 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [1,1,0,0,0,0|0,0,0]=2 2945 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [1,1,0,0,0,0|0,0,0]=2 2946 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [1,1,0,0,0,0|1,0,0]=3 2947 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [1,1,0,0,0,0|1,0,0]=3 2948 B9R0.5 CCCC(=O)CSCC#N 1458a_100000150266_100000210303 [1,1,0,0,0,0|1,0,1]=4 2949 B9R0.5 CCCC(=O)CSCC#N 62a_100000747444_100011215382 [1,1,0,0,0,0|1,0,1]=4 2950 B9R0.5 CCCC(=O)CSCC#N 62a_100011215382_100000747444 [1,1,0,0,0,0|1,0,1]=4 2951 B9R0.5 CCCC(=O)CSCC=O 62a_100000747444_200015260668 [1,1,0,0,0,0|1,0,1]=4 2952 B9R0.5 CCCC(=O)CSCC=O 62a_200015260668_100000747444 [1,1,0,0,0,0|1,0,1]=4 2953 B9R0.5 CCCC(=O)CSCCF 62a_100000747444_100011217306 [1,1,0,0,0,0|1,0,0]=3 2954 B9R0.5 CCCC(=O)CSCCF 62a_100011217306_100000747444 [1,1,0,0,0,0|1,0,0]=3 2955 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [1,1,0,0,0,0|1,0,0]=3 2956 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [1,1,0,0,0,0|1,0,0]=3 2957 B9R0.5 CCCC(=O)CSCOC 62a_100000747444_100000766300 [1,1,0,0,0,0|1,0,0]=3 2958 B9R0.5 CCCC(=O)CSCOC 62a_100000766300_100000747444 [1,1,0,0,0,0|1,0,0]=3 2959 B9R0.5 CCCC(=O)CSCSC 62a_100000747444_100011218213 [1,1,0,0,0,0|1,0,0]=3 2960 B9R0.5 CCCC(=O)CSCSC 62a_100011218213_100000747444 [1,1,0,0,0,0|1,0,0]=3 2961 B9R0.5 CCCC(=O)NCCC#N 11a_100000720768_100000211992 [1,1,0,0,0,0|1,0,1]=4 2962 B9R0.5 CCCC(=O)NCCC#N 1626a_100000720768_100000211992 [1,1,0,0,0,0|1,0,1]=4 2963 B9R0.5 CCCC(=O)NCCC#N 240690a_100000720768_100000211992 [1,1,0,0,0,0|1,0,1]=4 2964 B9R0.5 CCCC(=O)NCCC#N 527a_100000720768_100000211992 [1,1,0,0,0,0|1,0,1]=4 2965 B9R0.5 CCCC(=O)NCCCF 11a_100015189416_100000211992 [1,1,0,0,0,0|1,0,0]=3 2966 B9R0.5 CCCC(=O)NCCCF 1626a_100015189416_100000211992 [1,1,0,0,0,0|1,0,0]=3 2967 B9R0.5 CCCC(=O)NCCCF 240690a_100015189416_100000211992 [1,1,0,0,0,0|1,0,0]=3 2968 B9R0.5 CCCC(=O)NCCCF 527a_100015189416_100000211992 [1,1,0,0,0,0|1,0,0]=3 2969 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [1,1,0,0,0,0|1,0,0]=3 2970 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [1,1,0,0,0,0|1,0,0]=3 2971 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [1,1,0,0,0,0|1,0,0]=3 2972 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [1,1,0,0,0,0|1,0,0]=3 2973 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [1,1,0,0,0,0|1,0,0]=3 2974 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [1,1,0,0,0,0|1,0,0]=3 2975 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [1,1,0,0,0,0|1,0,0]=3 2976 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [1,1,0,0,0,0|1,0,0]=3 2977 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [1,1,0,0,0,0|1,0,0]=3 2978 B9R0.5 CCCC(=O)NNCCO 22a_100000210001_100000211992 [1,1,0,0,0,0|2,0,0]=4 2979 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [1,1,0,0,0,0|1,0,0]=3 2980 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [1,1,0,0,0,0|1,0,0]=3 2981 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [1,1,0,0,0,0|1,0,0]=3 2982 B9R0.5 CCCC(=O)OCSCF 62a_100015361967_100000034017 [1,1,0,0,0,0|2,0,0]=4 2983 B9R0.5 CCCC(C)C=NNCC 4a_100000756455_100000243154 [1,1,0,0,0,0|2,0,0]=4 2984 B9R0.5 CCCC(C)CCCOC 34a_100011713154_200000210301 [1,1,0,0,0,0|1,0,1]=4 2985 B9R0.5 CCCC(C)CCCOC 7a_100011713154_200000210301 [1,1,0,0,0,0|1,0,1]=4 2986 B9R0.5 CCCC(C)CCCO[13CH3] 34a_100011713154_200025704644 [1,1,0,0,0,0|1,0,1]=4 2987 B9R0.5 CCCC(C)CCCO[13CH3] 7a_100011713154_200025704644 [1,1,0,0,0,0|1,0,1]=4 2988 B9R0.5 CCCC(C)CCOCC 34a_100011217855_100000210202 [1,1,0,0,0,0|1,0,1]=4 2989 B9R0.5 CCCC(C)CCOCC 7a_100011217855_100000210202 [1,1,0,0,0,0|1,0,1]=4 2990 B9R0.5 CCCC(C)NCCCF 2230a_100000741246_100011934791 [1,1,0,0,0,0|2,0,0]=4 2991 B9R0.5 CCCC(C)NCCCF 2230a_100015189416_100000766640 [1,1,0,0,0,0|2,0,0]=4 2992 B9R0.5 CCCC(C)NCCCF 270004a_100015189416_100000211909 [1,1,0,0,0,0|2,0,0]=4 2993 B9R0.5 CCCC(C)NCCCF 34a_100015189416_100000766640 [1,1,0,0,0,0|2,0,0]=4 2994 B9R0.5 CCCC(C)NCCCO 2230a_100000741246_100000230001 [1,1,0,0,0,0|2,0,0]=4 2995 B9R0.5 CCCC(C)NCCCO 270004a_100000182051_100000211909 [1,1,0,0,0,0|2,0,0]=4 2996 B9R0.5 CCCC(C)NCCOC 2230a_100000209980_100000766640 [1,1,0,0,0,0|2,0,0]=4 2997 B9R0.5 CCCC(C)NCCOC 2230a_100000741246_100011201679 [1,1,0,0,0,0|2,0,0]=4 2998 B9R0.5 CCCC(C)NCCOC 270004a_100000209980_100000211909 [1,1,0,0,0,0|2,0,0]=4 2999 B9R0.5 CCCC(C)NCCSC 2230a_100000741246_100000751147 [1,1,0,0,0,0|2,0,0]=4 3000 B9R0.5 CCCC(C)NCCSC 2230a_100020590264_100000766640 [1,1,0,0,0,0|2,0,0]=4 3001 B9R0.5 CCCC(C)NCCSC 270004a_100020590264_100000211909 [1,1,0,0,0,0|2,0,0]=4 3002 B9R0.5 CCCC(C)OCCCBr 34a_100011217188_100000766640 [1,1,0,0,0,0|2,0,0]=4 3003 B9R0.5 CCCC(C)OCCCCl 34a_100000230001_100000766640 [1,1,0,0,0,0|2,0,0]=4 3004 B9R0.5 CCCC(C)OCCCF 34a_100000759539_100000766640 [1,1,0,0,0,0|2,0,0]=4 3005 B9R0.5 CCCC(C)OCCCF 34a_100000764384_100011934791 [1,1,0,0,0,0|2,0,0]=4 3006 B9R0.5 CCCC(C)OCCCF 7a_100000764384_100011934791 [1,1,0,0,0,0|2,0,0]=4 3007 B9R0.5 CCCC(C)OCCCN 34a_100000182051_100000766640 [1,1,0,0,0,0|2,0,0]=4 3008 B9R0.5 CCCC(C)OCCCO 34a_100000764384_100000230001 [1,1,0,0,0,0|2,0,0]=4 3009 B9R0.5 CCCC(C)OCCCO 7a_100000764384_100011215043 [1,1,0,0,0,0|2,0,0]=4 3010 B9R0.5 CCCC(C)OCCOC 34a_100000210237_100000766640 [1,1,0,0,0,0|2,0,0]=4 3011 B9R0.5 CCCC(C)OCCOC 34a_100000764384_100011201679 [1,1,0,0,0,0|2,0,0]=4 3012 B9R0.5 CCCC(C)OCCOC 7a_100000764384_100000233755 [1,1,0,0,0,0|2,0,0]=4 3013 B9R0.5 CCCC(C)OCCSC 34a_100000230434_100000766640 [1,1,0,0,0,0|2,0,0]=4 3014 B9R0.5 CCCC(C)OCCSC 34a_100000764384_100000212216 [1,1,0,0,0,0|2,0,0]=4 3015 B9R0.5 CCCC(C)OCCSC 7a_100000230434_100000766640 [1,1,0,0,0,0|2,0,0]=4 3016 B9R0.5 CCCC(C)OCCSC 7a_100000764384_100000212216 [1,1,0,0,0,0|2,0,0]=4 3017 B9R0.5 CCCC(C)SCCCF 62a_100000766640_100011934791 [1,1,0,0,0,0|2,0,0]=4 3018 B9R0.5 CCCC(C)SCCCF 62a_100011934791_100000766640 [1,1,0,0,0,0|2,0,0]=4 3019 B9R0.5 CCCC(C)SCCCO 62a_100000766640_100011215043 [1,1,0,0,0,0|2,0,0]=4 3020 B9R0.5 CCCC(C)SCCCO 62a_100011215043_100000766640 [1,1,0,0,0,0|2,0,0]=4 3021 B9R0.5 CCCC(C)SCCOC 62a_100000233755_100000766640 [1,1,0,0,0,0|2,0,0]=4 3022 B9R0.5 CCCC(C)SCCOC 62a_100000766640_100000233755 [1,1,0,0,0,0|2,0,0]=4 3023 B9R0.5 CCCC(C)SCCSC 62a_100000212216_100000766640 [1,1,0,0,0,0|2,0,0]=4 3024 B9R0.5 CCCC(C)SCCSC 62a_100000766640_100000751147 [1,1,0,0,0,0|2,0,0]=4 3025 B9R0.5 CCCC(C)SCOCC 62a_100000739092_100000766640 [1,1,0,0,0,0|2,0,0]=4 3026 B9R0.5 CCCC(C)SCOCC 62a_100000766640_100000739092 [1,1,0,0,0,0|2,0,0]=4 3027 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [1,1,0,0,0,0|0,0,1]=3 3028 B9R0.5 CCCC=CC(=O)CCF 1458a_100000212230_100011217306 [1,1,0,0,0,0|1,0,1]=4 3029 B9R0.5 CCCC=CC(=O)CCO 1458a_100000212230_100000211926 [1,1,0,0,0,0|1,0,1]=4 3030 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [1,1,0,0,0,0|1,0,1]=4 3031 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [1,1,0,0,0,0|1,0,1]=4 3032 B9R0.5 CCCCCC(=O)CC#N 1458a_100000212188_100011214920 [1,1,0,0,0,0|1,0,1]=4 3033 B9R0.5 CCCCCC(=O)CC#N 1458a_100051588842_100000210326 [1,1,0,0,0,0|1,0,1]=4 3034 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [1,1,0,0,0,0|0,0,0]=2 3035 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [1,1,0,0,0,0|0,0,0]=2 3036 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [1,1,0,0,0,0|1,0,0]=3 3037 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [1,1,0,0,0,0|1,0,0]=3 3038 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [1,1,0,0,0,0|1,0,0]=3 3039 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [1,1,0,0,0,0|1,0,0]=3 3040 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [1,1,0,0,0,0|1,0,0]=3 3041 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [1,1,0,0,0,0|1,0,0]=3 3042 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [1,1,0,0,0,0|1,0,0]=3 3043 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [1,1,0,0,0,0|1,0,0]=3 3044 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [1,1,0,0,0,0|1,0,0]=3 3045 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [1,1,0,0,0,0|1,0,0]=3 3046 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [1,1,0,0,0,0|1,0,0]=3 3047 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [1,1,0,0,0,0|1,0,0]=3 3048 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [1,1,0,0,0,0|1,0,0]=3 3049 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [1,1,0,0,0,0|1,0,0]=3 3050 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [1,1,0,0,0,0|1,0,0]=3 3051 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [1,1,0,0,0,0|1,0,0]=3 3052 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [1,1,0,0,0,0|2,0,0]=4 3053 B9R0.5 CCCCCN(C)CCC 2230a_100000223495_100000210303 [1,1,0,0,0,0|2,0,0]=4 3054 B9R0.5 CCCCCN(C)CCC 2230a_100000747261_100000210326 [1,1,0,0,0,0|2,0,0]=4 3055 B9R0.5 CCCCCN(C)CCC 2230a_200000226819_200000210301 [1,1,0,0,0,0|2,0,0]=4 3056 B9R0.5 CCCCCN(C)CCC 269982a_100000223495_100000210303 [1,1,0,0,0,0|2,0,0]=4 3057 B9R0.5 CCCCCN(C)CCC 269982a_100000747261_100000210215 [1,1,0,0,0,0|2,0,0]=4 3058 B9R0.5 CCCCCN(C)CCC 269982a_200000226819_200000210301 [1,1,0,0,0,0|2,0,0]=4 3059 B9R0.5 CCCCCN([13CH3])CCC 2230a_200000226819_200025704644 [1,1,0,0,0,0|2,0,0]=4 3060 B9R0.5 CCCCCN([13CH3])CCC 269982a_200000226819_200025704644 [1,1,0,0,0,0|2,0,0]=4 3061 B9R0.5 CCCCNC(=O)CC#N 1626a_100000102301_100051588842 [1,1,0,0,0,0|1,0,1]=4 3062 B9R0.5 CCCCNC(=O)CC#N 240690a_100000102301_100051588842 [1,1,0,0,0,0|1,0,1]=4 3063 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [1,1,0,0,0,0|0,0,0]=2 3064 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [1,1,0,0,0,0|0,0,0]=2 3065 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [1,1,0,0,0,0|0,0,0]=2 3066 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [1,1,0,0,0,0|0,0,0]=2 3067 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [1,1,0,0,0,0|1,0,0]=3 3068 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [1,1,0,0,0,0|1,0,0]=3 3069 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [1,1,0,0,0,0|1,0,0]=3 3070 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [1,1,0,0,0,0|1,0,0]=3 3071 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [1,1,0,0,0,0|1,0,0]=3 3072 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [1,1,0,0,0,0|1,0,0]=3 3073 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [1,1,0,0,0,0|1,0,0]=3 3074 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [1,1,0,0,0,0|1,0,0]=3 3075 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [1,1,0,0,0,0|1,0,0]=3 3076 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [1,1,0,0,0,0|1,0,0]=3 3077 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [1,1,0,0,0,0|1,0,0]=3 3078 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [1,1,0,0,0,0|1,0,0]=3 3079 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [1,1,0,0,0,0|1,0,0]=3 3080 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [1,1,0,0,0,0|1,0,0]=3 3081 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [1,1,0,0,0,0|1,0,0]=3 3082 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [1,1,0,0,0,0|1,0,0]=3 3083 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [1,1,0,0,0,0|1,0,0]=3 3084 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [1,1,0,0,0,0|1,0,0]=3 3085 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [1,1,0,0,0,0|1,0,0]=3 3086 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [1,1,0,0,0,0|1,0,0]=3 3087 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [1,1,0,0,0,0|1,0,0]=3 3088 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [1,1,0,0,0,0|1,0,0]=3 3089 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [1,1,0,0,0,0|1,0,0]=3 3090 B9R0.5 CCCCNC(=O)NNC 273464a_100000102301_100016993582 [1,1,0,0,0,0|2,0,0]=4 3091 B9R0.5 CCCCNC(=O)NNC 512a_100000102301_100016993582 [1,1,0,0,0,0|2,0,0]=4 3092 B9R0.5 CCCCNC(=O)NNC 512a_100016993582_100000102301 [1,1,0,0,0,0|2,0,0]=4 3093 B9R0.5 CCCCNC(C)CCC 2230a_100000102301_100000766640 [1,1,0,0,0,0|1,0,1]=4 3094 B9R0.5 CCCCNC(C)CCC 2230a_100000741246_100000210211 [1,1,0,0,0,0|1,0,1]=4 3095 B9R0.5 CCCCNC(C)CCC 270004a_100000102301_100000211909 [1,1,0,0,0,0|1,0,1]=4 3096 B9R0.5 CCCCNC(C)CCC 7a_106832991798_100000766640 [1,1,0,0,0,0|1,0,1]=4 3097 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [1,1,0,0,0,0|1,0,0]=3 3098 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [1,1,0,0,0,0|1,0,0]=3 3099 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [1,1,0,0,0,0|1,0,0]=3 3100 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [1,1,0,0,0,0|1,0,0]=3 3101 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [1,1,0,0,0,0|1,0,0]=3 3102 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [1,1,0,0,0,0|1,0,0]=3 3103 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [1,1,0,0,0,0|1,0,0]=3 3104 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [1,1,0,0,0,0|1,0,0]=3 3105 B9R0.5 CCCCOC(C)CCC 34a_100000210227_100000766640 [1,1,0,0,0,0|1,0,1]=4 3106 B9R0.5 CCCCOC(C)CCC 34a_100000764384_100000210210 [1,1,0,0,0,0|1,0,1]=4 3107 B9R0.5 CCCCOC(C)CCC 7a_100000210227_100000766640 [1,1,0,0,0,0|1,0,1]=4 3108 B9R0.5 CCCCOC(C)CCC 7a_100000764384_100000210211 [1,1,0,0,0,0|1,0,1]=4 3109 B9R0.5 CCCCSC(C)CCC 62a_100000210211_100000766640 [1,1,0,0,0,0|1,0,1]=4 3110 B9R0.5 CCCCSC(C)CCC 62a_100000766640_100000210210 [1,1,0,0,0,0|1,0,1]=4 3111 B9R0.5 CCCN(C)CCCCF 2230a_100000747261_100000729493 [1,1,0,0,0,0|2,0,0]=4 3112 B9R0.5 CCCN(C)CCCCF 269982a_100000747261_100000729493 [1,1,0,0,0,0|2,0,0]=4 3113 B9R0.5 CCCN(C)CCCCO 2230a_100000717598_100000210303 [1,1,0,0,0,0|2,0,0]=4 3114 B9R0.5 CCCN(C)CCCCO 2230a_100000747261_100000210776 [1,1,0,0,0,0|2,0,0]=4 3115 B9R0.5 CCCN(C)CCCCO 269982a_100000717598_100000210303 [1,1,0,0,0,0|2,0,0]=4 3116 B9R0.5 CCCN(C)CCCCO 269982a_100000747261_100000210776 [1,1,0,0,0,0|2,0,0]=4 3117 B9R0.5 CCCN(C)CCCOC 2230a_100000224831_100000210303 [1,1,0,0,0,0|2,0,0]=4 3118 B9R0.5 CCCN(C)CCCOC 2230a_100000747261_100000740836 [1,1,0,0,0,0|2,0,0]=4 3119 B9R0.5 CCCN(C)CCCOC 269982a_100000224831_100000210303 [1,1,0,0,0,0|2,0,0]=4 3120 B9R0.5 CCCN(C)CCCOC 269982a_100000747261_100000740836 [1,1,0,0,0,0|2,0,0]=4 3121 B9R0.5 CCCN(C)CCOCC 2230a_100000747261_100011215890 [1,1,0,0,0,0|2,0,0]=4 3122 B9R0.5 CCCN(C)CCOCC 269982a_100000747261_100011215890 [1,1,0,0,0,0|2,0,0]=4 3123 B9R0.5 CCCN(C)CCSCC 2230a_100000747261_100000757381 [1,1,0,0,0,0|2,0,0]=4 3124 B9R0.5 CCCN(C)CCSCC 269982a_100000747261_100000757381 [1,1,0,0,0,0|2,0,0]=4 3125 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [1,1,0,0,0,0|1,0,0]=3 3126 B9R0.5 CCCNCC(C)CCC 270004a_100020643023_100000243154 [1,1,0,0,0,0|1,0,1]=4 3127 B9R0.5 CCCNCC(O)COC 2230a_100000756049_100000210303 [1,1,0,0,0,0|1,0,1]=4 3128 B9R0.5 CCCNCC(O)COC 34a_100000756049_100000210303 [1,1,0,0,0,0|1,0,1]=4 3129 B9R0.5 CCCNN=C(C)CCC 4a_100000740057_100000211909 [1,1,0,0,0,0|2,0,0]=4 3130 B9R0.5 CCCNNC(=O)CCC 22a_100000740057_100000211992 [1,1,0,0,0,0|1,0,0]=3 3131 B9R0.5 CCCNNC(=O)CCO 22a_100000740057_100011216618 [1,1,0,0,0,0|2,0,0]=4 3132 B9R0.5 CCCNNC(=O)COC 22a_100000740057_100000210968 [1,1,0,0,0,0|2,0,0]=4 3133 B9R0.5 CCCNNC(=O)CSC 22a_100000740057_100000184570 [1,1,0,0,0,0|2,0,0]=4 3134 B9R0.5 CCCNNC(=O)NCC 273464a_100015525214_100000740057 [1,1,0,0,0,0|2,0,0]=4 3135 B9R0.5 CCCNNC(=O)NCC 512a_100000740057_100015525214 [1,1,0,0,0,0|2,0,0]=4 3136 B9R0.5 CCCNNC(=O)NCC 512a_100015525214_100000740057 [1,1,0,0,0,0|2,0,0]=4 3137 B9R0.5 CCCOCC(=O)CC#N 1458a_100000745993_100011214920 [1,1,0,0,0,0|1,0,1]=4 3138 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [1,1,0,0,0,0|0,0,0]=2 3139 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [1,1,0,0,0,0|1,0,0]=3 3140 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [1,1,0,0,0,0|1,0,0]=3 3141 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [1,1,0,0,0,0|1,0,0]=3 3142 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [1,1,0,0,0,0|1,0,0]=3 3143 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [1,1,0,0,0,0|1,0,0]=3 3144 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [1,1,0,0,0,0|1,0,0]=3 3145 B9R0.5 CCCOCC(=O)NCO 34a_100000210258_100000185155 [1,1,0,0,0,0|2,0,0]=4 3146 B9R0.5 CCCOCC(=O)NNC 22a_100016993582_100000745993 [1,1,0,0,0,0|2,0,0]=4 3147 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [1,1,0,0,0,0|1,0,0]=3 3148 B9R0.5 CCCOCC(C)CCC 34a_100000210258_100011216630 [1,1,0,0,0,0|1,0,1]=4 3149 B9R0.5 CCCOCC(C)CCC 34a_100000688023_100000210303 [1,1,0,0,0,0|1,0,1]=4 3150 B9R0.5 CCCOCC(C)CCC 7a_100000688023_100000210303 [1,1,0,0,0,0|1,0,1]=4 3151 B9R0.5 CCCOCC(O)COC 34a_100000210258_100011215053 [1,1,0,0,0,0|1,0,1]=4 3152 B9R0.5 CCCOC[C@@H](N)CCC 34a_100000732646_100000210303 [1,1,0,0,0,0|1,0,1]=4 3153 B9R0.5 CCCSCC(=O)CC#N 1458a_100000217233_100011214920 [1,1,0,0,0,0|1,0,1]=4 3154 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [1,1,0,0,0,0|0,0,0]=2 3155 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [1,1,0,0,0,0|0,0,0]=2 3156 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [1,1,0,0,0,0|0,0,0]=2 3157 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [1,1,0,0,0,0|1,0,0]=3 3158 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [1,1,0,0,0,0|1,0,0]=3 3159 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [1,1,0,0,0,0|1,0,0]=3 3160 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [1,1,0,0,0,0|1,0,0]=3 3161 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [1,1,0,0,0,0|1,0,0]=3 3162 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [1,1,0,0,0,0|1,0,0]=3 3163 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [1,1,0,0,0,0|1,0,0]=3 3164 B9R0.5 CCCSCC(=O)NCO 62a_100000185155_100000210303 [1,1,0,0,0,0|2,0,0]=4 3165 B9R0.5 CCCSCC(=O)NCO 62a_100000210303_100000185155 [1,1,0,0,0,0|2,0,0]=4 3166 B9R0.5 CCCSCC(=O)NNC 22a_100016993582_100000217233 [1,1,0,0,0,0|2,0,0]=4 3167 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [1,1,0,0,0,0|1,0,0]=3 3168 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [1,1,0,0,0,0|1,0,0]=3 3169 B9R0.5 CCCSCC(C)CCC 62a_100000210303_100011216630 [1,1,0,0,0,0|1,0,1]=4 3170 B9R0.5 CCCSCC(C)CCC 62a_100011216630_100000210303 [1,1,0,0,0,0|1,0,1]=4 3171 B9R0.5 CCCSCC(O)COC 62a_100000210303_100011215053 [1,1,0,0,0,0|1,0,1]=4 3172 B9R0.5 CCCSCC(O)COC 62a_100011215053_100000210303 [1,1,0,0,0,0|1,0,1]=4 3173 B9R0.5 CCC[C@H](N)CCOCC 34a_100015193777_100000210202 [1,1,0,0,0,0|1,0,1]=4 3174 B9R0.5 CCNC(=O)CCCC#N 11a_100015525214_100000075515 [1,1,0,0,0,0|1,0,1]=4 3175 B9R0.5 CCNC(=O)CCCC#N 240690a_100015525214_100000075515 [1,1,0,0,0,0|1,0,1]=4 3176 B9R0.5 CCNC(=O)CCCC#N 527a_100015525214_100000075515 [1,1,0,0,0,0|1,0,1]=4 3177 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [1,1,0,0,0,0|1,0,0]=3 3178 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [1,1,0,0,0,0|1,0,0]=3 3179 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [1,1,0,0,0,0|1,0,0]=3 3180 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [1,1,0,0,0,0|1,0,0]=3 3181 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [1,1,0,0,0,0|1,0,0]=3 3182 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [1,1,0,0,0,0|1,0,0]=3 3183 B9R0.5 CCNC(=O)CCNCF 34a_100025743525_100015361967 [1,1,0,0,0,0|2,0,0]=4 3184 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [1,1,0,0,0,0|1,0,0]=3 3185 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [1,1,0,0,0,0|1,0,0]=3 3186 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [1,1,0,0,0,0|1,0,0]=3 3187 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [1,1,0,0,0,0|1,0,0]=3 3188 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [1,1,0,0,0,0|1,0,0]=3 3189 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [1,1,0,0,0,0|1,0,0]=3 3190 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [1,1,0,0,0,0|1,0,0]=3 3191 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [1,1,0,0,0,0|1,0,0]=3 3192 B9R0.5 CCNC(=O)CCSCF 62a_100000737597_100015361967 [1,1,0,0,0,0|2,0,0]=4 3193 B9R0.5 CCNC(=O)CCSCF 62a_100015361967_100000737597 [1,1,0,0,0,0|2,0,0]=4 3194 B9R0.5 CCNC(=O)CNCCF 2230a_100016988866_100011217306 [1,1,0,0,0,0|2,0,0]=4 3195 B9R0.5 CCNC(=O)CNCCF 34a_100000724931_100000183381 [1,1,0,0,0,0|2,0,0]=4 3196 B9R0.5 CCNC(=O)CNCCO 2230a_100016988866_100000211926 [1,1,0,0,0,0|2,0,0]=4 3197 B9R0.5 CCNC(=O)CNCCO 2230a_100016997473_100000183381 [1,1,0,0,0,0|2,0,0]=4 3198 B9R0.5 CCNC(=O)CNCCO 34a_100016990907_100000183381 [1,1,0,0,0,0|2,0,0]=4 3199 B9R0.5 CCNC(=O)CNCOC 2230a_100016988866_100000766300 [1,1,0,0,0,0|2,0,0]=4 3200 B9R0.5 CCNC(=O)CNCSC 2230a_100016988866_100011218213 [1,1,0,0,0,0|2,0,0]=4 3201 B9R0.5 CCNC(=O)COCCBr 34a_100000211926_100000183381 [1,1,0,0,0,0|2,0,0]=4 3202 B9R0.5 CCNC(=O)COCCN 34a_100000210304_100000183381 [1,1,0,0,0,0|2,0,0]=4 3203 B9R0.5 CCNC(=O)COCCO 240690a_100015525214_100000708028 [1,1,0,0,0,0|2,0,0]=4 3204 B9R0.5 CCNC(=O)CSCCF 62a_100000183381_100011217306 [1,1,0,0,0,0|2,0,0]=4 3205 B9R0.5 CCNC(=O)CSCCF 62a_100011217306_100000183381 [1,1,0,0,0,0|2,0,0]=4 3206 B9R0.5 CCNC(=O)CSCCO 62a_100000183381_100000211926 [1,1,0,0,0,0|2,0,0]=4 3207 B9R0.5 CCNC(=O)CSCCO 62a_100000211926_100000183381 [1,1,0,0,0,0|2,0,0]=4 3208 B9R0.5 CCNC(=O)CSCOC 62a_100000183381_100000766300 [1,1,0,0,0,0|2,0,0]=4 3209 B9R0.5 CCNC(=O)CSCOC 62a_100000766300_100000183381 [1,1,0,0,0,0|2,0,0]=4 3210 B9R0.5 CCNC(=O)CSCSC 62a_100000183381_100011218213 [1,1,0,0,0,0|2,0,0]=4 3211 B9R0.5 CCNC(=O)CSCSC 62a_100011218213_100000183381 [1,1,0,0,0,0|2,0,0]=4 3212 B9R0.5 CCNC(=O)NCCCF 2708a_100015189416_100015525214 [1,1,0,0,0,0|2,0,0]=4 3213 B9R0.5 CCNC(=O)NCCCF 2708a_100015525214_100015189416 [1,1,0,0,0,0|2,0,0]=4 3214 B9R0.5 CCNC(=O)NCCCF 273464a_100015189416_100015525214 [1,1,0,0,0,0|2,0,0]=4 3215 B9R0.5 CCNC(=O)NCCCF 273464a_100015525214_100015189416 [1,1,0,0,0,0|2,0,0]=4 3216 B9R0.5 CCNC(=O)NCCCF 512a_100015189416_100015525214 [1,1,0,0,0,0|2,0,0]=4 3217 B9R0.5 CCNC(=O)NCCCF 512a_100015525214_100015189416 [1,1,0,0,0,0|2,0,0]=4 3218 B9R0.5 CCNC(=O)NCCCO 2708a_100015525214_100000182051 [1,1,0,0,0,0|2,0,0]=4 3219 B9R0.5 CCNC(=O)NCCCO 273464a_100000182051_100015525214 [1,1,0,0,0,0|2,0,0]=4 3220 B9R0.5 CCNC(=O)NCCCO 273464a_100015525214_100000182051 [1,1,0,0,0,0|2,0,0]=4 3221 B9R0.5 CCNC(=O)NCCCO 512a_100015525214_100000182051 [1,1,0,0,0,0|2,0,0]=4 3222 B9R0.5 CCNC(=O)NCCOC 2708a_100015525214_100000209980 [1,1,0,0,0,0|2,0,0]=4 3223 B9R0.5 CCNC(=O)NCCOC 273464a_100000209980_100015525214 [1,1,0,0,0,0|2,0,0]=4 3224 B9R0.5 CCNC(=O)NCCOC 273464a_100015525214_100000209980 [1,1,0,0,0,0|2,0,0]=4 3225 B9R0.5 CCNC(=O)NCCSC 2708a_100015525214_100020590264 [1,1,0,0,0,0|2,0,0]=4 3226 B9R0.5 CCNC(=O)NCCSC 2708a_100020590264_100015525214 [1,1,0,0,0,0|2,0,0]=4 3227 B9R0.5 CCNC(=O)NCCSC 273464a_100015525214_100020590264 [1,1,0,0,0,0|2,0,0]=4 3228 B9R0.5 CCNC(=O)NCCSC 273464a_100020590264_100015525214 [1,1,0,0,0,0|2,0,0]=4 3229 B9R0.5 CCNC(=O)NCCSC 512a_100015525214_100020590264 [1,1,0,0,0,0|2,0,0]=4 3230 B9R0.5 CCNC(=O)NCCSC 512a_100020590264_100015525214 [1,1,0,0,0,0|2,0,0]=4 3231 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [1,1,0,0,0,0|1,0,0]=3 3232 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [1,1,0,0,0,0|1,0,0]=3 3233 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [1,1,0,0,0,0|1,0,0]=3 3234 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [1,1,0,0,0,0|1,0,0]=3 3235 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [1,1,0,0,0,0|1,0,0]=3 3236 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [1,1,0,0,0,0|1,0,0]=3 3237 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [1,1,0,0,0,0|1,0,0]=3 3238 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [1,1,0,0,0,0|1,0,0]=3 3239 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [1,1,0,0,0,0|1,0,0]=3 3240 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [1,1,0,0,0,0|1,0,0]=3 3241 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [1,1,0,0,0,0|1,0,0]=3 3242 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [1,1,0,0,0,0|1,0,0]=3 3243 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [1,1,0,0,0,0|1,0,0]=3 3244 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [1,1,0,0,0,0|1,0,0]=3 3245 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [1,1,0,0,0,0|1,0,0]=3 3246 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [1,1,0,0,0,0|2,0,0]=4 3247 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [1,1,0,0,0,0|2,0,0]=4 3248 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [1,1,0,0,0,0|2,0,0]=4 3249 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [1,1,0,0,0,0|2,0,0]=4 3250 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [1,1,0,0,0,0|2,0,0]=4 3251 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [1,1,0,0,0,0|2,0,0]=4 3252 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [1,1,0,0,0,0|2,0,0]=4 3253 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [1,1,0,0,0,0|2,0,0]=4 3254 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [1,1,0,0,0,0|2,0,0]=4 3255 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [1,1,0,0,0,0|2,0,0]=4 3256 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [1,1,0,0,0,0|2,0,0]=4 3257 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [1,1,0,0,0,0|2,0,0]=4 3258 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [1,1,0,0,0,0|2,0,0]=4 3259 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [1,1,0,0,0,0|2,0,0]=4 3260 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [1,1,0,0,0,0|2,0,0]=4 3261 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [1,1,0,0,0,0|2,0,0]=4 3262 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [1,1,0,0,0,0|2,0,0]=4 3263 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [1,1,0,0,0,0|2,0,0]=4 3264 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [1,1,0,0,0,0|2,0,0]=4 3265 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [1,1,0,0,0,0|2,0,0]=4 3266 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [1,1,0,0,0,0|2,0,0]=4 3267 B9R0.5 CCOCCC(=O)CC#N 1458a_100000749530_100011214920 [1,1,0,0,0,0|1,0,1]=4 3268 B9R0.5 CCOCCC(=O)CC#N 1458a_100051588842_100011215890 [1,1,0,0,0,0|1,0,1]=4 3269 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [1,1,0,0,0,0|1,0,0]=3 3270 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [1,1,0,0,0,0|1,0,0]=3 3271 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [1,1,0,0,0,0|1,0,0]=3 3272 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [1,1,0,0,0,0|1,0,0]=3 3273 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [1,1,0,0,0,0|1,0,0]=3 3274 B9R0.5 CCOCCC(=O)NNC 22a_100016993582_100000749530 [1,1,0,0,0,0|2,0,0]=4 3275 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [1,1,0,0,0,0|1,0,0]=3 3276 B9R0.5 CCSCCC(=O)CC#N 1458a_100000230768_100011214920 [1,1,0,0,0,0|1,0,1]=4 3277 B9R0.5 CCSCCC(=O)CC#N 1458a_100051588842_100000757381 [1,1,0,0,0,0|1,0,1]=4 3278 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [1,1,0,0,0,0|1,0,0]=3 3279 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [1,1,0,0,0,0|1,0,0]=3 3280 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [1,1,0,0,0,0|1,0,0]=3 3281 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [1,1,0,0,0,0|1,0,0]=3 3282 B9R0.5 CCSCCC(=O)CSC 1458a_100000184570_100000757381 [1,1,0,0,0,0|1,0,0]=3 3283 B9R0.5 CCSCCC(=O)NNC 22a_100016993582_100000230768 [1,1,0,0,0,0|2,0,0]=4 3284 B9R0.5 CNCC(=O)NCCOC 2230a_100000754632_200000210301 [1,1,0,0,0,0|2,0,0]=4 3285 B9R0.5 CNCC(=O)NCCOC 2230a_106832991635_100000183275 [1,1,0,0,0,0|2,0,0]=4 3286 B9R0.5 CNCC(=O)NCCOC 34a_100102657272_100000183275 [1,1,0,0,0,0|2,0,0]=4 3287 B9R0.5 CNCC(=O)NCCOC 7a_106832991635_100000183275 [1,1,0,0,0,0|2,0,0]=4 3288 B9R0.5 CNCC(=O)OCCOC 2230a_106832991635_200000040189 [1,1,0,0,0,0|2,0,0]=4 3289 B9R0.5 CNCC(=O)OCCOC 34a_100102657272_200000040189 [1,1,0,0,0,0|2,0,0]=4 3290 B9R0.5 CNCC(=O)OCCOC 7a_106832991635_200000040189 [1,1,0,0,0,0|2,0,0]=4 3291 B9R0.5 CNNC(=O)CCCOC 22a_100016993582_100000741012 [1,1,0,0,0,0|2,0,0]=4 3292 B9R0.5 CNNC(=O)CCCSC 22a_100016993582_100000173376 [1,1,0,0,0,0|2,0,0]=4 3293 B9R0.5 COCC(=O)CCCC#N 1458a_100000210968_100000211468 [1,1,0,0,0,0|1,0,1]=4 3294 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [1,1,0,0,0,0|1,0,0]=3 3295 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [1,1,0,0,0,0|1,0,0]=3 3296 B9R0.5 COCC(=O)NCCCF 11a_100015189416_100000210968 [1,1,0,0,0,0|2,0,0]=4 3297 B9R0.5 COCC(=O)NCCCF 1626a_100015189416_100000210968 [1,1,0,0,0,0|2,0,0]=4 3298 B9R0.5 COCC(=O)NCCCF 240690a_100015189416_100000210968 [1,1,0,0,0,0|2,0,0]=4 3299 B9R0.5 COCC(=O)NCCCF 527a_100015189416_100000210968 [1,1,0,0,0,0|2,0,0]=4 3300 B9R0.5 COCC(=O)NCCCO 240690a_100000182051_100000210968 [1,1,0,0,0,0|2,0,0]=4 3301 B9R0.5 COCC(=O)NCCCO 527a_100000182051_100000210968 [1,1,0,0,0,0|2,0,0]=4 3302 B9R0.5 COCC(=O)NCCSC 11a_100020590264_100000210968 [1,1,0,0,0,0|2,0,0]=4 3303 B9R0.5 COCC(=O)NCCSC 1626a_100020590264_100000210968 [1,1,0,0,0,0|2,0,0]=4 3304 B9R0.5 COCC(=O)NCCSC 240690a_100020590264_100000210968 [1,1,0,0,0,0|2,0,0]=4 3305 B9R0.5 COCC(=O)NCCSC 527a_100020590264_100000210968 [1,1,0,0,0,0|2,0,0]=4 3306 B9R0.5 COCCCC(=O)CC#N 1458a_100000741012_100011214920 [1,1,0,0,0,0|1,0,1]=4 3307 B9R0.5 COCCCC(=O)CC#N 1458a_100051588842_100000740836 [1,1,0,0,0,0|1,0,1]=4 3308 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [1,1,0,0,0,0|1,0,0]=3 3309 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [1,1,0,0,0,0|1,0,0]=3 3310 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [1,1,0,0,0,0|1,0,0]=3 3311 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [1,1,0,0,0,0|1,0,0]=3 3312 B9R0.5 COCCCC(=O)CSC 1458a_100000184570_100000740836 [1,1,0,0,0,0|1,0,0]=3 3313 B9R0.5 COCCNC(=O)CCO 240690a_100000209980_100011216618 [1,1,0,0,0,0|2,0,0]=4 3314 B9R0.5 COCCNC(=O)CN[13CH3] 2230a_100000754632_200025704644 [1,1,0,0,0,0|2,0,0]=4 3315 B9R0.5 COCCNC(=O)COC 1626a_100000209980_100000210968 [1,1,0,0,0,0|2,0,0]=4 3316 B9R0.5 COCCNC(=O)COC 240690a_100000209980_100000210968 [1,1,0,0,0,0|2,0,0]=4 3317 B9R0.5 COCCNC(=O)COC 34a_100138415774_100000183275 [1,1,0,0,0,0|2,0,0]=4 3318 B9R0.5 COCCNC(=O)COC 527a_100000209980_100000210968 [1,1,0,0,0,0|2,0,0]=4 3319 B9R0.5 COCCNC(=O)CSC 1626a_100000209980_100000184570 [1,1,0,0,0,0|2,0,0]=4 3320 B9R0.5 COCCNC(=O)CSC 240690a_100000209980_100000184570 [1,1,0,0,0,0|2,0,0]=4 3321 B9R0.5 COCCNC(=O)CSC 527a_100000209980_100000184570 [1,1,0,0,0,0|2,0,0]=4 3322 B9R0.5 COCCNC(=O)CSC 62a_100000183275_200000210301 [1,1,0,0,0,0|2,0,0]=4 3323 B9R0.5 COCCNC(=O)CSC 62a_200000210301_100000183275 [1,1,0,0,0,0|2,0,0]=4 3324 B9R0.5 COCCNC(=O)CS[13CH3] 62a_100000183275_200025704644 [1,1,0,0,0,0|2,0,0]=4 3325 B9R0.5 COCCNC(=O)CS[13CH3] 62a_200025704644_100000183275 [1,1,0,0,0,0|2,0,0]=4 3326 B9R0.5 COCCOC(=O)COC 34a_100138415774_200000040189 [1,1,0,0,0,0|2,0,0]=4 3327 B9R0.5 COCCOC(=O)CSC 62a_200000040189_200000210301 [1,1,0,0,0,0|2,0,0]=4 3328 B9R0.5 COCCOC(=O)CSC 62a_200000210301_200000040189 [1,1,0,0,0,0|2,0,0]=4 3329 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200000040189_200025704644 [1,1,0,0,0,0|2,0,0]=4 3330 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200025704644_200000040189 [1,1,0,0,0,0|2,0,0]=4 3331 B9R0.5 CSCC(=O)CCCC#N 1458a_100000184570_100000211468 [1,1,0,0,0,0|1,0,1]=4 3332 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [1,1,0,0,0,0|1,0,0]=3 3333 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [1,1,0,0,0,0|1,0,0]=3 3334 B9R0.5 CSCC(=O)NCCCF 11a_100015189416_100000184570 [1,1,0,0,0,0|2,0,0]=4 3335 B9R0.5 CSCC(=O)NCCCF 1626a_100015189416_100000184570 [1,1,0,0,0,0|2,0,0]=4 3336 B9R0.5 CSCC(=O)NCCCF 240690a_100015189416_100000184570 [1,1,0,0,0,0|2,0,0]=4 3337 B9R0.5 CSCC(=O)NCCCF 527a_100015189416_100000184570 [1,1,0,0,0,0|2,0,0]=4 3338 B9R0.5 CSCC(=O)NCCCO 240690a_100000182051_100000184570 [1,1,0,0,0,0|2,0,0]=4 3339 B9R0.5 CSCC(=O)NCCCO 527a_100000182051_100000184570 [1,1,0,0,0,0|2,0,0]=4 3340 B9R0.5 CSCCCC(=O)CC#N 1458a_100000173376_100011214920 [1,1,0,0,0,0|1,0,1]=4 3341 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [1,1,0,0,0,0|1,0,0]=3 3342 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [1,1,0,0,0,0|1,0,0]=3 3343 B9R0.5 CSCCNC(=O)CCO 240690a_100020590264_100011216618 [1,1,0,0,0,0|2,0,0]=4 3344 B9R0.5 CSCCNC(=O)CSC 11a_100020590264_100000184570 [1,1,0,0,0,0|2,0,0]=4 3345 B9R0.5 CSCCNC(=O)CSC 1626a_100020590264_100000184570 [1,1,0,0,0,0|2,0,0]=4 3346 B9R0.5 CSCCNC(=O)CSC 240690a_100020590264_100000184570 [1,1,0,0,0,0|2,0,0]=4 3347 B9R0.5 CSCCNC(=O)CSC 527a_100020590264_100000184570 [1,1,0,0,0,0|2,0,0]=4 3348 B9R0.5 N#CCC(=O)CCCCF 1458a_100051588842_100000729493 [1,1,0,0,0,0|1,0,1]=4 3349 B9R0.5 N#CCC(=O)CCCCO 1458a_100000695505_100011214920 [1,1,0,0,0,0|1,0,1]=4 3350 B9R0.5 N#CCC(=O)CCCCO 1458a_100051588842_100000210776 [1,1,0,0,0,0|1,0,1]=4 3351 B9R0.5 N#CCCCC(=O)CCF 1458a_100000075515_100011217306 [1,1,0,0,0,0|1,0,1]=4 3352 B9R0.5 N#CCCCC(=O)CCO 1458a_100000075515_100000211926 [1,1,0,0,0,0|1,0,1]=4 3353 B9R0.5 N#CCCCC(=O)CCO 1458a_100011216618_100000211468 [1,1,0,0,0,0|1,0,1]=4 3354 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [1,1,0,0,0,0|1,0,0]=3 3355 B9R0.5 O=C(CCF)COCCO 1458a_100000708028_100011217306 [1,1,0,0,0,0|2,0,0]=4 3356 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [1,1,0,0,0,0|1,0,0]=3 3357 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [1,1,0,0,0,0|1,0,0]=3 3358 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [1,1,0,0,0,0|1,0,0]=3 3359 B9R0.5 O=C(CCO)COCCO 1458a_100000708028_100000211926 [1,1,0,0,0,0|2,0,0]=4 3360 B9R0.5 O=C(CCO)NCCCF 240690a_100015189416_100011216618 [1,1,0,0,0,0|2,0,0]=4 3361 B9R0.5 O=C(CCO)NCCCO 240690a_100000182051_100011216618 [1,1,0,0,0,0|2,0,0]=4 3362 B9R0.8 C#CC(C)C(=O)CCCC 1458a_100000210183_200000035995 [1,1,0,0,0,0|0,0,2]=4 3363 B9R0.8 C#CCCC(=O)C(C)CC 1458a_100000692101_100000758301 [1,1,0,0,0,0|0,0,2]=4 3364 B9R0.8 C#CCCC(=O)C(C)CC 1458a_100011192722_100000753159 [1,1,0,0,0,0|0,0,2]=4 3365 B9R0.8 C#CCCC(=O)C(O)CC 1458a_100011196387_100000753159 [1,1,0,0,0,0|0,0,2]=4 3366 B9R0.8 C/C=C(\C)/C(=O)CCCC 1458a_100020587367_100000210211 [1,1,0,0,0,0|0,0,2]=4 3367 B9R0.8 C/C=C/CC(=O)C(C)CC 1458a_100011192722_100102629194 [1,1,0,0,0,0|0,0,2]=4 3368 B9R0.8 C/C=C/CC(=O)C(O)CC 1458a_100011196387_100102629194 [1,1,0,0,0,0|0,0,2]=4 3369 B9R0.8 C=CC(C)C(=O)CCCC 1458a_100011216780_100000210211 [1,1,0,0,0,0|0,0,2]=4 3370 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100000749702_100000758301 [1,1,0,0,0,0|0,0,2]=4 3371 B9R0.8 C=CCCC(=O)C(C)CC 1458a_100011192722_100000754431 [1,1,0,0,0,0|0,0,2]=4 3372 B9R0.8 C=CCCC(=O)C(O)CC 1458a_100011196387_100000754431 [1,1,0,0,0,0|0,0,2]=4 3373 B9R0.8 CC#CCC(=O)C(C)CC 1458a_100011192722_100000748600 [1,1,0,0,0,0|0,0,2]=4 3374 B9R0.8 CC#CCC(=O)C(O)CC 1458a_100011196387_100000748600 [1,1,0,0,0,0|0,0,2]=4 3375 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100011192722_100000070051 [1,1,0,0,0,0|0,0,2]=4 3376 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100121576822_100000758301 [1,1,0,0,0,0|0,0,2]=4 3377 B9R0.8 CC=CCC(=O)C(O)CC 1458a_100011196387_100000070051 [1,1,0,0,0,0|0,0,2]=4 3378 B9R0.8 CCC#CC(=O)C(C)CC 1458a_100011827653_100000758301 [1,1,0,0,0,0|0,0,2]=4 3379 B9R0.8 CCC(C)C(=O)CCC#N 1458a_100011192722_100011215226 [1,1,0,0,0,0|1,0,1]=4 3380 B9R0.8 CCC(C)C(=O)CCC#N 1458a_100011934036_100000758301 [1,1,0,0,0,0|1,0,1]=4 3381 B9R0.8 CCC(C)C(=O)CCCF 1458a_100011192722_100011934791 [1,1,0,0,0,0|1,0,0]=3 3382 B9R0.8 CCC(C)C(=O)CCCO 1458a_100011192722_100011215043 [1,1,0,0,0,0|1,0,0]=3 3383 B9R0.8 CCC(C)C(=O)CCOC 1458a_100000749529_100000758301 [1,1,0,0,0,0|1,0,0]=3 3384 B9R0.8 CCC(C)C(=O)CCOC 1458a_100011192722_100000233755 [1,1,0,0,0,0|1,0,0]=3 3385 B9R0.8 CCC(C)C(=O)CCSC 1458a_100000174002_100000758301 [1,1,0,0,0,0|1,0,0]=3 3386 B9R0.8 CCC(C)C(=O)CCSC 1458a_100011192722_100000751147 [1,1,0,0,0,0|1,0,0]=3 3387 B9R0.8 CCC(C)C(=O)NCCF 11a_100000724931_100011192722 [1,1,0,0,0,0|2,0,0]=4 3388 B9R0.8 CCC(C)C(=O)NCCF 1626a_100000724931_100011192722 [1,1,0,0,0,0|2,0,0]=4 3389 B9R0.8 CCC(C)C(=O)NCCF 240690a_100000724931_100011192722 [1,1,0,0,0,0|2,0,0]=4 3390 B9R0.8 CCC(C)C(=O)NCCF 527a_100000724931_100011192722 [1,1,0,0,0,0|2,0,0]=4 3391 B9R0.8 CCC(C)C(=O)NCCO 240690a_100000210304_100011192722 [1,1,0,0,0,0|2,0,0]=4 3392 B9R0.8 CCC(C)C(=O)NCCO 527a_100000210304_100011192722 [1,1,0,0,0,0|2,0,0]=4 3393 B9R0.8 CCC(O)C(=O)CCC#N 1458a_100011196387_100011215226 [1,1,0,0,0,0|1,0,1]=4 3394 B9R0.8 CCC(O)C(=O)CCCF 1458a_100011196387_100011934791 [1,1,0,0,0,0|1,0,0]=3 3395 B9R0.8 CCC(O)C(=O)CCCO 1458a_100011196387_100011215043 [1,1,0,0,0,0|1,0,0]=3 3396 B9R0.8 CCC(O)C(=O)CCOC 1458a_100011196387_100000233755 [1,1,0,0,0,0|1,0,0]=3 3397 B9R0.8 CCC(O)C(=O)CCSC 1458a_100011196387_100000751147 [1,1,0,0,0,0|1,0,0]=3 3398 B9R0.8 CCC(O)C(=O)NCCF 240690a_100000724931_100011196387 [1,1,0,0,0,0|2,0,0]=4 3399 B9R0.8 CCC(O)C(=O)NCCO 240690a_100000210304_100011196387 [1,1,0,0,0,0|2,0,0]=4 3400 B9R0.8 CCC=CC(=O)C(C)CC 1458a_100000212282_100000758301 [1,1,0,0,0,0|0,0,2]=4 3401 B9R0.8 CCCCC(=O)C(=O)NC 1458a_100011218921_100000210211 [1,1,0,0,0,0|1,0,1]=4 3402 B9R0.8 CCCCC(=O)C(C)C#N 1458a_100000210183_100000703298 [1,1,0,0,0,0|1,0,1]=4 3403 B9R0.8 CCCCC(=O)C(C)C#N 1458a_100000753662_100000210211 [1,1,0,0,0,0|1,0,1]=4 3404 B9R0.8 CCCCC(=O)C(C)CC 1458a_100000210183_100000758301 [1,1,0,0,0,0|0,0,0]=2 3405 B9R0.8 CCCCC(=O)C(C)CC 1458a_100011192722_100000210211 [1,1,0,0,0,0|0,0,0]=2 3406 B9R0.8 CCCCC(=O)C(C)OC 1458a_100000743197_100000210211 [1,1,0,0,0,0|1,0,0]=3 3407 B9R0.8 CCCCC(=O)C(C)SC 1458a_100000149566_100000210211 [1,1,0,0,0,0|1,0,0]=3 3408 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [1,1,0,0,0,0|0,0,0]=2 3409 B9R0.8 CCCCC(=O)C(O)CO 1458a_100011215603_100000210211 [1,1,0,0,0,0|1,0,0]=3 3410 B9R0.8 CCCCC(=O)N(C)CC 11a_100000225621_100000210183 [1,1,0,0,0,0|1,0,0]=3 3411 B9R0.8 CCCCC(=O)N(C)CC 1626a_100000225621_100000210183 [1,1,0,0,0,0|1,0,0]=3 3412 B9R0.8 CCCCC(=O)N(C)CC 240690a_100000225621_100000210183 [1,1,0,0,0,0|1,0,0]=3 3413 B9R0.8 CCCCC(=O)N(C)CC 527a_100000225621_100000210183 [1,1,0,0,0,0|1,0,0]=3 3414 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [1,1,0,0,0,0|0,0,2]=4 3415 B9R0.8 CCCCN(C)C(C)CC 2230a_100000207357_200000210301 [1,1,0,0,0,0|2,0,0]=4 3416 B9R0.8 CCCCN(C)C(C)CC 2230a_100000207549_100000758301 [1,1,0,0,0,0|2,0,0]=4 3417 B9R0.8 CCCCN(C)C(C)CC 2230a_100000741768_100000210211 [1,1,0,0,0,0|2,0,0]=4 3418 B9R0.8 CCCCN(C)C(C)CC 269982a_100000207357_200000210301 [1,1,0,0,0,0|2,0,0]=4 3419 B9R0.8 CCCCN(C)C(C)CC 269982a_100000207549_100000758301 [1,1,0,0,0,0|2,0,0]=4 3420 B9R0.8 CCCCN(C)C(C)CC 269982a_100000741768_100000210211 [1,1,0,0,0,0|2,0,0]=4 3421 B9R0.8 CCCCN([13CH3])C(C)CC 2230a_100000207357_200025704644 [1,1,0,0,0,0|2,0,0]=4 3422 B9R0.8 CCCCN([13CH3])C(C)CC 269982a_100000207357_200025704644 [1,1,0,0,0,0|2,0,0]=4 3423 B9R0.8 CCCNC(=O)C(=O)CC 1458a_200011297150_100000210202 [1,1,0,0,0,0|1,0,1]=4 3424 B9R0.8 CCCNC(=O)C(C)CC 11a_100020643023_100011192722 [1,1,0,0,0,0|1,0,0]=3 3425 B9R0.8 CCCNC(=O)C(C)CC 1626a_100020643023_100011192722 [1,1,0,0,0,0|1,0,0]=3 3426 B9R0.8 CCCNC(=O)C(C)CC 240690a_100020643023_100011192722 [1,1,0,0,0,0|1,0,0]=3 3427 B9R0.8 CCCNC(=O)C(C)CC 527a_100020643023_100011192722 [1,1,0,0,0,0|1,0,0]=3 3428 B9R0.8 CCCNC(=O)C(C)NC 2230a_100025744714_200000210301 [1,1,0,0,0,0|2,0,0]=4 3429 B9R0.8 CCCNC(=O)C(C)NC 2230a_106832991635_100000230305 [1,1,0,0,0,0|2,0,0]=4 3430 B9R0.8 CCCNC(=O)C(C)NC 34a_100025744714_200000210301 [1,1,0,0,0,0|2,0,0]=4 3431 B9R0.8 CCCNC(=O)C(C)NC 34a_100102657272_100000230305 [1,1,0,0,0,0|2,0,0]=4 3432 B9R0.8 CCCNC(=O)C(C)NC 7a_106832991635_100000230305 [1,1,0,0,0,0|2,0,0]=4 3433 B9R0.8 CCCNC(=O)C(C)N[13CH3] 2230a_100025744714_200025704644 [1,1,0,0,0,0|2,0,0]=4 3434 B9R0.8 CCCNC(=O)C(C)N[13CH3] 34a_100025744714_200025704644 [1,1,0,0,0,0|2,0,0]=4 3435 B9R0.8 CCCNC(=O)C(C)OC 11a_100020643023_100000743197 [1,1,0,0,0,0|2,0,0]=4 3436 B9R0.8 CCCNC(=O)C(C)OC 1626a_100020643023_100000743197 [1,1,0,0,0,0|2,0,0]=4 3437 B9R0.8 CCCNC(=O)C(C)OC 240690a_100020643023_100000743197 [1,1,0,0,0,0|2,0,0]=4 3438 B9R0.8 CCCNC(=O)C(C)OC 34a_100138415774_100000230305 [1,1,0,0,0,0|2,0,0]=4 3439 B9R0.8 CCCNC(=O)C(C)OC 527a_100020643023_100000743197 [1,1,0,0,0,0|2,0,0]=4 3440 B9R0.8 CCCNC(=O)C(C)SC 11a_100020643023_100000149566 [1,1,0,0,0,0|2,0,0]=4 3441 B9R0.8 CCCNC(=O)C(C)SC 1626a_100020643023_100000149566 [1,1,0,0,0,0|2,0,0]=4 3442 B9R0.8 CCCNC(=O)C(C)SC 240690a_100020643023_100000149566 [1,1,0,0,0,0|2,0,0]=4 3443 B9R0.8 CCCNC(=O)C(C)SC 527a_100020643023_100000149566 [1,1,0,0,0,0|2,0,0]=4 3444 B9R0.8 CCCNC(=O)C(C)SC 62a_100000230305_200000210301 [1,1,0,0,0,0|2,0,0]=4 3445 B9R0.8 CCCNC(=O)C(C)SC 62a_200000210301_100000230305 [1,1,0,0,0,0|2,0,0]=4 3446 B9R0.8 CCCNC(=O)C(C)S[13CH3] 62a_100000230305_200025704644 [1,1,0,0,0,0|2,0,0]=4 3447 B9R0.8 CCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230305 [1,1,0,0,0,0|2,0,0]=4 3448 B9R0.8 CCCNC(=O)C(O)CC 240690a_100020643023_100011196387 [1,1,0,0,0,0|1,0,0]=3 3449 B9R0.8 CCCNC(=O)C(O)CO 240690a_100020643023_100011215603 [1,1,0,0,0,0|2,0,0]=4 3450 B9R0.8 CCCNC(=O)N(C)CC 2708a_100020643023_100000225621 [1,1,0,0,0,0|2,0,0]=4 3451 B9R0.8 CCCNC(=O)N(C)CC 273464a_100020643023_100000225621 [1,1,0,0,0,0|2,0,0]=4 3452 B9R0.8 CCCNC(C)C(C)CC 269862a_100020643023_100000210599 [1,1,0,0,0,0|2,0,0]=4 3453 B9R0.8 CCCNC(C)C(C)CC 270004a_100020643023_100000210599 [1,1,0,0,0,0|2,0,0]=4 3454 B9R0.8 CCCOC(=O)C(C)NC 2230a_106832991635_100000760410 [1,1,0,0,0,0|2,0,0]=4 3455 B9R0.8 CCCOC(=O)C(C)NC 34a_100102657272_100000760410 [1,1,0,0,0,0|2,0,0]=4 3456 B9R0.8 CCCOC(=O)C(C)NC 7a_106832991635_100000760410 [1,1,0,0,0,0|2,0,0]=4 3457 B9R0.8 CCCOC(=O)C(C)OC 34a_100000037348_200000210301 [1,1,0,0,0,0|2,0,0]=4 3458 B9R0.8 CCCOC(=O)C(C)OC 34a_100138415774_100000760410 [1,1,0,0,0,0|2,0,0]=4 3459 B9R0.8 CCCOC(=O)C(C)OC 7a_100000037348_200000210301 [1,1,0,0,0,0|2,0,0]=4 3460 B9R0.8 CCCOC(=O)C(C)O[13CH3] 34a_100000037348_200025704644 [1,1,0,0,0,0|2,0,0]=4 3461 B9R0.8 CCCOC(=O)C(C)O[13CH3] 7a_100000037348_200025704644 [1,1,0,0,0,0|2,0,0]=4 3462 B9R0.8 CCCOC(=O)C(C)SC 62a_100000760410_200000210301 [1,1,0,0,0,0|2,0,0]=4 3463 B9R0.8 CCCOC(=O)C(C)SC 62a_200000210301_100000760410 [1,1,0,0,0,0|2,0,0]=4 3464 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_100000760410_200025704644 [1,1,0,0,0,0|2,0,0]=4 3465 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_200025704644_100000760410 [1,1,0,0,0,0|2,0,0]=4 3466 B9R0.8 CCCOC(C)C(C)CC 7a_100011215189_100000210303 [1,1,0,0,0,0|2,0,0]=4 3467 B9R0.8 CCN(C)C(=O)CCOC 11a_100000225621_100000749529 [1,1,0,0,0,0|2,0,0]=4 3468 B9R0.8 CCN(C)C(=O)CCOC 1626a_100000225621_100000749529 [1,1,0,0,0,0|2,0,0]=4 3469 B9R0.8 CCN(C)C(=O)CCOC 240690a_100000225621_100000749529 [1,1,0,0,0,0|2,0,0]=4 3470 B9R0.8 CCN(C)C(=O)CCOC 527a_100000225621_100000749529 [1,1,0,0,0,0|2,0,0]=4 3471 B9R0.8 CCN(C)C(=O)CCSC 11a_100000225621_100000174002 [1,1,0,0,0,0|2,0,0]=4 3472 B9R0.8 CCN(C)C(=O)CCSC 1626a_100000225621_100000174002 [1,1,0,0,0,0|2,0,0]=4 3473 B9R0.8 CCN(C)C(=O)CCSC 240690a_100000225621_100000174002 [1,1,0,0,0,0|2,0,0]=4 3474 B9R0.8 CCN(C)C(=O)CCSC 527a_100000225621_100000174002 [1,1,0,0,0,0|2,0,0]=4 3475 B9R0.8 CCNCC(=O)N(C)CC 2230a_100015525214_100000738999 [1,1,0,0,0,0|2,0,0]=4 3476 B9R0.8 CCNNC(=O)C(C)CC 22a_100000756455_100011192722 [1,1,0,0,0,0|2,0,0]=4 3477 B9R0.8 CCNNC(=O)C(O)CC 22a_100000756455_100011196387 [1,1,0,0,0,0|2,0,0]=4 3478 B9R0.8 CCOCC(=O)C(C)CC 1458a_100000211967_100000758301 [1,1,0,0,0,0|1,0,0]=3 3479 B9R0.8 CCOCC(=O)N(C)CC 11a_100000225621_100000211967 [1,1,0,0,0,0|2,0,0]=4 3480 B9R0.8 CCOCC(=O)N(C)CC 1626a_100000225621_100000211967 [1,1,0,0,0,0|2,0,0]=4 3481 B9R0.8 CCOCC(=O)N(C)CC 240690a_100000225621_100000211967 [1,1,0,0,0,0|2,0,0]=4 3482 B9R0.8 CCOCC(=O)N(C)CC 34a_100121572206_100000738999 [1,1,0,0,0,0|2,0,0]=4 3483 B9R0.8 CCOCC(=O)N(C)CC 527a_100000225621_100000211967 [1,1,0,0,0,0|2,0,0]=4 3484 B9R0.8 CCSCC(=O)C(C)CC 1458a_100000230394_100000758301 [1,1,0,0,0,0|1,0,0]=3 3485 B9R0.8 CCSCC(=O)N(C)CC 11a_100000225621_100000230394 [1,1,0,0,0,0|2,0,0]=4 3486 B9R0.8 CCSCC(=O)N(C)CC 1626a_100000225621_100000230394 [1,1,0,0,0,0|2,0,0]=4 3487 B9R0.8 CCSCC(=O)N(C)CC 240690a_100000225621_100000230394 [1,1,0,0,0,0|2,0,0]=4 3488 B9R0.8 CCSCC(=O)N(C)CC 527a_100000225621_100000230394 [1,1,0,0,0,0|2,0,0]=4 3489 B9R0.8 CCSCC(=O)N(C)CC 62a_100000210202_100000738999 [1,1,0,0,0,0|2,0,0]=4 3490 B9R0.8 CCSCC(=O)N(C)CC 62a_100000738999_100000210202 [1,1,0,0,0,0|2,0,0]=4 3491 B9R0.8 COC(C)C(=O)CCCF 1458a_100000743197_100011934791 [1,1,0,0,0,0|2,0,0]=4 3492 B9R0.8 COC(C)C(=O)CCCO 1458a_100000743197_100011215043 [1,1,0,0,0,0|2,0,0]=4 3493 B9R0.8 COC(C)C(=O)CCSC 1458a_100000743197_100000751147 [1,1,0,0,0,0|2,0,0]=4 3494 B9R0.8 COCCC(=O)C(C)OC 1458a_100000743197_100000233755 [1,1,0,0,0,0|2,0,0]=4 3495 B9R0.8 COCCC(=O)C(C)SC 1458a_100000149566_100000233755 [1,1,0,0,0,0|2,0,0]=4 3496 B9R0.8 COCCC(=O)C(O)CO 1458a_100011215603_100000233755 [1,1,0,0,0,0|2,0,0]=4 3497 B9R0.8 CSC(C)C(=O)CCCF 1458a_100000149566_100011934791 [1,1,0,0,0,0|2,0,0]=4 3498 B9R0.8 CSC(C)C(=O)CCCO 1458a_100000149566_100011215043 [1,1,0,0,0,0|2,0,0]=4 3499 B9R0.8 CSCCC(=O)C(C)SC 1458a_100000149566_100000751147 [1,1,0,0,0,0|2,0,0]=4 3500 B9R0.8 CSCCC(=O)C(O)CO 1458a_100011215603_100000751147 [1,1,0,0,0,0|2,0,0]=4 3501 B9R0.8 O=C(CCCF)C(O)CO 1458a_100011215603_100011934791 [1,1,0,0,0,0|2,0,0]=4 3502 B9R0.8 O=C(CCCO)C(O)CO 1458a_100011215603_100011215043 [1,1,0,0,0,0|2,0,0]=4 3503 B9R0.18 C#CCCC(=O)CCCC 1458a_100000210183_100000753159 [1,1,0,0,0,0|0,0,1]=3 3504 B9R0.18 C#CCCC(=O)CCCC 1458a_100000692101_100000210211 [1,1,0,0,0,0|0,0,1]=3 3505 B9R0.18 C#CCCC(=O)CCCF 1458a_100000692101_100011934791 [1,1,0,0,0,0|0,0,2]=4 3506 B9R0.18 C#CCCC(=O)CCCO 1458a_100000692101_100011215043 [1,1,0,0,0,0|0,0,2]=4 3507 B9R0.18 C#CCCC(=O)CCOC 1458a_100000692101_100000233755 [1,1,0,0,0,0|0,0,2]=4 3508 B9R0.18 C#CCCC(=O)CCOC 1458a_100000749529_100000753159 [1,1,0,0,0,0|0,0,2]=4 3509 B9R0.18 C#CCCC(=O)CCOC 34a_100011064465_200000210301 [1,1,0,0,0,0|0,0,2]=4 3510 B9R0.18 C#CCCC(=O)CCOC 7a_100011064465_200000210301 [1,1,0,0,0,0|0,0,2]=4 3511 B9R0.18 C#CCCC(=O)CCO[13CH3] 34a_100011064465_200025704644 [1,1,0,0,0,0|0,0,2]=4 3512 B9R0.18 C#CCCC(=O)CCO[13CH3] 7a_100011064465_200025704644 [1,1,0,0,0,0|0,0,2]=4 3513 B9R0.18 C#CCCC(=O)CCSC 1458a_100000174002_100000753159 [1,1,0,0,0,0|0,0,2]=4 3514 B9R0.18 C#CCCC(=O)CCSC 1458a_100000692101_100000751147 [1,1,0,0,0,0|0,0,2]=4 3515 B9R0.18 C#CCCC(=O)COCC 1458a_100000211967_100000753159 [1,1,0,0,0,0|0,0,2]=4 3516 B9R0.18 C#CCCC(=O)CSCC 1458a_100000230394_100000753159 [1,1,0,0,0,0|0,0,2]=4 3517 B9R0.18 C#CCCC(=O)NCCC 11a_100020643023_100000692101 [1,1,0,0,0,0|0,0,2]=4 3518 B9R0.18 C#CCCC(=O)NCCC 1626a_100020643023_100000692101 [1,1,0,0,0,0|0,0,2]=4 3519 B9R0.18 C#CCCC(=O)NCCC 240690a_100020643023_100000692101 [1,1,0,0,0,0|0,0,2]=4 3520 B9R0.18 C#CCCC(=O)NCCC 527a_100020643023_100000692101 [1,1,0,0,0,0|0,0,2]=4 3521 B9R0.18 C#CCNC(=O)CCCC 11a_100000212058_100000210183 [1,1,0,0,0,0|0,0,2]=4 3522 B9R0.18 C#CCNC(=O)CCCC 1626a_100000212058_100000210183 [1,1,0,0,0,0|0,0,2]=4 3523 B9R0.18 C#CCNC(=O)CCCC 240690a_100000212058_100000210183 [1,1,0,0,0,0|0,0,2]=4 3524 B9R0.18 C#CCNC(=O)CCCC 527a_100000212058_100000210183 [1,1,0,0,0,0|0,0,2]=4 3525 B9R0.18 C/C=C/CC(=O)CCCC 1458a_100000210183_100102629194 [1,1,0,0,0,0|0,0,1]=3 3526 B9R0.18 C/C=C/CC(=O)CCOC 1458a_100000749529_100102629194 [1,1,0,0,0,0|0,0,2]=4 3527 B9R0.18 C/C=C/CC(=O)CCSC 1458a_100000174002_100102629194 [1,1,0,0,0,0|0,0,2]=4 3528 B9R0.18 C/C=C/CC(=O)COCC 1458a_100000211967_100102629194 [1,1,0,0,0,0|0,0,2]=4 3529 B9R0.18 C/C=C/CC(=O)CSCC 1458a_100000230394_100102629194 [1,1,0,0,0,0|0,0,2]=4 3530 B9R0.18 C=CCCC(=O)CCCC 1458a_100000210183_100000754431 [1,1,0,0,0,0|0,0,1]=3 3531 B9R0.18 C=CCCC(=O)CCCC 1458a_100000749702_100000210211 [1,1,0,0,0,0|0,0,1]=3 3532 B9R0.18 C=CCCC(=O)CCCF 1458a_100000749702_100011934791 [1,1,0,0,0,0|0,0,2]=4 3533 B9R0.18 C=CCCC(=O)CCCO 1458a_100000749702_100011215043 [1,1,0,0,0,0|0,0,2]=4 3534 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749529_100000754431 [1,1,0,0,0,0|0,0,2]=4 3535 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749702_100000233755 [1,1,0,0,0,0|0,0,2]=4 3536 B9R0.18 C=CCCC(=O)CCSC 1458a_100000174002_100000754431 [1,1,0,0,0,0|0,0,2]=4 3537 B9R0.18 C=CCCC(=O)CCSC 1458a_100000749702_100000751147 [1,1,0,0,0,0|0,0,2]=4 3538 B9R0.18 C=CCCC(=O)COCC 1458a_100000211967_100000754431 [1,1,0,0,0,0|0,0,2]=4 3539 B9R0.18 C=CCCC(=O)CSCC 1458a_100000230394_100000754431 [1,1,0,0,0,0|0,0,2]=4 3540 B9R0.18 C=CCCC(=O)NCCC 11a_100020643023_100000749702 [1,1,0,0,0,0|0,0,2]=4 3541 B9R0.18 C=CCCC(=O)NCCC 1626a_100020643023_100000749702 [1,1,0,0,0,0|0,0,2]=4 3542 B9R0.18 C=CCCC(=O)NCCC 240690a_100020643023_100000749702 [1,1,0,0,0,0|0,0,2]=4 3543 B9R0.18 C=CCCC(=O)NCCC 527a_100020643023_100000749702 [1,1,0,0,0,0|0,0,2]=4 3544 B9R0.18 C=CCNC(=O)CCCC 1626a_100020586998_100000210183 [1,1,0,0,0,0|0,0,2]=4 3545 B9R0.18 C=CCNC(=O)CCCC 240690a_100020586998_100000210183 [1,1,0,0,0,0|0,0,2]=4 3546 B9R0.18 C=CCNC(=O)CCCC 527a_100020586998_100000210183 [1,1,0,0,0,0|0,0,2]=4 3547 B9R0.18 CC#CCC(=O)CCCC 1458a_100000210183_100000748600 [1,1,0,0,0,0|0,0,1]=3 3548 B9R0.18 CC#CCC(=O)CCOC 1458a_100000749529_100000748600 [1,1,0,0,0,0|0,0,2]=4 3549 B9R0.18 CC#CCC(=O)CCSC 1458a_100000174002_100000748600 [1,1,0,0,0,0|0,0,2]=4 3550 B9R0.18 CC#CCC(=O)COCC 1458a_100000211967_100000748600 [1,1,0,0,0,0|0,0,2]=4 3551 B9R0.18 CC#CCC(=O)CSCC 1458a_100000230394_100000748600 [1,1,0,0,0,0|0,0,2]=4 3552 B9R0.18 CC=CCC(=O)CCCC 1458a_100000210183_100000070051 [1,1,0,0,0,0|0,0,1]=3 3553 B9R0.18 CC=CCC(=O)CCCC 1458a_100121576822_100000210211 [1,1,0,0,0,0|0,0,1]=3 3554 B9R0.18 CC=CCC(=O)CCCF 1458a_100121576822_100011934791 [1,1,0,0,0,0|0,0,2]=4 3555 B9R0.18 CC=CCC(=O)CCCO 1458a_100121576822_100011215043 [1,1,0,0,0,0|0,0,2]=4 3556 B9R0.18 CC=CCC(=O)CCOC 1458a_100000749529_100000070051 [1,1,0,0,0,0|0,0,2]=4 3557 B9R0.18 CC=CCC(=O)CCOC 1458a_100121576822_100000233755 [1,1,0,0,0,0|0,0,2]=4 3558 B9R0.18 CC=CCC(=O)CCSC 1458a_100000174002_100000070051 [1,1,0,0,0,0|0,0,2]=4 3559 B9R0.18 CC=CCC(=O)CCSC 1458a_100121576822_100000751147 [1,1,0,0,0,0|0,0,2]=4 3560 B9R0.18 CC=CCC(=O)COCC 1458a_100000211967_100000070051 [1,1,0,0,0,0|0,0,2]=4 3561 B9R0.18 CC=CCC(=O)CSCC 1458a_100000230394_100000070051 [1,1,0,0,0,0|0,0,2]=4 3562 B9R0.18 CC=CCC(=O)NCCC 11a_100020643023_100121576822 [1,1,0,0,0,0|0,0,2]=4 3563 B9R0.18 CC=CCC(=O)NCCC 1626a_100020643023_100121576822 [1,1,0,0,0,0|0,0,2]=4 3564 B9R0.18 CC=CCC(=O)NCCC 240690a_100020643023_100121576822 [1,1,0,0,0,0|0,0,2]=4 3565 B9R0.18 CC=CCC(=O)NCCC 527a_100020643023_100121576822 [1,1,0,0,0,0|0,0,2]=4 3566 B9R0.18 CC=NNC(=O)CCCC 4a_100000189769_200000210099 [1,1,0,0,0,0|1,0,1]=4 3567 B9R0.18 CCC#CC(=O)CCCC 1458a_100011827653_100000210211 [1,1,0,0,0,0|0,0,1]=3 3568 B9R0.18 CCC#CC(=O)CCCF 1458a_100011827653_100011934791 [1,1,0,0,0,0|0,0,2]=4 3569 B9R0.18 CCC#CC(=O)CCCO 1458a_100011827653_100011215043 [1,1,0,0,0,0|0,0,2]=4 3570 B9R0.18 CCC#CC(=O)CCOC 1458a_100011827653_100000233755 [1,1,0,0,0,0|0,0,2]=4 3571 B9R0.18 CCC#CC(=O)CCSC 1458a_100011827653_100000751147 [1,1,0,0,0,0|0,0,2]=4 3572 B9R0.18 CCC=CC(=O)CCCC 1458a_100000212282_100000210211 [1,1,0,0,0,0|0,0,1]=3 3573 B9R0.18 CCC=CC(=O)CCCF 1458a_100000212282_100011934791 [1,1,0,0,0,0|0,0,2]=4 3574 B9R0.18 CCC=CC(=O)CCCO 1458a_100000212282_100011215043 [1,1,0,0,0,0|0,0,2]=4 3575 B9R0.18 CCC=CC(=O)CCOC 1458a_100000212282_100000233755 [1,1,0,0,0,0|0,0,2]=4 3576 B9R0.18 CCC=CC(=O)CCSC 1458a_100000212282_100000751147 [1,1,0,0,0,0|0,0,2]=4 3577 B9R0.18 CCC=CC(=O)NCCC 11a_100020643023_100000212282 [1,1,0,0,0,0|0,0,2]=4 3578 B9R0.18 CCC=CC(=O)NCCC 1626a_100020643023_100000212282 [1,1,0,0,0,0|0,0,2]=4 3579 B9R0.18 CCC=CC(=O)NCCC 240690a_100020643023_100000212282 [1,1,0,0,0,0|0,0,2]=4 3580 B9R0.18 CCCCC(=NNCC)C 4a_100000756455_100000210087 [1,1,0,0,0,0|2,0,0]=4 3581 B9R0.18 CCCCC(=O)C#CCO 1458a_100000049017_100000210211 [1,1,0,0,0,0|0,0,2]=4 3582 B9R0.18 CCCCC(=O)C=COC 1458a_100016268678_100000210211 [1,1,0,0,0,0|0,0,2]=4 3583 B9R0.18 CCCCC(=O)CCC#N 1458a_100000210183_100011215226 [1,1,0,0,0,0|0,0,1]=3 3584 B9R0.18 CCCCC(=O)CCC#N 1458a_100011934036_100000210211 [1,1,0,0,0,0|0,0,1]=3 3585 B9R0.18 CCCCC(=O)CCCC 1458a_100000210183_100000210211 [1,1,0,0,0,0|0,0,0]=2 3586 B9R0.18 CCCCC(=O)CCCF 1458a_100000210183_100011934791 [1,1,0,0,0,0|0,0,0]=2 3587 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [1,1,0,0,0,0|0,0,0]=2 3588 B9R0.18 CCCCC(=O)CCOC 1458a_100000210183_100000233755 [1,1,0,0,0,0|0,0,0]=2 3589 B9R0.18 CCCCC(=O)CCOC 1458a_100000749529_100000210211 [1,1,0,0,0,0|0,0,0]=2 3590 B9R0.18 CCCCC(=O)CCSC 1458a_100000174002_100000210211 [1,1,0,0,0,0|0,0,0]=2 3591 B9R0.18 CCCCC(=O)CCSC 1458a_100000210183_100000751147 [1,1,0,0,0,0|0,0,0]=2 3592 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [1,1,0,0,0,0|0,0,0]=2 3593 B9R0.18 CCCCC(=O)CSCC 1458a_100000230394_100000210211 [1,1,0,0,0,0|0,0,0]=2 3594 B9R0.18 CCCCC(=O)NCC#N 1626a_100000734998_100000210183 [1,1,0,0,0,0|1,0,1]=4 3595 B9R0.18 CCCCC(=O)NCC#N 527a_100000734998_100000210183 [1,1,0,0,0,0|1,0,1]=4 3596 B9R0.18 CCCCC(=O)NCCC 11a_100020643023_100000210183 [1,1,0,0,0,0|0,0,0]=2 3597 B9R0.18 CCCCC(=O)NCCC 1626a_100020643023_100000210183 [1,1,0,0,0,0|0,0,0]=2 3598 B9R0.18 CCCCC(=O)NCCC 240690a_100020643023_100000210183 [1,1,0,0,0,0|0,0,0]=2 3599 B9R0.18 CCCCC(=O)NCCC 527a_100020643023_100000210183 [1,1,0,0,0,0|0,0,0]=2 3600 B9R0.18 CCCCC(=O)NCCF 11a_100000724931_100000210183 [1,1,0,0,0,0|1,0,0]=3 3601 B9R0.18 CCCCC(=O)NCCF 1626a_100000724931_100000210183 [1,1,0,0,0,0|1,0,0]=3 3602 B9R0.18 CCCCC(=O)NCCF 240690a_100000724931_100000210183 [1,1,0,0,0,0|1,0,0]=3 3603 B9R0.18 CCCCC(=O)NCCF 527a_100000724931_100000210183 [1,1,0,0,0,0|1,0,0]=3 3604 B9R0.18 CCCCC(=O)NCCO 240690a_100000210304_100000210183 [1,1,0,0,0,0|1,0,0]=3 3605 B9R0.18 CCCCC(=O)NCCO 527a_100000210304_100000210183 [1,1,0,0,0,0|1,0,0]=3 3606 B9R0.18 CCCCC(=O)NNCC 22a_100000756455_100000210183 [1,1,0,0,0,0|1,0,0]=3 3607 B9R0.18 CCCCC(C)COCC 34a_100011995851_100000210202 [1,1,0,0,0,0|1,0,1]=4 3608 B9R0.18 CCCCC(C)COCC 7a_100011995851_100000210202 [1,1,0,0,0,0|1,0,1]=4 3609 B9R0.18 CCCCC(C)NCCC 2230a_100000126638_100000210303 [1,1,0,0,0,0|1,0,1]=4 3610 B9R0.18 CCCCC(C)NCCC 270004a_100020643023_100000210087 [1,1,0,0,0,0|1,0,1]=4 3611 B9R0.18 CCCCC(C)OCCC 34a_100000210258_200011215066 [1,1,0,0,0,0|1,0,1]=4 3612 B9R0.18 CCCCC(C)OCCC 34a_100000687866_100000210303 [1,1,0,0,0,0|1,0,1]=4 3613 B9R0.18 CCCCC(C)OCCC 7a_100000687866_100000210303 [1,1,0,0,0,0|1,0,1]=4 3614 B9R0.18 CCCCC(C)SCCC 62a_100000210303_200011215066 [1,1,0,0,0,0|1,0,1]=4 3615 B9R0.18 CCCCC(C)SCCC 62a_200011215066_100000210303 [1,1,0,0,0,0|1,0,1]=4 3616 B9R0.18 CCCCN(C)CCCC 2230a_100000207549_100000210211 [1,1,0,0,0,0|2,0,0]=4 3617 B9R0.18 CCCCN(C)CCCC 2230a_100000684618_200000210301 [1,1,0,0,0,0|2,0,0]=4 3618 B9R0.18 CCCCN(C)CCCC 269982a_100000207549_100000210211 [1,1,0,0,0,0|2,0,0]=4 3619 B9R0.18 CCCCN(C)CCCC 269982a_100000684618_200000210301 [1,1,0,0,0,0|2,0,0]=4 3620 B9R0.18 CCCCN(C)CCCF 2230a_100000207549_100011934791 [1,1,0,0,0,0|2,0,0]=4 3621 B9R0.18 CCCCN(C)CCCF 269982a_100000207549_100011934791 [1,1,0,0,0,0|2,0,0]=4 3622 B9R0.18 CCCCN(C)CCCO 2230a_100000207549_100000230001 [1,1,0,0,0,0|2,0,0]=4 3623 B9R0.18 CCCCN(C)CCCO 2230a_100000213112_100000210211 [1,1,0,0,0,0|2,0,0]=4 3624 B9R0.18 CCCCN(C)CCCO 269982a_100000207549_100011215043 [1,1,0,0,0,0|2,0,0]=4 3625 B9R0.18 CCCCN(C)CCCO 269982a_100000213112_100000210211 [1,1,0,0,0,0|2,0,0]=4 3626 B9R0.18 CCCCN(C)CCOC 2230a_100000207391_200000210301 [1,1,0,0,0,0|2,0,0]=4 3627 B9R0.18 CCCCN(C)CCOC 2230a_100000207549_100011201679 [1,1,0,0,0,0|2,0,0]=4 3628 B9R0.18 CCCCN(C)CCOC 2230a_100000743101_100000210211 [1,1,0,0,0,0|2,0,0]=4 3629 B9R0.18 CCCCN(C)CCOC 269982a_100000207391_200000210301 [1,1,0,0,0,0|2,0,0]=4 3630 B9R0.18 CCCCN(C)CCOC 269982a_100000207549_100000233755 [1,1,0,0,0,0|2,0,0]=4 3631 B9R0.18 CCCCN(C)CCOC 269982a_100000743101_100000210211 [1,1,0,0,0,0|2,0,0]=4 3632 B9R0.18 CCCCN(C)CCSC 2230a_100000207549_100000751147 [1,1,0,0,0,0|2,0,0]=4 3633 B9R0.18 CCCCN(C)CCSC 2230a_100000686725_100000210211 [1,1,0,0,0,0|2,0,0]=4 3634 B9R0.18 CCCCN(C)CCSC 269982a_100000207549_100000212216 [1,1,0,0,0,0|2,0,0]=4 3635 B9R0.18 CCCCN(C)CCSC 269982a_100000686725_100000210211 [1,1,0,0,0,0|2,0,0]=4 3636 B9R0.18 CCCCN(C)COCC 269982a_100000207549_100000739092 [1,1,0,0,0,0|2,0,0]=4 3637 B9R0.18 CCCCN([13CH3])CCCC 2230a_100000684618_200025704644 [1,1,0,0,0,0|2,0,0]=4 3638 B9R0.18 CCCCN([13CH3])CCCC 269982a_100000684618_200025704644 [1,1,0,0,0,0|2,0,0]=4 3639 B9R0.18 CCCCN([13CH3])CCOC 2230a_100000207391_200025704644 [1,1,0,0,0,0|2,0,0]=4 3640 B9R0.18 CCCCN([13CH3])CCOC 269982a_100000207391_200025704644 [1,1,0,0,0,0|2,0,0]=4 3641 B9R0.18 CCCC[C@H](N)COCC 34a_100011934283_100000210202 [1,1,0,0,0,0|1,0,1]=4 3642 B9R0.18 CCCNC(=O)CCC#N 11a_100020643023_100011934036 [1,1,0,0,0,0|1,0,1]=4 3643 B9R0.18 CCCNC(=O)CCC#N 1626a_100020643023_100011934036 [1,1,0,0,0,0|1,0,1]=4 3644 B9R0.18 CCCNC(=O)CCC#N 240690a_100020643023_100011934036 [1,1,0,0,0,0|1,0,1]=4 3645 B9R0.18 CCCNC(=O)CCC#N 527a_100020643023_100011934036 [1,1,0,0,0,0|1,0,1]=4 3646 B9R0.18 CCCNC(=O)CCOC 11a_100020643023_100000749529 [1,1,0,0,0,0|1,0,0]=3 3647 B9R0.18 CCCNC(=O)CCOC 1626a_100020643023_100000749529 [1,1,0,0,0,0|1,0,0]=3 3648 B9R0.18 CCCNC(=O)CCOC 240690a_100020643023_100000749529 [1,1,0,0,0,0|1,0,0]=3 3649 B9R0.18 CCCNC(=O)CCOC 527a_100020643023_100000749529 [1,1,0,0,0,0|1,0,0]=3 3650 B9R0.18 CCCNC(=O)CCSC 11a_100020643023_100000174002 [1,1,0,0,0,0|1,0,0]=3 3651 B9R0.18 CCCNC(=O)CCSC 1626a_100020643023_100000174002 [1,1,0,0,0,0|1,0,0]=3 3652 B9R0.18 CCCNC(=O)CCSC 240690a_100020643023_100000174002 [1,1,0,0,0,0|1,0,0]=3 3653 B9R0.18 CCCNC(=O)CCSC 527a_100020643023_100000174002 [1,1,0,0,0,0|1,0,0]=3 3654 B9R0.18 CCCNC(=O)CNCC 2230a_100000174927_100000210202 [1,1,0,0,0,0|1,0,0]=3 3655 B9R0.18 CCCNC(=O)CNCC 2230a_100015525214_100000183358 [1,1,0,0,0,0|1,0,0]=3 3656 B9R0.18 CCCNC(=O)COCC 11a_100020643023_100000211967 [1,1,0,0,0,0|1,0,0]=3 3657 B9R0.18 CCCNC(=O)COCC 1626a_100020643023_100000211967 [1,1,0,0,0,0|1,0,0]=3 3658 B9R0.18 CCCNC(=O)COCC 240690a_100020643023_100000211967 [1,1,0,0,0,0|1,0,0]=3 3659 B9R0.18 CCCNC(=O)COCC 34a_100121572206_100000183358 [1,1,0,0,0,0|1,0,0]=3 3660 B9R0.18 CCCNC(=O)COCC 527a_100020643023_100000211967 [1,1,0,0,0,0|1,0,0]=3 3661 B9R0.18 CCCNC(=O)CSCC 11a_100020643023_100000230394 [1,1,0,0,0,0|1,0,0]=3 3662 B9R0.18 CCCNC(=O)CSCC 1626a_100020643023_100000230394 [1,1,0,0,0,0|1,0,0]=3 3663 B9R0.18 CCCNC(=O)CSCC 240690a_100020643023_100000230394 [1,1,0,0,0,0|1,0,0]=3 3664 B9R0.18 CCCNC(=O)CSCC 527a_100020643023_100000230394 [1,1,0,0,0,0|1,0,0]=3 3665 B9R0.18 CCCNC(=O)CSCC 62a_100000183358_100000210202 [1,1,0,0,0,0|1,0,0]=3 3666 B9R0.18 CCCNC(=O)CSCC 62a_100000210202_100000183358 [1,1,0,0,0,0|1,0,0]=3 3667 B9R0.18 CCCNC(=O)CSCF 62a_100000183358_100015361967 [1,1,0,0,0,0|2,0,0]=4 3668 B9R0.18 CCCNC(=O)CSCF 62a_100015361967_100000183358 [1,1,0,0,0,0|2,0,0]=4 3669 B9R0.18 CCCNC(=O)NCCC 2708a_100020643023_100020643023 [1,1,0,0,0,0|1,0,0]=3 3670 B9R0.18 CCCNC(=O)NCCC 273464a_100020643023_100020643023 [1,1,0,0,0,0|1,0,0]=3 3671 B9R0.18 CCCNC(=O)NCCC 512a_100020643023_100020643023 [1,1,0,0,0,0|1,0,0]=3 3672 B9R0.18 CCCNC(=O)NCCF 2708a_100020643023_100000724931 [1,1,0,0,0,0|2,0,0]=4 3673 B9R0.18 CCCNC(=O)NCCF 273464a_100000724931_100020643023 [1,1,0,0,0,0|2,0,0]=4 3674 B9R0.18 CCCNC(=O)NCCF 273464a_100020643023_100000724931 [1,1,0,0,0,0|2,0,0]=4 3675 B9R0.18 CCCNC(=O)NCCF 512a_100020643023_100000724931 [1,1,0,0,0,0|2,0,0]=4 3676 B9R0.18 CCCNC(=O)NCCO 2708a_100020643023_100000210304 [1,1,0,0,0,0|2,0,0]=4 3677 B9R0.18 CCCNC(=O)NCCO 273464a_100000210304_100020643023 [1,1,0,0,0,0|2,0,0]=4 3678 B9R0.18 CCCNC(=O)NCCO 273464a_100020643023_100000210304 [1,1,0,0,0,0|2,0,0]=4 3679 B9R0.18 CCCNC(=O)NCCO 512a_100020643023_100000210304 [1,1,0,0,0,0|2,0,0]=4 3680 B9R0.18 CCCNC(=O)NNCC 273464a_100020643023_100000756455 [1,1,0,0,0,0|2,0,0]=4 3681 B9R0.18 CCCNC(=O)NNCC 512a_100000756455_100020643023 [1,1,0,0,0,0|2,0,0]=4 3682 B9R0.18 CCCNC(=O)NNCC 512a_100020643023_100000756455 [1,1,0,0,0,0|2,0,0]=4 3683 B9R0.18 CCCNC(C)CCOC 270004a_100020643023_100000742357 [1,1,0,0,0,0|2,0,0]=4 3684 B9R0.18 CCCNC(C)CCSC 270004a_100020643023_100011217047 [1,1,0,0,0,0|2,0,0]=4 3685 B9R0.18 CCCNC(C)CSCC 270004a_100020643023_200011216171 [1,1,0,0,0,0|2,0,0]=4 3686 B9R0.18 CCCOC(=O)CNCC 2230a_100015525214_200011215008 [1,1,0,0,0,0|1,0,0]=3 3687 B9R0.18 CCCOC(=O)COCC 34a_100121572206_200011215008 [1,1,0,0,0,0|1,0,0]=3 3688 B9R0.18 CCCOC(=O)CSCC 62a_100000210202_200011215008 [1,1,0,0,0,0|1,0,0]=3 3689 B9R0.18 CCCOC(=O)CSCC 62a_200011215008_100000210202 [1,1,0,0,0,0|1,0,0]=3 3690 B9R0.18 CCCOC(=O)CSCF 62a_100015361967_200011215008 [1,1,0,0,0,0|2,0,0]=4 3691 B9R0.18 CCCOC(=O)CSCF 62a_200011215008_100015361967 [1,1,0,0,0,0|2,0,0]=4 3692 B9R0.18 CCCOC(=O)OCNC 34a_100102657272_200000139673 [1,1,0,0,0,0|2,0,0]=4 3693 B9R0.18 CCCOC(=O)OCNC 7a_106832991635_200000139673 [1,1,0,0,0,0|2,0,0]=4 3694 B9R0.18 CCCOC(=O)OCOC 34a_100138415774_200000139673 [1,1,0,0,0,0|2,0,0]=4 3695 B9R0.18 CCCOC(=O)OCSC 62a_200000210301_200000139673 [1,1,0,0,0,0|2,0,0]=4 3696 B9R0.18 CCCOC(=O)OCS[13CH3] 62a_200025704644_200000139673 [1,1,0,0,0,0|2,0,0]=4 3697 B9R0.18 CCCOC(C)CCCCl 34a_200000718107_100000210303 [1,1,0,0,0,0|2,0,0]=4 3698 B9R0.18 CCCOC(C)CCCCl 7a_200000718107_100000210303 [1,1,0,0,0,0|2,0,0]=4 3699 B9R0.18 CCCOC(C)CNCC 2230a_100015185124_100000210202 [1,1,0,0,0,0|2,0,0]=4 3700 B9R0.18 CCCOC(C)CNCC 34a_100015185124_100000210202 [1,1,0,0,0,0|2,0,0]=4 3701 B9R0.18 CCCOC(C)COCC 34a_100000718985_100000210303 [1,1,0,0,0,0|2,0,0]=4 3702 B9R0.18 CCCOC(C)COCC 7a_100000718985_100000210303 [1,1,0,0,0,0|2,0,0]=4 3703 B9R0.18 CCNCC(=O)NCCF 2230a_100000725713_100000210202 [1,1,0,0,0,0|2,0,0]=4 3704 B9R0.18 CCNCC(O)COCC 2230a_102515437182_100000210202 [1,1,0,0,0,0|1,0,1]=4 3705 B9R0.18 CCNCC(O)COCC 34a_102515437182_100000210202 [1,1,0,0,0,0|1,0,1]=4 3706 B9R0.18 CCNNC(=O)CCOC 22a_100000756455_100000749529 [1,1,0,0,0,0|2,0,0]=4 3707 B9R0.18 CCNNC(=O)CCSC 22a_100000756455_100000174002 [1,1,0,0,0,0|2,0,0]=4 3708 B9R0.18 CCNNC(=O)COCC 22a_100000756455_100000211967 [1,1,0,0,0,0|2,0,0]=4 3709 B9R0.18 CCNNC(=O)CSCC 22a_100000756455_100000230394 [1,1,0,0,0,0|2,0,0]=4 3710 B9R0.18 CCOCC(=O)CCC#N 1458a_100000211967_100011215226 [1,1,0,0,0,0|1,0,1]=4 3711 B9R0.18 CCOCC(=O)CCCF 1458a_100000211967_100011934791 [1,1,0,0,0,0|1,0,0]=3 3712 B9R0.18 CCOCC(=O)CCCO 1458a_100000211967_100011215043 [1,1,0,0,0,0|1,0,0]=3 3713 B9R0.18 CCOCC(=O)CCOC 1458a_100000211967_100000233755 [1,1,0,0,0,0|1,0,0]=3 3714 B9R0.18 CCOCC(=O)CCSC 1458a_100000211967_100000751147 [1,1,0,0,0,0|1,0,0]=3 3715 B9R0.18 CCOCC(=O)NCCF 11a_100000724931_100000211967 [1,1,0,0,0,0|2,0,0]=4 3716 B9R0.18 CCOCC(=O)NCCF 1626a_100000724931_100000211967 [1,1,0,0,0,0|2,0,0]=4 3717 B9R0.18 CCOCC(=O)NCCF 240690a_100000724931_100000211967 [1,1,0,0,0,0|2,0,0]=4 3718 B9R0.18 CCOCC(=O)NCCF 527a_100000724931_100000211967 [1,1,0,0,0,0|2,0,0]=4 3719 B9R0.18 CCOCC(=O)NCCO 240690a_100000210304_100000211967 [1,1,0,0,0,0|2,0,0]=4 3720 B9R0.18 CCOCC(=O)NCCO 527a_100000210304_100000211967 [1,1,0,0,0,0|2,0,0]=4 3721 B9R0.18 CCSCC(=O)CCC#N 1458a_100000230394_100011215226 [1,1,0,0,0,0|1,0,1]=4 3722 B9R0.18 CCSCC(=O)CCCF 1458a_100000230394_100011934791 [1,1,0,0,0,0|1,0,0]=3 3723 B9R0.18 CCSCC(=O)CCCO 1458a_100000230394_100011215043 [1,1,0,0,0,0|1,0,0]=3 3724 B9R0.18 CCSCC(=O)CCOC 1458a_100000230394_100000233755 [1,1,0,0,0,0|1,0,0]=3 3725 B9R0.18 CCSCC(=O)CCSC 1458a_100000230394_100000751147 [1,1,0,0,0,0|1,0,0]=3 3726 B9R0.18 CCSCC(=O)NCCF 11a_100000724931_100000230394 [1,1,0,0,0,0|2,0,0]=4 3727 B9R0.18 CCSCC(=O)NCCF 1626a_100000724931_100000230394 [1,1,0,0,0,0|2,0,0]=4 3728 B9R0.18 CCSCC(=O)NCCF 240690a_100000724931_100000230394 [1,1,0,0,0,0|2,0,0]=4 3729 B9R0.18 CCSCC(=O)NCCF 527a_100000724931_100000230394 [1,1,0,0,0,0|2,0,0]=4 3730 B9R0.18 CCSCC(=O)NCCO 240690a_100000210304_100000230394 [1,1,0,0,0,0|2,0,0]=4 3731 B9R0.18 CCSCC(=O)NCCO 527a_100000210304_100000230394 [1,1,0,0,0,0|2,0,0]=4 3732 B9R0.18 COCCC(=O)CCC#N 1458a_100000749529_100011215226 [1,1,0,0,0,0|1,0,1]=4 3733 B9R0.18 COCCC(=O)CCC#N 1458a_100011934036_100000233755 [1,1,0,0,0,0|1,0,1]=4 3734 B9R0.18 COCCC(=O)CCCF 1458a_100000749529_100011934791 [1,1,0,0,0,0|1,0,0]=3 3735 B9R0.18 COCCC(=O)CCCO 1458a_100000749529_100011215043 [1,1,0,0,0,0|1,0,0]=3 3736 B9R0.18 COCCC(=O)CCOC 1458a_100000749529_100000233755 [1,1,0,0,0,0|1,0,0]=3 3737 B9R0.18 COCCC(=O)CCSC 1458a_100000174002_100000233755 [1,1,0,0,0,0|1,0,0]=3 3738 B9R0.18 COCCC(=O)CCSC 1458a_100000749529_100000751147 [1,1,0,0,0,0|1,0,0]=3 3739 B9R0.18 COCCC(=O)NCCF 11a_100000724931_100000749529 [1,1,0,0,0,0|2,0,0]=4 3740 B9R0.18 COCCC(=O)NCCF 1626a_100000724931_100000749529 [1,1,0,0,0,0|2,0,0]=4 3741 B9R0.18 COCCC(=O)NCCF 240690a_100000724931_100000749529 [1,1,0,0,0,0|2,0,0]=4 3742 B9R0.18 COCCC(=O)NCCF 527a_100000724931_100000749529 [1,1,0,0,0,0|2,0,0]=4 3743 B9R0.18 COCCC(=O)NCCO 240690a_100000210304_100000749529 [1,1,0,0,0,0|2,0,0]=4 3744 B9R0.18 COCCC(=O)NCCO 527a_100000210304_100000749529 [1,1,0,0,0,0|2,0,0]=4 3745 B9R0.18 CSCCC(=O)CCC#N 1458a_100000174002_100011215226 [1,1,0,0,0,0|1,0,1]=4 3746 B9R0.18 CSCCC(=O)CCC#N 1458a_100011934036_100000751147 [1,1,0,0,0,0|1,0,1]=4 3747 B9R0.18 CSCCC(=O)CCCF 1458a_100000174002_100011934791 [1,1,0,0,0,0|1,0,0]=3 3748 B9R0.18 CSCCC(=O)CCCO 1458a_100000174002_100011215043 [1,1,0,0,0,0|1,0,0]=3 3749 B9R0.18 CSCCC(=O)CCSC 1458a_100000174002_100000751147 [1,1,0,0,0,0|1,0,0]=3 3750 B9R0.18 CSCCC(=O)NCCF 11a_100000724931_100000174002 [1,1,0,0,0,0|2,0,0]=4 3751 B9R0.18 CSCCC(=O)NCCF 1626a_100000724931_100000174002 [1,1,0,0,0,0|2,0,0]=4 3752 B9R0.18 CSCCC(=O)NCCF 240690a_100000724931_100000174002 [1,1,0,0,0,0|2,0,0]=4 3753 B9R0.18 CSCCC(=O)NCCF 527a_100000724931_100000174002 [1,1,0,0,0,0|2,0,0]=4 3754 B9R0.18 CSCCC(=O)NCCO 240690a_100000210304_100000174002 [1,1,0,0,0,0|2,0,0]=4 3755 B9R0.18 CSCCC(=O)NCCO 527a_100000210304_100000174002 [1,1,0,0,0,0|2,0,0]=4 3756 B9R0.18 N#CCCC(=O)CCCF 1458a_100011934036_100011934791 [1,1,0,0,0,0|1,0,1]=4 3757 B9R0.18 N#CCCC(=O)CCCO 1458a_100011934036_100011215043 [1,1,0,0,0,0|1,0,1]=4 3758 B9R0.34 C#CCC(=O)CC(C)CC 1458a_100000708755_100000184674 [1,1,0,0,0,0|0,0,2]=4 3759 B9R0.34 C#CCC(=O)CC(C)CC 1458a_100011220946_100000748023 [1,1,0,0,0,0|0,0,2]=4 3760 B9R0.34 C#CCC(=O)CC(O)CC 1458a_100011220946_100011218378 [1,1,0,0,0,0|0,0,2]=4 3761 B9R0.34 C#CCC(=O)CC(O)CC 1458a_100011667805_100000184674 [1,1,0,0,0,0|0,0,2]=4 3762 B9R0.34 C#CCC(=O)C[C@@H](C)CC 1458a_100011220946_100009816398 [1,1,0,0,0,0|0,0,2]=4 3763 B9R0.34 C=C(CCC)CC(=O)CC 1458a_100000138376_100000210202 [1,1,0,0,0,0|1,0,1]=4 3764 B9R0.34 C=CC(C)CC(=O)CCC 1458a_100011934298_100000210303 [1,1,0,0,0,0|0,0,2]=4 3765 B9R0.34 C=CCC(=O)CC(C)CC 1458a_100000210193_100000748023 [1,1,0,0,0,0|0,0,2]=4 3766 B9R0.34 C=CCC(=O)CC(C)CC 1458a_100000708755_100000210623 [1,1,0,0,0,0|0,0,2]=4 3767 B9R0.34 C=CCC(=O)CC(O)CC 1458a_100000210193_100011218378 [1,1,0,0,0,0|0,0,2]=4 3768 B9R0.34 C=CCC(=O)CC(O)CC 1458a_100011667805_100000210623 [1,1,0,0,0,0|0,0,2]=4 3769 B9R0.34 C=CCC(=O)C[C@@H](C)CC 1458a_100000210193_100009816398 [1,1,0,0,0,0|0,0,2]=4 3770 B9R0.34 CC#CC(=O)CC(C)CC 1458a_100000763181_100000748023 [1,1,0,0,0,0|0,0,2]=4 3771 B9R0.34 CC#CC(=O)CC(O)CC 1458a_100000763181_100011218378 [1,1,0,0,0,0|0,0,2]=4 3772 B9R0.34 CC#CC(=O)C[C@@H](C)CC 1458a_100000763181_100009816398 [1,1,0,0,0,0|0,0,2]=4 3773 B9R0.34 CC=CC(=O)CC(C)CC 1458a_100000210699_100000748023 [1,1,0,0,0,0|0,0,2]=4 3774 B9R0.34 CC=CC(=O)CC(O)CC 1458a_100000210699_100011218378 [1,1,0,0,0,0|0,0,2]=4 3775 B9R0.34 CC=CC(=O)C[C@@H](C)CC 1458a_100000210699_100009816398 [1,1,0,0,0,0|0,0,2]=4 3776 B9R0.34 CCC(=O)CC(=O)CCO 1458a_100011216618_100000747405 [1,1,0,0,0,0|1,0,1]=4 3777 B9R0.34 CCC(=O)CC(=O)COC 1458a_100000210968_100000747405 [1,1,0,0,0,0|1,0,1]=4 3778 B9R0.34 CCC(=O)CC(=O)CSC 1458a_100000184570_100000747405 [1,1,0,0,0,0|1,0,1]=4 3779 B9R0.34 CCC(C)CC(=O)CC#N 1458a_100000708755_100011214920 [1,1,0,0,0,0|1,0,1]=4 3780 B9R0.34 CCC(C)CC(=O)CC#N 1458a_100051588842_100000748023 [1,1,0,0,0,0|1,0,1]=4 3781 B9R0.34 CCC(C)CC(=O)CCF 1458a_100000708755_100011217306 [1,1,0,0,0,0|1,0,0]=3 3782 B9R0.34 CCC(C)CC(=O)CCO 1458a_100000708755_100000211926 [1,1,0,0,0,0|1,0,0]=3 3783 B9R0.34 CCC(C)CC(=O)CCO 1458a_100011216618_100000748023 [1,1,0,0,0,0|1,0,0]=3 3784 B9R0.34 CCC(C)CC(=O)COC 1458a_100000210968_100000748023 [1,1,0,0,0,0|1,0,0]=3 3785 B9R0.34 CCC(C)CC(=O)CSC 1458a_100000184570_100000748023 [1,1,0,0,0,0|1,0,0]=3 3786 B9R0.34 CCC(C)CC(=O)NNC 22a_100016993582_100000708755 [1,1,0,0,0,0|2,0,0]=4 3787 B9R0.34 CCC(C)NC(=O)CCO 240690a_100000209981_100011216618 [1,1,0,0,0,0|2,0,0]=4 3788 B9R0.34 CCC(C)NC(=O)CNC 2230a_106832991635_100000182745 [1,1,0,0,0,0|2,0,0]=4 3789 B9R0.34 CCC(C)NC(=O)CNC 34a_100102657272_100000182745 [1,1,0,0,0,0|2,0,0]=4 3790 B9R0.34 CCC(C)NC(=O)CNC 7a_106832991635_100000182745 [1,1,0,0,0,0|2,0,0]=4 3791 B9R0.34 CCC(C)NC(=O)COC 11a_100000209981_100000210968 [1,1,0,0,0,0|2,0,0]=4 3792 B9R0.34 CCC(C)NC(=O)COC 1626a_100000209981_100000210968 [1,1,0,0,0,0|2,0,0]=4 3793 B9R0.34 CCC(C)NC(=O)COC 240690a_100000209981_100000210968 [1,1,0,0,0,0|2,0,0]=4 3794 B9R0.34 CCC(C)NC(=O)COC 34a_100138415774_100000182745 [1,1,0,0,0,0|2,0,0]=4 3795 B9R0.34 CCC(C)NC(=O)COC 527a_100000209981_100000210968 [1,1,0,0,0,0|2,0,0]=4 3796 B9R0.34 CCC(C)NC(=O)CSC 11a_100000209981_100000184570 [1,1,0,0,0,0|2,0,0]=4 3797 B9R0.34 CCC(C)NC(=O)CSC 1626a_100000209981_100000184570 [1,1,0,0,0,0|2,0,0]=4 3798 B9R0.34 CCC(C)NC(=O)CSC 240690a_100000209981_100000184570 [1,1,0,0,0,0|2,0,0]=4 3799 B9R0.34 CCC(C)NC(=O)CSC 527a_100000209981_100000184570 [1,1,0,0,0,0|2,0,0]=4 3800 B9R0.34 CCC(C)NC(=O)CSC 62a_100000182745_200000210301 [1,1,0,0,0,0|2,0,0]=4 3801 B9R0.34 CCC(C)NC(=O)CSC 62a_200000210301_100000182745 [1,1,0,0,0,0|2,0,0]=4 3802 B9R0.34 CCC(C)NC(=O)CS[13CH3] 62a_100000182745_200025704644 [1,1,0,0,0,0|2,0,0]=4 3803 B9R0.34 CCC(C)NC(=O)CS[13CH3] 62a_200025704644_100000182745 [1,1,0,0,0,0|2,0,0]=4 3804 B9R0.34 CCC(O)CC(=O)CC#N 1458a_100011667805_100011214920 [1,1,0,0,0,0|1,0,1]=4 3805 B9R0.34 CCC(O)CC(=O)CC#N 1458a_100051588842_100011218378 [1,1,0,0,0,0|1,0,1]=4 3806 B9R0.34 CCC(O)CC(=O)CCF 1458a_100011667805_100011217306 [1,1,0,0,0,0|1,0,0]=3 3807 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011216618_100011218378 [1,1,0,0,0,0|1,0,0]=3 3808 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011667805_100000211926 [1,1,0,0,0,0|1,0,0]=3 3809 B9R0.34 CCC(O)CC(=O)COC 1458a_100000210968_100011218378 [1,1,0,0,0,0|1,0,0]=3 3810 B9R0.34 CCC(O)CC(=O)CSC 1458a_100000184570_100011218378 [1,1,0,0,0,0|1,0,0]=3 3811 B9R0.34 CCC(O)CC(=O)NNC 22a_100016993582_100011667805 [1,1,0,0,0,0|2,0,0]=4 3812 B9R0.34 CCCC(=O)C=C(C)CC 1458a_100020758463_100000210303 [1,1,0,0,0,0|0,0,2]=4 3813 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [1,1,0,0,0,0|0,0,1]=3 3814 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [1,1,0,0,0,0|0,0,1]=3 3815 B9R0.34 CCCC(=O)CC(=O)CO 1458a_100000210174_100000747444 [1,1,0,0,0,0|1,0,1]=4 3816 B9R0.34 CCCC(=O)CC(=O)NC 1458a_100000211992_100000183359 [1,1,0,0,0,0|1,0,1]=4 3817 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211351_100000210303 [1,1,0,0,0,0|1,0,1]=4 3818 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211992_100000747449 [1,1,0,0,0,0|1,0,1]=4 3819 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [1,1,0,0,0,0|0,0,0]=2 3820 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [1,1,0,0,0,0|0,0,0]=2 3821 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [1,1,0,0,0,0|0,0,0]=2 3822 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [1,1,0,0,0,0|0,0,0]=2 3823 B9R0.34 CCCC(=O)CN(C)CC 1458a_100116209913_100000210303 [1,1,0,0,0,0|1,0,0]=3 3824 B9R0.34 CCCC(=O)CN(C)CC 2230a_100000225621_100000747444 [1,1,0,0,0,0|1,0,0]=3 3825 B9R0.34 CCCC(=O)CN(C)CC 269982a_100000225621_100000747444 [1,1,0,0,0,0|1,0,0]=3 3826 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [1,1,0,0,0,0|0,0,0]=2 3827 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [1,1,0,0,0,0|1,0,0]=3 3828 B9R0.34 CCCC(=O)NC(C)CC 11a_100000209981_100000211992 [1,1,0,0,0,0|1,0,0]=3 3829 B9R0.34 CCCC(=O)NC(C)CC 1626a_100000209981_100000211992 [1,1,0,0,0,0|1,0,0]=3 3830 B9R0.34 CCCC(=O)NC(C)CC 240690a_100000209981_100000211992 [1,1,0,0,0,0|1,0,0]=3 3831 B9R0.34 CCCC(=O)NC(C)CC 527a_100000209981_100000211992 [1,1,0,0,0,0|1,0,0]=3 3832 B9R0.34 CCCC(=O)N[C@H](C)CF 11a_100102880703_100000211992 [1,1,0,0,0,0|2,0,0]=4 3833 B9R0.34 CCCC(=O)N[C@H](C)CF 1626a_100102880703_100000211992 [1,1,0,0,0,0|2,0,0]=4 3834 B9R0.34 CCCC(=O)N[C@H](C)CF 240690a_100102880703_100000211992 [1,1,0,0,0,0|2,0,0]=4 3835 B9R0.34 CCCC(=O)N[C@H](C)CF 527a_100102880703_100000211992 [1,1,0,0,0,0|2,0,0]=4 3836 B9R0.34 CCCC(=O)N[C@H](C)CO 240690a_100000737577_100000211992 [1,1,0,0,0,0|2,0,0]=4 3837 B9R0.34 CCCC(=O)N[C@H](C)CO 527a_100000737577_100000211992 [1,1,0,0,0,0|2,0,0]=4 3838 B9R0.34 CCCC(C)NC(C)CC 2230a_100000209981_100000766640 [1,1,0,0,0,0|2,0,0]=4 3839 B9R0.34 CCCC(C)NC(C)CC 2230a_100000741246_100000758301 [1,1,0,0,0,0|2,0,0]=4 3840 B9R0.34 CCCC(C)NC(C)CC 270004a_100000209981_100000211909 [1,1,0,0,0,0|2,0,0]=4 3841 B9R0.34 CCCC(C)OC(C)CC 34a_100000764384_100011215416 [1,1,0,0,0,0|2,0,0]=4 3842 B9R0.34 CCCC(C)OC(C)CC 7a_100000210228_100000766640 [1,1,0,0,0,0|2,0,0]=4 3843 B9R0.34 CCCC(C)OC(C)CC 7a_100000764384_100000758301 [1,1,0,0,0,0|2,0,0]=4 3844 B9R0.34 CCCC(C)SC(C)CC 62a_100000758301_100000766640 [1,1,0,0,0,0|2,0,0]=4 3845 B9R0.34 CCCC(C)SC(C)CC 62a_100000766640_100000758301 [1,1,0,0,0,0|2,0,0]=4 3846 B9R0.34 CCCN(C)CC(C)CC 2230a_100000747261_100000748023 [1,1,0,0,0,0|2,0,0]=4 3847 B9R0.34 CCCN(C)CC(C)CC 2230a_100000753921_100000210303 [1,1,0,0,0,0|2,0,0]=4 3848 B9R0.34 CCCN(C)CC(C)CC 269982a_100000747261_100000748023 [1,1,0,0,0,0|2,0,0]=4 3849 B9R0.34 CCCN(C)CC(C)CC 269982a_100000753921_100000210303 [1,1,0,0,0,0|2,0,0]=4 3850 B9R0.34 CCCN(C)CC(C)CC 270004a_100000747261_100000243153 [1,1,0,0,0,0|2,0,0]=4 3851 B9R0.34 CCCN(C)CC(O)CC 2230a_100000747261_100011218378 [1,1,0,0,0,0|2,0,0]=4 3852 B9R0.34 CCCN(C)CC(O)CC 269982a_100000747261_100011218378 [1,1,0,0,0,0|2,0,0]=4 3853 B9R0.34 CCCN(C)C[C@@H](C)CC 2230a_100000747261_100009816398 [1,1,0,0,0,0|2,0,0]=4 3854 B9R0.34 CCCN(C)C[C@@H](C)CC 269982a_100000747261_100009816398 [1,1,0,0,0,0|2,0,0]=4 3855 B9R0.34 CCCS(=O)CC(=O)CC 1458a_100011387404_100000210202 [1,1,0,0,0,0|1,0,1]=4 3856 B9R0.34 CCN(C)CC(=O)CCF 1458a_100116209913_100011217306 [1,1,0,0,0,0|2,0,0]=4 3857 B9R0.34 CCN(C)CC(=O)CCO 1458a_100116209913_100000211926 [1,1,0,0,0,0|2,0,0]=4 3858 B9R0.34 CCNC(=O)CC(=O)CC 1458a_100000210414_100000183381 [1,1,0,0,0,0|1,0,1]=4 3859 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [1,1,0,0,0,0|1,0,0]=3 3860 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [1,1,0,0,0,0|1,0,0]=3 3861 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [1,1,0,0,0,0|1,0,0]=3 3862 B9R0.34 CCNC(=O)CC(O)CC 240690a_100015525214_100011667805 [1,1,0,0,0,0|1,0,0]=3 3863 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000225621_100000183381 [1,1,0,0,0,0|2,0,0]=4 3864 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000741943_100000210202 [1,1,0,0,0,0|2,0,0]=4 3865 B9R0.34 CCNC(=O)CN(C)CC 240690a_100015525214_100116209913 [1,1,0,0,0,0|2,0,0]=4 3866 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000225621_100000183381 [1,1,0,0,0,0|2,0,0]=4 3867 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000741943_100000204670 [1,1,0,0,0,0|2,0,0]=4 3868 B9R0.34 CCNC(=O)CN(C)CC 527a_100015525214_100116209913 [1,1,0,0,0,0|2,0,0]=4 3869 B9R0.34 CCNC(=O)NC(C)CC 2708a_100000209981_100015525214 [1,1,0,0,0,0|2,0,0]=4 3870 B9R0.34 CCNC(=O)NC(C)CC 2708a_100015525214_100000209981 [1,1,0,0,0,0|2,0,0]=4 3871 B9R0.34 CCNC(=O)NC(C)CC 273464a_100000209981_100015525214 [1,1,0,0,0,0|2,0,0]=4 3872 B9R0.34 CCNC(=O)NC(C)CC 273464a_100015525214_100000209981 [1,1,0,0,0,0|2,0,0]=4 3873 B9R0.34 CCNC(=O)NC(C)CC 512a_100000209981_100015525214 [1,1,0,0,0,0|2,0,0]=4 3874 B9R0.34 CCNC(=O)NC(C)CC 512a_100015525214_100000209981 [1,1,0,0,0,0|2,0,0]=4 3875 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [1,1,0,0,0,0|1,0,1]=4 3876 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [1,1,0,0,0,0|1,0,1]=4 3877 B9R0.34 CCOC(=O)CC(C)NC 2230a_106832991635_100009817359 [1,1,0,0,0,0|2,0,0]=4 3878 B9R0.34 CCOC(=O)CC(C)NC 7a_106832991635_100009817359 [1,1,0,0,0,0|2,0,0]=4 3879 B9R0.34 CCOC(=O)CC(C)SC 62a_100009817359_200000210301 [1,1,0,0,0,0|2,0,0]=4 3880 B9R0.34 CCOC(=O)CC(C)SC 62a_200000210301_100009817359 [1,1,0,0,0,0|2,0,0]=4 3881 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_100009817359_200025704644 [1,1,0,0,0,0|2,0,0]=4 3882 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_200025704644_100009817359 [1,1,0,0,0,0|2,0,0]=4 3883 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220588_100000210202 [1,1,0,0,0,0|2,0,0]=4 3884 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220607_200000210301 [1,1,0,0,0,0|2,0,0]=4 3885 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000225621_100000188475 [1,1,0,0,0,0|2,0,0]=4 3886 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000220607_200000210301 [1,1,0,0,0,0|2,0,0]=4 3887 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000225621_100000188475 [1,1,0,0,0,0|2,0,0]=4 3888 B9R0.34 CCOC(=O)CN([13CH3])CC 2230a_100000220607_200025704644 [1,1,0,0,0,0|2,0,0]=4 3889 B9R0.34 CCOC(=O)CN([13CH3])CC 269982a_100000220607_200025704644 [1,1,0,0,0,0|2,0,0]=4 3890 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [1,1,0,0,0,0|2,0,0]=4 3891 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [1,1,0,0,0,0|2,0,0]=4 3892 B9R0.34 CC[C@H](C)CC(=O)CC#N 1458a_100051588842_100009816398 [1,1,0,0,0,0|1,0,1]=4 3893 B9R0.34 CC[C@H](C)CC(=O)CCO 1458a_100011216618_100009816398 [1,1,0,0,0,0|1,0,0]=3 3894 B9R0.34 CC[C@H](C)CC(=O)COC 1458a_100000210968_100009816398 [1,1,0,0,0,0|1,0,0]=3 3895 B9R0.34 CC[C@H](C)CC(=O)CSC 1458a_100000184570_100009816398 [1,1,0,0,0,0|1,0,0]=3 3896 B9R0.34 COCC(=O)C[C@@H](C)CO 1458a_100000210968_100000059175 [1,1,0,0,0,0|2,0,0]=4 3897 B9R0.34 CSCC(=O)C[C@@H](C)CO 1458a_100000184570_100000059175 [1,1,0,0,0,0|2,0,0]=4 3898 B9R0.34 C[C@@H](CO)CC(=O)CCO 1458a_100011216618_100000059175 [1,1,0,0,0,0|2,0,0]=4 3899 B9R0.40 C#CC(CCC)OCCC 34a_200011217317_100000210303 [1,1,0,0,0,0|2,0,0]=4 3900 B9R0.40 C#CC(CCC)OCCC 7a_200011217317_100000210303 [1,1,0,0,0,0|2,0,0]=4 3901 B9R0.40 C=CC(CCC)OCCC 34a_100011216692_100000210303 [1,1,0,0,0,0|2,0,0]=4 3902 B9R0.40 C=CC(CCC)OCCC 7a_100011216692_100000210303 [1,1,0,0,0,0|2,0,0]=4 3903 B9R0.40 CCCCC(CCC)NC 34a_100102657272_100000211913 [1,1,0,0,0,0|1,0,1]=4 3904 B9R0.40 CCCCC(CCC)NC 7a_106832991635_100000211913 [1,1,0,0,0,0|1,0,1]=4 3905 B9R0.40 CCCCC(CCC)OC 34a_100011215800_200000210301 [1,1,0,0,0,0|0,0,1]=3 3906 B9R0.40 CCCCC(CCC)OC 34a_100138415774_100000211913 [1,1,0,0,0,0|0,0,1]=3 3907 B9R0.40 CCCCC(CCC)OC 7a_100011215800_200000210301 [1,1,0,0,0,0|0,0,1]=3 3908 B9R0.40 CCCCC(CCC)O[13CH3] 34a_100011215800_200025704644 [1,1,0,0,0,0|0,0,1]=3 3909 B9R0.40 CCCCC(CCC)O[13CH3] 7a_100011215800_200025704644 [1,1,0,0,0,0|0,0,1]=3 3910 B9R0.40 CCCCC(CCC)SC 62a_100000211913_200000210301 [1,1,0,0,0,0|0,1,1]=4 3911 B9R0.40 CCCCC(CCC)SC 62a_200000210301_100000211913 [1,1,0,0,0,0|0,1,1]=4 3912 B9R0.40 CCCCC(CCC)S[13CH3] 62a_100000211913_200025704644 [1,1,0,0,0,0|0,1,1]=4 3913 B9R0.40 CCCCC(CCC)S[13CH3] 62a_200025704644_100000211913 [1,1,0,0,0,0|0,1,1]=4 3914 B9R0.40 CCCCN(CC)CCC 2230a_100000207695_100000210303 [1,1,0,0,0,0|2,0,0]=4 3915 B9R0.40 CCCCN(CC)CCC 2230a_100000226822_100000210211 [1,1,0,0,0,0|2,0,0]=4 3916 B9R0.40 CCCCN(CC)CCC 2230a_200000207744_100000210202 [1,1,0,0,0,0|2,0,0]=4 3917 B9R0.40 CCCCN(CC)CCC 269982a_100000207695_100000210303 [1,1,0,0,0,0|2,0,0]=4 3918 B9R0.40 CCCCN(CC)CCC 269982a_100000226822_100000210211 [1,1,0,0,0,0|2,0,0]=4 3919 B9R0.40 CCCCN(CC)CCC 269982a_200000207744_100000204670 [1,1,0,0,0,0|2,0,0]=4 3920 B9R0.40 CCCCN(CF)CCC 269982a_200000207744_100015361967 [1,1,0,0,0,0|2,0,0]=4 3921 B9R0.40 CCCC[C@@H](CO)NCC 2230a_100011934283_100000210202 [1,1,0,0,0,0|1,0,1]=4 3922 B9R0.40 CCCC[C@@H](CO)NCC 34a_100011934283_100000210202 [1,1,0,0,0,0|1,0,1]=4 3923 B9R0.40 CCCNC(CC)CCC 2230a_100000747048_100000210303 [1,1,0,0,0,0|2,0,0]=4 3924 B9R0.40 CCCNC(CC)CCC 270004a_100020643023_100000687865 [1,1,0,0,0,0|2,0,0]=4 3925 B9R0.40 CCCNC(CO)COC 2230a_100000724102_100000210303 [1,1,0,0,0,0|2,0,0]=4 3926 B9R0.40 CCCNC(CO)COC 34a_100000724102_100000210303 [1,1,0,0,0,0|2,0,0]=4 3927 B9R0.40 CCCN[C@H](CO)CCC 2230a_100000732646_100000210303 [1,1,0,0,0,0|1,0,0]=3 3928 B9R0.40 CCCN[C@H](CO)CCC 34a_100000732646_100000210303 [1,1,0,0,0,0|1,0,0]=3 3929 B9R0.40 CCCOC(C#N)CCC 34a_100000686963_100000210303 [1,1,0,0,0,0|2,0,0]=4 3930 B9R0.40 CCCOC(C#N)CCC 7a_100000686963_100000210303 [1,1,0,0,0,0|2,0,0]=4 3931 B9R0.40 CCCOC(CC)CCC 34a_100000687864_100000210303 [1,1,0,0,0,0|2,0,0]=4 3932 B9R0.40 CCCOC(CC)CCC 7a_100000687864_100000210303 [1,1,0,0,0,0|2,0,0]=4 3933 B9R0.40 CCCSC(CC)CCC 62a_100000210303_100011219200 [1,1,0,0,0,0|2,0,0]=4 3934 B9R0.40 CCCSC(CC)CCC 62a_100011219200_100000210303 [1,1,0,0,0,0|2,0,0]=4 3935 B9R0.40 CCC[C@@H](CO)NCCF 2230a_100000732646_100011217306 [1,1,0,0,0,0|2,0,0]=4 3936 B9R0.40 CCC[C@@H](CO)NCCF 34a_100000732646_100011217306 [1,1,0,0,0,0|2,0,0]=4 3937 B9R0.40 CCC[C@@H](CO)NCCO 2230a_100000732646_100000211926 [1,1,0,0,0,0|2,0,0]=4 3938 B9R0.40 CCC[C@@H](CO)NCCO 34a_100000732646_100000211926 [1,1,0,0,0,0|2,0,0]=4 3939 B9R0.40 CCC[C@@H](CO)NCOC 2230a_100000732646_100000766300 [1,1,0,0,0,0|2,0,0]=4 3940 B9R0.40 CCC[C@@H](CO)NCSC 2230a_100000732646_100011218213 [1,1,0,0,0,0|2,0,0]=4 3941 B9R0.40 CCC[C@@H](CO)NCSC 34a_100000732646_100011218213 [1,1,0,0,0,0|2,0,0]=4 3942 B9R0.48 C#CCC(=O)CCC(C)C 1458a_100000181311_100000184674 [1,1,0,0,0,0|0,0,2]=4 3943 B9R0.48 C#CCC(=O)CCC(C)C 1458a_100011220946_100000210312 [1,1,0,0,0,0|0,0,2]=4 3944 B9R0.48 C#CCC(=O)CCC(C)O 1458a_100011220946_100012276601 [1,1,0,0,0,0|0,0,2]=4 3945 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [1,1,0,0,0,0|0,0,1]=3 3946 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [1,1,0,0,0,0|0,0,1]=3 3947 B9R0.48 C=C(C)CCC(=O)CCF 1458a_200000688413_100011217306 [1,1,0,0,0,0|1,0,1]=4 3948 B9R0.48 C=C(C)CCC(=O)CCO 1458a_100011216618_100000730704 [1,1,0,0,0,0|1,0,1]=4 3949 B9R0.48 C=C(C)CCC(=O)CCO 1458a_200000688413_100000211926 [1,1,0,0,0,0|1,0,1]=4 3950 B9R0.48 C=C(C)CCC(=O)COC 1458a_100000210968_100000730704 [1,1,0,0,0,0|1,0,1]=4 3951 B9R0.48 C=C(C)CCC(=O)CSC 1458a_100000184570_100000730704 [1,1,0,0,0,0|1,0,1]=4 3952 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [1,1,0,0,0,0|1,0,1]=4 3953 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [1,1,0,0,0,0|1,0,1]=4 3954 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [1,1,0,0,0,0|1,0,1]=4 3955 B9R0.48 C=C(C)CNC(=O)CCC 11a_100000765925_100000211992 [1,1,0,0,0,0|1,0,1]=4 3956 B9R0.48 C=C(C)CNC(=O)CCC 1626a_100000765925_100000211992 [1,1,0,0,0,0|1,0,1]=4 3957 B9R0.48 C=C(C)CNC(=O)CCC 240690a_100000765925_100000211992 [1,1,0,0,0,0|1,0,1]=4 3958 B9R0.48 C=C(C)CNC(=O)CCC 527a_100000765925_100000211992 [1,1,0,0,0,0|1,0,1]=4 3959 B9R0.48 C=CCC(=O)CCC(C)C 1458a_100000181311_100000210623 [1,1,0,0,0,0|0,0,2]=4 3960 B9R0.48 C=CCC(=O)CCC(C)C 1458a_100000210193_100000210312 [1,1,0,0,0,0|0,0,2]=4 3961 B9R0.48 C=CCC(=O)CCC(C)O 1458a_100000210193_100012276601 [1,1,0,0,0,0|0,0,2]=4 3962 B9R0.48 CC#CC(=O)CCC(C)C 1458a_100000763181_100000210312 [1,1,0,0,0,0|0,0,2]=4 3963 B9R0.48 CC#CC(=O)CCC(C)O 1458a_100000763181_100012276601 [1,1,0,0,0,0|0,0,2]=4 3964 B9R0.48 CC(C)CCC(=O)CC#N 1458a_100000181311_100011214920 [1,1,0,0,0,0|1,0,1]=4 3965 B9R0.48 CC(C)CCC(=O)CC#N 1458a_100051588842_100000210312 [1,1,0,0,0,0|1,0,1]=4 3966 B9R0.48 CC(C)CCC(=O)CCF 1458a_100000181311_100011217306 [1,1,0,0,0,0|1,0,0]=3 3967 B9R0.48 CC(C)CCC(=O)CCO 1458a_100000181311_100000211926 [1,1,0,0,0,0|1,0,0]=3 3968 B9R0.48 CC(C)CCC(=O)CCO 1458a_100011216618_100000210312 [1,1,0,0,0,0|1,0,0]=3 3969 B9R0.48 CC(C)CNC(=O)CCO 240690a_100000210953_100011216618 [1,1,0,0,0,0|2,0,0]=4 3970 B9R0.48 CC(C)CNC(=O)CS[13CH3] 62a_100000183291_200025704644 [1,1,0,0,0,0|2,0,0]=4 3971 B9R0.48 CC(C)CNC(=O)CS[13CH3] 62a_200025704644_100000183291 [1,1,0,0,0,0|2,0,0]=4 3972 B9R0.48 CC(C)OCC(=O)CCF 1458a_100000745533_100011217306 [1,1,0,0,0,0|2,0,0]=4 3973 B9R0.48 CC(C)OCC(=O)CCO 1458a_100000745533_100000211926 [1,1,0,0,0,0|2,0,0]=4 3974 B9R0.48 CC(C)SCC(=O)CCF 1458a_100000241585_100011217306 [1,1,0,0,0,0|2,0,0]=4 3975 B9R0.48 CC(C)SCC(=O)CCO 1458a_100000241585_100000211926 [1,1,0,0,0,0|2,0,0]=4 3976 B9R0.48 CC(O)CCC(=O)CC#N 1458a_100051588842_100012276601 [1,1,0,0,0,0|1,0,1]=4 3977 B9R0.48 CC(O)CCC(=O)CCO 1458a_100011216618_100012276601 [1,1,0,0,0,0|1,0,0]=3 3978 B9R0.48 CC(O)CNC(=O)CCO 240690a_100000210904_100011216618 [1,1,0,0,0,0|2,0,0]=4 3979 B9R0.48 CC=CC(=O)CCC(C)C 1458a_100000210699_100000210312 [1,1,0,0,0,0|0,0,2]=4 3980 B9R0.48 CC=CC(=O)CCC(C)O 1458a_100000210699_100012276601 [1,1,0,0,0,0|0,0,2]=4 3981 B9R0.48 CCCC(=O)C=CC(C)C 1458a_100016268746_100000210303 [1,1,0,0,0,0|0,0,2]=4 3982 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100000211992_100000761012 [1,1,0,0,0,0|0,0,2]=4 3983 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100011220947_100000210303 [1,1,0,0,0,0|0,0,2]=4 3984 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [1,1,0,0,0,0|1,0,1]=4 3985 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [1,1,0,0,0,0|0,0,0]=2 3986 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [1,1,0,0,0,0|0,0,0]=2 3987 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [1,1,0,0,0,0|0,0,0]=2 3988 B9R0.48 CCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210303 [1,1,0,0,0,0|2,0,0]=4 3989 B9R0.48 CCCC(=O)CC[S+](C)C 1458a_100009452791_100000210303 [1,1,0,0,0,0|1,0,0]=3 3990 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [1,1,0,0,0,0|1,0,1]=4 3991 B9R0.48 CCCC(=O)CNC(C)C 2230a_100138425928_100000747444 [1,1,0,0,0,0|1,0,0]=3 3992 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [1,1,0,0,0,0|1,0,1]=4 3993 B9R0.48 CCCC(=O)COC(C)C 1458a_100000745533_100000210303 [1,1,0,0,0,0|1,0,0]=3 3994 B9R0.48 CCCC(=O)COC(F)F 1458a_200000719455_100000210303 [1,1,0,0,0,0|2,0,0]=4 3995 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [1,1,0,0,0,0|1,0,1]=4 3996 B9R0.48 CCCC(=O)CSC(C)C 1458a_100000241585_100000210303 [1,1,0,0,0,0|1,0,0]=3 3997 B9R0.48 CCCC(=O)CSC(C)C 62a_100000210206_100000747444 [1,1,0,0,0,0|1,0,0]=3 3998 B9R0.48 CCCC(=O)CSC(C)C 62a_100000747444_100000210206 [1,1,0,0,0,0|1,0,0]=3 3999 B9R0.48 CCCC(=O)CSC(F)F 1458a_114828291038_100000210303 [1,1,0,0,0,0|2,0,0]=4 4000 B9R0.48 CCCC(=O)NCC(C)C 11a_100000210953_100000211992 [1,1,0,0,0,0|1,0,0]=3 4001 B9R0.48 CCCC(=O)NCC(C)C 1626a_100000210953_100000211992 [1,1,0,0,0,0|1,0,0]=3 4002 B9R0.48 CCCC(=O)NCC(C)C 240690a_100000210953_100000211992 [1,1,0,0,0,0|1,0,0]=3 4003 B9R0.48 CCCC(=O)NCC(C)C 527a_100000210953_100000211992 [1,1,0,0,0,0|1,0,0]=3 4004 B9R0.48 CCCC(=O)NCC(C)O 11a_100000210904_100000211992 [1,1,0,0,0,0|1,0,0]=3 4005 B9R0.48 CCCC(=O)NCC(C)O 240690a_100000210904_100000211992 [1,1,0,0,0,0|1,0,0]=3 4006 B9R0.48 CCCC(=O)NCC(C)O 527a_100000210904_100000211992 [1,1,0,0,0,0|1,0,0]=3 4007 B9R0.48 CCCC(=O)NCC(F)F 11a_100000765723_100000211992 [1,1,0,0,0,0|2,0,0]=4 4008 B9R0.48 CCCC(=O)NCC(F)F 1626a_100000765723_100000211992 [1,1,0,0,0,0|2,0,0]=4 4009 B9R0.48 CCCC(=O)NCC(F)F 240690a_100000765723_100000211992 [1,1,0,0,0,0|2,0,0]=4 4010 B9R0.48 CCCC(=O)NCC(F)F 527a_100000765723_100000211992 [1,1,0,0,0,0|2,0,0]=4 4011 B9R0.48 CCCC(=O)NNC(C)C 22a_100000741168_100000211992 [1,1,0,0,0,0|2,0,0]=4 4012 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [1,1,0,0,0,0|1,0,1]=4 4013 B9R0.48 CCCC(=O)OCN(C)C 2230a_100102631434_100000034017 [1,1,0,0,0,0|2,0,0]=4 4014 B9R0.48 CCCC(=O)OCN(C)C 269982a_100102631434_100000034017 [1,1,0,0,0,0|2,0,0]=4 4015 B9R0.48 CCCC(C)NCC(C)C 2230a_100000210953_100000766640 [1,1,0,0,0,0|2,0,0]=4 4016 B9R0.48 CCCC(C)NCC(C)C 2230a_100000741246_100000210760 [1,1,0,0,0,0|2,0,0]=4 4017 B9R0.48 CCCC(C)NCC(C)C 270004a_100000210953_100000211909 [1,1,0,0,0,0|2,0,0]=4 4018 B9R0.48 CCCC(C)NCC(C)C 270004a_100000741246_100000210432 [1,1,0,0,0,0|2,0,0]=4 4019 B9R0.48 CCCC(C)NCC(C)C 34a_100000210953_100000766640 [1,1,0,0,0,0|2,0,0]=4 4020 B9R0.48 CCCC(C)NCC(C)O 2230a_100000210904_100000766640 [1,1,0,0,0,0|2,0,0]=4 4021 B9R0.48 CCCC(C)NCC(C)O 2230a_100000741246_100011218427 [1,1,0,0,0,0|2,0,0]=4 4022 B9R0.48 CCCC(C)NCC(C)O 270004a_100000210904_100000211909 [1,1,0,0,0,0|2,0,0]=4 4023 B9R0.48 CCCC(C)NCC(C)O 34a_100000210904_100000766640 [1,1,0,0,0,0|2,0,0]=4 4024 B9R0.48 CCCC(C)NC[C@@H](C)O 2230a_100000741246_100009817552 [1,1,0,0,0,0|2,0,0]=4 4025 B9R0.48 CCCC(C)OCC(C)Br 34a_100012180447_100000766640 [1,1,0,0,0,0|2,0,0]=4 4026 B9R0.48 CCCC(C)OCC(C)C 34a_100000210257_100000766640 [1,1,0,0,0,0|2,0,0]=4 4027 B9R0.48 CCCC(C)OCC(C)C 34a_100000764384_100000210624 [1,1,0,0,0,0|2,0,0]=4 4028 B9R0.48 CCCC(C)OCC(C)C 7a_100000764384_100000210760 [1,1,0,0,0,0|2,0,0]=4 4029 B9R0.48 CCCC(C)OCC(C)F 34a_100015925927_100000766640 [1,1,0,0,0,0|2,0,0]=4 4030 B9R0.48 CCCC(C)OCC(C)O 34a_100000764384_100011218427 [1,1,0,0,0,0|2,0,0]=4 4031 B9R0.48 CCCC(C)OCC(C)O 7a_100000764384_100011218427 [1,1,0,0,0,0|2,0,0]=4 4032 B9R0.48 CCCC(C)OC[C@@H](C)Cl 34a_100016084084_100000766640 [1,1,0,0,0,0|2,0,0]=4 4033 B9R0.48 CCCC(C)OC[C@@H](C)N 34a_100000737577_100000766640 [1,1,0,0,0,0|2,0,0]=4 4034 B9R0.48 CCCC(C)OC[C@@H](C)O 34a_100000764384_100009817552 [1,1,0,0,0,0|2,0,0]=4 4035 B9R0.48 CCCC(C)OC[C@@H](C)O 7a_100000764384_100009817552 [1,1,0,0,0,0|2,0,0]=4 4036 B9R0.48 CCCC(C)SCC(C)C 62a_100000210624_100000766640 [1,1,0,0,0,0|2,0,0]=4 4037 B9R0.48 CCCC(C)SCC(C)C 62a_100000766640_100000210760 [1,1,0,0,0,0|2,0,0]=4 4038 B9R0.48 CCCC(C)SCC(C)O 62a_100000766640_100011218427 [1,1,0,0,0,0|2,0,0]=4 4039 B9R0.48 CCCC(C)SCC(C)O 62a_100011218427_100000766640 [1,1,0,0,0,0|2,0,0]=4 4040 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100000766640_100009817552 [1,1,0,0,0,0|2,0,0]=4 4041 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100009817552_100000766640 [1,1,0,0,0,0|2,0,0]=4 4042 B9R0.48 CCCN(C)CCC(C)C 2230a_100000742789_100000210303 [1,1,0,0,0,0|2,0,0]=4 4043 B9R0.48 CCCN(C)CCC(C)C 2230a_100000747261_100000210312 [1,1,0,0,0,0|2,0,0]=4 4044 B9R0.48 CCCN(C)CCC(C)C 269982a_100000742789_100000210303 [1,1,0,0,0,0|2,0,0]=4 4045 B9R0.48 CCCN(C)CCC(C)C 269982a_100000747261_100000210312 [1,1,0,0,0,0|2,0,0]=4 4046 B9R0.48 CCCN(C)CCC(C)O 2230a_100000747261_100012276601 [1,1,0,0,0,0|2,0,0]=4 4047 B9R0.48 CCCN(C)CCC(C)O 269982a_100000747261_100012276601 [1,1,0,0,0,0|2,0,0]=4 4048 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [1,1,0,0,0,0|1,0,1]=4 4049 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [1,1,0,0,0,0|1,0,1]=4 4050 B9R0.48 CCNC(=O)CCC(C)C 11a_100015525214_100000181311 [1,1,0,0,0,0|1,0,0]=3 4051 B9R0.48 CCNC(=O)CCC(C)C 240690a_100015525214_100000181311 [1,1,0,0,0,0|1,0,0]=3 4052 B9R0.48 CCNC(=O)CCC(C)C 527a_100015525214_100000181311 [1,1,0,0,0,0|1,0,0]=3 4053 B9R0.48 CCNC(=O)CCN(C)C 11a_100015525214_100000689311 [1,1,0,0,0,0|2,0,0]=4 4054 B9R0.48 CCNC(=O)CCN(C)C 2230a_100102631434_100000737597 [1,1,0,0,0,0|2,0,0]=4 4055 B9R0.48 CCNC(=O)CCN(C)C 240690a_100015525214_100000689311 [1,1,0,0,0,0|2,0,0]=4 4056 B9R0.48 CCNC(=O)CCN(C)C 269982a_100102631434_100000737597 [1,1,0,0,0,0|2,0,0]=4 4057 B9R0.48 CCNC(=O)CCN(C)C 527a_100015525214_100000689311 [1,1,0,0,0,0|2,0,0]=4 4058 B9R0.48 CCNC(=O)CC[S+](C)C 11a_100015525214_100009452791 [1,1,0,0,0,0|2,0,0]=4 4059 B9R0.48 CCNC(=O)CC[S+](C)C 240690a_100015525214_100009452791 [1,1,0,0,0,0|2,0,0]=4 4060 B9R0.48 CCNC(=O)CNC(C)C 2230a_100016988866_100000210206 [1,1,0,0,0,0|2,0,0]=4 4061 B9R0.48 CCNC(=O)CNC(C)C 2230a_100138425928_100000183381 [1,1,0,0,0,0|2,0,0]=4 4062 B9R0.48 CCNC(=O)CNC(C)C 34a_100138425928_100000183381 [1,1,0,0,0,0|2,0,0]=4 4063 B9R0.48 CCNC(=O)COC(C)C 11a_100015525214_100000745533 [1,1,0,0,0,0|2,0,0]=4 4064 B9R0.48 CCNC(=O)COC(C)C 240690a_100015525214_100000745533 [1,1,0,0,0,0|2,0,0]=4 4065 B9R0.48 CCNC(=O)COC(C)C 34a_100000212225_100000183381 [1,1,0,0,0,0|2,0,0]=4 4066 B9R0.48 CCNC(=O)COC(C)C 527a_100015525214_100000745533 [1,1,0,0,0,0|2,0,0]=4 4067 B9R0.48 CCNC(=O)CSC(C)C 11a_100015525214_100000241585 [1,1,0,0,0,0|2,0,0]=4 4068 B9R0.48 CCNC(=O)CSC(C)C 240690a_100015525214_100000241585 [1,1,0,0,0,0|2,0,0]=4 4069 B9R0.48 CCNC(=O)CSC(C)C 527a_100015525214_100000241585 [1,1,0,0,0,0|2,0,0]=4 4070 B9R0.48 CCNC(=O)CSC(C)C 62a_100000183381_100000210206 [1,1,0,0,0,0|2,0,0]=4 4071 B9R0.48 CCNC(=O)CSC(C)C 62a_100000210206_100000183381 [1,1,0,0,0,0|2,0,0]=4 4072 B9R0.48 CCNC(=O)NCC(C)C 2708a_100000210953_100015525214 [1,1,0,0,0,0|2,0,0]=4 4073 B9R0.48 CCNC(=O)NCC(C)C 2708a_100015525214_100000210953 [1,1,0,0,0,0|2,0,0]=4 4074 B9R0.48 CCNC(=O)NCC(C)C 273464a_100000210953_100015525214 [1,1,0,0,0,0|2,0,0]=4 4075 B9R0.48 CCNC(=O)NCC(C)C 273464a_100015525214_100000210953 [1,1,0,0,0,0|2,0,0]=4 4076 B9R0.48 CCNC(=O)NCC(C)C 512a_100000210953_100015525214 [1,1,0,0,0,0|2,0,0]=4 4077 B9R0.48 CCNC(=O)NCC(C)C 512a_100015525214_100000210953 [1,1,0,0,0,0|2,0,0]=4 4078 B9R0.48 CCNC(=O)NCC(C)O 2708a_100015525214_100000210904 [1,1,0,0,0,0|2,0,0]=4 4079 B9R0.48 CCNC(=O)NCC(C)O 273464a_100000210904_100015525214 [1,1,0,0,0,0|2,0,0]=4 4080 B9R0.48 CCNC(=O)NCC(C)O 273464a_100015525214_100000210904 [1,1,0,0,0,0|2,0,0]=4 4081 B9R0.48 CCNC(=O)NCC(C)O 512a_100000210904_100015525214 [1,1,0,0,0,0|2,0,0]=4 4082 B9R0.48 CCNC(=O)NCC(C)O 512a_100015525214_100000210904 [1,1,0,0,0,0|2,0,0]=4 4083 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [1,1,0,0,0,0|1,0,1]=4 4084 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [1,1,0,0,0,0|1,0,1]=4 4085 B9R0.48 CCOC(=O)CCN(C)C 2230a_100000745921_200000210301 [1,1,0,0,0,0|2,0,0]=4 4086 B9R0.48 CCOC(=O)CCN(C)C 2230a_100102631434_100011206558 [1,1,0,0,0,0|2,0,0]=4 4087 B9R0.48 CCOC(=O)CCN(C)C 269982a_100000745921_200000210301 [1,1,0,0,0,0|2,0,0]=4 4088 B9R0.48 CCOC(=O)CCN(C)C 269982a_100102631434_100011206558 [1,1,0,0,0,0|2,0,0]=4 4089 B9R0.48 CCOC(=O)CCN(C)[13CH3] 2230a_100000745921_200025704644 [1,1,0,0,0,0|2,0,0]=4 4090 B9R0.48 CCOC(=O)CCN(C)[13CH3] 269982a_100000745921_200025704644 [1,1,0,0,0,0|2,0,0]=4 4091 B9R0.48 CCOC(=O)CNC(C)C 2230a_100138425928_100000188475 [1,1,0,0,0,0|2,0,0]=4 4092 B9R0.48 CCOC(=O)CNC(C)C 34a_100138425928_100000188475 [1,1,0,0,0,0|2,0,0]=4 4093 B9R0.48 CCOC(=O)COC(C)C 34a_100000212225_100000188475 [1,1,0,0,0,0|2,0,0]=4 4094 B9R0.48 CCOC(=O)CSC(C)C 62a_100000188475_100000210206 [1,1,0,0,0,0|2,0,0]=4 4095 B9R0.48 CCOC(=O)CSC(C)C 62a_100000210206_100000188475 [1,1,0,0,0,0|2,0,0]=4 4096 B9R0.48 CNCC(=O)NCC(C)C 2230a_106832991635_100000183291 [1,1,0,0,0,0|2,0,0]=4 4097 B9R0.48 CNCC(=O)NCC(C)C 34a_100102657272_100000183291 [1,1,0,0,0,0|2,0,0]=4 4098 B9R0.48 CNCC(=O)NCC(C)C 7a_106832991635_100000183291 [1,1,0,0,0,0|2,0,0]=4 4099 B9R0.48 CNNC(=O)CCC(C)C 22a_100016993582_100000181311 [1,1,0,0,0,0|2,0,0]=4 4100 B9R0.48 COCC(=O)CCC(C)C 1458a_100000210968_100000210312 [1,1,0,0,0,0|1,0,0]=3 4101 B9R0.48 COCC(=O)CCC(C)O 1458a_100000210968_100012276601 [1,1,0,0,0,0|1,0,0]=3 4102 B9R0.48 COCC(=O)NCC(C)C 11a_100000210953_100000210968 [1,1,0,0,0,0|2,0,0]=4 4103 B9R0.48 COCC(=O)NCC(C)C 1626a_100000210953_100000210968 [1,1,0,0,0,0|2,0,0]=4 4104 B9R0.48 COCC(=O)NCC(C)C 240690a_100000210953_100000210968 [1,1,0,0,0,0|2,0,0]=4 4105 B9R0.48 COCC(=O)NCC(C)C 34a_100138415774_100000183291 [1,1,0,0,0,0|2,0,0]=4 4106 B9R0.48 COCC(=O)NCC(C)C 527a_100000210953_100000210968 [1,1,0,0,0,0|2,0,0]=4 4107 B9R0.48 COCC(=O)NCC(C)O 11a_100000210904_100000210968 [1,1,0,0,0,0|2,0,0]=4 4108 B9R0.48 COCC(=O)NCC(C)O 240690a_100000210904_100000210968 [1,1,0,0,0,0|2,0,0]=4 4109 B9R0.48 COCC(=O)NCC(C)O 527a_100000210904_100000210968 [1,1,0,0,0,0|2,0,0]=4 4110 B9R0.48 CSCC(=O)CCC(C)C 1458a_100000184570_100000210312 [1,1,0,0,0,0|1,0,0]=3 4111 B9R0.48 CSCC(=O)CCC(C)O 1458a_100000184570_100012276601 [1,1,0,0,0,0|1,0,0]=3 4112 B9R0.48 CSCC(=O)NCC(C)C 11a_100000210953_100000184570 [1,1,0,0,0,0|2,0,0]=4 4113 B9R0.48 CSCC(=O)NCC(C)C 1626a_100000210953_100000184570 [1,1,0,0,0,0|2,0,0]=4 4114 B9R0.48 CSCC(=O)NCC(C)C 240690a_100000210953_100000184570 [1,1,0,0,0,0|2,0,0]=4 4115 B9R0.48 CSCC(=O)NCC(C)C 527a_100000210953_100000184570 [1,1,0,0,0,0|2,0,0]=4 4116 B9R0.48 CSCC(=O)NCC(C)C 62a_100000183291_200000210301 [1,1,0,0,0,0|2,0,0]=4 4117 B9R0.48 CSCC(=O)NCC(C)C 62a_200000210301_100000183291 [1,1,0,0,0,0|2,0,0]=4 4118 B9R0.48 CSCC(=O)NCC(C)O 11a_100000210904_100000184570 [1,1,0,0,0,0|2,0,0]=4 4119 B9R0.48 CSCC(=O)NCC(C)O 240690a_100000210904_100000184570 [1,1,0,0,0,0|2,0,0]=4 4120 B9R0.48 CSCC(=O)NCC(C)O 527a_100000210904_100000184570 [1,1,0,0,0,0|2,0,0]=4 4121 B9R0.48 C[S+](C)CCC(=O)CCF 1458a_100009452791_100011217306 [1,1,0,0,0,0|2,0,0]=4 4122 B9R0.48 C[S+](C)CCC(=O)CCO 1458a_100009452791_100000211926 [1,1,0,0,0,0|2,0,0]=4 4123 B9R0.66 CCCCS(=O)(=O)NCC 270084a_100015525214_100000212082 [1,1,0,0,0,0|2,0,0]=4 4124 B9R0.66 CCCCS(=O)(=O)NCC 274078a_100015525214_100000212082 [1,1,0,0,0,0|2,0,0]=4 4125 B9R0.66 CCCCS(=O)(=O)NCC 40a_100015525214_100000054263 [1,1,0,0,0,0|2,0,0]=4 4126 B9R0.66 CCCNS(=O)(=O)CCC 270084a_100020643023_100000211391 [1,1,0,0,0,0|2,0,0]=4 4127 B9R0.66 CCCNS(=O)(=O)CCC 274078a_100020643023_100000211391 [1,1,0,0,0,0|2,0,0]=4 4128 B9R0.66 CCCNS(=O)(=O)CCC 40a_100020643023_100000054278 [1,1,0,0,0,0|2,0,0]=4 4129 B9R0.66 CCCOC(C)(C)CCC 7a_100000748436_100000210303 [1,1,0,0,0,0|2,0,0]=4 4130 B9R0.6 C#CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000184674 [1,1,0,0,0,0|0,0,2]=4 4131 B9R0.6 C=C(C)C(=O)C(C)CCC 1458a_100000185857_100000766640 [1,1,0,0,0,0|1,0,1]=4 4132 B9R0.6 C=CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210623 [1,1,0,0,0,0|0,0,2]=4 4133 B9R0.6 CC(C)C(=O)C(C)CCO 1458a_100000210198_100009893172 [1,1,0,0,0,0|2,0,0]=4 4134 B9R0.6 CC(C)C(C)C(=O)CCF 1458a_100000755409_100011217306 [1,1,0,0,0,0|2,0,0]=4 4135 B9R0.6 CC(C)C(C)C(=O)CCO 1458a_100000755409_100000211926 [1,1,0,0,0,0|2,0,0]=4 4136 B9R0.6 CC(C)[C@@H](O)C(=O)CC#N 1458a_100000691806_100011214920 [1,1,0,0,0,0|1,0,1]=4 4137 B9R0.6 CC(C)[C@@H](O)C(=O)CCF 1458a_100000691806_100011217306 [1,1,0,0,0,0|1,0,0]=3 4138 B9R0.6 CC(C)[C@@H](O)C(=O)CCO 1458a_100000691806_100000211926 [1,1,0,0,0,0|1,0,0]=3 4139 B9R0.6 CC(CCO)C(=O)[C@@H](C)O 1458a_100000717761_100009893172 [1,1,0,0,0,0|2,0,0]=4 4140 B9R0.6 CC(CCO)C(=O)[C@H](C)O 1458a_217856618621_100009893172 [1,1,0,0,0,0|2,0,0]=4 4141 B9R0.6 CC(F)C(=O)C(C)CCO 1458a_100000062450_100009893172 [1,1,0,0,0,0|2,0,0]=4 4142 B9R0.6 CCCC(=O)C(C)C(=O)C 1458a_100000211992_100000179758 [1,1,0,0,0,0|1,0,1]=4 4143 B9R0.6 CCCC(=O)C(C)C(C)C 1458a_100000755409_100000210303 [1,1,0,0,0,0|1,0,0]=3 4144 B9R0.6 CCCC(=O)N(C)C(C)C 11a_200000211004_100000211992 [1,1,0,0,0,0|2,0,0]=4 4145 B9R0.6 CCCC(=O)N(C)C(C)C 1626a_200000211004_100000211992 [1,1,0,0,0,0|2,0,0]=4 4146 B9R0.6 CCCC(=O)N(C)C(C)C 240690a_200000211004_100000211992 [1,1,0,0,0,0|2,0,0]=4 4147 B9R0.6 CCCC(=O)N(C)C(C)C 527a_200000211004_100000211992 [1,1,0,0,0,0|2,0,0]=4 4148 B9R0.6 CCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210303 [1,1,0,0,0,0|2,0,0]=4 4149 B9R0.6 CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210303 [1,1,0,0,0,0|0,0,0]=2 4150 B9R0.6 CCCC(C)C(=O)C(C)C 1458a_100000210198_100000766640 [1,1,0,0,0,0|1,0,0]=3 4151 B9R0.6 CCCC(C)C(=O)C(C)C 1458a_100000210906_100000210206 [1,1,0,0,0,0|1,0,0]=3 4152 B9R0.6 CCCC(C)C(=O)C(C)F 1458a_100000062450_100000766640 [1,1,0,0,0,0|1,0,0]=3 4153 B9R0.6 CCCC(C)C(=O)C(O)O 1458a_100000233687_100000766640 [1,1,0,0,0,0|2,0,0]=4 4154 B9R0.6 CCCC(C)C(=O)N(C)C 11a_100102631434_100000210906 [1,1,0,0,0,0|2,0,0]=4 4155 B9R0.6 CCCC(C)C(=O)N(C)C 1626a_100102631434_100000210906 [1,1,0,0,0,0|2,0,0]=4 4156 B9R0.6 CCCC(C)C(=O)N(C)C 240690a_100102631434_100000210906 [1,1,0,0,0,0|2,0,0]=4 4157 B9R0.6 CCCC(C)C(=O)N(C)C 527a_100102631434_100000210906 [1,1,0,0,0,0|2,0,0]=4 4158 B9R0.6 CCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000766640 [1,1,0,0,0,0|1,0,0]=3 4159 B9R0.6 CCCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000766640 [1,1,0,0,0,0|1,0,0]=3 4160 B9R0.6 CCCN(C)C(=O)C(C)C 11a_100000747261_100000210198 [1,1,0,0,0,0|2,0,0]=4 4161 B9R0.6 CCCN(C)C(=O)C(C)C 1626a_100000747261_100000210198 [1,1,0,0,0,0|2,0,0]=4 4162 B9R0.6 CCCN(C)C(=O)C(C)C 240690a_100000747261_100000210198 [1,1,0,0,0,0|2,0,0]=4 4163 B9R0.6 CCCN(C)C(=O)C(C)C 527a_100000747261_100000210198 [1,1,0,0,0,0|2,0,0]=4 4164 B9R0.6 CCCN(C)C(=O)C(C)F 11a_100000747261_100000062450 [1,1,0,0,0,0|2,0,0]=4 4165 B9R0.6 CCCN(C)C(=O)C(C)F 1626a_100000747261_100000062450 [1,1,0,0,0,0|2,0,0]=4 4166 B9R0.6 CCCN(C)C(=O)C(C)F 240690a_100000747261_100000062450 [1,1,0,0,0,0|2,0,0]=4 4167 B9R0.6 CCCN(C)C(=O)C(C)F 527a_100000747261_100000062450 [1,1,0,0,0,0|2,0,0]=4 4168 B9R0.6 CCCN(C)C(=O)[C@@H](C)O 240690a_100000747261_100000717761 [1,1,0,0,0,0|2,0,0]=4 4169 B9R0.6 CCCN(C)C(=O)[C@H](C)O 1626a_100000747261_217856618621 [1,1,0,0,0,0|2,0,0]=4 4170 B9R0.6 CCCN(C)C(=O)[C@H](C)O 240690a_100000747261_217856618621 [1,1,0,0,0,0|2,0,0]=4 4171 B9R0.6 CCC[C@H](O)C(=O)C(C)C 1458a_100009822183_100000210206 [1,1,0,0,0,0|0,0,0]=2 4172 B9R0.6 CCC[C@H](O)C(=O)N(C)C 240690a_100102631434_100009822183 [1,1,0,0,0,0|1,0,0]=3 4173 B9R0.6 CCNC(=O)C(C)C(C)C 11a_100015525214_100000755409 [1,1,0,0,0,0|2,0,0]=4 4174 B9R0.6 CCNC(=O)C(C)C(C)C 240690a_100015525214_100000755409 [1,1,0,0,0,0|2,0,0]=4 4175 B9R0.6 CCNC(=O)C(C)C(C)C 527a_100015525214_100000755409 [1,1,0,0,0,0|2,0,0]=4 4176 B9R0.6 CCNC(=O)[C@H](O)C(C)C 240690a_100015525214_100000691806 [1,1,0,0,0,0|1,0,0]=3 4177 B9R0.6 CCNC(C)C(=O)C(C)C 2230a_100015525214_100009893295 [1,1,0,0,0,0|2,0,0]=4 4178 B9R0.6 CCOC(C)C(=O)C(C)C 1458a_100000739345_100000210206 [1,1,0,0,0,0|2,0,0]=4 4179 B9R0.6 CCSC(C)C(=O)C(C)C 1458a_100000230601_100000210206 [1,1,0,0,0,0|2,0,0]=4 4180 B9R0.6 CCSC(C)C(=O)C(C)C 62a_100000210202_100009893295 [1,1,0,0,0,0|2,0,0]=4 4181 B9R0.6 CCSC(C)C(=O)C(C)C 62a_100009893295_100000210202 [1,1,0,0,0,0|2,0,0]=4 4182 B9R0.6 CNNC(=O)[C@H](O)C(C)C 22a_100016993582_100000691806 [1,1,0,0,0,0|2,0,0]=4 4183 B9R0.6 COCC(C)C(=O)C(C)C 1458a_100000210198_100000765312 [1,1,0,0,0,0|2,0,0]=4 4184 B9R0.6 COCC(C)C(=O)C(C)C 1458a_100000751857_100000210206 [1,1,0,0,0,0|2,0,0]=4 4185 B9R0.6 COCC(C)C(=O)C(C)F 1458a_100000062450_100000765312 [1,1,0,0,0,0|2,0,0]=4 4186 B9R0.6 COCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000765312 [1,1,0,0,0,0|2,0,0]=4 4187 B9R0.6 COCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000765312 [1,1,0,0,0,0|2,0,0]=4 4188 B9R0.6 CSCC(C)C(=O)C(C)C 1458a_100000753918_100000210206 [1,1,0,0,0,0|2,0,0]=4 4189 B9R0.12 CCCC(CC)C(=O)CC 1458a_100000210414_100011219200 [1,1,0,0,0,0|1,0,0]=3 4190 B9R0.12 CCCC(CC)C(=O)CC 1458a_100011416436_100000210202 [1,1,0,0,0,0|1,0,0]=3 4191 B9R0.12 CCCC(CC)C(=O)CF 1458a_100011416436_100015361967 [1,1,0,0,0,0|2,0,0]=4 4192 B9R0.12 CCCC(CC)C(=O)CO 1458a_100000210174_100011219200 [1,1,0,0,0,0|2,0,0]=4 4193 B9R0.12 CCCC(CC)C(=O)NC 11a_106832991635_100011416436 [1,1,0,0,0,0|2,0,0]=4 4194 B9R0.12 CCCC(CC)C(=O)NC 1626a_100102657272_100011416436 [1,1,0,0,0,0|2,0,0]=4 4195 B9R0.12 CCCC(CC)C(=O)NC 240690a_100102657272_100011416436 [1,1,0,0,0,0|2,0,0]=4 4196 B9R0.12 CCCC(CC)C(=O)NC 527a_100102657272_100011416436 [1,1,0,0,0,0|2,0,0]=4 4197 B9R0.12 CCCC(NC)C(=O)NC 2230a_106256046333_200000210301 [1,1,0,0,0,0|2,0,0]=4 4198 B9R0.12 CCCC(NC)C(=O)NC 34a_106256046333_200000210301 [1,1,0,0,0,0|2,0,0]=4 4199 B9R0.12 CCCC(NC)C(=O)OC 2230a_106832991635_200009843822 [1,1,0,0,0,0|2,0,0]=4 4200 B9R0.12 CCCC(NC)C(=O)OC 34a_100102657272_200009843822 [1,1,0,0,0,0|2,0,0]=4 4201 B9R0.12 CCCC(NC)C(=O)OC 7a_106832991635_200009843822 [1,1,0,0,0,0|2,0,0]=4 4202 B9R0.12 CCCC(N[13CH3])C(=O)NC 2230a_106256046333_200025704644 [1,1,0,0,0,0|2,0,0]=4 4203 B9R0.12 CCCC(N[13CH3])C(=O)NC 34a_106256046333_200025704644 [1,1,0,0,0,0|2,0,0]=4 4204 B9R0.12 CCCC(OC)C(=O)OC 34a_100138415774_200009843822 [1,1,0,0,0,0|1,0,0]=3 4205 B9R0.12 CCCC(OC)C(C)CC 34a_100011215975_200000210301 [1,1,0,0,0,0|1,0,1]=4 4206 B9R0.12 CCCC(OC)C(C)CC 7a_100011215975_200000210301 [1,1,0,0,0,0|1,0,1]=4 4207 B9R0.12 CCCC(O[13CH3])C(C)CC 34a_100011215975_200025704644 [1,1,0,0,0,0|1,0,1]=4 4208 B9R0.12 CCCC(O[13CH3])C(C)CC 7a_100011215975_200025704644 [1,1,0,0,0,0|1,0,1]=4 4209 B9R0.12 CCCC(SC)C(=O)OC 62a_200000210301_200009843822 [1,1,0,0,0,0|1,1,0]=4 4210 B9R0.12 CCCC(SC)C(=O)OC 62a_200009843822_200000210301 [1,1,0,0,0,0|1,1,0]=4 4211 B9R0.12 CCCC(S[13CH3])C(=O)OC 62a_200009843822_200025704644 [1,1,0,0,0,0|1,1,0]=4 4212 B9R0.12 CCCC(S[13CH3])C(=O)OC 62a_200025704644_200009843822 [1,1,0,0,0,0|1,1,0]=4 4213 B9R0.12 CCCN(CC)C(=O)CC 11a_100000226822_100000210414 [1,1,0,0,0,0|2,0,0]=4 4214 B9R0.12 CCCN(CC)C(=O)CC 1626a_100000226822_100000210414 [1,1,0,0,0,0|2,0,0]=4 4215 B9R0.12 CCCN(CC)C(=O)CC 240690a_100000226822_100000210414 [1,1,0,0,0,0|2,0,0]=4 4216 B9R0.12 CCCN(CC)C(=O)CC 527a_100000226822_100000210414 [1,1,0,0,0,0|2,0,0]=4 4217 B9R0.12 CCOC(CC)C(=O)CC 34a_200011218131_100000210202 [1,1,0,0,0,0|2,0,0]=4 4218 B9R0.12 CCOC(CC)C(=O)CC 7a_200011218131_100000210202 [1,1,0,0,0,0|2,0,0]=4 4219 B9R0.12 CCOC(CO)C(=O)OC 34a_100121572206_100012276630 [1,1,0,0,0,0|2,0,0]=4 4220 B9R0.12 CCOC(OC)C(=O)OC 34a_100000036821_100000210202 [1,1,0,0,0,0|2,0,0]=4 4221 B9R0.12 CCOC(OC)C(=O)OC 34a_100121572206_100000101307 [1,1,0,0,0,0|2,0,0]=4 4222 B9R0.12 CCSC(CO)C(=O)OC 62a_100000210202_100012276630 [1,1,0,0,0,0|2,0,0]=4 4223 B9R0.12 CCSC(CO)C(=O)OC 62a_100012276630_100000210202 [1,1,0,0,0,0|2,0,0]=4 4224 B9R0.12 CCSC(OC)C(=O)OC 62a_100000101307_100000210202 [1,1,0,0,0,0|2,0,0]=4 4225 B9R0.12 CCSC(OC)C(=O)OC 62a_100000210202_100000101307 [1,1,0,0,0,0|2,0,0]=4 4226 B9R0.12 COCC(OC)C(=O)OC 34a_100138415774_100000717350 [1,1,0,0,0,0|2,0,0]=4 4227 B9R0.19 C#CCC(=O)C(C)(O)CC 1458a_100011219770_100000184674 [1,1,0,0,0,0|0,0,2]=4 4228 B9R0.19 C=CCC(=O)C(C)(O)CC 1458a_100011219770_100000210623 [1,1,0,0,0,0|0,0,2]=4 4229 B9R0.19 CCC(C)(C)C(=O)CCF 1458a_100000749717_100011217306 [1,1,0,0,0,0|2,0,0]=4 4230 B9R0.19 CCC(C)(C)C(=O)CCO 1458a_100000749717_100000211926 [1,1,0,0,0,0|2,0,0]=4 4231 B9R0.19 CCC(C)(O)C(=O)CC#N 1458a_100011219770_100011214920 [1,1,0,0,0,0|1,0,1]=4 4232 B9R0.19 CCC(C)(O)C(=O)CCF 1458a_100011219770_100011217306 [1,1,0,0,0,0|1,0,0]=3 4233 B9R0.19 CCC(C)(O)C(=O)CCO 1458a_100011219770_100000211926 [1,1,0,0,0,0|1,0,0]=3 4234 B9R0.19 CCC(C)(O)C(=O)NNC 22a_100016993582_100011219770 [1,1,0,0,0,0|2,0,0]=4 4235 B9R0.19 CCC(F)(F)C(=O)CCF 1458a_100000061896_100011217306 [1,1,0,0,0,0|2,0,0]=4 4236 B9R0.19 CCC(F)(F)C(=O)CCO 1458a_100000061896_100000211926 [1,1,0,0,0,0|2,0,0]=4 4237 B9R0.19 CCCC(=O)C(C)(C)CC 1458a_100000749717_100000210303 [1,1,0,0,0,0|1,0,0]=3 4238 B9R0.19 CCCC(=O)C(C)(C)CF 1458a_100000138116_100000210303 [1,1,0,0,0,0|2,0,0]=4 4239 B9R0.19 CCCC(=O)C(C)(C)CO 1458a_100000749806_100000210303 [1,1,0,0,0,0|2,0,0]=4 4240 B9R0.19 CCCC(=O)C(C)(C)OC 1458a_100000753492_100000210303 [1,1,0,0,0,0|2,0,0]=4 4241 B9R0.19 CCCC(=O)C(C)(O)CC 1458a_100011219770_100000210303 [1,1,0,0,0,0|0,0,0]=2 4242 B9R0.19 CCCC(=O)C(F)(F)CC 1458a_100000061896_100000210303 [1,1,0,0,0,0|1,0,0]=3 4243 B9R0.19 CCNC(=O)C(C)(C)CC 11a_100015525214_100000749717 [1,1,0,0,0,0|2,0,0]=4 4244 B9R0.19 CCNC(=O)C(C)(C)CC 240690a_100015525214_100000749717 [1,1,0,0,0,0|2,0,0]=4 4245 B9R0.19 CCNC(=O)C(C)(C)CC 527a_100015525214_100000749717 [1,1,0,0,0,0|2,0,0]=4 4246 B9R0.19 CCNC(=O)C(C)(O)CC 240690a_100015525214_100011219770 [1,1,0,0,0,0|1,0,0]=3 4247 B9R0.19 CCNC(=O)C(F)(F)CC 11a_100015525214_100000061896 [1,1,0,0,0,0|2,0,0]=4 4248 B9R0.19 CCNC(=O)C(F)(F)CC 240690a_100015525214_100000061896 [1,1,0,0,0,0|2,0,0]=4 4249 B9R0.19 CCNC(=O)C(F)(F)CC 527a_100015525214_100000061896 [1,1,0,0,0,0|2,0,0]=4 4250 B9R0.23 C=C(C)CC(=O)C(C)CC 1458a_100011192722_100000748629 [1,1,0,0,0,0|1,0,1]=4 4251 B9R0.23 C=C(C)CC(=O)C(O)CC 1458a_100011196387_100000748629 [1,1,0,0,0,0|0,0,1]=3 4252 B9R0.23 C=C(C)CC(=O)C(O)CO 1458a_100011215603_100000748629 [1,1,0,0,0,0|1,0,1]=4 4253 B9R0.23 C=C(F)CC(=O)C(O)CC 1458a_100011196387_100009893438 [1,1,0,0,0,0|0,0,2]=4 4254 B9R0.23 CC(C)CC(=O)C(O)CO 1458a_100011215603_100000210624 [1,1,0,0,0,0|1,0,0]=3 4255 B9R0.23 CC(C)CC(C)C(=O)CO 1458a_100000210174_100000731052 [1,1,0,0,0,0|2,0,0]=4 4256 B9R0.23 CC(C)C[C@H](O)C(=O)CF 1458a_100012027011_100015361967 [1,1,0,0,0,0|1,0,0]=3 4257 B9R0.23 CC(C)NC(=O)C(O)CO 240690a_100138425928_100011215603 [1,1,0,0,0,0|2,0,0]=4 4258 B9R0.23 CC(O)CC(=O)C(O)CO 1458a_100011215603_100011218427 [1,1,0,0,0,0|1,0,0]=3 4259 B9R0.23 CCC(=O)C(C)CC(C)C 1458a_100000210414_100000731052 [1,1,0,0,0,0|1,0,0]=3 4260 B9R0.23 CCC(=O)C(C)CN(C)C 1458a_200015186601_100000210202 [1,1,0,0,0,0|2,0,0]=4 4261 B9R0.23 CCC(=O)C(C)NC(C)C 2230a_100138425928_100000742827 [1,1,0,0,0,0|2,0,0]=4 4262 B9R0.23 CCC(=O)C(C)SC(C)C 62a_100000210206_100000742827 [1,1,0,0,0,0|2,0,0]=4 4263 B9R0.23 CCC(=O)C(C)SC(C)C 62a_100000742827_100000210206 [1,1,0,0,0,0|2,0,0]=4 4264 B9R0.23 CCC(=O)N(C)CC(C)C 11a_100000747067_100000210414 [1,1,0,0,0,0|2,0,0]=4 4265 B9R0.23 CCC(=O)N(C)CC(C)C 1626a_100000747067_100000210414 [1,1,0,0,0,0|2,0,0]=4 4266 B9R0.23 CCC(=O)N(C)CC(C)C 240690a_100000747067_100000210414 [1,1,0,0,0,0|2,0,0]=4 4267 B9R0.23 CCC(=O)N(C)CC(C)C 527a_100000747067_100000210414 [1,1,0,0,0,0|2,0,0]=4 4268 B9R0.23 CCC(=O)N(C)CC(C)O 240690a_100000227577_100000210414 [1,1,0,0,0,0|2,0,0]=4 4269 B9R0.23 CCC(=O)N(C)CC(C)O 527a_100000227577_100000210414 [1,1,0,0,0,0|2,0,0]=4 4270 B9R0.23 CCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210202 [1,1,0,0,0,0|0,0,0]=2 4271 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100000210554_100000758301 [1,1,0,0,0,0|1,0,0]=3 4272 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100011192722_100000210624 [1,1,0,0,0,0|1,0,0]=3 4273 B9R0.23 CCC(C)C(=O)CC(C)O 1458a_100011192722_100011218427 [1,1,0,0,0,0|1,0,0]=3 4274 B9R0.23 CCC(C)C(=O)CC(F)F 1458a_100011192722_100011934356 [1,1,0,0,0,0|2,0,0]=4 4275 B9R0.23 CCC(C)C(=O)CN(C)C 1458a_100000750896_100000758301 [1,1,0,0,0,0|2,0,0]=4 4276 B9R0.23 CCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000758301 [1,1,0,0,0,0|1,0,0]=3 4277 B9R0.23 CCC(C)C(=O)C[S+](C)C 1458a_200159257847_100000758301 [1,1,0,0,0,0|2,0,0]=4 4278 B9R0.23 CCC(C)C(=O)NC(C)C 11a_100138425928_100011192722 [1,1,0,0,0,0|2,0,0]=4 4279 B9R0.23 CCC(C)C(=O)NC(C)C 1626a_100138425928_100011192722 [1,1,0,0,0,0|2,0,0]=4 4280 B9R0.23 CCC(C)C(=O)NC(C)C 240690a_100138425928_100011192722 [1,1,0,0,0,0|2,0,0]=4 4281 B9R0.23 CCC(C)C(=O)NC(C)C 527a_100138425928_100011192722 [1,1,0,0,0,0|2,0,0]=4 4282 B9R0.23 CCC(O)C(=O)CC(=O)N 1458a_100011196387_100000187820 [1,1,0,0,0,0|1,0,1]=4 4283 B9R0.23 CCC(O)C(=O)CC(=O)[O-] 1458a_100011196387_100020667443 [1,1,0,0,0,0|1,0,1]=4 4284 B9R0.23 CCC(O)C(=O)CC(C)C 1458a_100011196387_100000210624 [1,1,0,0,0,0|0,0,0]=2 4285 B9R0.23 CCC(O)C(=O)CC(C)O 1458a_100011196387_100011218427 [1,1,0,0,0,0|0,0,0]=2 4286 B9R0.23 CCC(O)C(=O)CC(F)F 1458a_100011196387_100011934356 [1,1,0,0,0,0|1,0,0]=3 4287 B9R0.23 CCC(O)C(=O)C[N+](=O)[O-] 1458a_100011196387_100000761209 [1,1,0,0,0,0|2,0,0]=4 4288 B9R0.23 CCC(O)C(=O)NC(C)C 240690a_100138425928_100011196387 [1,1,0,0,0,0|1,0,0]=3 4289 B9R0.23 CCN(C)C(=O)CC(C)C 11a_100000225621_100000210554 [1,1,0,0,0,0|2,0,0]=4 4290 B9R0.23 CCN(C)C(=O)CC(C)C 1626a_100000225621_100000210554 [1,1,0,0,0,0|2,0,0]=4 4291 B9R0.23 CCN(C)C(=O)CC(C)C 240690a_100000225621_100000210554 [1,1,0,0,0,0|2,0,0]=4 4292 B9R0.23 CCN(C)C(=O)CC(C)C 527a_100000225621_100000210554 [1,1,0,0,0,0|2,0,0]=4 4293 B9R0.23 CCN(C)C(=O)C[C@@H](C)O 240690a_100000225621_100011933948 [1,1,0,0,0,0|2,0,0]=4 4294 B9R0.23 CNC(=O)[C@@H](O)CC(C)C 1626a_100102657272_100012027011 [1,1,0,0,0,0|1,0,0]=3 4295 B9R0.23 CNC(=O)[C@@H](O)CC(C)C 240690a_100102657272_100012027011 [1,1,0,0,0,0|1,0,0]=3 4296 B9R0.23 COC(C)C(=O)CC(C)C 1458a_100000743197_100000210624 [1,1,0,0,0,0|2,0,0]=4 4297 B9R0.23 COC(C)C(=O)CC(C)O 1458a_100000743197_100011218427 [1,1,0,0,0,0|2,0,0]=4 4298 B9R0.23 CSC(C)C(=O)CC(C)C 1458a_100000149566_100000210624 [1,1,0,0,0,0|2,0,0]=4 4299 B9R0.23 CSC(C)C(=O)CC(C)O 1458a_100000149566_100011218427 [1,1,0,0,0,0|2,0,0]=4 4300 B9R0.23 O=C(CC(F)F)C(O)CO 1458a_100011215603_100011934356 [1,1,0,0,0,0|2,0,0]=4 4301 B9R0.27 C#CC(C)C(=O)C(O)CC 1458a_100011196387_200000035995 [1,1,0,0,0,0|0,0,2]=4 4302 B9R0.27 CCC(=O)C(C)C(=O)CC 1458a_100000210414_100000742827 [1,1,0,0,0,0|1,0,1]=4 4303 B9R0.27 CCC(=O)C(C)N(C)CC 1458a_100011281945_100000210202 [1,1,0,0,0,0|2,0,0]=4 4304 B9R0.27 CCC(=O)C(C)N(C)CC 2230a_100000225621_100000742827 [1,1,0,0,0,0|2,0,0]=4 4305 B9R0.27 CCC(=O)C(C)N(C)CC 269982a_100000225621_100000742827 [1,1,0,0,0,0|2,0,0]=4 4306 B9R0.27 CCC(=O)N(C)C(C)CC 11a_100000741768_100000210414 [1,1,0,0,0,0|2,0,0]=4 4307 B9R0.27 CCC(=O)N(C)C(C)CC 1626a_100000741768_100000210414 [1,1,0,0,0,0|2,0,0]=4 4308 B9R0.27 CCC(=O)N(C)C(C)CC 240690a_100000741768_100000210414 [1,1,0,0,0,0|2,0,0]=4 4309 B9R0.27 CCC(=O)N(C)C(C)CC 527a_100000741768_100000210414 [1,1,0,0,0,0|2,0,0]=4 4310 B9R0.27 CCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210202 [1,1,0,0,0,0|1,0,0]=3 4311 B9R0.27 CCC(C)C(=O)C(C)CC 1458a_100011192722_100000758301 [1,1,0,0,0,0|1,0,0]=3 4312 B9R0.27 CCC(C)C(=O)C(C)OC 1458a_100000743197_100000758301 [1,1,0,0,0,0|2,0,0]=4 4313 B9R0.27 CCC(C)C(=O)C(C)SC 1458a_100000149566_100000758301 [1,1,0,0,0,0|2,0,0]=4 4314 B9R0.27 CCC(C)C(=O)C(O)CC 1458a_100011196387_100000758301 [1,1,0,0,0,0|0,0,0]=2 4315 B9R0.27 CCC(C)C(=O)C(O)CO 1458a_100011215603_100000758301 [1,1,0,0,0,0|1,0,0]=3 4316 B9R0.27 CCC(C)C(=O)N(C)CC 11a_100000225621_100011192722 [1,1,0,0,0,0|2,0,0]=4 4317 B9R0.27 CCC(C)C(=O)N(C)CC 1626a_100000225621_100011192722 [1,1,0,0,0,0|2,0,0]=4 4318 B9R0.27 CCC(C)C(=O)N(C)CC 240690a_100000225621_100011192722 [1,1,0,0,0,0|2,0,0]=4 4319 B9R0.27 CCC(C)C(=O)N(C)CC 527a_100000225621_100011192722 [1,1,0,0,0,0|2,0,0]=4 4320 B9R0.27 CCC(O)C(=O)C(C)C#N 1458a_100011196387_100000703298 [1,1,0,0,0,0|1,0,1]=4 4321 B9R0.27 CCC(O)C(=O)N(C)CC 240690a_100000225621_100011196387 [1,1,0,0,0,0|1,0,0]=3 4322 B9R0.27 CCN(C)C(=O)C(O)CO 240690a_100000225621_100011215603 [1,1,0,0,0,0|2,0,0]=4 4323 B9R0.27 CNC(=O)[C@H](O)[C@H](O)CO 240690a_100102657272_100015448053 [1,1,0,0,0,0|2,0,0]=4 4324 B9R0.27 O=C(CF)[C@H](O)[C@H](O)CO 1458a_100015448053_100015361967 [1,1,0,0,0,0|2,0,0]=4 4325 B9R0.37 C#CCC(=O)C(CC)OC 1458a_100000747056_100000184674 [1,1,0,0,0,0|0,0,2]=4 4326 B9R0.37 C=CCC(=O)C(CC)OC 1458a_100000747056_100000210623 [1,1,0,0,0,0|0,0,2]=4 4327 B9R0.37 CCC(CC)C(=O)CCF 1458a_100000211163_100011217306 [1,1,0,0,0,0|2,0,0]=4 4328 B9R0.37 CCC(CC)C(=O)CCO 1458a_100000211163_100000211926 [1,1,0,0,0,0|2,0,0]=4 4329 B9R0.37 CCC(CC)C(=O)CCO 1458a_100011216618_100000210505 [1,1,0,0,0,0|2,0,0]=4 4330 B9R0.37 CCC(CC)C(=O)COC 1458a_100000210968_100000210505 [1,1,0,0,0,0|2,0,0]=4 4331 B9R0.37 CCC(CC)C(=O)CSC 1458a_100000184570_100000210505 [1,1,0,0,0,0|2,0,0]=4 4332 B9R0.37 CCC(OC)C(=O)CC#N 1458a_100000747056_100011214920 [1,1,0,0,0,0|1,0,1]=4 4333 B9R0.37 CCC(OC)C(=O)CCF 1458a_100000747056_100011217306 [1,1,0,0,0,0|1,0,0]=3 4334 B9R0.37 CCC(OC)C(=O)CCO 1458a_100000747056_100000211926 [1,1,0,0,0,0|1,0,0]=3 4335 B9R0.37 CCC(OC)C(=O)NNC 22a_100016993582_100000747056 [1,1,0,0,0,0|2,0,0]=4 4336 B9R0.37 CCCC(=O)C(CC)CC 1458a_100000211163_100000210303 [1,1,0,0,0,0|1,0,0]=3 4337 B9R0.37 CCCC(=O)C(CC)CC 1458a_100000211992_100000210505 [1,1,0,0,0,0|1,0,0]=3 4338 B9R0.37 CCCC(=O)C(CC)OC 1458a_100000747056_100000210303 [1,1,0,0,0,0|0,0,0]=2 4339 B9R0.37 CCCC(=O)C(OC)OC 1458a_100000046285_100000210303 [1,1,0,0,0,0|1,0,0]=3 4340 B9R0.37 CCCC(=O)N(CC)CC 11a_100000724800_100000211992 [1,1,0,0,0,0|2,0,0]=4 4341 B9R0.37 CCCC(=O)N(CC)CC 1626a_100000724800_100000211992 [1,1,0,0,0,0|2,0,0]=4 4342 B9R0.37 CCCC(=O)N(CC)CC 240690a_100000724800_100000211992 [1,1,0,0,0,0|2,0,0]=4 4343 B9R0.37 CCCC(=O)N(CC)CC 527a_100000724800_100000211992 [1,1,0,0,0,0|2,0,0]=4 4344 B9R0.37 CCCC(C)C(CC)OC 34a_200011218412_200000210301 [1,1,0,0,0,0|1,0,1]=4 4345 B9R0.37 CCCC(C)C(CC)OC 7a_200011218412_200000210301 [1,1,0,0,0,0|1,0,1]=4 4346 B9R0.37 CCCC(C)C(CC)O[13CH3] 34a_200011218412_200025704644 [1,1,0,0,0,0|1,0,1]=4 4347 B9R0.37 CCCC(C)C(CC)O[13CH3] 7a_200011218412_200025704644 [1,1,0,0,0,0|1,0,1]=4 4348 B9R0.37 CCNC(=O)C(CC)CC 11a_100015525214_100000211163 [1,1,0,0,0,0|2,0,0]=4 4349 B9R0.37 CCNC(=O)C(CC)CC 240690a_100015525214_100000211163 [1,1,0,0,0,0|2,0,0]=4 4350 B9R0.37 CCNC(=O)C(CC)CC 527a_100015525214_100000211163 [1,1,0,0,0,0|2,0,0]=4 4351 B9R0.37 CCNC(=O)C(CC)OC 11a_100015525214_100000747056 [1,1,0,0,0,0|1,0,0]=3 4352 B9R0.37 CCNC(=O)C(CC)OC 240690a_100015525214_100000747056 [1,1,0,0,0,0|1,0,0]=3 4353 B9R0.37 CCNC(=O)C(CC)OC 527a_100015525214_100000747056 [1,1,0,0,0,0|1,0,0]=3 4354 B9R0.37 CCNC(=O)C(OC)OC 11a_100015525214_100000046285 [1,1,0,0,0,0|2,0,0]=4 4355 B9R0.37 CCNC(=O)C(OC)OC 240690a_100015525214_100000046285 [1,1,0,0,0,0|2,0,0]=4 4356 B9R0.37 CCNC(=O)C(OC)OC 527a_100015525214_100000046285 [1,1,0,0,0,0|2,0,0]=4 4357 B9R0.37 CCOC(=O)C(CC)NC 2230a_106832991635_100000212269 [1,1,0,0,0,0|2,0,0]=4 4358 B9R0.37 CCOC(=O)C(CC)NC 34a_100102657272_100000212269 [1,1,0,0,0,0|2,0,0]=4 4359 B9R0.37 CCOC(=O)C(CC)NC 7a_106832991635_100000212269 [1,1,0,0,0,0|2,0,0]=4 4360 B9R0.37 CCOC(=O)C(CC)OC 34a_100011216719_200000210301 [1,1,0,0,0,0|1,0,0]=3 4361 B9R0.37 CCOC(=O)C(CC)OC 34a_100138415774_100000212269 [1,1,0,0,0,0|1,0,0]=3 4362 B9R0.37 CCOC(=O)C(CC)OC 7a_100011216719_200000210301 [1,1,0,0,0,0|1,0,0]=3 4363 B9R0.37 CCOC(=O)C(CC)O[13CH3] 34a_100011216719_200025704644 [1,1,0,0,0,0|1,0,0]=3 4364 B9R0.37 CCOC(=O)C(CC)O[13CH3] 7a_100011216719_200025704644 [1,1,0,0,0,0|1,0,0]=3 4365 B9R0.37 CCOC(=O)C(CC)SC 62a_100000212269_200000210301 [1,1,0,0,0,0|1,1,0]=4 4366 B9R0.37 CCOC(=O)C(CC)SC 62a_200000210301_100000212269 [1,1,0,0,0,0|1,1,0]=4 4367 B9R0.37 CCOC(=O)C(CC)S[13CH3] 62a_100000212269_200025704644 [1,1,0,0,0,0|1,1,0]=4 4368 B9R0.37 CCOC(=O)C(CC)S[13CH3] 62a_200025704644_100000212269 [1,1,0,0,0,0|1,1,0]=4 4369 B9R0.37 CCOC(=O)C(OC)SC 34a_100138415774_100009893047 [1,1,0,0,0,0|2,0,0]=4 4370 B9R0.37 COC(OC)C(=O)CCF 1458a_100000046285_100011217306 [1,1,0,0,0,0|2,0,0]=4 4371 B9R0.37 COC(OC)C(=O)CCO 1458a_100000046285_100000211926 [1,1,0,0,0,0|2,0,0]=4 4372 B9R0.60 CCCC(C)(C)C(=O)CC 1458a_100011215034_100000210202 [1,1,0,0,0,0|1,0,0]=3 4373 B9R0.60 CCCC(C)(C)C(=O)CF 1458a_100011215034_100015361967 [1,1,0,0,0,0|2,0,0]=4 4374 B9R0.60 CCCC(C)(C)C(=O)NC 11a_106832991635_100011215034 [1,1,0,0,0,0|2,0,0]=4 4375 B9R0.60 CCCC(C)(C)C(=O)NC 1626a_100102657272_100011215034 [1,1,0,0,0,0|2,0,0]=4 4376 B9R0.60 CCCC(C)(C)C(=O)NC 240690a_100102657272_100011215034 [1,1,0,0,0,0|2,0,0]=4 4377 B9R0.60 CCCC(C)(C)C(=O)NC 527a_100102657272_100011215034 [1,1,0,0,0,0|2,0,0]=4 4378 B9R0.60 CCOC(C)(C)C(=O)CC 1458a_100011458965_100000210202 [1,1,0,0,0,0|2,0,0]=4 4379 B11R0.1 C=C(C)CC(=O)CC(C)CCC 1458a_100000748435_100000748629 [0,1,0,0,0,1|1,0,1]=4 4380 B11R0.1 C=C(CCC)CC(=O)CC(C)C 1458a_100000138376_100000210624 [0,1,0,0,0,1|1,0,1]=4 4381 B11R0.1 C=C(CCC)CC(=O)CC(C)O 1458a_100000138376_100011218427 [0,1,0,0,0,1|1,0,1]=4 4382 B11R0.1 CC(C)CC(=O)N[C@H](C)CCO 240690a_100000706166_100000210554 [0,1,0,0,0,1|2,0,0]=4 4383 B11R0.1 CC(C)CC(=O)N[C@H](C)CCO 527a_100000706166_100000210554 [0,1,0,0,0,1|2,0,0]=4 4384 B11R0.1 CC(C)CC(C)NC(=O)CCO 240690a_100000692259_100011216618 [0,1,0,0,0,1|2,0,0]=4 4385 B11R0.1 CCCC(=CC(=O)CC(C)C)C 1458a_100020676950_100000210624 [0,1,0,0,0,1|1,0,1]=4 4386 B11R0.1 CCCC(=CC(=O)CC(C)O)C 1458a_100020676950_100011218427 [0,1,0,0,0,1|1,0,1]=4 4387 B11R0.1 CCCC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747444 [0,1,0,0,0,1|0,0,2]=4 4388 B11R0.1 CCCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747444 [0,1,0,0,0,1|0,0,2]=4 4389 B11R0.1 CCCC(=O)CN(C)CC(C)C 2230a_100000747067_100000747444 [0,1,0,0,0,1|2,0,0]=4 4390 B11R0.1 CCCC(=O)CN(C)CC(C)C 269982a_100000747067_100000747444 [0,1,0,0,0,1|2,0,0]=4 4391 B11R0.1 CCCC(=O)CN(C)CC(C)O 2230a_100000227577_100000747444 [0,1,0,0,0,1|2,0,0]=4 4392 B11R0.1 CCCC(=O)CN(C)CC(C)O 269982a_100000227577_100000747444 [0,1,0,0,0,1|2,0,0]=4 4393 B11R0.1 CCCC(=O)NC(C)CC(C)C 11a_100000692259_100000211992 [0,1,0,0,0,1|1,0,0]=3 4394 B11R0.1 CCCC(=O)NC(C)CC(C)C 1626a_100000692259_100000211992 [0,1,0,0,0,1|1,0,0]=3 4395 B11R0.1 CCCC(=O)NC(C)CC(C)C 240690a_100000692259_100000211992 [0,1,0,0,0,1|1,0,0]=3 4396 B11R0.1 CCCC(=O)NC(C)CC(C)C 527a_100000692259_100000211992 [0,1,0,0,0,1|1,0,0]=3 4397 B11R0.1 CCCC(=O)NC(C)CN(C)C 11a_100016992788_100000211992 [0,1,0,0,0,1|2,0,0]=4 4398 B11R0.1 CCCC(=O)NC(C)CN(C)C 240690a_100016992788_100000211992 [0,1,0,0,0,1|2,0,0]=4 4399 B11R0.1 CCCC(=O)NC(C)CN(C)C 527a_100016992788_100000211992 [0,1,0,0,0,1|2,0,0]=4 4400 B11R0.1 CCCC(C)CC(=O)CC(C)C 1458a_100000210554_100011216630 [0,1,0,0,0,1|1,0,0]=3 4401 B11R0.1 CCCC(C)CC(=O)CC(C)C 1458a_100000748435_100000210624 [0,1,0,0,0,1|1,0,0]=3 4402 B11R0.1 CCCC(C)CC(=O)CC(C)O 1458a_100000748435_100011218427 [0,1,0,0,0,1|1,0,0]=3 4403 B11R0.1 CCCC(C)CC(=O)CC(F)F 1458a_100000748435_100011934356 [0,1,0,0,0,1|2,0,0]=4 4404 B11R0.1 CCCC(C)CC(=O)CN(C)C 1458a_100000750896_100011216630 [0,1,0,0,0,1|2,0,0]=4 4405 B11R0.1 CCCC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100011216630 [0,1,0,0,0,1|1,0,0]=3 4406 B11R0.1 CCCC(C)CC(=O)C[S+](C)C 1458a_200159257847_100011216630 [0,1,0,0,0,1|2,0,0]=4 4407 B11R0.1 CCCC(C)CC(=O)NC(C)C 11a_100138425928_100000748435 [0,1,0,0,0,1|2,0,0]=4 4408 B11R0.1 CCCC(C)CC(=O)NC(C)C 1626a_100138425928_100000748435 [0,1,0,0,0,1|2,0,0]=4 4409 B11R0.1 CCCC(C)CC(=O)NC(C)C 240690a_100138425928_100000748435 [0,1,0,0,0,1|2,0,0]=4 4410 B11R0.1 CCCC(C)CC(=O)NC(C)C 527a_100138425928_100000748435 [0,1,0,0,0,1|2,0,0]=4 4411 B11R0.1 CCCC(C)NC(=O)CC(C)C 11a_100000741246_100000210554 [0,1,0,0,0,1|1,0,0]=3 4412 B11R0.1 CCCC(C)NC(=O)CC(C)C 1626a_100000741246_100000210554 [0,1,0,0,0,1|1,0,0]=3 4413 B11R0.1 CCCC(C)NC(=O)CC(C)C 240690a_100000741246_100000210554 [0,1,0,0,0,1|1,0,0]=3 4414 B11R0.1 CCCC(C)NC(=O)CC(C)C 527a_100000741246_100000210554 [0,1,0,0,0,1|1,0,0]=3 4415 B11R0.1 CCCC(C)NC(=O)CN(C)C 11a_100000741246_100000750896 [0,1,0,0,0,1|2,0,0]=4 4416 B11R0.1 CCCC(C)NC(=O)CN(C)C 240690a_100000741246_100000750896 [0,1,0,0,0,1|2,0,0]=4 4417 B11R0.1 CCCC(C)NC(=O)CN(C)C 527a_100000741246_100000750896 [0,1,0,0,0,1|2,0,0]=4 4418 B11R0.1 CCCC(C)NC(=O)C[C@@H](C)O 240690a_100000741246_100011933948 [0,1,0,0,0,1|1,0,0]=3 4419 B11R0.1 CCCC(C)NC(=O)C[S+](C)C 11a_100000741246_200159257847 [0,1,0,0,0,1|2,0,0]=4 4420 B11R0.1 CCCC(C)NC(=O)C[S+](C)C 1626a_100000741246_200159257847 [0,1,0,0,0,1|2,0,0]=4 4421 B11R0.1 CCCC(C)NC(=O)C[S+](C)C 240690a_100000741246_200159257847 [0,1,0,0,0,1|2,0,0]=4 4422 B11R0.1 CCCC(C)NC(=O)C[S+](C)C 527a_100000741246_200159257847 [0,1,0,0,0,1|2,0,0]=4 4423 B11R0.1 CCCC(C)NC(=O)NC(C)C 2708a_100000741246_100138425928 [0,1,0,0,0,1|2,0,0]=4 4424 B11R0.1 CCCC(C)NC(=O)NC(C)C 2708a_100138425928_100000741246 [0,1,0,0,0,1|2,0,0]=4 4425 B11R0.1 CCCC(C)NC(=O)NC(C)C 512a_100000741246_100138425928 [0,1,0,0,0,1|2,0,0]=4 4426 B11R0.1 CCCC(C)NC(=O)NC(C)C 512a_100138425928_100000741246 [0,1,0,0,0,1|2,0,0]=4 4427 B11R0.1 CCCS(=O)CC(=O)CC(C)C 1458a_100011387404_100000210624 [0,1,0,0,0,1|1,0,1]=4 4428 B11R0.1 CCCS(=O)CC(=O)CC(C)O 1458a_100011387404_100011218427 [0,1,0,0,0,1|1,0,1]=4 4429 B11R0.1 CCNC(=O)NC(C)CC(C)C 2708a_100000692259_100015525214 [0,1,0,0,0,1|2,0,0]=4 4430 B11R0.1 CCNC(=O)NC(C)CC(C)C 2708a_100015525214_100000692259 [0,1,0,0,0,1|2,0,0]=4 4431 B11R0.1 CCNC(=O)NC(C)CC(C)C 273464a_100000692259_100015525214 [0,1,0,0,0,1|2,0,0]=4 4432 B11R0.1 CCNC(=O)NC(C)CC(C)C 512a_100000692259_100015525214 [0,1,0,0,0,1|2,0,0]=4 4433 B11R0.1 CCNC(=O)NC(C)CC(C)C 512a_100015525214_100000692259 [0,1,0,0,0,1|2,0,0]=4 4434 B11R0.1 CCOC(=O)C[C@H](O)CN(C)C 269982a_100102631434_100000688340 [0,1,0,0,0,1|2,0,0]=4 4435 B11R0.1 CCSC(C)CC(=O)CC(C)C 1458a_200011311441_100000210624 [0,1,0,0,0,1|2,0,0]=4 4436 B11R0.1 CCSC(C)CC(=O)CC(C)O 1458a_200011311441_100011218427 [0,1,0,0,0,1|2,0,0]=4 4437 B11R0.1 COCC(=O)NC(C)CC(C)C 11a_100000692259_100000210968 [0,1,0,0,0,1|2,0,0]=4 4438 B11R0.1 COCC(=O)NC(C)CC(C)C 1626a_100000692259_100000210968 [0,1,0,0,0,1|2,0,0]=4 4439 B11R0.1 COCC(=O)NC(C)CC(C)C 240690a_100000692259_100000210968 [0,1,0,0,0,1|2,0,0]=4 4440 B11R0.1 COCC(=O)NC(C)CC(C)C 527a_100000692259_100000210968 [0,1,0,0,0,1|2,0,0]=4 4441 B11R0.1 COC[C@@H](C)NC(=O)CC(C)C 11a_100000764878_100000210554 [0,1,0,0,0,1|2,0,0]=4 4442 B11R0.1 COC[C@@H](C)NC(=O)CC(C)C 1626a_100000764878_100000210554 [0,1,0,0,0,1|2,0,0]=4 4443 B11R0.1 COC[C@@H](C)NC(=O)CC(C)C 240690a_100000764878_100000210554 [0,1,0,0,0,1|2,0,0]=4 4444 B11R0.1 COC[C@@H](C)NC(=O)CC(C)C 527a_100000764878_100000210554 [0,1,0,0,0,1|2,0,0]=4 4445 B11R0.1 COC[C@@H](C)NC(=O)C[C@@H](C)O 240690a_100000764878_100011933948 [0,1,0,0,0,1|2,0,0]=4 4446 B11R0.1 CSCC(=O)NC(C)CC(C)C 11a_100000692259_100000184570 [0,1,0,0,0,1|2,0,0]=4 4447 B11R0.1 CSCC(=O)NC(C)CC(C)C 1626a_100000692259_100000184570 [0,1,0,0,0,1|2,0,0]=4 4448 B11R0.1 CSCC(=O)NC(C)CC(C)C 240690a_100000692259_100000184570 [0,1,0,0,0,1|2,0,0]=4 4449 B11R0.1 CSCC(=O)NC(C)CC(C)C 527a_100000692259_100000184570 [0,1,0,0,0,1|2,0,0]=4 4450 B11R0.1 C[C@H](CCO)NC(=O)C[C@@H](C)O 240690a_100000706166_100011933948 [0,1,0,0,0,1|2,0,0]=4 4451 B11R0.5 C#CCCC(=O)CC(C)CCC 1458a_100000692101_100011216630 [0,1,0,0,0,1|1,0,1]=4 4452 B11R0.5 C#CCCC(=O)CC(C)CCC 1458a_100000748435_100000753159 [0,1,0,0,0,1|1,0,1]=4 4453 B11R0.5 C#CCCC(=O)NC(C)CCC 11a_100000741246_100000692101 [0,1,0,0,0,1|1,0,1]=4 4454 B11R0.5 C#CCCC(=O)NC(C)CCC 1626a_100000741246_100000692101 [0,1,0,0,0,1|1,0,1]=4 4455 B11R0.5 C#CCCC(=O)NC(C)CCC 240690a_100000741246_100000692101 [0,1,0,0,0,1|1,0,1]=4 4456 B11R0.5 C#CCCC(=O)NC(C)CCC 527a_100000741246_100000692101 [0,1,0,0,0,1|1,0,1]=4 4457 B11R0.5 C/C=C/CC(=O)CC(C)CCC 1458a_100000748435_100102629194 [0,1,0,0,0,1|1,0,1]=4 4458 B11R0.5 C=C(CCC)CC(=O)CCCC 1458a_100000138376_100000210211 [0,1,0,0,0,1|1,0,1]=4 4459 B11R0.5 C=C(CCC)CC(=O)CCCF 1458a_100000138376_100011934791 [0,1,0,0,0,1|1,0,1]=4 4460 B11R0.5 C=C(CCC)CC(=O)CCCO 1458a_100000138376_100011215043 [0,1,0,0,0,1|1,0,1]=4 4461 B11R0.5 C=C(CCC)CC(=O)CCOC 1458a_100000138376_100000233755 [0,1,0,0,0,1|1,0,1]=4 4462 B11R0.5 C=C(CCC)CC(=O)CCSC 1458a_100000138376_100000751147 [0,1,0,0,0,1|1,0,1]=4 4463 B11R0.5 C=C(CCC)CC(=O)NCCC 11a_100020643023_100000138376 [0,1,0,0,0,1|1,0,1]=4 4464 B11R0.5 C=C(CCC)CC(=O)NCCC 240690a_100020643023_100000138376 [0,1,0,0,0,1|1,0,1]=4 4465 B11R0.5 C=C(CCC)CC(=O)NCCC 527a_100020643023_100000138376 [0,1,0,0,0,1|1,0,1]=4 4466 B11R0.5 C=CCCC(=O)CC(C)CCC 1458a_100000748435_100000754431 [0,1,0,0,0,1|1,0,1]=4 4467 B11R0.5 C=CCCC(=O)CC(C)CCC 1458a_100000749702_100011216630 [0,1,0,0,0,1|1,0,1]=4 4468 B11R0.5 C=CCCC(=O)NC(C)CCC 11a_100000741246_100000749702 [0,1,0,0,0,1|1,0,1]=4 4469 B11R0.5 C=CCCC(=O)NC(C)CCC 1626a_100000741246_100000749702 [0,1,0,0,0,1|1,0,1]=4 4470 B11R0.5 C=CCCC(=O)NC(C)CCC 240690a_100000741246_100000749702 [0,1,0,0,0,1|1,0,1]=4 4471 B11R0.5 C=CCCC(=O)NC(C)CCC 527a_100000741246_100000749702 [0,1,0,0,0,1|1,0,1]=4 4472 B11R0.5 CC#CCC(=O)CC(C)CCC 1458a_100000748435_100000748600 [0,1,0,0,0,1|1,0,1]=4 4473 B11R0.5 CC=CCC(=O)CC(C)CCC 1458a_100000748435_100000070051 [0,1,0,0,0,1|1,0,1]=4 4474 B11R0.5 CC=CCC(=O)CC(C)CCC 1458a_100121576822_100011216630 [0,1,0,0,0,1|1,0,1]=4 4475 B11R0.5 CC=CCC(=O)NC(C)CCC 11a_100000741246_100121576822 [0,1,0,0,0,1|1,0,1]=4 4476 B11R0.5 CC=CCC(=O)NC(C)CCC 1626a_100000741246_100121576822 [0,1,0,0,0,1|1,0,1]=4 4477 B11R0.5 CC=CCC(=O)NC(C)CCC 240690a_100000741246_100121576822 [0,1,0,0,0,1|1,0,1]=4 4478 B11R0.5 CC=CCC(=O)NC(C)CCC 527a_100000741246_100121576822 [0,1,0,0,0,1|1,0,1]=4 4479 B11R0.5 CCC#CC(=O)CC(C)CCC 1458a_100011827653_100011216630 [0,1,0,0,0,1|1,0,1]=4 4480 B11R0.5 CCC=CC(=O)CC(C)CCC 1458a_100000212282_100011216630 [0,1,0,0,0,1|1,0,1]=4 4481 B11R0.5 CCC=CC(=O)NC(C)CCC 11a_100000741246_100000212282 [0,1,0,0,0,1|1,0,1]=4 4482 B11R0.5 CCC=CC(=O)NC(C)CCC 1626a_100000741246_100000212282 [0,1,0,0,0,1|1,0,1]=4 4483 B11R0.5 CCC=CC(=O)NC(C)CCC 240690a_100000741246_100000212282 [0,1,0,0,0,1|1,0,1]=4 4484 B11R0.5 CCCC(=CC(=O)CCCF)C 1458a_100020676950_100011934791 [0,1,0,0,0,1|1,0,1]=4 4485 B11R0.5 CCCC(=CC(=O)CCCO)C 1458a_100020676950_100011215043 [0,1,0,0,0,1|1,0,1]=4 4486 B11R0.5 CCCC(=CC(=O)CCOC)C 1458a_100020676950_100000233755 [0,1,0,0,0,1|1,0,1]=4 4487 B11R0.5 CCCC(=CC(=O)CCSC)C 1458a_100020676950_100000751147 [0,1,0,0,0,1|1,0,1]=4 4488 B11R0.5 CCCC(=O)CC(=O)CCOC 1458a_100000749529_100000747444 [0,1,0,0,0,1|0,0,2]=4 4489 B11R0.5 CCCC(=O)CC(=O)CCSC 1458a_100000174002_100000747444 [0,1,0,0,0,1|0,0,2]=4 4490 B11R0.5 CCCC(=O)CC(=O)COCC 1458a_100000211967_100000747444 [0,1,0,0,0,1|0,0,2]=4 4491 B11R0.5 CCCC(=O)CC(=O)CSCC 1458a_100000230394_100000747444 [0,1,0,0,0,1|0,0,2]=4 4492 B11R0.5 CCCC(=O)CN(C)CCCO 2230a_100000213112_100000747444 [0,1,0,0,0,1|2,0,0]=4 4493 B11R0.5 CCCC(=O)CN(C)CCCO 269982a_100000213112_100000747444 [0,1,0,0,0,1|2,0,0]=4 4494 B11R0.5 CCCC(=O)CN(C)CCOC 2230a_100000743101_100000747444 [0,1,0,0,0,1|2,0,0]=4 4495 B11R0.5 CCCC(=O)CN(C)CCOC 269982a_100000743101_100000747444 [0,1,0,0,0,1|2,0,0]=4 4496 B11R0.5 CCCC(=O)CN(C)CCSC 2230a_100000686725_100000747444 [0,1,0,0,0,1|2,0,0]=4 4497 B11R0.5 CCCC(=O)CN(C)CCSC 269982a_100000686725_100000747444 [0,1,0,0,0,1|2,0,0]=4 4498 B11R0.5 CCCC(C)CC(=O)CCC#N 1458a_100000748435_100011215226 [0,1,0,0,0,1|1,0,1]=4 4499 B11R0.5 CCCC(C)CC(=O)CCC#N 1458a_100011934036_100011216630 [0,1,0,0,0,1|1,0,1]=4 4500 B11R0.5 CCCC(C)CC(=O)CCCF 1458a_100000748435_100011934791 [0,1,0,0,0,1|1,0,0]=3 4501 B11R0.5 CCCC(C)CC(=O)CCCO 1458a_100000748435_100011215043 [0,1,0,0,0,1|1,0,0]=3 4502 B11R0.5 CCCC(C)CC(=O)CCOC 1458a_100000748435_100000233755 [0,1,0,0,0,1|1,0,0]=3 4503 B11R0.5 CCCC(C)CC(=O)CCOC 1458a_100000749529_100011216630 [0,1,0,0,0,1|1,0,0]=3 4504 B11R0.5 CCCC(C)CC(=O)CCSC 1458a_100000174002_100011216630 [0,1,0,0,0,1|1,0,0]=3 4505 B11R0.5 CCCC(C)CC(=O)CCSC 1458a_100000748435_100000751147 [0,1,0,0,0,1|1,0,0]=3 4506 B11R0.5 CCCC(C)CC(=O)COCC 1458a_100000211967_100011216630 [0,1,0,0,0,1|1,0,0]=3 4507 B11R0.5 CCCC(C)CC(=O)CSCC 1458a_100000230394_100011216630 [0,1,0,0,0,1|1,0,0]=3 4508 B11R0.5 CCCC(C)CC(=O)NCCF 11a_100000724931_100000748435 [0,1,0,0,0,1|2,0,0]=4 4509 B11R0.5 CCCC(C)CC(=O)NCCF 1626a_100000724931_100000748435 [0,1,0,0,0,1|2,0,0]=4 4510 B11R0.5 CCCC(C)CC(=O)NCCF 240690a_100000724931_100000748435 [0,1,0,0,0,1|2,0,0]=4 4511 B11R0.5 CCCC(C)CC(=O)NCCF 527a_100000724931_100000748435 [0,1,0,0,0,1|2,0,0]=4 4512 B11R0.5 CCCC(C)CC(=O)NCCO 240690a_100000210304_100000748435 [0,1,0,0,0,1|2,0,0]=4 4513 B11R0.5 CCCC(C)CC(=O)NCCO 527a_100000210304_100000748435 [0,1,0,0,0,1|2,0,0]=4 4514 B11R0.5 CCCC(C)CC(=O)NNCC 22a_100000756455_100000748435 [0,1,0,0,0,1|2,0,0]=4 4515 B11R0.5 CCCC(C)NC(=O)CCC#N 11a_100000741246_100011934036 [0,1,0,0,0,1|1,0,1]=4 4516 B11R0.5 CCCC(C)NC(=O)CCC#N 1626a_100000741246_100011934036 [0,1,0,0,0,1|1,0,1]=4 4517 B11R0.5 CCCC(C)NC(=O)CCC#N 240690a_100000741246_100011934036 [0,1,0,0,0,1|1,0,1]=4 4518 B11R0.5 CCCC(C)NC(=O)CCC#N 527a_100000741246_100011934036 [0,1,0,0,0,1|1,0,1]=4 4519 B11R0.5 CCCC(C)NC(=O)CCOC 11a_100000741246_100000749529 [0,1,0,0,0,1|1,0,0]=3 4520 B11R0.5 CCCC(C)NC(=O)CCOC 1626a_100000741246_100000749529 [0,1,0,0,0,1|1,0,0]=3 4521 B11R0.5 CCCC(C)NC(=O)CCOC 240690a_100000741246_100000749529 [0,1,0,0,0,1|1,0,0]=3 4522 B11R0.5 CCCC(C)NC(=O)CCOC 527a_100000741246_100000749529 [0,1,0,0,0,1|1,0,0]=3 4523 B11R0.5 CCCC(C)NC(=O)CCSC 11a_100000741246_100000174002 [0,1,0,0,0,1|1,0,0]=3 4524 B11R0.5 CCCC(C)NC(=O)CCSC 1626a_100000741246_100000174002 [0,1,0,0,0,1|1,0,0]=3 4525 B11R0.5 CCCC(C)NC(=O)CCSC 240690a_100000741246_100000174002 [0,1,0,0,0,1|1,0,0]=3 4526 B11R0.5 CCCC(C)NC(=O)CCSC 527a_100000741246_100000174002 [0,1,0,0,0,1|1,0,0]=3 4527 B11R0.5 CCCC(C)NC(=O)COCC 11a_100000741246_100000211967 [0,1,0,0,0,1|1,0,0]=3 4528 B11R0.5 CCCC(C)NC(=O)COCC 1626a_100000741246_100000211967 [0,1,0,0,0,1|1,0,0]=3 4529 B11R0.5 CCCC(C)NC(=O)COCC 240690a_100000741246_100000211967 [0,1,0,0,0,1|1,0,0]=3 4530 B11R0.5 CCCC(C)NC(=O)COCC 527a_100000741246_100000211967 [0,1,0,0,0,1|1,0,0]=3 4531 B11R0.5 CCCC(C)NC(=O)CSCC 11a_100000741246_100000230394 [0,1,0,0,0,1|1,0,0]=3 4532 B11R0.5 CCCC(C)NC(=O)CSCC 1626a_100000741246_100000230394 [0,1,0,0,0,1|1,0,0]=3 4533 B11R0.5 CCCC(C)NC(=O)CSCC 240690a_100000741246_100000230394 [0,1,0,0,0,1|1,0,0]=3 4534 B11R0.5 CCCC(C)NC(=O)CSCC 527a_100000741246_100000230394 [0,1,0,0,0,1|1,0,0]=3 4535 B11R0.5 CCCC(C)NC(=O)NCCF 2708a_100000741246_100000724931 [0,1,0,0,0,1|2,0,0]=4 4536 B11R0.5 CCCC(C)NC(=O)NCCF 273464a_100000741246_100000724931 [0,1,0,0,0,1|2,0,0]=4 4537 B11R0.5 CCCC(C)NC(=O)NCCF 512a_100000741246_100000724931 [0,1,0,0,0,1|2,0,0]=4 4538 B11R0.5 CCCC(C)NC(=O)NCCO 2708a_100000741246_100000210304 [0,1,0,0,0,1|2,0,0]=4 4539 B11R0.5 CCCC(C)NC(=O)NCCO 273464a_100000741246_100000210304 [0,1,0,0,0,1|2,0,0]=4 4540 B11R0.5 CCCC(C)NC(=O)NCCO 512a_100000741246_100000210304 [0,1,0,0,0,1|2,0,0]=4 4541 B11R0.5 CCCC(C)NC(=O)NNCC 273464a_100000741246_100000756455 [0,1,0,0,0,1|2,0,0]=4 4542 B11R0.5 CCCC(C)NC(=O)NNCC 512a_100000741246_100000756455 [0,1,0,0,0,1|2,0,0]=4 4543 B11R0.5 CCCC(C)NC(=O)NNCC 512a_100000756455_100000741246 [0,1,0,0,0,1|2,0,0]=4 4544 B11R0.5 CCCCC(=O)C=C(C)CCC 1458a_100020676950_100000210211 [0,1,0,0,0,1|1,0,1]=4 4545 B11R0.5 CCCCC(=O)CC(=O)CCC 1458a_100000210183_100000747444 [0,1,0,0,0,1|0,0,2]=4 4546 B11R0.5 CCCCC(=O)CC(C)CCC 1458a_100000210183_100011216630 [0,1,0,0,0,1|1,0,0]=3 4547 B11R0.5 CCCCC(=O)CC(C)CCC 1458a_100000748435_100000210211 [0,1,0,0,0,1|1,0,0]=3 4548 B11R0.5 CCCCC(=O)CC(C)SCC 1458a_200011311441_100000210211 [0,1,0,0,0,1|2,0,0]=4 4549 B11R0.5 CCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210211 [0,1,0,0,0,1|1,0,1]=4 4550 B11R0.5 CCCCC(=O)NC(C)CCC 11a_100000741246_100000210183 [0,1,0,0,0,1|1,0,0]=3 4551 B11R0.5 CCCCC(=O)NC(C)CCC 1626a_100000741246_100000210183 [0,1,0,0,0,1|1,0,0]=3 4552 B11R0.5 CCCCC(=O)NC(C)CCC 240690a_100000741246_100000210183 [0,1,0,0,0,1|1,0,0]=3 4553 B11R0.5 CCCCC(=O)NC(C)CCC 527a_100000741246_100000210183 [0,1,0,0,0,1|1,0,0]=3 4554 B11R0.5 CCCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210183 [0,1,0,0,0,1|2,0,0]=4 4555 B11R0.5 CCCCC(=O)N[C@H](C)CCO 527a_100000706166_100000210183 [0,1,0,0,0,1|2,0,0]=4 4556 B11R0.5 CCCCC(=O)N[C@H](C)COC 11a_100000764878_100000210183 [0,1,0,0,0,1|2,0,0]=4 4557 B11R0.5 CCCCC(=O)N[C@H](C)COC 1626a_100000764878_100000210183 [0,1,0,0,0,1|2,0,0]=4 4558 B11R0.5 CCCCC(=O)N[C@H](C)COC 240690a_100000764878_100000210183 [0,1,0,0,0,1|2,0,0]=4 4559 B11R0.5 CCCCC(=O)N[C@H](C)COC 527a_100000764878_100000210183 [0,1,0,0,0,1|2,0,0]=4 4560 B11R0.5 CCCCC(C)NC(=O)CCC 11a_100000126638_100000211992 [0,1,0,0,0,1|1,0,0]=3 4561 B11R0.5 CCCCC(C)NC(=O)CCC 1626a_100000126638_100000211992 [0,1,0,0,0,1|1,0,0]=3 4562 B11R0.5 CCCCC(C)NC(=O)CCC 240690a_100000126638_100000211992 [0,1,0,0,0,1|1,0,0]=3 4563 B11R0.5 CCCCC(C)NC(=O)CCC 527a_100000126638_100000211992 [0,1,0,0,0,1|1,0,0]=3 4564 B11R0.5 CCCCC(C)NC(=O)CCO 240690a_100000126638_100011216618 [0,1,0,0,0,1|2,0,0]=4 4565 B11R0.5 CCCCC(C)NC(=O)COC 11a_100000126638_100000210968 [0,1,0,0,0,1|2,0,0]=4 4566 B11R0.5 CCCCC(C)NC(=O)COC 1626a_100000126638_100000210968 [0,1,0,0,0,1|2,0,0]=4 4567 B11R0.5 CCCCC(C)NC(=O)COC 240690a_100000126638_100000210968 [0,1,0,0,0,1|2,0,0]=4 4568 B11R0.5 CCCCC(C)NC(=O)COC 527a_100000126638_100000210968 [0,1,0,0,0,1|2,0,0]=4 4569 B11R0.5 CCCCC(C)NC(=O)CSC 11a_100000126638_100000184570 [0,1,0,0,0,1|2,0,0]=4 4570 B11R0.5 CCCCC(C)NC(=O)CSC 1626a_100000126638_100000184570 [0,1,0,0,0,1|2,0,0]=4 4571 B11R0.5 CCCCC(C)NC(=O)CSC 240690a_100000126638_100000184570 [0,1,0,0,0,1|2,0,0]=4 4572 B11R0.5 CCCCC(C)NC(=O)CSC 527a_100000126638_100000184570 [0,1,0,0,0,1|2,0,0]=4 4573 B11R0.5 CCCCC(C)NC(=O)NCC 2708a_100000126638_100015525214 [0,1,0,0,0,1|2,0,0]=4 4574 B11R0.5 CCCCC(C)NC(=O)NCC 2708a_100015525214_100000126638 [0,1,0,0,0,1|2,0,0]=4 4575 B11R0.5 CCCCC(C)NC(=O)NCC 273464a_100000126638_100015525214 [0,1,0,0,0,1|2,0,0]=4 4576 B11R0.5 CCCCC(C)NC(=O)NCC 273464a_100015525214_100000126638 [0,1,0,0,0,1|2,0,0]=4 4577 B11R0.5 CCCCC(C)NC(=O)NCC 512a_100000126638_100015525214 [0,1,0,0,0,1|2,0,0]=4 4578 B11R0.5 CCCCC(C)NC(=O)NCC 512a_100015525214_100000126638 [0,1,0,0,0,1|2,0,0]=4 4579 B11R0.5 CCCCN(C)CC(=O)CCC 2230a_100000207549_100000747444 [0,1,0,0,0,1|2,0,0]=4 4580 B11R0.5 CCCCN(C)CC(=O)CCC 269982a_100000207549_100000747444 [0,1,0,0,0,1|2,0,0]=4 4581 B11R0.5 CCCNC(=O)C=C(C)CCC 11a_100020643023_100020676950 [0,1,0,0,0,1|1,0,1]=4 4582 B11R0.5 CCCNC(=O)C=C(C)CCC 1626a_100020643023_100020676950 [0,1,0,0,0,1|1,0,1]=4 4583 B11R0.5 CCCNC(=O)C=C(C)CCC 240690a_100020643023_100020676950 [0,1,0,0,0,1|1,0,1]=4 4584 B11R0.5 CCCNC(=O)CC(=O)CCC 1458a_100000211992_100000183358 [0,1,0,0,0,1|0,0,2]=4 4585 B11R0.5 CCCNC(=O)CC(C)CCC 11a_100020643023_100000748435 [0,1,0,0,0,1|1,0,0]=3 4586 B11R0.5 CCCNC(=O)CC(C)CCC 1626a_100020643023_100000748435 [0,1,0,0,0,1|1,0,0]=3 4587 B11R0.5 CCCNC(=O)CC(C)CCC 240690a_100020643023_100000748435 [0,1,0,0,0,1|1,0,0]=3 4588 B11R0.5 CCCNC(=O)CC(C)CCC 527a_100020643023_100000748435 [0,1,0,0,0,1|1,0,0]=3 4589 B11R0.5 CCCNC(=O)CC(C)SCC 11a_100020643023_200011311441 [0,1,0,0,0,1|2,0,0]=4 4590 B11R0.5 CCCNC(=O)CC(C)SCC 1626a_100020643023_200011311441 [0,1,0,0,0,1|2,0,0]=4 4591 B11R0.5 CCCNC(=O)CC(C)SCC 240690a_100020643023_200011311441 [0,1,0,0,0,1|2,0,0]=4 4592 B11R0.5 CCCNC(=O)CC(C)SCC 527a_100020643023_200011311441 [0,1,0,0,0,1|2,0,0]=4 4593 B11R0.5 CCCNC(=O)CN(C)CCC 2230a_100000684209_100000210303 [0,1,0,0,0,1|2,0,0]=4 4594 B11R0.5 CCCNC(=O)CN(C)CCC 2230a_100000747261_100000183358 [0,1,0,0,0,1|2,0,0]=4 4595 B11R0.5 CCCNC(=O)CN(C)CCC 269982a_100000684209_100000210303 [0,1,0,0,0,1|2,0,0]=4 4596 B11R0.5 CCCNC(=O)CN(C)CCC 269982a_100000747261_100000183358 [0,1,0,0,0,1|2,0,0]=4 4597 B11R0.5 CCCNC(=O)CS(=O)CCC 11a_100020643023_100011387404 [0,1,0,0,0,1|1,0,1]=4 4598 B11R0.5 CCCNC(=O)CS(=O)CCC 1626a_100020643023_100011387404 [0,1,0,0,0,1|1,0,1]=4 4599 B11R0.5 CCCNC(=O)CS(=O)CCC 240690a_100020643023_100011387404 [0,1,0,0,0,1|1,0,1]=4 4600 B11R0.5 CCCNC(=O)CS(=O)CCC 527a_100020643023_100011387404 [0,1,0,0,0,1|1,0,1]=4 4601 B11R0.5 CCCNC(=O)NC(C)CCC 2708a_100000741246_100020643023 [0,1,0,0,0,1|1,0,0]=3 4602 B11R0.5 CCCNC(=O)NC(C)CCC 2708a_100020643023_100000741246 [0,1,0,0,0,1|1,0,0]=3 4603 B11R0.5 CCCNC(=O)NC(C)CCC 273464a_100000741246_100020643023 [0,1,0,0,0,1|1,0,0]=3 4604 B11R0.5 CCCNC(=O)NC(C)CCC 512a_100000741246_100020643023 [0,1,0,0,0,1|1,0,0]=3 4605 B11R0.5 CCCNC(=O)NC(C)CCC 512a_100020643023_100000741246 [0,1,0,0,0,1|1,0,0]=3 4606 B11R0.5 CCCNC(=O)N[C@H](C)CCO 2708a_100020643023_100000706166 [0,1,0,0,0,1|2,0,0]=4 4607 B11R0.5 CCCNC(=O)N[C@H](C)CCO 273464a_100000706166_100020643023 [0,1,0,0,0,1|2,0,0]=4 4608 B11R0.5 CCCNC(=O)N[C@H](C)CCO 512a_100000706166_100020643023 [0,1,0,0,0,1|2,0,0]=4 4609 B11R0.5 CCCNC(=O)N[C@H](C)CCO 512a_100020643023_100000706166 [0,1,0,0,0,1|2,0,0]=4 4610 B11R0.5 CCCNC(=O)N[C@H](C)COC 2708a_100000764878_100020643023 [0,1,0,0,0,1|2,0,0]=4 4611 B11R0.5 CCCNC(=O)N[C@H](C)COC 2708a_100020643023_100000764878 [0,1,0,0,0,1|2,0,0]=4 4612 B11R0.5 CCCNC(=O)N[C@H](C)COC 273464a_100000764878_100020643023 [0,1,0,0,0,1|2,0,0]=4 4613 B11R0.5 CCCNC(=O)N[C@H](C)COC 273464a_100020643023_100000764878 [0,1,0,0,0,1|2,0,0]=4 4614 B11R0.5 CCCNC(=O)N[C@H](C)COC 512a_100000764878_100020643023 [0,1,0,0,0,1|2,0,0]=4 4615 B11R0.5 CCCNC(=O)N[C@H](C)COC 512a_100020643023_100000764878 [0,1,0,0,0,1|2,0,0]=4 4616 B11R0.5 CCCOC(=O)CC(=O)CCC 1458a_100000211992_200011215008 [0,1,0,0,0,1|0,0,2]=4 4617 B11R0.5 CCCOC(=O)CN(C)CCC 2230a_100000747261_200011215008 [0,1,0,0,0,1|2,0,0]=4 4618 B11R0.5 CCCOC(=O)CN(C)CCC 269982a_100000747261_200011215008 [0,1,0,0,0,1|2,0,0]=4 4619 B11R0.5 CCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210303 [0,1,0,0,0,1|2,0,0]=4 4620 B11R0.5 CCCS(=O)CC(=O)CCCF 1458a_100011387404_100011934791 [0,1,0,0,0,1|1,0,1]=4 4621 B11R0.5 CCCS(=O)CC(=O)CCCO 1458a_100011387404_100011215043 [0,1,0,0,0,1|1,0,1]=4 4622 B11R0.5 CCCS(=O)CC(=O)CCOC 1458a_100011387404_100000233755 [0,1,0,0,0,1|1,0,1]=4 4623 B11R0.5 CCCS(=O)CC(=O)CCSC 1458a_100011387404_100000751147 [0,1,0,0,0,1|1,0,1]=4 4624 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100000210303_100009817359 [0,1,0,0,0,1|2,0,0]=4 4625 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100009817359_100000210303 [0,1,0,0,0,1|2,0,0]=4 4626 B11R0.5 CCCSC(C)OC(=O)OCC 62a_100000036008_100000210303 [0,1,0,0,0,1|2,0,0]=4 4627 B11R0.5 CCCSC(C)OC(=O)OCC 62a_100000210303_100000036008 [0,1,0,0,0,1|2,0,0]=4 4628 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000210202_100000688340 [0,1,0,0,0,1|1,0,0]=3 4629 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000688340_100000210202 [0,1,0,0,0,1|1,0,0]=3 4630 B11R0.5 CCOC(=O)C[C@H](O)CSCF 62a_100000688340_100015361967 [0,1,0,0,0,1|2,0,0]=4 4631 B11R0.5 CCOC(=O)C[C@H](O)CSCF 62a_100015361967_100000688340 [0,1,0,0,0,1|2,0,0]=4 4632 B11R0.5 CCOCC(=O)N[C@H](C)CCO 240690a_100000706166_100000211967 [0,1,0,0,0,1|2,0,0]=4 4633 B11R0.5 CCOCC(=O)N[C@H](C)CCO 527a_100000706166_100000211967 [0,1,0,0,0,1|2,0,0]=4 4634 B11R0.5 CCOCC(=O)N[C@H](C)COC 11a_100000764878_100000211967 [0,1,0,0,0,1|2,0,0]=4 4635 B11R0.5 CCOCC(=O)N[C@H](C)COC 1626a_100000764878_100000211967 [0,1,0,0,0,1|2,0,0]=4 4636 B11R0.5 CCOCC(=O)N[C@H](C)COC 240690a_100000764878_100000211967 [0,1,0,0,0,1|2,0,0]=4 4637 B11R0.5 CCOCC(=O)N[C@H](C)COC 527a_100000764878_100000211967 [0,1,0,0,0,1|2,0,0]=4 4638 B11R0.5 CCOC[C@@H](O)CC(=O)OCC 34a_100121572206_100000688340 [0,1,0,0,0,1|1,0,0]=3 4639 B11R0.5 CCSC(C)CC(=O)CCCF 1458a_200011311441_100011934791 [0,1,0,0,0,1|2,0,0]=4 4640 B11R0.5 CCSC(C)CC(=O)CCCO 1458a_200011311441_100011215043 [0,1,0,0,0,1|2,0,0]=4 4641 B11R0.5 CCSC(C)CC(=O)CCOC 1458a_200011311441_100000233755 [0,1,0,0,0,1|2,0,0]=4 4642 B11R0.5 CCSC(C)CC(=O)CCSC 1458a_200011311441_100000751147 [0,1,0,0,0,1|2,0,0]=4 4643 B11R0.5 CCSCC(=O)N[C@H](C)CCO 240690a_100000706166_100000230394 [0,1,0,0,0,1|2,0,0]=4 4644 B11R0.5 CCSCC(=O)N[C@H](C)CCO 527a_100000706166_100000230394 [0,1,0,0,0,1|2,0,0]=4 4645 B11R0.5 CCSCC(=O)N[C@H](C)COC 11a_100000764878_100000230394 [0,1,0,0,0,1|2,0,0]=4 4646 B11R0.5 CCSCC(=O)N[C@H](C)COC 1626a_100000764878_100000230394 [0,1,0,0,0,1|2,0,0]=4 4647 B11R0.5 CCSCC(=O)N[C@H](C)COC 240690a_100000764878_100000230394 [0,1,0,0,0,1|2,0,0]=4 4648 B11R0.5 CCSCC(=O)N[C@H](C)COC 527a_100000764878_100000230394 [0,1,0,0,0,1|2,0,0]=4 4649 B11R0.5 COCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000749529 [0,1,0,0,0,1|2,0,0]=4 4650 B11R0.5 COCCC(=O)N[C@H](C)CCO 527a_100000706166_100000749529 [0,1,0,0,0,1|2,0,0]=4 4651 B11R0.5 COCCC(=O)N[C@H](C)COC 11a_100000764878_100000749529 [0,1,0,0,0,1|2,0,0]=4 4652 B11R0.5 COCCC(=O)N[C@H](C)COC 1626a_100000764878_100000749529 [0,1,0,0,0,1|2,0,0]=4 4653 B11R0.5 COCCC(=O)N[C@H](C)COC 240690a_100000764878_100000749529 [0,1,0,0,0,1|2,0,0]=4 4654 B11R0.5 COCCC(=O)N[C@H](C)COC 527a_100000764878_100000749529 [0,1,0,0,0,1|2,0,0]=4 4655 B11R0.5 COC[C@@H](C)NC(=O)CCSC 11a_100000764878_100000174002 [0,1,0,0,0,1|2,0,0]=4 4656 B11R0.5 COC[C@@H](C)NC(=O)CCSC 1626a_100000764878_100000174002 [0,1,0,0,0,1|2,0,0]=4 4657 B11R0.5 COC[C@@H](C)NC(=O)CCSC 240690a_100000764878_100000174002 [0,1,0,0,0,1|2,0,0]=4 4658 B11R0.5 COC[C@@H](C)NC(=O)CCSC 527a_100000764878_100000174002 [0,1,0,0,0,1|2,0,0]=4 4659 B11R0.5 CSCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000174002 [0,1,0,0,0,1|2,0,0]=4 4660 B11R0.5 CSCCC(=O)N[C@H](C)CCO 527a_100000706166_100000174002 [0,1,0,0,0,1|2,0,0]=4 4661 B11R0.177 CCCC(=O)N(C)C(C)CCO 240690a_100000731037_100000211992 [0,1,0,0,0,1|2,0,0]=4 4662 B11R0.177 CCCC(=O)N(C)C(C)CCO 527a_100000731037_100000211992 [0,1,0,0,0,1|2,0,0]=4 4663 B11R0.177 CCCC(C)C(=O)C(=O)NCC 1458a_200011297158_100000766640 [0,1,0,0,0,1|2,0,0]=4 4664 B11R0.177 CCCC(C)C(=O)[C@@H](O)CCC 1458a_100009822183_100000766640 [0,1,0,0,0,1|1,0,1]=4 4665 B11R0.177 CCC[C@H](O)C(=O)N(C)CCC 240690a_100000747261_100009822183 [0,1,0,0,0,1|2,0,0]=4 4666 B11R0.182 C#CCC(=O)N[C@H](CO)CCC 527a_100000732646_100011220946 [0,1,0,0,0,1|0,0,2]=4 4667 B11R0.182 C=CCC(=O)N[C@H](CO)CCC 240690a_100000732646_100000210193 [0,1,0,0,0,1|0,0,2]=4 4668 B11R0.182 C=CCC(=O)N[C@H](CO)CCC 527a_100000732646_100000210193 [0,1,0,0,0,1|0,0,2]=4 4669 B11R0.182 C=CC[C@H](CO)NC(=O)CCC 240690a_100020615467_100000211992 [0,1,0,0,0,1|0,0,2]=4 4670 B11R0.182 C=CC[C@H](CO)NC(=O)CCC 527a_100020615467_100000211992 [0,1,0,0,0,1|0,0,2]=4 4671 B11R0.182 CC=CC(=O)N[C@H](CO)CCC 240690a_100000732646_100000210699 [0,1,0,0,0,1|0,0,2]=4 4672 B11R0.182 CCCC(=O)CN(CC)CCC 2230a_100000226822_100000747444 [0,1,0,0,0,1|2,0,0]=4 4673 B11R0.182 CCCC(=O)CN(CC)CCC 269982a_100000226822_100000747444 [0,1,0,0,0,1|2,0,0]=4 4674 B11R0.182 CCCC(=O)NC(CC)CCC 11a_100000747048_100000211992 [0,1,0,0,0,1|1,0,0]=3 4675 B11R0.182 CCCC(=O)NC(CC)CCC 1626a_100000747048_100000211992 [0,1,0,0,0,1|1,0,0]=3 4676 B11R0.182 CCCC(=O)NC(CC)CCC 240690a_100000747048_100000211992 [0,1,0,0,0,1|1,0,0]=3 4677 B11R0.182 CCCC(=O)NC(CC)CCC 527a_100000747048_100000211992 [0,1,0,0,0,1|1,0,0]=3 4678 B11R0.182 CCCC(=O)NC(CC)COC 11a_100000757820_100000211992 [0,1,0,0,0,1|2,0,0]=4 4679 B11R0.182 CCCC(=O)NC(CC)COC 1626a_100000757820_100000211992 [0,1,0,0,0,1|2,0,0]=4 4680 B11R0.182 CCCC(=O)NC(CC)COC 240690a_100000757820_100000211992 [0,1,0,0,0,1|2,0,0]=4 4681 B11R0.182 CCCC(=O)NC(CC)COC 527a_100000757820_100000211992 [0,1,0,0,0,1|2,0,0]=4 4682 B11R0.182 CCCC(=O)NC(CO)COC 240690a_100000724102_100000211992 [0,1,0,0,0,1|1,0,0]=3 4683 B11R0.182 CCCC(=O)NC(CO)COC 527a_100000724102_100000211992 [0,1,0,0,0,1|1,0,0]=3 4684 B11R0.182 CCCC(=O)N[C@H](CO)CCC 240690a_100000732646_100000211992 [0,1,0,0,0,1|0,0,0]=2 4685 B11R0.182 CCCC(=O)N[C@H](CO)CCC 527a_100000732646_100000211992 [0,1,0,0,0,1|0,0,0]=2 4686 B11R0.182 CCCC(C)N[C@H](CO)CCC 2230a_100000732646_100000766640 [0,1,0,0,0,1|1,0,1]=4 4687 B11R0.182 CCCC(C)N[C@H](CO)CCC 34a_100000732646_100000766640 [0,1,0,0,0,1|1,0,1]=4 4688 B11R0.182 CCCC(CC(=O)OCC)OC 7a_100011216533_200000210301 [0,1,0,0,0,1|1,0,0]=3 4689 B11R0.182 CCCC(CC(=O)OCC)O[13CH3] 7a_100011216533_200025704644 [0,1,0,0,0,1|1,0,0]=3 4690 B11R0.182 CCCC(CC)NC(=O)CCO 240690a_100000747048_100011216618 [0,1,0,0,0,1|2,0,0]=4 4691 B11R0.182 CCCC(CC)NC(=O)COC 11a_100000747048_100000210968 [0,1,0,0,0,1|2,0,0]=4 4692 B11R0.182 CCCC(CC)NC(=O)COC 1626a_100000747048_100000210968 [0,1,0,0,0,1|2,0,0]=4 4693 B11R0.182 CCCC(CC)NC(=O)COC 240690a_100000747048_100000210968 [0,1,0,0,0,1|2,0,0]=4 4694 B11R0.182 CCCC(CC)NC(=O)COC 527a_100000747048_100000210968 [0,1,0,0,0,1|2,0,0]=4 4695 B11R0.182 CCCC(CC)NC(=O)CSC 11a_100000747048_100000184570 [0,1,0,0,0,1|2,0,0]=4 4696 B11R0.182 CCCC(CC)NC(=O)CSC 1626a_100000747048_100000184570 [0,1,0,0,0,1|2,0,0]=4 4697 B11R0.182 CCCC(CC)NC(=O)CSC 240690a_100000747048_100000184570 [0,1,0,0,0,1|2,0,0]=4 4698 B11R0.182 CCCC(CC)NC(=O)CSC 527a_100000747048_100000184570 [0,1,0,0,0,1|2,0,0]=4 4699 B11R0.182 CCCC(CC)NC(=O)NCC 2708a_100000747048_100015525214 [0,1,0,0,0,1|2,0,0]=4 4700 B11R0.182 CCCC(CC)NC(=O)NCC 2708a_100015525214_100000747048 [0,1,0,0,0,1|2,0,0]=4 4701 B11R0.182 CCCC(CC)NC(=O)NCC 273464a_100000747048_100015525214 [0,1,0,0,0,1|2,0,0]=4 4702 B11R0.182 CCCC(CC)NC(=O)NCC 273464a_100015525214_100000747048 [0,1,0,0,0,1|2,0,0]=4 4703 B11R0.182 CCCC(CC)NC(=O)NCC 512a_100000747048_100015525214 [0,1,0,0,0,1|2,0,0]=4 4704 B11R0.182 CCCC(CC)NC(=O)NCC 512a_100015525214_100000747048 [0,1,0,0,0,1|2,0,0]=4 4705 B11R0.182 CCC[C@@H](CO)NC(=O)CC#N 240690a_100000732646_100051588842 [0,1,0,0,0,1|1,0,1]=4 4706 B11R0.182 CCC[C@@H](CO)NC(=O)CCO 240690a_100000732646_100011216618 [0,1,0,0,0,1|1,0,0]=3 4707 B11R0.182 CCC[C@@H](CO)NC(=O)COC 240690a_100000732646_100000210968 [0,1,0,0,0,1|1,0,0]=3 4708 B11R0.182 CCC[C@@H](CO)NC(=O)COC 527a_100000732646_100000210968 [0,1,0,0,0,1|1,0,0]=3 4709 B11R0.182 CCC[C@@H](CO)NC(=O)CSC 240690a_100000732646_100000184570 [0,1,0,0,0,1|1,0,0]=3 4710 B11R0.182 CCC[C@@H](CO)NC(=O)CSC 527a_100000732646_100000184570 [0,1,0,0,0,1|1,0,0]=3 4711 B11R0.182 CCC[C@@H](CO)NC(=O)NCC 2708a_100015525214_100000732646 [0,1,0,0,0,1|1,0,0]=3 4712 B11R0.182 CCC[C@@H](CO)NC(=O)NCC 273464a_100000732646_100015525214 [0,1,0,0,0,1|1,0,0]=3 4713 B11R0.182 CCC[C@@H](CO)NC(=O)NCC 273464a_100015525214_100000732646 [0,1,0,0,0,1|1,0,0]=3 4714 B11R0.182 CCC[C@@H](CO)NC(=O)NCC 512a_100000732646_100015525214 [0,1,0,0,0,1|1,0,0]=3 4715 B11R0.182 CCC[C@@H](CO)NC(=O)NCC 512a_100015525214_100000732646 [0,1,0,0,0,1|1,0,0]=3 4716 B11R0.182 CCC[C@@H](CO)NC(=O)NNC 273464a_100000732646_100016993582 [0,1,0,0,0,1|2,0,0]=4 4717 B11R0.182 CCC[C@@H](CO)NC(=O)NNC 512a_100000732646_100016993582 [0,1,0,0,0,1|2,0,0]=4 4718 B11R0.182 CCC[C@@H](CO)NC(=O)NNC 512a_100016993582_100000732646 [0,1,0,0,0,1|2,0,0]=4 4719 B11R0.182 CCNC(=O)NC(CO)COC 2708a_100015525214_100000724102 [0,1,0,0,0,1|2,0,0]=4 4720 B11R0.182 CCNC(=O)NC(CO)COC 273464a_100000724102_100015525214 [0,1,0,0,0,1|2,0,0]=4 4721 B11R0.182 CCNC(=O)NC(CO)COC 273464a_100015525214_100000724102 [0,1,0,0,0,1|2,0,0]=4 4722 B11R0.182 CCNC(=O)NC(CO)COC 512a_100015525214_100000724102 [0,1,0,0,0,1|2,0,0]=4 4723 B11R0.182 COCC(=O)NC(CO)COC 240690a_100000724102_100000210968 [0,1,0,0,0,1|2,0,0]=4 4724 B11R0.182 COCC(=O)NC(CO)COC 527a_100000724102_100000210968 [0,1,0,0,0,1|2,0,0]=4 4725 B11R0.182 COCC(CO)NC(=O)CCO 240690a_100000724102_100011216618 [0,1,0,0,0,1|2,0,0]=4 4726 B11R0.182 COCC(CO)NC(=O)CSC 240690a_100000724102_100000184570 [0,1,0,0,0,1|2,0,0]=4 4727 B11R0.182 COCC(CO)NC(=O)CSC 527a_100000724102_100000184570 [0,1,0,0,0,1|2,0,0]=4 4728 B11R0.187 C=C(CCC)CC(=O)C(C)CC 1458a_100000138376_100000758301 [0,1,0,0,0,1|1,0,1]=4 4729 B11R0.187 CCC(C)C(=O)N[C@H](C)CCO 240690a_100000706166_100011192722 [0,1,0,0,0,1|2,0,0]=4 4730 B11R0.187 CCC(C)C(=O)N[C@H](C)CCO 527a_100000706166_100011192722 [0,1,0,0,0,1|2,0,0]=4 4731 B11R0.187 CCC(C)C(=O)N[C@H](C)COC 11a_100000764878_100011192722 [0,1,0,0,0,1|2,0,0]=4 4732 B11R0.187 CCC(C)C(=O)N[C@H](C)COC 1626a_100000764878_100011192722 [0,1,0,0,0,1|2,0,0]=4 4733 B11R0.187 CCC(C)C(=O)N[C@H](C)COC 240690a_100000764878_100011192722 [0,1,0,0,0,1|2,0,0]=4 4734 B11R0.187 CCC(C)C(=O)N[C@H](C)COC 527a_100000764878_100011192722 [0,1,0,0,0,1|2,0,0]=4 4735 B11R0.187 CCC(O)C(=O)N[C@H](C)CCO 240690a_100000706166_100011196387 [0,1,0,0,0,1|2,0,0]=4 4736 B11R0.187 CCC(O)C(=O)N[C@H](C)COC 240690a_100000764878_100011196387 [0,1,0,0,0,1|2,0,0]=4 4737 B11R0.187 CCCC(=CC(=O)C(C)CC)C 1458a_100020676950_100000758301 [0,1,0,0,0,1|1,0,1]=4 4738 B11R0.187 CCCC(=O)CC(=O)C(C)CC 1458a_100011192722_100000747444 [0,1,0,0,0,1|0,0,2]=4 4739 B11R0.187 CCCC(=O)CC(=O)C(O)CC 1458a_100011196387_100000747444 [0,1,0,0,0,1|0,0,2]=4 4740 B11R0.187 CCCC(=O)CC(C)N(C)CC 1458a_200015187196_100000210303 [0,1,0,0,0,1|2,0,0]=4 4741 B11R0.187 CCCC(=O)CN(C)C(C)CC 2230a_100000741768_100000747444 [0,1,0,0,0,1|2,0,0]=4 4742 B11R0.187 CCCC(=O)CN(C)C(C)CC 269982a_100000741768_100000747444 [0,1,0,0,0,1|2,0,0]=4 4743 B11R0.187 CCCC(=O)NC(C)C(=O)CC 1458a_100000205598_100000210202 [0,1,0,0,0,1|1,0,1]=4 4744 B11R0.187 CCCC(C)CC(=O)C(C)CC 1458a_100000748435_100000758301 [0,1,0,0,0,1|1,0,0]=3 4745 B11R0.187 CCCC(C)CC(=O)C(C)CC 1458a_100011192722_100011216630 [0,1,0,0,0,1|1,0,0]=3 4746 B11R0.187 CCCC(C)CC(=O)C(C)OC 1458a_100000743197_100011216630 [0,1,0,0,0,1|2,0,0]=4 4747 B11R0.187 CCCC(C)CC(=O)C(C)SC 1458a_100000149566_100011216630 [0,1,0,0,0,1|2,0,0]=4 4748 B11R0.187 CCCC(C)CC(=O)C(O)CC 1458a_100011196387_100011216630 [0,1,0,0,0,1|1,0,0]=3 4749 B11R0.187 CCCC(C)CC(=O)C(O)CO 1458a_100011215603_100011216630 [0,1,0,0,0,1|2,0,0]=4 4750 B11R0.187 CCCC(C)CC(=O)N(C)CC 11a_100000225621_100000748435 [0,1,0,0,0,1|2,0,0]=4 4751 B11R0.187 CCCC(C)CC(=O)N(C)CC 1626a_100000225621_100000748435 [0,1,0,0,0,1|2,0,0]=4 4752 B11R0.187 CCCC(C)CC(=O)N(C)CC 240690a_100000225621_100000748435 [0,1,0,0,0,1|2,0,0]=4 4753 B11R0.187 CCCC(C)CC(=O)N(C)CC 527a_100000225621_100000748435 [0,1,0,0,0,1|2,0,0]=4 4754 B11R0.187 CCCC(C)NC(=O)C(C)CC 11a_100000741246_100011192722 [0,1,0,0,0,1|1,0,0]=3 4755 B11R0.187 CCCC(C)NC(=O)C(C)CC 1626a_100000741246_100011192722 [0,1,0,0,0,1|1,0,0]=3 4756 B11R0.187 CCCC(C)NC(=O)C(C)CC 240690a_100000741246_100011192722 [0,1,0,0,0,1|1,0,0]=3 4757 B11R0.187 CCCC(C)NC(=O)C(C)CC 527a_100000741246_100011192722 [0,1,0,0,0,1|1,0,0]=3 4758 B11R0.187 CCCC(C)NC(=O)C(C)NC 2230a_106832991635_100000735934 [0,1,0,0,0,1|2,0,0]=4 4759 B11R0.187 CCCC(C)NC(=O)C(C)NC 34a_100102657272_100000735934 [0,1,0,0,0,1|2,0,0]=4 4760 B11R0.187 CCCC(C)NC(=O)C(C)NC 7a_106832991635_100000735934 [0,1,0,0,0,1|2,0,0]=4 4761 B11R0.187 CCCC(C)NC(=O)C(C)OC 11a_100000741246_100000743197 [0,1,0,0,0,1|2,0,0]=4 4762 B11R0.187 CCCC(C)NC(=O)C(C)OC 1626a_100000741246_100000743197 [0,1,0,0,0,1|2,0,0]=4 4763 B11R0.187 CCCC(C)NC(=O)C(C)OC 240690a_100000741246_100000743197 [0,1,0,0,0,1|2,0,0]=4 4764 B11R0.187 CCCC(C)NC(=O)C(C)OC 34a_100138415774_100000735934 [0,1,0,0,0,1|2,0,0]=4 4765 B11R0.187 CCCC(C)NC(=O)C(C)OC 527a_100000741246_100000743197 [0,1,0,0,0,1|2,0,0]=4 4766 B11R0.187 CCCC(C)NC(=O)C(C)SC 11a_100000741246_100000149566 [0,1,0,0,0,1|2,0,0]=4 4767 B11R0.187 CCCC(C)NC(=O)C(C)SC 1626a_100000741246_100000149566 [0,1,0,0,0,1|2,0,0]=4 4768 B11R0.187 CCCC(C)NC(=O)C(C)SC 240690a_100000741246_100000149566 [0,1,0,0,0,1|2,0,0]=4 4769 B11R0.187 CCCC(C)NC(=O)C(C)SC 527a_100000741246_100000149566 [0,1,0,0,0,1|2,0,0]=4 4770 B11R0.187 CCCC(C)NC(=O)C(C)SC 62a_100000735934_200000210301 [0,1,0,0,0,1|2,0,0]=4 4771 B11R0.187 CCCC(C)NC(=O)C(C)SC 62a_200000210301_100000735934 [0,1,0,0,0,1|2,0,0]=4 4772 B11R0.187 CCCC(C)NC(=O)C(C)S[13CH3] 62a_100000735934_200025704644 [0,1,0,0,0,1|2,0,0]=4 4773 B11R0.187 CCCC(C)NC(=O)C(C)S[13CH3] 62a_200025704644_100000735934 [0,1,0,0,0,1|2,0,0]=4 4774 B11R0.187 CCCC(C)NC(=O)C(O)CC 240690a_100000741246_100011196387 [0,1,0,0,0,1|1,0,0]=3 4775 B11R0.187 CCCC(C)NC(=O)C(O)CO 240690a_100000741246_100011215603 [0,1,0,0,0,1|2,0,0]=4 4776 B11R0.187 CCCC(C)NC(=O)N(C)CC 2708a_100000741246_100000225621 [0,1,0,0,0,1|2,0,0]=4 4777 B11R0.187 CCCC(C)NC(=O)N(C)CC 273464a_100000741246_100000225621 [0,1,0,0,0,1|2,0,0]=4 4778 B11R0.187 CCCS(=O)CC(=O)C(C)CC 1458a_100011387404_100000758301 [0,1,0,0,0,1|1,0,1]=4 4779 B11R0.187 CCSC(C)CC(=O)C(C)CC 1458a_200011311441_100000758301 [0,1,0,0,0,1|2,0,0]=4 4780 B11R0.353 C#CCC(=O)CC(C)(O)CCC 1458a_100011667670_100000184674 [0,1,0,0,0,1|0,0,2]=4 4781 B11R0.353 C=CCC(=O)CC(C)(O)CCC 1458a_100011667670_100000210623 [0,1,0,0,0,1|0,0,2]=4 4782 B11R0.353 CCCC(=O)CC(C)(O)CCC 1458a_100011667670_100000210303 [0,1,0,0,0,1|0,0,0]=2 4783 B11R0.353 CCCC(=O)NC(C)(C)CCO 240690a_100000763138_100000211992 [0,1,0,0,0,1|2,0,0]=4 4784 B11R0.353 CCCC(=O)NC(C)(C)CCO 527a_100000763138_100000211992 [0,1,0,0,0,1|2,0,0]=4 4785 B11R0.353 CCCC(=O)NC(C)(C)COC 11a_100000752728_100000211992 [0,1,0,0,0,1|2,0,0]=4 4786 B11R0.353 CCCC(=O)NC(C)(C)COC 1626a_100000752728_100000211992 [0,1,0,0,0,1|2,0,0]=4 4787 B11R0.353 CCCC(=O)NC(C)(C)COC 240690a_100000752728_100000211992 [0,1,0,0,0,1|2,0,0]=4 4788 B11R0.353 CCCC(=O)NC(C)(C)COC 527a_100000752728_100000211992 [0,1,0,0,0,1|2,0,0]=4 4789 B11R0.353 CCCC(=O)NC(C)(C)CSC 11a_100000759623_100000211992 [0,1,0,0,0,1|2,0,0]=4 4790 B11R0.353 CCCC(=O)NC(C)(C)CSC 1626a_100000759623_100000211992 [0,1,0,0,0,1|2,0,0]=4 4791 B11R0.353 CCCC(=O)NC(C)(C)CSC 240690a_100000759623_100000211992 [0,1,0,0,0,1|2,0,0]=4 4792 B11R0.353 CCCC(=O)NC(C)(C)CSC 527a_100000759623_100000211992 [0,1,0,0,0,1|2,0,0]=4 4793 B11R0.353 CCCC(=O)NS(=O)(=O)CCC 2740a_100000171175_100000211992 [0,1,0,0,0,1|1,0,1]=4 4794 B11R0.353 CCCC(C)(O)CC(=O)CC#N 1458a_100011667670_100011214920 [0,1,0,0,0,1|1,0,1]=4 4795 B11R0.353 CCCC(C)(O)CC(=O)CCF 1458a_100011667670_100011217306 [0,1,0,0,0,1|1,0,0]=3 4796 B11R0.353 CCCC(C)(O)CC(=O)CCO 1458a_100011667670_100000211926 [0,1,0,0,0,1|1,0,0]=3 4797 B11R0.353 CCCC(C)(O)CC(=O)NCC 240690a_100015525214_100011667670 [0,1,0,0,0,1|1,0,0]=3 4798 B11R0.353 CCCC(C)(O)CC(=O)NCC 527a_100015525214_100011667670 [0,1,0,0,0,1|1,0,0]=3 4799 B11R0.353 CCCC(C)(O)CC(=O)NNC 22a_100016993582_100011667670 [0,1,0,0,0,1|2,0,0]=4 4800 B11R0.353 CCCC(C)NS(=O)(=O)CCC 270084a_100000741246_100000211391 [0,1,0,0,0,1|2,0,0]=4 4801 B11R0.353 CCCC(C)NS(=O)(=O)CCC 274078a_100000741246_100000211391 [0,1,0,0,0,1|2,0,0]=4 4802 B11R0.353 CCCC(C)NS(=O)(=O)CCC 40a_100000741246_100000054278 [0,1,0,0,0,1|2,0,0]=4 4803 B11R0.11 C#CCCC(=O)C(C)CCCC 1458a_100000692101_200011215066 [0,2,0,0,0,0|1,0,1]=4 4804 B11R0.11 C#CCCC(=O)C(C)CCCC 1458a_100000725509_100000753159 [0,2,0,0,0,0|1,0,1]=4 4805 B11R0.11 C#CCCC(=O)C(O)CCCC 1458a_100000720857_100000753159 [0,2,0,0,0,0|0,0,1]=3 4806 B11R0.11 C#CCCC(=O)C(O)CCSC 1458a_100000685904_100000753159 [0,2,0,0,0,0|0,0,1]=3 4807 B11R0.11 C#CCNC(=O)C(O)CCCC 240690a_100000212058_100000720857 [0,2,0,0,0,0|0,0,2]=4 4808 B11R0.11 C#CCNC(=O)C(O)CCCC 527a_100000212058_100000720857 [0,2,0,0,0,0|0,0,2]=4 4809 B11R0.11 C#CCNC(=O)C(O)CCSC 240690a_100000212058_100000685904 [0,2,0,0,0,0|0,0,2]=4 4810 B11R0.11 C/C=C/CC(=O)C(C)CCCC 1458a_100000725509_100102629194 [0,2,0,0,0,0|1,0,1]=4 4811 B11R0.11 C/C=C/CC(=O)C(O)CCCC 1458a_100000720857_100102629194 [0,2,0,0,0,0|0,0,1]=3 4812 B11R0.11 C/C=C/CC(=O)C(O)CCSC 1458a_100000685904_100102629194 [0,2,0,0,0,0|0,0,1]=3 4813 B11R0.11 C=CCCC(=O)C(C)CCCC 1458a_100000725509_100000754431 [0,2,0,0,0,0|1,0,1]=4 4814 B11R0.11 C=CCCC(=O)C(C)CCCC 1458a_100000749702_200011215066 [0,2,0,0,0,0|1,0,1]=4 4815 B11R0.11 C=CCCC(=O)C(O)CCCC 1458a_100000720857_100000754431 [0,2,0,0,0,0|0,0,1]=3 4816 B11R0.11 C=CCCC(=O)C(O)CCSC 1458a_100000685904_100000754431 [0,2,0,0,0,0|0,0,1]=3 4817 B11R0.11 C=CCNC(=O)C(O)CCCC 240690a_100020586998_100000720857 [0,2,0,0,0,0|0,0,2]=4 4818 B11R0.11 C=CCNC(=O)C(O)CCCC 527a_100020586998_100000720857 [0,2,0,0,0,0|0,0,2]=4 4819 B11R0.11 C=CCNC(=O)C(O)CCSC 240690a_100020586998_100000685904 [0,2,0,0,0,0|0,0,2]=4 4820 B11R0.11 CC#CCC(=O)C(C)CCCC 1458a_100000725509_100000748600 [0,2,0,0,0,0|1,0,1]=4 4821 B11R0.11 CC#CCC(=O)C(O)CCCC 1458a_100000720857_100000748600 [0,2,0,0,0,0|0,0,1]=3 4822 B11R0.11 CC#CCC(=O)C(O)CCSC 1458a_100000685904_100000748600 [0,2,0,0,0,0|0,0,1]=3 4823 B11R0.11 CC=CCC(=O)C(C)CCCC 1458a_100000725509_100000070051 [0,2,0,0,0,0|1,0,1]=4 4824 B11R0.11 CC=CCC(=O)C(C)CCCC 1458a_100121576822_200011215066 [0,2,0,0,0,0|1,0,1]=4 4825 B11R0.11 CC=CCC(=O)C(O)CCCC 1458a_100000720857_100000070051 [0,2,0,0,0,0|0,0,1]=3 4826 B11R0.11 CC=CCC(=O)C(O)CCSC 1458a_100000685904_100000070051 [0,2,0,0,0,0|0,0,1]=3 4827 B11R0.11 CCC#CC(=O)C(C)CCCC 1458a_100011827653_200011215066 [0,2,0,0,0,0|1,0,1]=4 4828 B11R0.11 CCC/C=C(\C)/C(=O)CCCC 1458a_200020648666_100000210211 [0,2,0,0,0,0|1,0,1]=4 4829 B11R0.11 CCC/C=C(\C)/C(=O)CCCF 1458a_200020648666_100011934791 [0,2,0,0,0,0|1,0,1]=4 4830 B11R0.11 CCC/C=C(\C)/C(=O)CCCO 1458a_200020648666_100011215043 [0,2,0,0,0,0|1,0,1]=4 4831 B11R0.11 CCC/C=C(\C)/C(=O)CCOC 1458a_200020648666_100000233755 [0,2,0,0,0,0|1,0,1]=4 4832 B11R0.11 CCC/C=C(\C)/C(=O)CCSC 1458a_200020648666_100000751147 [0,2,0,0,0,0|1,0,1]=4 4833 B11R0.11 CCC/C=C(\C)/C(=O)NCCC 11a_100020643023_200020648666 [0,2,0,0,0,0|1,0,1]=4 4834 B11R0.11 CCC/C=C(\C)/C(=O)NCCC 1626a_100020643023_200020648666 [0,2,0,0,0,0|1,0,1]=4 4835 B11R0.11 CCC/C=C(\C)/C(=O)NCCC 240690a_100020643023_200020648666 [0,2,0,0,0,0|1,0,1]=4 4836 B11R0.11 CCC=CC(=O)C(C)CCCC 1458a_100000212282_200011215066 [0,2,0,0,0,0|1,0,1]=4 4837 B11R0.11 CCCCC(=O)C(=O)NCCC 1458a_200011297150_100000210211 [0,2,0,0,0,0|0,0,2]=4 4838 B11R0.11 CCCCC(=O)C(C)CCCC 1458a_100000210183_200011215066 [0,2,0,0,0,0|1,0,0]=3 4839 B11R0.11 CCCCC(=O)C(C)CCCC 1458a_100000725509_100000210211 [0,2,0,0,0,0|1,0,0]=3 4840 B11R0.11 CCCCC(=O)C(O)CCCC 1458a_100000720857_100000210211 [0,2,0,0,0,0|0,0,0]=2 4841 B11R0.11 CCCCC(=O)C(O)CCSC 1458a_100000685904_100000210211 [0,2,0,0,0,0|0,0,0]=2 4842 B11R0.11 CCCCC(=O)N(C)CCCC 11a_100000207549_100000210183 [0,2,0,0,0,0|2,0,0]=4 4843 B11R0.11 CCCCC(=O)N(C)CCCC 1626a_100000207549_100000210183 [0,2,0,0,0,0|2,0,0]=4 4844 B11R0.11 CCCCC(=O)N(C)CCCC 240690a_100000207549_100000210183 [0,2,0,0,0,0|2,0,0]=4 4845 B11R0.11 CCCCC(=O)N(C)CCCC 527a_100000207549_100000210183 [0,2,0,0,0,0|2,0,0]=4 4846 B11R0.11 CCCCC(=O)N(C)CCCO 240690a_100000213112_100000210183 [0,2,0,0,0,0|2,0,0]=4 4847 B11R0.11 CCCCC(=O)N(C)CCCO 527a_100000213112_100000210183 [0,2,0,0,0,0|2,0,0]=4 4848 B11R0.11 CCCCC(=O)N(C)CCOC 11a_100000743101_100000210183 [0,2,0,0,0,0|2,0,0]=4 4849 B11R0.11 CCCCC(=O)N(C)CCOC 1626a_100000743101_100000210183 [0,2,0,0,0,0|2,0,0]=4 4850 B11R0.11 CCCCC(=O)N(C)CCOC 240690a_100000743101_100000210183 [0,2,0,0,0,0|2,0,0]=4 4851 B11R0.11 CCCCC(=O)N(C)CCOC 527a_100000743101_100000210183 [0,2,0,0,0,0|2,0,0]=4 4852 B11R0.11 CCCCC(=O)N(C)CCSC 11a_100000686725_100000210183 [0,2,0,0,0,0|2,0,0]=4 4853 B11R0.11 CCCCC(=O)N(C)CCSC 1626a_100000686725_100000210183 [0,2,0,0,0,0|2,0,0]=4 4854 B11R0.11 CCCCC(=O)N(C)CCSC 240690a_100000686725_100000210183 [0,2,0,0,0,0|2,0,0]=4 4855 B11R0.11 CCCCC(=O)N(C)CCSC 527a_100000686725_100000210183 [0,2,0,0,0,0|2,0,0]=4 4856 B11R0.11 CCCCC(C)C(=O)CCC#N 1458a_100000725509_100011215226 [0,2,0,0,0,0|1,0,1]=4 4857 B11R0.11 CCCCC(C)C(=O)CCC#N 1458a_100011934036_200011215066 [0,2,0,0,0,0|1,0,1]=4 4858 B11R0.11 CCCCC(C)C(=O)CCCF 1458a_100000725509_100011934791 [0,2,0,0,0,0|1,0,0]=3 4859 B11R0.11 CCCCC(C)C(=O)CCCO 1458a_100000725509_100011215043 [0,2,0,0,0,0|1,0,0]=3 4860 B11R0.11 CCCCC(C)C(=O)CCOC 1458a_100000725509_100000233755 [0,2,0,0,0,0|1,0,0]=3 4861 B11R0.11 CCCCC(C)C(=O)CCOC 1458a_100000749529_200011215066 [0,2,0,0,0,0|1,0,0]=3 4862 B11R0.11 CCCCC(C)C(=O)CCSC 1458a_100000174002_200011215066 [0,2,0,0,0,0|1,0,0]=3 4863 B11R0.11 CCCCC(C)C(=O)CCSC 1458a_100000725509_100000751147 [0,2,0,0,0,0|1,0,0]=3 4864 B11R0.11 CCCCC(C)C(=O)COCC 1458a_100000211967_200011215066 [0,2,0,0,0,0|1,0,0]=3 4865 B11R0.11 CCCCC(C)C(=O)CSCC 1458a_100000230394_200011215066 [0,2,0,0,0,0|1,0,0]=3 4866 B11R0.11 CCCCC(C)C(=O)NCCC 11a_100020643023_100000725509 [0,2,0,0,0,0|1,0,0]=3 4867 B11R0.11 CCCCC(C)C(=O)NCCC 1626a_100020643023_100000725509 [0,2,0,0,0,0|1,0,0]=3 4868 B11R0.11 CCCCC(C)C(=O)NCCC 240690a_100020643023_100000725509 [0,2,0,0,0,0|1,0,0]=3 4869 B11R0.11 CCCCC(C)C(=O)NCCC 527a_100020643023_100000725509 [0,2,0,0,0,0|1,0,0]=3 4870 B11R0.11 CCCCC(C)C(=O)NCCF 11a_100000724931_100000725509 [0,2,0,0,0,0|2,0,0]=4 4871 B11R0.11 CCCCC(C)C(=O)NCCF 1626a_100000724931_100000725509 [0,2,0,0,0,0|2,0,0]=4 4872 B11R0.11 CCCCC(C)C(=O)NCCF 240690a_100000724931_100000725509 [0,2,0,0,0,0|2,0,0]=4 4873 B11R0.11 CCCCC(C)C(=O)NCCF 527a_100000724931_100000725509 [0,2,0,0,0,0|2,0,0]=4 4874 B11R0.11 CCCCC(C)C(=O)NCCO 240690a_100000210304_100000725509 [0,2,0,0,0,0|2,0,0]=4 4875 B11R0.11 CCCCC(C)C(=O)NCCO 527a_100000210304_100000725509 [0,2,0,0,0,0|2,0,0]=4 4876 B11R0.11 CCCCC(C)C(=O)NNCC 22a_100000756455_100000725509 [0,2,0,0,0,0|2,0,0]=4 4877 B11R0.11 CCCCC(O)C(=O)CCC#N 1458a_100000720857_100011215226 [0,2,0,0,0,0|0,0,1]=3 4878 B11R0.11 CCCCC(O)C(=O)CCCF 1458a_100000720857_100011934791 [0,2,0,0,0,0|0,0,0]=2 4879 B11R0.11 CCCCC(O)C(=O)CCCO 1458a_100000720857_100011215043 [0,2,0,0,0,0|0,0,0]=2 4880 B11R0.11 CCCCC(O)C(=O)CCOC 1458a_100000720857_100000233755 [0,2,0,0,0,0|0,0,0]=2 4881 B11R0.11 CCCCC(O)C(=O)CCSC 1458a_100000720857_100000751147 [0,2,0,0,0,0|0,0,0]=2 4882 B11R0.11 CCCCC(O)C(=O)NCC#N 527a_100000734998_100000720857 [0,2,0,0,0,0|1,0,1]=4 4883 B11R0.11 CCCCC(O)C(=O)NCCC 240690a_100020643023_100000720857 [0,2,0,0,0,0|0,0,0]=2 4884 B11R0.11 CCCCC(O)C(=O)NCCC 527a_100020643023_100000720857 [0,2,0,0,0,0|0,0,0]=2 4885 B11R0.11 CCCCC(O)C(=O)NCCF 240690a_100000724931_100000720857 [0,2,0,0,0,0|1,0,0]=3 4886 B11R0.11 CCCCC(O)C(=O)NCCF 527a_100000724931_100000720857 [0,2,0,0,0,0|1,0,0]=3 4887 B11R0.11 CCCCC(O)C(=O)NCCO 240690a_100000210304_100000720857 [0,2,0,0,0,0|1,0,0]=3 4888 B11R0.11 CCCCC(O)C(=O)NCCO 527a_100000210304_100000720857 [0,2,0,0,0,0|1,0,0]=3 4889 B11R0.11 CCCCC(O)C(=O)NNCC 22a_100000756455_100000720857 [0,2,0,0,0,0|1,0,0]=3 4890 B11R0.11 CCCCN(C)C(=O)CCOC 11a_100000207549_100000749529 [0,2,0,0,0,0|2,0,0]=4 4891 B11R0.11 CCCCN(C)C(=O)CCOC 1626a_100000207549_100000749529 [0,2,0,0,0,0|2,0,0]=4 4892 B11R0.11 CCCCN(C)C(=O)CCOC 240690a_100000207549_100000749529 [0,2,0,0,0,0|2,0,0]=4 4893 B11R0.11 CCCCN(C)C(=O)CCOC 527a_100000207549_100000749529 [0,2,0,0,0,0|2,0,0]=4 4894 B11R0.11 CCCCN(C)C(=O)CCSC 11a_100000207549_100000174002 [0,2,0,0,0,0|2,0,0]=4 4895 B11R0.11 CCCCN(C)C(=O)CCSC 1626a_100000207549_100000174002 [0,2,0,0,0,0|2,0,0]=4 4896 B11R0.11 CCCCN(C)C(=O)CCSC 240690a_100000207549_100000174002 [0,2,0,0,0,0|2,0,0]=4 4897 B11R0.11 CCCCN(C)C(=O)CCSC 527a_100000207549_100000174002 [0,2,0,0,0,0|2,0,0]=4 4898 B11R0.11 CCCCN(C)C(=O)CNCC 2230a_100015525214_100000230175 [0,2,0,0,0,0|2,0,0]=4 4899 B11R0.11 CCCCN(C)C(=O)COCC 11a_100000207549_100000211967 [0,2,0,0,0,0|2,0,0]=4 4900 B11R0.11 CCCCN(C)C(=O)COCC 1626a_100000207549_100000211967 [0,2,0,0,0,0|2,0,0]=4 4901 B11R0.11 CCCCN(C)C(=O)COCC 240690a_100000207549_100000211967 [0,2,0,0,0,0|2,0,0]=4 4902 B11R0.11 CCCCN(C)C(=O)COCC 34a_100121572206_100000230175 [0,2,0,0,0,0|2,0,0]=4 4903 B11R0.11 CCCCN(C)C(=O)COCC 527a_100000207549_100000211967 [0,2,0,0,0,0|2,0,0]=4 4904 B11R0.11 CCCCN(C)C(=O)CSCC 11a_100000207549_100000230394 [0,2,0,0,0,0|2,0,0]=4 4905 B11R0.11 CCCCN(C)C(=O)CSCC 1626a_100000207549_100000230394 [0,2,0,0,0,0|2,0,0]=4 4906 B11R0.11 CCCCN(C)C(=O)CSCC 240690a_100000207549_100000230394 [0,2,0,0,0,0|2,0,0]=4 4907 B11R0.11 CCCCN(C)C(=O)CSCC 527a_100000207549_100000230394 [0,2,0,0,0,0|2,0,0]=4 4908 B11R0.11 CCCCN(C)C(=O)CSCC 62a_100000210202_100000230175 [0,2,0,0,0,0|2,0,0]=4 4909 B11R0.11 CCCCN(C)C(=O)CSCC 62a_100000230175_100000210202 [0,2,0,0,0,0|2,0,0]=4 4910 B11R0.11 CCCCN(C)C(=O)NCCC 2708a_100020643023_100000207549 [0,2,0,0,0,0|2,0,0]=4 4911 B11R0.11 CCCCN(C)C(=O)NCCC 273464a_100020643023_100000207549 [0,2,0,0,0,0|2,0,0]=4 4912 B11R0.11 CCCNC(=O)C(=O)CCCF 1458a_200011297150_100011934791 [0,2,0,0,0,0|0,0,2]=4 4913 B11R0.11 CCCNC(=O)C(=O)CCCO 1458a_200011297150_100011215043 [0,2,0,0,0,0|0,0,2]=4 4914 B11R0.11 CCCNC(=O)C(=O)CCOC 1458a_200011297150_100000233755 [0,2,0,0,0,0|0,0,2]=4 4915 B11R0.11 CCCNC(=O)C(=O)CCSC 1458a_200011297150_100000751147 [0,2,0,0,0,0|0,0,2]=4 4916 B11R0.11 CCCNC(=O)C(=O)NCCC 1626a_100020643023_200011297150 [0,2,0,0,0,0|0,0,2]=4 4917 B11R0.11 CCCNC(=O)C(=O)NCCC 240690a_100020643023_200011297150 [0,2,0,0,0,0|0,0,2]=4 4918 B11R0.11 CCCNC(=O)C(=O)NCCC 527a_100020643023_200011297150 [0,2,0,0,0,0|0,0,2]=4 4919 B11R0.11 CCCNC(=O)C(C)NCCC 2230a_100025744714_100000210303 [0,2,0,0,0,0|1,0,0]=3 4920 B11R0.11 CCCNC(=O)C(C)NCCC 34a_100025744714_100000210303 [0,2,0,0,0,0|1,0,0]=3 4921 B11R0.11 CCCNC(=O)C(C)NCCF 2230a_100025744714_100011217306 [0,2,0,0,0,0|2,0,0]=4 4922 B11R0.11 CCCNC(=O)C(C)NCCF 34a_100000724931_100000230305 [0,2,0,0,0,0|2,0,0]=4 4923 B11R0.11 CCCNC(=O)C(C)NCCF 34a_100025744714_100011217306 [0,2,0,0,0,0|2,0,0]=4 4924 B11R0.11 CCCNC(=O)C(C)NCCO 2230a_100016997473_100000230305 [0,2,0,0,0,0|2,0,0]=4 4925 B11R0.11 CCCNC(=O)C(C)NCCO 2230a_100025744714_100000211926 [0,2,0,0,0,0|2,0,0]=4 4926 B11R0.11 CCCNC(=O)C(C)NCCO 34a_100016990907_100000230305 [0,2,0,0,0,0|2,0,0]=4 4927 B11R0.11 CCCNC(=O)C(C)NCCO 34a_100025744714_100000211926 [0,2,0,0,0,0|2,0,0]=4 4928 B11R0.11 CCCNC(=O)C(C)NCOC 2230a_100025744714_100000766300 [0,2,0,0,0,0|2,0,0]=4 4929 B11R0.11 CCCNC(=O)C(C)NCSC 2230a_100025744714_100011218213 [0,2,0,0,0,0|2,0,0]=4 4930 B11R0.11 CCCNC(=O)C(C)NCSC 34a_100025744714_100011218213 [0,2,0,0,0,0|2,0,0]=4 4931 B11R0.11 CCCNC(=O)C(C)OCCBr 34a_100000211926_100000230305 [0,2,0,0,0,0|2,0,0]=4 4932 B11R0.11 CCCNC(=O)C(C)OCCC 34a_100000210258_100000230305 [0,2,0,0,0,0|1,0,0]=3 4933 B11R0.11 CCCNC(=O)C(C)OCCN 34a_100000210304_100000230305 [0,2,0,0,0,0|2,0,0]=4 4934 B11R0.11 CCCNC(=O)C(C)SCCC 62a_100000210303_100000230305 [0,2,0,0,0,0|1,0,0]=3 4935 B11R0.11 CCCNC(=O)C(C)SCCC 62a_100000230305_100000210303 [0,2,0,0,0,0|1,0,0]=3 4936 B11R0.11 CCCNC(=O)C(C)SCCF 62a_100000230305_100011217306 [0,2,0,0,0,0|2,0,0]=4 4937 B11R0.11 CCCNC(=O)C(C)SCCF 62a_100011217306_100000230305 [0,2,0,0,0,0|2,0,0]=4 4938 B11R0.11 CCCNC(=O)C(C)SCCO 62a_100000211926_100000230305 [0,2,0,0,0,0|2,0,0]=4 4939 B11R0.11 CCCNC(=O)C(C)SCCO 62a_100000230305_100000211926 [0,2,0,0,0,0|2,0,0]=4 4940 B11R0.11 CCCNC(=O)C(C)SCOC 62a_100000230305_100000766300 [0,2,0,0,0,0|2,0,0]=4 4941 B11R0.11 CCCNC(=O)C(C)SCOC 62a_100000766300_100000230305 [0,2,0,0,0,0|2,0,0]=4 4942 B11R0.11 CCCNC(=O)C(C)SCSC 62a_100000230305_100011218213 [0,2,0,0,0,0|2,0,0]=4 4943 B11R0.11 CCCNC(=O)C(C)SCSC 62a_100011218213_100000230305 [0,2,0,0,0,0|2,0,0]=4 4944 B11R0.11 CCCNC(=O)C(O)CCSC 240690a_100020643023_100000685904 [0,2,0,0,0,0|0,0,0]=2 4945 B11R0.11 CCCNC(=O)N(C)CCCO 2708a_100020643023_100000213112 [0,2,0,0,0,0|2,0,0]=4 4946 B11R0.11 CCCNC(=O)N(C)CCCO 273464a_100020643023_100000213112 [0,2,0,0,0,0|2,0,0]=4 4947 B11R0.11 CCCNC(=O)N(C)CCOC 2708a_100020643023_100000743101 [0,2,0,0,0,0|2,0,0]=4 4948 B11R0.11 CCCNC(=O)N(C)CCOC 273464a_100020643023_100000743101 [0,2,0,0,0,0|2,0,0]=4 4949 B11R0.11 CCCNC(=O)N(C)CCSC 2708a_100020643023_100000686725 [0,2,0,0,0,0|2,0,0]=4 4950 B11R0.11 CCCNC(=O)N(C)CCSC 273464a_100020643023_100000686725 [0,2,0,0,0,0|2,0,0]=4 4951 B11R0.11 CCCOC(=O)C(C)NCCF 34a_100000724931_100000760410 [0,2,0,0,0,0|2,0,0]=4 4952 B11R0.11 CCCOC(=O)C(C)NCCO 2230a_100016997473_100000760410 [0,2,0,0,0,0|2,0,0]=4 4953 B11R0.11 CCCOC(=O)C(C)NCCO 34a_100016990907_100000760410 [0,2,0,0,0,0|2,0,0]=4 4954 B11R0.11 CCCOC(=O)C(C)OCCBr 34a_100000211926_100000760410 [0,2,0,0,0,0|2,0,0]=4 4955 B11R0.11 CCCOC(=O)C(C)OCCC 34a_100000037348_100000210303 [0,2,0,0,0,0|1,0,0]=3 4956 B11R0.11 CCCOC(=O)C(C)OCCC 34a_100000210258_100000760410 [0,2,0,0,0,0|1,0,0]=3 4957 B11R0.11 CCCOC(=O)C(C)OCCC 7a_100000037348_100000210303 [0,2,0,0,0,0|1,0,0]=3 4958 B11R0.11 CCCOC(=O)C(C)OCCF 34a_100000037348_100011217306 [0,2,0,0,0,0|2,0,0]=4 4959 B11R0.11 CCCOC(=O)C(C)OCCF 7a_100000037348_100011217306 [0,2,0,0,0,0|2,0,0]=4 4960 B11R0.11 CCCOC(=O)C(C)OCCN 34a_100000210304_100000760410 [0,2,0,0,0,0|2,0,0]=4 4961 B11R0.11 CCCOC(=O)C(C)OCCO 34a_100000037348_100000211926 [0,2,0,0,0,0|2,0,0]=4 4962 B11R0.11 CCCOC(=O)C(C)OCCO 7a_100000037348_100000211926 [0,2,0,0,0,0|2,0,0]=4 4963 B11R0.11 CCCOC(=O)C(C)OCSC 34a_100000037348_100011218213 [0,2,0,0,0,0|2,0,0]=4 4964 B11R0.11 CCCOC(=O)C(C)SCCC 62a_100000210303_100000760410 [0,2,0,0,0,0|1,0,0]=3 4965 B11R0.11 CCCOC(=O)C(C)SCCC 62a_100000760410_100000210303 [0,2,0,0,0,0|1,0,0]=3 4966 B11R0.11 CCCOC(=O)C(C)SCCF 62a_100000760410_100011217306 [0,2,0,0,0,0|2,0,0]=4 4967 B11R0.11 CCCOC(=O)C(C)SCCF 62a_100011217306_100000760410 [0,2,0,0,0,0|2,0,0]=4 4968 B11R0.11 CCCOC(=O)C(C)SCCO 62a_100000211926_100000760410 [0,2,0,0,0,0|2,0,0]=4 4969 B11R0.11 CCCOC(=O)C(C)SCCO 62a_100000760410_100000211926 [0,2,0,0,0,0|2,0,0]=4 4970 B11R0.11 CCCOC(=O)C(C)SCOC 62a_100000760410_100000766300 [0,2,0,0,0,0|2,0,0]=4 4971 B11R0.11 CCCOC(=O)C(C)SCOC 62a_100000766300_100000760410 [0,2,0,0,0,0|2,0,0]=4 4972 B11R0.11 CCCOC(=O)C(C)SCSC 62a_100000760410_100011218213 [0,2,0,0,0,0|2,0,0]=4 4973 B11R0.11 CCCOC(=O)C(C)SCSC 62a_100011218213_100000760410 [0,2,0,0,0,0|2,0,0]=4 4974 B11R0.11 CCNNC(=O)C(O)CCSC 22a_100000756455_100000685904 [0,2,0,0,0,0|1,0,0]=3 4975 B11R0.11 CCOCC(=O)N(C)CCCO 240690a_100000213112_100000211967 [0,2,0,0,0,0|2,0,0]=4 4976 B11R0.11 CCOCC(=O)N(C)CCCO 527a_100000213112_100000211967 [0,2,0,0,0,0|2,0,0]=4 4977 B11R0.11 CCOCC(=O)N(C)CCOC 11a_100000743101_100000211967 [0,2,0,0,0,0|2,0,0]=4 4978 B11R0.11 CCOCC(=O)N(C)CCOC 1626a_100000743101_100000211967 [0,2,0,0,0,0|2,0,0]=4 4979 B11R0.11 CCOCC(=O)N(C)CCOC 240690a_100000743101_100000211967 [0,2,0,0,0,0|2,0,0]=4 4980 B11R0.11 CCOCC(=O)N(C)CCOC 527a_100000743101_100000211967 [0,2,0,0,0,0|2,0,0]=4 4981 B11R0.11 CCOCC(=O)N(C)CCSC 11a_100000686725_100000211967 [0,2,0,0,0,0|2,0,0]=4 4982 B11R0.11 CCOCC(=O)N(C)CCSC 1626a_100000686725_100000211967 [0,2,0,0,0,0|2,0,0]=4 4983 B11R0.11 CCOCC(=O)N(C)CCSC 240690a_100000686725_100000211967 [0,2,0,0,0,0|2,0,0]=4 4984 B11R0.11 CCOCC(=O)N(C)CCSC 527a_100000686725_100000211967 [0,2,0,0,0,0|2,0,0]=4 4985 B11R0.11 CCSCC(=O)N(C)CCCO 240690a_100000213112_100000230394 [0,2,0,0,0,0|2,0,0]=4 4986 B11R0.11 CCSCC(=O)N(C)CCCO 527a_100000213112_100000230394 [0,2,0,0,0,0|2,0,0]=4 4987 B11R0.11 CCSCC(=O)N(C)CCOC 11a_100000743101_100000230394 [0,2,0,0,0,0|2,0,0]=4 4988 B11R0.11 CCSCC(=O)N(C)CCOC 1626a_100000743101_100000230394 [0,2,0,0,0,0|2,0,0]=4 4989 B11R0.11 CCSCC(=O)N(C)CCOC 240690a_100000743101_100000230394 [0,2,0,0,0,0|2,0,0]=4 4990 B11R0.11 CCSCC(=O)N(C)CCOC 527a_100000743101_100000230394 [0,2,0,0,0,0|2,0,0]=4 4991 B11R0.11 CCSCC(=O)N(C)CCSC 11a_100000686725_100000230394 [0,2,0,0,0,0|2,0,0]=4 4992 B11R0.11 CCSCC(=O)N(C)CCSC 1626a_100000686725_100000230394 [0,2,0,0,0,0|2,0,0]=4 4993 B11R0.11 CCSCC(=O)N(C)CCSC 240690a_100000686725_100000230394 [0,2,0,0,0,0|2,0,0]=4 4994 B11R0.11 CCSCC(=O)N(C)CCSC 527a_100000686725_100000230394 [0,2,0,0,0,0|2,0,0]=4 4995 B11R0.11 COCCC(=O)C(O)CCSC 1458a_100000685904_100000233755 [0,2,0,0,0,0|0,0,0]=2 4996 B11R0.11 COCCC(=O)N(C)CCCO 240690a_100000213112_100000749529 [0,2,0,0,0,0|2,0,0]=4 4997 B11R0.11 COCCC(=O)N(C)CCCO 527a_100000213112_100000749529 [0,2,0,0,0,0|2,0,0]=4 4998 B11R0.11 COCCC(=O)N(C)CCOC 11a_100000743101_100000749529 [0,2,0,0,0,0|2,0,0]=4 4999 B11R0.11 COCCC(=O)N(C)CCOC 1626a_100000743101_100000749529 [0,2,0,0,0,0|2,0,0]=4 5000 B11R0.11 COCCC(=O)N(C)CCOC 240690a_100000743101_100000749529 [0,2,0,0,0,0|2,0,0]=4 5001 B11R0.11 COCCC(=O)N(C)CCOC 527a_100000743101_100000749529 [0,2,0,0,0,0|2,0,0]=4 5002 B11R0.11 COCCC(=O)N(C)CCSC 11a_100000686725_100000749529 [0,2,0,0,0,0|2,0,0]=4 5003 B11R0.11 COCCC(=O)N(C)CCSC 1626a_100000686725_100000749529 [0,2,0,0,0,0|2,0,0]=4 5004 B11R0.11 COCCC(=O)N(C)CCSC 240690a_100000686725_100000749529 [0,2,0,0,0,0|2,0,0]=4 5005 B11R0.11 COCCC(=O)N(C)CCSC 527a_100000686725_100000749529 [0,2,0,0,0,0|2,0,0]=4 5006 B11R0.11 COCCN(C)C(=O)CCSC 11a_100000743101_100000174002 [0,2,0,0,0,0|2,0,0]=4 5007 B11R0.11 COCCN(C)C(=O)CCSC 1626a_100000743101_100000174002 [0,2,0,0,0,0|2,0,0]=4 5008 B11R0.11 COCCN(C)C(=O)CCSC 240690a_100000743101_100000174002 [0,2,0,0,0,0|2,0,0]=4 5009 B11R0.11 COCCN(C)C(=O)CCSC 527a_100000743101_100000174002 [0,2,0,0,0,0|2,0,0]=4 5010 B11R0.11 CSCCC(=O)C(O)CCSC 1458a_100000685904_100000751147 [0,2,0,0,0,0|0,0,0]=2 5011 B11R0.11 CSCCC(=O)N(C)CCCO 240690a_100000213112_100000174002 [0,2,0,0,0,0|2,0,0]=4 5012 B11R0.11 CSCCC(=O)N(C)CCCO 527a_100000213112_100000174002 [0,2,0,0,0,0|2,0,0]=4 5013 B11R0.11 CSCCC(=O)N(C)CCSC 11a_100000686725_100000174002 [0,2,0,0,0,0|2,0,0]=4 5014 B11R0.11 CSCCC(=O)N(C)CCSC 1626a_100000686725_100000174002 [0,2,0,0,0,0|2,0,0]=4 5015 B11R0.11 CSCCC(=O)N(C)CCSC 240690a_100000686725_100000174002 [0,2,0,0,0,0|2,0,0]=4 5016 B11R0.11 CSCCC(=O)N(C)CCSC 527a_100000686725_100000174002 [0,2,0,0,0,0|2,0,0]=4 5017 B11R0.11 CSCCC(O)C(=O)CCC#N 1458a_100000685904_100011215226 [0,2,0,0,0,0|0,0,1]=3 5018 B11R0.11 CSCCC(O)C(=O)CCCF 1458a_100000685904_100011934791 [0,2,0,0,0,0|0,0,0]=2 5019 B11R0.11 CSCCC(O)C(=O)CCCO 1458a_100000685904_100011215043 [0,2,0,0,0,0|0,0,0]=2 5020 B11R0.11 CSCCC(O)C(=O)NCCF 240690a_100000724931_100000685904 [0,2,0,0,0,0|1,0,0]=3 5021 B11R0.11 CSCCC(O)C(=O)NCCO 240690a_100000210304_100000685904 [0,2,0,0,0,0|1,0,0]=3 5022 B11R0.12 C#CCCC(=O)C(C)(C)CCC 1458a_100011215034_100000753159 [0,2,0,0,0,0|1,0,1]=4 5023 B11R0.12 C/C=C/CC(=O)C(C)(C)CCC 1458a_100011215034_100102629194 [0,2,0,0,0,0|1,0,1]=4 5024 B11R0.12 C=CCCC(=O)C(C)(C)CCC 1458a_100011215034_100000754431 [0,2,0,0,0,0|1,0,1]=4 5025 B11R0.12 CC#CCC(=O)C(C)(C)CCC 1458a_100011215034_100000748600 [0,2,0,0,0,0|1,0,1]=4 5026 B11R0.12 CC=CCC(=O)C(C)(C)CCC 1458a_100011215034_100000070051 [0,2,0,0,0,0|1,0,1]=4 5027 B11R0.12 CCCC(C)(C)C(=O)CCC#N 1458a_100011215034_100011215226 [0,2,0,0,0,0|1,0,1]=4 5028 B11R0.12 CCCC(C)(C)C(=O)CCCF 1458a_100011215034_100011934791 [0,2,0,0,0,0|1,0,0]=3 5029 B11R0.12 CCCC(C)(C)C(=O)CCCO 1458a_100011215034_100011215043 [0,2,0,0,0,0|1,0,0]=3 5030 B11R0.12 CCCC(C)(C)C(=O)CCOC 1458a_100011215034_100000233755 [0,2,0,0,0,0|1,0,0]=3 5031 B11R0.12 CCCC(C)(C)C(=O)CCSC 1458a_100011215034_100000751147 [0,2,0,0,0,0|1,0,0]=3 5032 B11R0.12 CCCC(C)(C)C(=O)NCCF 11a_100000724931_100011215034 [0,2,0,0,0,0|2,0,0]=4 5033 B11R0.12 CCCC(C)(C)C(=O)NCCF 1626a_100000724931_100011215034 [0,2,0,0,0,0|2,0,0]=4 5034 B11R0.12 CCCC(C)(C)C(=O)NCCF 240690a_100000724931_100011215034 [0,2,0,0,0,0|2,0,0]=4 5035 B11R0.12 CCCC(C)(C)C(=O)NCCF 527a_100000724931_100011215034 [0,2,0,0,0,0|2,0,0]=4 5036 B11R0.12 CCCC(C)(C)C(=O)NCCO 240690a_100000210304_100011215034 [0,2,0,0,0,0|2,0,0]=4 5037 B11R0.12 CCCC(C)(C)C(=O)NCCO 527a_100000210304_100011215034 [0,2,0,0,0,0|2,0,0]=4 5038 B11R0.12 CCCC(C)(C)C(=O)NNCC 22a_100000756455_100011215034 [0,2,0,0,0,0|2,0,0]=4 5039 B11R0.12 CCCCC(=O)C(C)(C)CCC 1458a_100011215034_100000210211 [0,2,0,0,0,0|1,0,0]=3 5040 B11R0.12 CCCCC(=O)C(C)(C)OCC 1458a_100011458965_100000210211 [0,2,0,0,0,0|2,0,0]=4 5041 B11R0.12 CCCNC(=O)C(C)(C)CCC 11a_100020643023_100011215034 [0,2,0,0,0,0|1,0,0]=3 5042 B11R0.12 CCCNC(=O)C(C)(C)CCC 1626a_100020643023_100011215034 [0,2,0,0,0,0|1,0,0]=3 5043 B11R0.12 CCCNC(=O)C(C)(C)CCC 240690a_100020643023_100011215034 [0,2,0,0,0,0|1,0,0]=3 5044 B11R0.12 CCCNC(=O)C(C)(C)CCC 527a_100020643023_100011215034 [0,2,0,0,0,0|1,0,0]=3 5045 B11R0.12 CCCNC(=O)C(C)(C)OCC 11a_100020643023_100011458965 [0,2,0,0,0,0|2,0,0]=4 5046 B11R0.12 CCCNC(=O)C(C)(C)OCC 1626a_100020643023_100011458965 [0,2,0,0,0,0|2,0,0]=4 5047 B11R0.12 CCCNC(=O)C(C)(C)OCC 240690a_100020643023_100011458965 [0,2,0,0,0,0|2,0,0]=4 5048 B11R0.12 CCCNC(=O)C(C)(C)OCC 527a_100020643023_100011458965 [0,2,0,0,0,0|2,0,0]=4 5049 B11R0.12 CCOC(C)(C)C(=O)CCCF 1458a_100011458965_100011934791 [0,2,0,0,0,0|2,0,0]=4 5050 B11R0.12 CCOC(C)(C)C(=O)CCCO 1458a_100011458965_100011215043 [0,2,0,0,0,0|2,0,0]=4 5051 B11R0.12 CCOC(C)(C)C(=O)CCOC 1458a_100011458965_100000233755 [0,2,0,0,0,0|2,0,0]=4 5052 B11R0.12 CCOC(C)(C)C(=O)CCSC 1458a_100011458965_100000751147 [0,2,0,0,0,0|2,0,0]=4 5053 B11R0.43 C#CC(C)NC(=O)C(C)CCC 11a_100000707721_100000210906 [0,2,0,0,0,0|2,0,0]=4 5054 B11R0.43 C#CC(C)NC(=O)C(C)CCC 1626a_100000707721_100000210906 [0,2,0,0,0,0|2,0,0]=4 5055 B11R0.43 C#CC(C)NC(=O)C(C)CCC 240690a_100000707721_100000210906 [0,2,0,0,0,0|2,0,0]=4 5056 B11R0.43 C#CC(C)NC(=O)C(C)CCC 527a_100000707721_100000210906 [0,2,0,0,0,0|2,0,0]=4 5057 B11R0.43 C#CC(C)NC(=O)[C@@H](O)CCC 240690a_100000707721_100009822183 [0,2,0,0,0,0|1,0,0]=3 5058 B11R0.43 C=C(C#N)CC(=O)[C@@H](O)CCC 1458a_100009822183_100000694840 [0,2,0,0,0,0|0,0,2]=4 5059 B11R0.43 C=CC(C)CC(=O)C(C)CCC 1458a_100011934298_100000766640 [0,2,0,0,0,0|1,0,0]=3 5060 B11R0.43 C=CC(C)CC(=O)C(C)CCO 1458a_100011934298_100009893172 [0,2,0,0,0,0|2,0,0]=4 5061 B11R0.43 C=CC(C)CC(=O)C(C)COC 1458a_100011934298_100000765312 [0,2,0,0,0,0|2,0,0]=4 5062 B11R0.43 C=CC(C)CC(=O)N(C)CCC 11a_100000747261_100011934298 [0,2,0,0,0,0|2,0,0]=4 5063 B11R0.43 C=CC(C)CC(=O)N(C)CCC 1626a_100000747261_100011934298 [0,2,0,0,0,0|2,0,0]=4 5064 B11R0.43 C=CC(C)CC(=O)N(C)CCC 240690a_100000747261_100011934298 [0,2,0,0,0,0|2,0,0]=4 5065 B11R0.43 C=CC(C)CC(=O)N(C)CCC 527a_100000747261_100011934298 [0,2,0,0,0,0|2,0,0]=4 5066 B11R0.43 CCC(=O)CC(=O)C(C)COC 1458a_100000751857_100000747405 [0,2,0,0,0,0|2,0,0]=4 5067 B11R0.43 CCC(=O)CC(=O)C(C)CSC 1458a_100000753918_100000747405 [0,2,0,0,0,0|2,0,0]=4 5068 B11R0.43 CCC(C)CC(=O)C(C)CCO 1458a_100000708755_100009893172 [0,2,0,0,0,0|2,0,0]=4 5069 B11R0.43 CCC(C)CC(=O)C(C)COC 1458a_100000708755_100000765312 [0,2,0,0,0,0|2,0,0]=4 5070 B11R0.43 CCC(C)CC(=O)C(C)COC 1458a_100000751857_100000748023 [0,2,0,0,0,0|2,0,0]=4 5071 B11R0.43 CCC(C)CC(=O)C(C)CSC 1458a_100000753918_100000748023 [0,2,0,0,0,0|2,0,0]=4 5072 B11R0.43 CCC(C)NC(=O)C(C)COC 11a_100000209981_100000751857 [0,2,0,0,0,0|2,0,0]=4 5073 B11R0.43 CCC(C)NC(=O)C(C)COC 1626a_100000209981_100000751857 [0,2,0,0,0,0|2,0,0]=4 5074 B11R0.43 CCC(C)NC(=O)C(C)COC 240690a_100000209981_100000751857 [0,2,0,0,0,0|2,0,0]=4 5075 B11R0.43 CCC(C)NC(=O)C(C)COC 527a_100000209981_100000751857 [0,2,0,0,0,0|2,0,0]=4 5076 B11R0.43 CCC(C)NC(=O)C(C)CSC 11a_100000209981_100000753918 [0,2,0,0,0,0|2,0,0]=4 5077 B11R0.43 CCC(C)NC(=O)C(C)CSC 1626a_100000209981_100000753918 [0,2,0,0,0,0|2,0,0]=4 5078 B11R0.43 CCC(C)NC(=O)C(C)CSC 240690a_100000209981_100000753918 [0,2,0,0,0,0|2,0,0]=4 5079 B11R0.43 CCC(C)NC(=O)C(C)CSC 527a_100000209981_100000753918 [0,2,0,0,0,0|2,0,0]=4 5080 B11R0.43 CCC(O)CC(=O)C(C)CCO 1458a_100011667805_100009893172 [0,2,0,0,0,0|2,0,0]=4 5081 B11R0.43 CCC(O)CC(=O)C(C)COC 1458a_100000751857_100011218378 [0,2,0,0,0,0|2,0,0]=4 5082 B11R0.43 CCC(O)CC(=O)C(C)COC 1458a_100011667805_100000765312 [0,2,0,0,0,0|2,0,0]=4 5083 B11R0.43 CCC(O)CC(=O)C(C)CSC 1458a_100000753918_100011218378 [0,2,0,0,0,0|2,0,0]=4 5084 B11R0.43 CCCC(=O)C(=O)NC(C)CC 1458a_200011297154_100000210303 [0,2,0,0,0,0|0,0,2]=4 5085 B11R0.43 CCCC(=O)C(C)CC(=O)OC 1458a_100000037256_100000210303 [0,2,0,0,0,0|1,0,1]=4 5086 B11R0.43 CCCC(=O)C(C)CN(C)CC 1458a_200015185930_100000210303 [0,2,0,0,0,0|1,0,0]=3 5087 B11R0.43 CCCC(=O)C(C)NC(=O)CC 1458a_100000194823_100000210303 [0,2,0,0,0,0|1,0,1]=4 5088 B11R0.43 CCCC(=O)N(C)CC(C)CC 11a_100000753921_100000211992 [0,2,0,0,0,0|2,0,0]=4 5089 B11R0.43 CCCC(=O)N(C)CC(C)CC 1626a_100000753921_100000211992 [0,2,0,0,0,0|2,0,0]=4 5090 B11R0.43 CCCC(=O)N(C)CC(C)CC 240690a_100000753921_100000211992 [0,2,0,0,0,0|2,0,0]=4 5091 B11R0.43 CCCC(=O)N(C)CC(C)CC 527a_100000753921_100000211992 [0,2,0,0,0,0|2,0,0]=4 5092 B11R0.43 CCCC(=O)N(C)CC(O)CO 240690a_100011216503_100000211992 [0,2,0,0,0,0|2,0,0]=4 5093 B11R0.43 CCCC(=O)N(C)CC(O)CO 527a_100011216503_100000211992 [0,2,0,0,0,0|2,0,0]=4 5094 B11R0.43 CCCC(C)C(=O)C=C(C)CC 1458a_100020758463_100000766640 [0,2,0,0,0,0|1,0,1]=4 5095 B11R0.43 CCCC(C)C(=O)CC(=O)CC 1458a_100000210906_100000747405 [0,2,0,0,0,0|1,0,0]=3 5096 B11R0.43 CCCC(C)C(=O)CC(=O)NC 1458a_100000210906_100000183359 [0,2,0,0,0,0|1,0,1]=4 5097 B11R0.43 CCCC(C)C(=O)CC(=O)OC 1458a_100000210906_100000747449 [0,2,0,0,0,0|1,0,1]=4 5098 B11R0.43 CCCC(C)C(=O)CC(=O)OC 1458a_100000211351_100000766640 [0,2,0,0,0,0|1,0,1]=4 5099 B11R0.43 CCCC(C)C(=O)CC(C)CC 1458a_100000210906_100000748023 [0,2,0,0,0,0|1,0,0]=3 5100 B11R0.43 CCCC(C)C(=O)CC(C)CC 1458a_100000708755_100000766640 [0,2,0,0,0,0|1,0,0]=3 5101 B11R0.43 CCCC(C)C(=O)CC(O)CC 1458a_100000210906_100011218378 [0,2,0,0,0,0|1,0,0]=3 5102 B11R0.43 CCCC(C)C(=O)CC(O)CC 1458a_100011667805_100000766640 [0,2,0,0,0,0|1,0,0]=3 5103 B11R0.43 CCCC(C)C(=O)CN(C)CC 1458a_100116209913_100000766640 [0,2,0,0,0,0|1,0,0]=3 5104 B11R0.43 CCCC(C)C(=O)C[C@@H](C)CC 1458a_100000210906_100009816398 [0,2,0,0,0,0|1,0,0]=3 5105 B11R0.43 CCCC(C)C(=O)C[C@@H](C)CO 1458a_100000210906_100000059175 [0,2,0,0,0,0|1,0,0]=3 5106 B11R0.43 CCCC(C)C(=O)NC(C)C#N 11a_100000737613_100000210906 [0,2,0,0,0,0|2,0,0]=4 5107 B11R0.43 CCCC(C)C(=O)NC(C)C#N 1626a_100000737613_100000210906 [0,2,0,0,0,0|2,0,0]=4 5108 B11R0.43 CCCC(C)C(=O)NC(C)C#N 527a_100000737613_100000210906 [0,2,0,0,0,0|2,0,0]=4 5109 B11R0.43 CCCC(C)C(=O)NC(C)CC 11a_100000209981_100000210906 [0,2,0,0,0,0|1,0,0]=3 5110 B11R0.43 CCCC(C)C(=O)NC(C)CC 1626a_100000209981_100000210906 [0,2,0,0,0,0|1,0,0]=3 5111 B11R0.43 CCCC(C)C(=O)NC(C)CC 240690a_100000209981_100000210906 [0,2,0,0,0,0|1,0,0]=3 5112 B11R0.43 CCCC(C)C(=O)NC(C)CC 527a_100000209981_100000210906 [0,2,0,0,0,0|1,0,0]=3 5113 B11R0.43 CCCC(C)C(=O)N[C@H](C)CF 11a_100102880703_100000210906 [0,2,0,0,0,0|2,0,0]=4 5114 B11R0.43 CCCC(C)C(=O)N[C@H](C)CF 1626a_100102880703_100000210906 [0,2,0,0,0,0|2,0,0]=4 5115 B11R0.43 CCCC(C)C(=O)N[C@H](C)CF 240690a_100102880703_100000210906 [0,2,0,0,0,0|2,0,0]=4 5116 B11R0.43 CCCC(C)C(=O)N[C@H](C)CF 527a_100102880703_100000210906 [0,2,0,0,0,0|2,0,0]=4 5117 B11R0.43 CCCC(C)C(=O)N[C@H](C)CO 240690a_100000737577_100000210906 [0,2,0,0,0,0|2,0,0]=4 5118 B11R0.43 CCCC(C)C(=O)N[C@H](C)CO 527a_100000737577_100000210906 [0,2,0,0,0,0|2,0,0]=4 5119 B11R0.43 CCCN(C)C(=O)CC(C)CC 11a_100000747261_100000708755 [0,2,0,0,0,0|2,0,0]=4 5120 B11R0.43 CCCN(C)C(=O)CC(C)CC 1626a_100000747261_100000708755 [0,2,0,0,0,0|2,0,0]=4 5121 B11R0.43 CCCN(C)C(=O)CC(C)CC 240690a_100000747261_100000708755 [0,2,0,0,0,0|2,0,0]=4 5122 B11R0.43 CCCN(C)C(=O)CC(C)CC 527a_100000747261_100000708755 [0,2,0,0,0,0|2,0,0]=4 5123 B11R0.43 CCCN(C)C(=O)CC(O)CC 1626a_100000747261_100011667805 [0,2,0,0,0,0|2,0,0]=4 5124 B11R0.43 CCCN(C)C(=O)CC(O)CC 240690a_100000747261_100011667805 [0,2,0,0,0,0|2,0,0]=4 5125 B11R0.43 CCCN(C)C(=O)CN(C)CC 240690a_100000747261_100116209913 [0,2,0,0,0,0|2,0,0]=4 5126 B11R0.43 CCCN(C)C(=O)CN(C)CC 527a_100000747261_100116209913 [0,2,0,0,0,0|2,0,0]=4 5127 B11R0.43 CCCN(C)C(=O)NC(C)CC 2708a_100000209981_100000747261 [0,2,0,0,0,0|2,0,0]=4 5128 B11R0.43 CCCN(C)C(=O)NC(C)CC 273464a_100000209981_100000747261 [0,2,0,0,0,0|2,0,0]=4 5129 B11R0.43 CCC[C@H](O)C(=O)CC(=O)CC 1458a_100009822183_100000747405 [0,2,0,0,0,0|0,0,0]=2 5130 B11R0.43 CCC[C@H](O)C(=O)CC(=O)NC 1458a_100009822183_100000183359 [0,2,0,0,0,0|0,0,1]=3 5131 B11R0.43 CCC[C@H](O)C(=O)CC(=O)OC 1458a_100009822183_100000747449 [0,2,0,0,0,0|0,0,1]=3 5132 B11R0.43 CCC[C@H](O)C(=O)CC(C)CC 1458a_100009822183_100000748023 [0,2,0,0,0,0|0,0,0]=2 5133 B11R0.43 CCC[C@H](O)C(=O)CC(O)CC 1458a_100009822183_100011218378 [0,2,0,0,0,0|0,0,0]=2 5134 B11R0.43 CCC[C@H](O)C(=O)C[C@@H](C)CC 1458a_100009822183_100009816398 [0,2,0,0,0,0|0,0,0]=2 5135 B11R0.43 CCC[C@H](O)C(=O)C[C@@H](C)CO 1458a_100009822183_100000059175 [0,2,0,0,0,0|0,0,0]=2 5136 B11R0.43 CCC[C@H](O)C(=O)NC(C)CC 240690a_100000209981_100009822183 [0,2,0,0,0,0|0,0,0]=2 5137 B11R0.43 CCC[C@H](O)C(=O)N[C@H](C)CF 240690a_100102880703_100009822183 [0,2,0,0,0,0|1,0,0]=3 5138 B11R0.43 CCC[C@H](O)C(=O)N[C@H](C)CO 240690a_100000737577_100009822183 [0,2,0,0,0,0|1,0,0]=3 5139 B11R0.43 CCN(C)CC(=O)C(C)CCO 1458a_100116209913_100009893172 [0,2,0,0,0,0|2,0,0]=4 5140 B11R0.43 CCN(C)CC(=O)C(C)COC 1458a_100116209913_100000765312 [0,2,0,0,0,0|2,0,0]=4 5141 B11R0.43 CCN(C)CC(C)C(=O)CCF 1458a_200015185930_100011217306 [0,2,0,0,0,0|2,0,0]=4 5142 B11R0.43 CCN(C)CC(C)C(=O)CCO 1458a_200015185930_100000211926 [0,2,0,0,0,0|2,0,0]=4 5143 B11R0.43 CCNC(=O)C(C)CN(C)CC 11a_100015525214_200015185930 [0,2,0,0,0,0|2,0,0]=4 5144 B11R0.43 CCNC(=O)C(C)CN(C)CC 240690a_100015525214_200015185930 [0,2,0,0,0,0|2,0,0]=4 5145 B11R0.43 CCNC(=O)C(C)NC(C)CC 2230a_100000209981_100000230173 [0,2,0,0,0,0|2,0,0]=4 5146 B11R0.43 CCNC(=O)C(C)NC(C)CC 2230a_100000736553_100000758301 [0,2,0,0,0,0|2,0,0]=4 5147 B11R0.43 CCNC(=O)C(C)NC(C)CC 34a_100000736553_100011215416 [0,2,0,0,0,0|2,0,0]=4 5148 B11R0.43 CCNC(=O)C(C)OC(C)CC 7a_100000210228_100000230173 [0,2,0,0,0,0|2,0,0]=4 5149 B11R0.43 CCNC(=O)C(C)SC(C)CC 62a_100000230173_100000758301 [0,2,0,0,0,0|2,0,0]=4 5150 B11R0.43 CCNC(=O)C(C)SC(C)CC 62a_100000758301_100000230173 [0,2,0,0,0,0|2,0,0]=4 5151 B11R0.43 CCNC(C)C(=O)NC(C)CC 2230a_100015525214_100000735909 [0,2,0,0,0,0|2,0,0]=4 5152 B11R0.43 CCOC(=O)C(C)NC(C)CC 2230a_100000209981_100011215307 [0,2,0,0,0,0|2,0,0]=4 5153 B11R0.43 CCOC(=O)C(C)OC(C)CC 7a_100000210228_100011216346 [0,2,0,0,0,0|2,0,0]=4 5154 B11R0.43 CCOC(=O)C(C)SC(C)CC 62a_100000758301_100011216346 [0,2,0,0,0,0|2,0,0]=4 5155 B11R0.43 CCOC(=O)C(C)SC(C)CC 62a_100011216346_100000758301 [0,2,0,0,0,0|2,0,0]=4 5156 B11R0.43 CCOC(=O)C(F)NC(C)CC 2230a_100000209981_100000760018 [0,2,0,0,0,0|2,0,0]=4 5157 B11R0.43 CCOC(=O)C(F)OC(C)CC 7a_100000210228_100000040065 [0,2,0,0,0,0|2,0,0]=4 5158 B11R0.43 CCOC(=O)C(F)SC(C)CC 62a_100000758301_100000760018 [0,2,0,0,0,0|2,0,0]=4 5159 B11R0.43 CCOC(=O)C(F)SC(C)CC 62a_100000760018_100000758301 [0,2,0,0,0,0|2,0,0]=4 5160 B11R0.43 CCOC(=O)[C@H](C)OC(C)CC 7a_100000751109_100000758301 [0,2,0,0,0,0|2,0,0]=4 5161 B11R0.43 CCOC(C)C(=O)CC(=O)CC 1458a_100000739345_100000747405 [0,2,0,0,0,0|2,0,0]=4 5162 B11R0.43 CCOC(C)C(=O)CC(C)CC 1458a_100000739345_100000748023 [0,2,0,0,0,0|2,0,0]=4 5163 B11R0.43 CCOC(C)C(=O)CC(O)CC 1458a_100000739345_100011218378 [0,2,0,0,0,0|2,0,0]=4 5164 B11R0.43 CCOC(C)C(=O)C[C@@H](C)CC 1458a_100000739345_100009816398 [0,2,0,0,0,0|2,0,0]=4 5165 B11R0.43 CCOC(C)C(=O)C[C@@H](C)CO 1458a_100000739345_100000059175 [0,2,0,0,0,0|2,0,0]=4 5166 B11R0.43 CCOC(C)C(=O)NC(C)CC 11a_100000209981_100000739345 [0,2,0,0,0,0|2,0,0]=4 5167 B11R0.43 CCOC(C)C(=O)NC(C)CC 1626a_100000209981_100000739345 [0,2,0,0,0,0|2,0,0]=4 5168 B11R0.43 CCOC(C)C(=O)NC(C)CC 240690a_100000209981_100000739345 [0,2,0,0,0,0|2,0,0]=4 5169 B11R0.43 CCOC(C)C(=O)NC(C)CC 527a_100000209981_100000739345 [0,2,0,0,0,0|2,0,0]=4 5170 B11R0.43 CCSC(=O)[C@H](C)NC(C)CC 2230a_100103168634_100000758301 [0,2,0,0,0,0|2,0,0]=4 5171 B11R0.43 CCSC(C)C(=O)CC(=O)CC 1458a_100000230601_100000747405 [0,2,0,0,0,0|2,0,0]=4 5172 B11R0.43 CCSC(C)C(=O)CC(C)CC 1458a_100000230601_100000748023 [0,2,0,0,0,0|2,0,0]=4 5173 B11R0.43 CCSC(C)C(=O)CC(O)CC 1458a_100000230601_100011218378 [0,2,0,0,0,0|2,0,0]=4 5174 B11R0.43 CCSC(C)C(=O)C[C@@H](C)CC 1458a_100000230601_100009816398 [0,2,0,0,0,0|2,0,0]=4 5175 B11R0.43 CCSC(C)C(=O)C[C@@H](C)CO 1458a_100000230601_100000059175 [0,2,0,0,0,0|2,0,0]=4 5176 B11R0.43 CCSC(C)C(=O)NC(C)CC 11a_100000209981_100000230601 [0,2,0,0,0,0|2,0,0]=4 5177 B11R0.43 CCSC(C)C(=O)NC(C)CC 1626a_100000209981_100000230601 [0,2,0,0,0,0|2,0,0]=4 5178 B11R0.43 CCSC(C)C(=O)NC(C)CC 240690a_100000209981_100000230601 [0,2,0,0,0,0|2,0,0]=4 5179 B11R0.43 CCSC(C)C(=O)NC(C)CC 527a_100000209981_100000230601 [0,2,0,0,0,0|2,0,0]=4 5180 B11R0.43 CCSC(C)C(=O)NC(C)CC 62a_100000210202_100000735909 [0,2,0,0,0,0|2,0,0]=4 5181 B11R0.43 CCSC(C)C(=O)NC(C)CC 62a_100000735909_100000210202 [0,2,0,0,0,0|2,0,0]=4 5182 B11R0.43 CC[C@H](C)CC(=O)C(C)COC 1458a_100000751857_100009816398 [0,2,0,0,0,0|2,0,0]=4 5183 B11R0.43 CC[C@H](C)CC(=O)C(C)CSC 1458a_100000753918_100009816398 [0,2,0,0,0,0|2,0,0]=4 5184 B11R0.43 COCC(C)C(=O)C[C@@H](C)CO 1458a_100000751857_100000059175 [0,2,0,0,0,0|2,0,0]=4 5185 B11R0.43 CSCC(C)C(=O)C[C@@H](C)CO 1458a_100000753918_100000059175 [0,2,0,0,0,0|2,0,0]=4 5186 B11R0.59 C=C(C)CCC(=O)C(C)CCC 1458a_100000210906_100000730704 [0,2,0,0,0,0|1,0,0]=3 5187 B11R0.59 C=C(C)CCC(=O)C(C)CCC 1458a_200000688413_100000766640 [0,2,0,0,0,0|1,0,0]=3 5188 B11R0.59 C=C(C)CCC(=O)C(C)CCO 1458a_200000688413_100009893172 [0,2,0,0,0,0|2,0,0]=4 5189 B11R0.59 C=C(C)CCC(=O)C(C)COC 1458a_100000751857_100000730704 [0,2,0,0,0,0|2,0,0]=4 5190 B11R0.59 C=C(C)CCC(=O)C(C)COC 1458a_200000688413_100000765312 [0,2,0,0,0,0|2,0,0]=4 5191 B11R0.59 C=C(C)CCC(=O)C(C)CSC 1458a_100000753918_100000730704 [0,2,0,0,0,0|2,0,0]=4 5192 B11R0.59 C=C(C)CCC(=O)C(C)OCC 1458a_100000739345_100000730704 [0,2,0,0,0,0|2,0,0]=4 5193 B11R0.59 C=C(C)CCC(=O)C(C)SCC 1458a_100000230601_100000730704 [0,2,0,0,0,0|2,0,0]=4 5194 B11R0.59 C=C(C)CCC(=O)N(C)CCC 11a_100000747261_200000688413 [0,2,0,0,0,0|2,0,0]=4 5195 B11R0.59 C=C(C)CCC(=O)N(C)CCC 1626a_100000747261_200000688413 [0,2,0,0,0,0|2,0,0]=4 5196 B11R0.59 C=C(C)CCC(=O)N(C)CCC 240690a_100000747261_200000688413 [0,2,0,0,0,0|2,0,0]=4 5197 B11R0.59 C=C(C)CCC(=O)N(C)CCC 527a_100000747261_200000688413 [0,2,0,0,0,0|2,0,0]=4 5198 B11R0.59 C=C(C)CCC(=O)[C@@H](O)CCC 1458a_100009822183_100000730704 [0,2,0,0,0,0|0,0,0]=2 5199 B11R0.59 C=C(C)CNC(=O)C(C)CCC 11a_100000765925_100000210906 [0,2,0,0,0,0|1,0,1]=4 5200 B11R0.59 C=C(C)CNC(=O)C(C)CCC 1626a_100000765925_100000210906 [0,2,0,0,0,0|1,0,1]=4 5201 B11R0.59 C=C(C)CNC(=O)C(C)CCC 240690a_100000765925_100000210906 [0,2,0,0,0,0|1,0,1]=4 5202 B11R0.59 C=C(C)CNC(=O)C(C)CCC 527a_100000765925_100000210906 [0,2,0,0,0,0|1,0,1]=4 5203 B11R0.59 C=C(C)CNC(=O)[C@@H](O)CCC 240690a_100000765925_100009822183 [0,2,0,0,0,0|0,0,1]=3 5204 B11R0.59 CC(C)CCC(=O)C(C)CCO 1458a_100000181311_100009893172 [0,2,0,0,0,0|2,0,0]=4 5205 B11R0.59 CC(C)CCC(C)C(=O)CCO 1458a_100011216618_100011261404 [0,2,0,0,0,0|2,0,0]=4 5206 B11R0.59 CC(C)OCC(=O)C(C)CCO 1458a_100000745533_100009893172 [0,2,0,0,0,0|2,0,0]=4 5207 B11R0.59 CC(C)SCC(=O)C(C)CCO 1458a_100000241585_100009893172 [0,2,0,0,0,0|2,0,0]=4 5208 B11R0.59 CC(CCO)C(=O)CC[S+](C)C 1458a_100009452791_100009893172 [0,2,0,0,0,0|2,0,0]=4 5209 B11R0.59 CCCC(=O)C(=O)NCC(C)C 1458a_200011297155_100000210303 [0,2,0,0,0,0|0,0,2]=4 5210 B11R0.59 CCCC(=O)C(C)CCC(C)C 1458a_100000211992_100011261404 [0,2,0,0,0,0|1,0,0]=3 5211 B11R0.59 CCCC(=O)N(C)CCC(C)C 11a_100000742789_100000211992 [0,2,0,0,0,0|2,0,0]=4 5212 B11R0.59 CCCC(=O)N(C)CCC(C)C 1626a_100000742789_100000211992 [0,2,0,0,0,0|2,0,0]=4 5213 B11R0.59 CCCC(=O)N(C)CCC(C)C 240690a_100000742789_100000211992 [0,2,0,0,0,0|2,0,0]=4 5214 B11R0.59 CCCC(=O)N(C)CCC(C)C 527a_100000742789_100000211992 [0,2,0,0,0,0|2,0,0]=4 5215 B11R0.59 CCCC(=O)N(C)CCN(C)C 240690a_100000225618_100000211992 [0,2,0,0,0,0|2,0,0]=4 5216 B11R0.59 CCCC(=O)N(C)CCN(C)C 527a_100000225618_100000211992 [0,2,0,0,0,0|2,0,0]=4 5217 B11R0.59 CCCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000210303 [0,2,0,0,0,0|1,0,1]=4 5218 B11R0.59 CCCC(C)C(=O)C=CC(C)C 1458a_100016268746_100000766640 [0,2,0,0,0,0|1,0,1]=4 5219 B11R0.59 CCCC(C)C(=O)CC=C(C)C 1458a_100000210906_100000761012 [0,2,0,0,0,0|1,0,1]=4 5220 B11R0.59 CCCC(C)C(=O)CC=C(C)C 1458a_100011220947_100000766640 [0,2,0,0,0,0|1,0,1]=4 5221 B11R0.59 CCCC(C)C(=O)CCC(=O)N 1458a_100011215257_100000766640 [0,2,0,0,0,0|1,0,1]=4 5222 B11R0.59 CCCC(C)C(=O)CCC(C)C 1458a_100000181311_100000766640 [0,2,0,0,0,0|1,0,0]=3 5223 B11R0.59 CCCC(C)C(=O)CCC(C)C 1458a_100000210906_100000210312 [0,2,0,0,0,0|1,0,0]=3 5224 B11R0.59 CCCC(C)C(=O)CCC(C)O 1458a_100000210906_100012276601 [0,2,0,0,0,0|1,0,0]=3 5225 B11R0.59 CCCC(C)C(=O)CC[N+](=O)[O-] 1458a_200000064761_100000766640 [0,2,0,0,0,0|2,0,0]=4 5226 B11R0.59 CCCC(C)C(=O)CC[S+](C)C 1458a_100009452791_100000766640 [0,2,0,0,0,0|1,0,0]=3 5227 B11R0.59 CCCC(C)C(=O)CNC(=O)C 1458a_100000194580_100000766640 [0,2,0,0,0,0|1,0,1]=4 5228 B11R0.59 CCCC(C)C(=O)COC(=O)C 1458a_100000183556_100000766640 [0,2,0,0,0,0|1,0,1]=4 5229 B11R0.59 CCCC(C)C(=O)COC(C)C 1458a_100000745533_100000766640 [0,2,0,0,0,0|1,0,0]=3 5230 B11R0.59 CCCC(C)C(=O)COC(F)F 1458a_200000719455_100000766640 [0,2,0,0,0,0|2,0,0]=4 5231 B11R0.59 CCCC(C)C(=O)CSC(=O)C 1458a_100000049016_100000766640 [0,2,0,0,0,0|1,0,1]=4 5232 B11R0.59 CCCC(C)C(=O)CSC(C)C 1458a_100000241585_100000766640 [0,2,0,0,0,0|1,0,0]=3 5233 B11R0.59 CCCC(C)C(=O)CSC(F)F 1458a_114828291038_100000766640 [0,2,0,0,0,0|2,0,0]=4 5234 B11R0.59 CCCC(C)C(=O)NCC(C)C 11a_100000210953_100000210906 [0,2,0,0,0,0|1,0,0]=3 5235 B11R0.59 CCCC(C)C(=O)NCC(C)C 1626a_100000210953_100000210906 [0,2,0,0,0,0|1,0,0]=3 5236 B11R0.59 CCCC(C)C(=O)NCC(C)C 240690a_100000210953_100000210906 [0,2,0,0,0,0|1,0,0]=3 5237 B11R0.59 CCCC(C)C(=O)NCC(C)C 527a_100000210953_100000210906 [0,2,0,0,0,0|1,0,0]=3 5238 B11R0.59 CCCC(C)C(=O)NCC(C)O 11a_100000210904_100000210906 [0,2,0,0,0,0|1,0,0]=3 5239 B11R0.59 CCCC(C)C(=O)NCC(C)O 240690a_100000210904_100000210906 [0,2,0,0,0,0|1,0,0]=3 5240 B11R0.59 CCCC(C)C(=O)NCC(C)O 527a_100000210904_100000210906 [0,2,0,0,0,0|1,0,0]=3 5241 B11R0.59 CCCC(C)C(=O)NCC(F)F 11a_100000765723_100000210906 [0,2,0,0,0,0|2,0,0]=4 5242 B11R0.59 CCCC(C)C(=O)NCC(F)F 1626a_100000765723_100000210906 [0,2,0,0,0,0|2,0,0]=4 5243 B11R0.59 CCCC(C)C(=O)NCC(F)F 240690a_100000765723_100000210906 [0,2,0,0,0,0|2,0,0]=4 5244 B11R0.59 CCCC(C)C(=O)NCC(F)F 527a_100000765723_100000210906 [0,2,0,0,0,0|2,0,0]=4 5245 B11R0.59 CCCC(C)C(=O)NNC(C)C 22a_100000741168_100000210906 [0,2,0,0,0,0|2,0,0]=4 5246 B11R0.59 CCCN(C)C(=O)CCC(C)C 11a_100000747261_100000181311 [0,2,0,0,0,0|2,0,0]=4 5247 B11R0.59 CCCN(C)C(=O)CCC(C)C 1626a_100000747261_100000181311 [0,2,0,0,0,0|2,0,0]=4 5248 B11R0.59 CCCN(C)C(=O)CCC(C)C 240690a_100000747261_100000181311 [0,2,0,0,0,0|2,0,0]=4 5249 B11R0.59 CCCN(C)C(=O)CCC(C)C 527a_100000747261_100000181311 [0,2,0,0,0,0|2,0,0]=4 5250 B11R0.59 CCCN(C)C(=O)CCC(C)O 1626a_100000747261_100000718519 [0,2,0,0,0,0|2,0,0]=4 5251 B11R0.59 CCCN(C)C(=O)CCN(C)C 11a_100000747261_100000689311 [0,2,0,0,0,0|2,0,0]=4 5252 B11R0.59 CCCN(C)C(=O)CCN(C)C 240690a_100000747261_100000689311 [0,2,0,0,0,0|2,0,0]=4 5253 B11R0.59 CCCN(C)C(=O)CCN(C)C 527a_100000747261_100000689311 [0,2,0,0,0,0|2,0,0]=4 5254 B11R0.59 CCCN(C)C(=O)CC[S+](C)C 11a_100000747261_100009452791 [0,2,0,0,0,0|2,0,0]=4 5255 B11R0.59 CCCN(C)C(=O)CC[S+](C)C 1626a_100000747261_100009452791 [0,2,0,0,0,0|2,0,0]=4 5256 B11R0.59 CCCN(C)C(=O)CC[S+](C)C 240690a_100000747261_100009452791 [0,2,0,0,0,0|2,0,0]=4 5257 B11R0.59 CCCN(C)C(=O)COC(C)C 11a_100000747261_100000745533 [0,2,0,0,0,0|2,0,0]=4 5258 B11R0.59 CCCN(C)C(=O)COC(C)C 1626a_100000747261_100000745533 [0,2,0,0,0,0|2,0,0]=4 5259 B11R0.59 CCCN(C)C(=O)COC(C)C 240690a_100000747261_100000745533 [0,2,0,0,0,0|2,0,0]=4 5260 B11R0.59 CCCN(C)C(=O)COC(C)C 527a_100000747261_100000745533 [0,2,0,0,0,0|2,0,0]=4 5261 B11R0.59 CCCN(C)C(=O)CSC(C)C 11a_100000747261_100000241585 [0,2,0,0,0,0|2,0,0]=4 5262 B11R0.59 CCCN(C)C(=O)CSC(C)C 1626a_100000747261_100000241585 [0,2,0,0,0,0|2,0,0]=4 5263 B11R0.59 CCCN(C)C(=O)CSC(C)C 240690a_100000747261_100000241585 [0,2,0,0,0,0|2,0,0]=4 5264 B11R0.59 CCCN(C)C(=O)CSC(C)C 527a_100000747261_100000241585 [0,2,0,0,0,0|2,0,0]=4 5265 B11R0.59 CCCN(C)C(=O)NCC(C)C 2708a_100000210953_100000747261 [0,2,0,0,0,0|2,0,0]=4 5266 B11R0.59 CCCN(C)C(=O)NCC(C)C 273464a_100000210953_100000747261 [0,2,0,0,0,0|2,0,0]=4 5267 B11R0.59 CCCN(C)C(=O)NCC(C)O 273464a_100000210904_100000747261 [0,2,0,0,0,0|2,0,0]=4 5268 B11R0.59 CCC[C@H](O)C(=O)CC=C(C)C 1458a_100009822183_100000761012 [0,2,0,0,0,0|0,0,1]=3 5269 B11R0.59 CCC[C@H](O)C(=O)CCC(C)C 1458a_100009822183_100000210312 [0,2,0,0,0,0|0,0,0]=2 5270 B11R0.59 CCC[C@H](O)C(=O)CCC(C)O 1458a_100009822183_100012276601 [0,2,0,0,0,0|0,0,0]=2 5271 B11R0.59 CCC[C@H](O)C(=O)NCC(=O)N 240690a_100000711301_100009822183 [0,2,0,0,0,0|1,0,1]=4 5272 B11R0.59 CCC[C@H](O)C(=O)NCC(C)C 240690a_100000210953_100009822183 [0,2,0,0,0,0|0,0,0]=2 5273 B11R0.59 CCC[C@H](O)C(=O)NCC(C)O 240690a_100000210904_100009822183 [0,2,0,0,0,0|0,0,0]=2 5274 B11R0.59 CCC[C@H](O)C(=O)NCC(F)F 240690a_100000765723_100009822183 [0,2,0,0,0,0|1,0,0]=3 5275 B11R0.59 CCC[C@H](O)C(=O)NNC(=O)C 22a_100000189765_100009822183 [0,2,0,0,0,0|1,0,1]=4 5276 B11R0.59 CCC[C@H](O)C(=O)NNC(C)C 22a_100000741168_100009822183 [0,2,0,0,0,0|1,0,0]=3 5277 B11R0.59 CCNC(=O)C(C)NCC(C)C 2230a_100000210953_100000230173 [0,2,0,0,0,0|2,0,0]=4 5278 B11R0.59 CCNC(=O)C(C)NCC(C)C 2230a_100000736553_100000210760 [0,2,0,0,0,0|2,0,0]=4 5279 B11R0.59 CCNC(=O)C(C)NCC(C)C 270004a_100000736553_100000210432 [0,2,0,0,0,0|2,0,0]=4 5280 B11R0.59 CCNC(=O)C(C)NCC(C)C 34a_100000210953_100000230173 [0,2,0,0,0,0|2,0,0]=4 5281 B11R0.59 CCNC(=O)C(C)NCC(C)C 34a_100000736553_100000210624 [0,2,0,0,0,0|2,0,0]=4 5282 B11R0.59 CCNC(=O)C(C)NCC(C)O 2230a_100000210904_100000230173 [0,2,0,0,0,0|2,0,0]=4 5283 B11R0.59 CCNC(=O)C(C)NCC(C)O 2230a_100000736553_100011218427 [0,2,0,0,0,0|2,0,0]=4 5284 B11R0.59 CCNC(=O)C(C)NCC(C)O 34a_100000210904_100000230173 [0,2,0,0,0,0|2,0,0]=4 5285 B11R0.59 CCNC(=O)C(C)NCC(C)O 34a_100000736553_100011218427 [0,2,0,0,0,0|2,0,0]=4 5286 B11R0.59 CCNC(=O)C(C)NC[C@@H](C)O 2230a_100000736553_100009817552 [0,2,0,0,0,0|2,0,0]=4 5287 B11R0.59 CCNC(=O)C(C)NC[C@@H](C)O 34a_100000736553_100009817552 [0,2,0,0,0,0|2,0,0]=4 5288 B11R0.59 CCNC(=O)C(C)OCC(C)Br 34a_100012180447_100000230173 [0,2,0,0,0,0|2,0,0]=4 5289 B11R0.59 CCNC(=O)C(C)OCC(C)C 34a_100000210257_100000230173 [0,2,0,0,0,0|2,0,0]=4 5290 B11R0.59 CCNC(=O)C(C)OCC(C)F 34a_100015925927_100000230173 [0,2,0,0,0,0|2,0,0]=4 5291 B11R0.59 CCNC(=O)C(C)OC[C@@H](C)Cl 34a_100016084084_100000230173 [0,2,0,0,0,0|2,0,0]=4 5292 B11R0.59 CCNC(=O)C(C)OC[C@@H](C)N 34a_100000737577_100000230173 [0,2,0,0,0,0|2,0,0]=4 5293 B11R0.59 CCNC(=O)C(C)SCC(C)C 62a_100000210624_100000230173 [0,2,0,0,0,0|2,0,0]=4 5294 B11R0.59 CCNC(=O)C(C)SCC(C)C 62a_100000230173_100000210760 [0,2,0,0,0,0|2,0,0]=4 5295 B11R0.59 CCNC(=O)C(C)SCC(C)O 62a_100000230173_100011218427 [0,2,0,0,0,0|2,0,0]=4 5296 B11R0.59 CCNC(=O)C(C)SCC(C)O 62a_100011218427_100000230173 [0,2,0,0,0,0|2,0,0]=4 5297 B11R0.59 CCNC(=O)C(C)SC[C@@H](C)O 62a_100000230173_100009817552 [0,2,0,0,0,0|2,0,0]=4 5298 B11R0.59 CCNC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100000230173 [0,2,0,0,0,0|2,0,0]=4 5299 B11R0.59 CCNC(C)C(=O)NCC(C)C 2230a_100015525214_100000230289 [0,2,0,0,0,0|2,0,0]=4 5300 B11R0.59 CCNC(C)C(=O)NCC(C)C 2230a_100025753496_100000210202 [0,2,0,0,0,0|2,0,0]=4 5301 B11R0.59 CCNC(C)C(=O)NCC(C)C 34a_100025753496_100000210202 [0,2,0,0,0,0|2,0,0]=4 5302 B11R0.59 CCOC(=O)C(C)NCC(C)C 2230a_100000210953_100011215307 [0,2,0,0,0,0|2,0,0]=4 5303 B11R0.59 CCOC(=O)C(C)NCC(C)C 34a_100000210953_100011216346 [0,2,0,0,0,0|2,0,0]=4 5304 B11R0.59 CCOC(=O)C(C)NCC(C)O 2230a_100000210904_100011215307 [0,2,0,0,0,0|2,0,0]=4 5305 B11R0.59 CCOC(=O)C(C)NCC(C)O 34a_100000210904_100011216346 [0,2,0,0,0,0|2,0,0]=4 5306 B11R0.59 CCOC(=O)C(C)OCC(C)Br 34a_100012180447_100011216346 [0,2,0,0,0,0|2,0,0]=4 5307 B11R0.59 CCOC(=O)C(C)OCC(C)C 34a_100000210257_100011216346 [0,2,0,0,0,0|2,0,0]=4 5308 B11R0.59 CCOC(=O)C(C)OCC(C)F 34a_100015925927_100011216346 [0,2,0,0,0,0|2,0,0]=4 5309 B11R0.59 CCOC(=O)C(C)OC[C@@H](C)Cl 34a_100016084084_100011216346 [0,2,0,0,0,0|2,0,0]=4 5310 B11R0.59 CCOC(=O)C(C)OC[C@@H](C)N 34a_100000737577_100011216346 [0,2,0,0,0,0|2,0,0]=4 5311 B11R0.59 CCOC(=O)C(C)SCC(C)C 62a_100000210624_100011216346 [0,2,0,0,0,0|2,0,0]=4 5312 B11R0.59 CCOC(=O)C(C)SCC(C)C 62a_100011216346_100000210760 [0,2,0,0,0,0|2,0,0]=4 5313 B11R0.59 CCOC(=O)C(C)SCC(C)O 62a_100011216346_100011218427 [0,2,0,0,0,0|2,0,0]=4 5314 B11R0.59 CCOC(=O)C(C)SCC(C)O 62a_100011218427_100011216346 [0,2,0,0,0,0|2,0,0]=4 5315 B11R0.59 CCOC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100011216346 [0,2,0,0,0,0|2,0,0]=4 5316 B11R0.59 CCOC(=O)C(C)SC[C@@H](C)O 62a_100011216346_100009817552 [0,2,0,0,0,0|2,0,0]=4 5317 B11R0.59 CCOC(=O)C(F)NCC(C)C 2230a_100000210953_100000760018 [0,2,0,0,0,0|2,0,0]=4 5318 B11R0.59 CCOC(=O)C(F)NCC(C)C 34a_100000210953_100000760018 [0,2,0,0,0,0|2,0,0]=4 5319 B11R0.59 CCOC(=O)C(F)NCC(C)O 2230a_100000210904_100000760018 [0,2,0,0,0,0|2,0,0]=4 5320 B11R0.59 CCOC(=O)C(F)NCC(C)O 34a_100000210904_100000760018 [0,2,0,0,0,0|2,0,0]=4 5321 B11R0.59 CCOC(=O)C(F)OCC(C)Br 34a_100012180447_100000760018 [0,2,0,0,0,0|2,0,0]=4 5322 B11R0.59 CCOC(=O)C(F)OCC(C)C 34a_100000210257_100000760018 [0,2,0,0,0,0|2,0,0]=4 5323 B11R0.59 CCOC(=O)C(F)OCC(C)F 34a_100015925927_100000760018 [0,2,0,0,0,0|2,0,0]=4 5324 B11R0.59 CCOC(=O)C(F)OC[C@@H](C)Cl 34a_100016084084_100000760018 [0,2,0,0,0,0|2,0,0]=4 5325 B11R0.59 CCOC(=O)C(F)OC[C@@H](C)N 34a_100000737577_100000760018 [0,2,0,0,0,0|2,0,0]=4 5326 B11R0.59 CCOC(=O)C(F)SCC(C)C 62a_100000210624_100000760018 [0,2,0,0,0,0|2,0,0]=4 5327 B11R0.59 CCOC(=O)C(F)SCC(C)C 62a_100000760018_100000210760 [0,2,0,0,0,0|2,0,0]=4 5328 B11R0.59 CCOC(=O)C(F)SCC(C)O 62a_100000760018_100011218427 [0,2,0,0,0,0|2,0,0]=4 5329 B11R0.59 CCOC(=O)C(F)SCC(C)O 62a_100011218427_100000760018 [0,2,0,0,0,0|2,0,0]=4 5330 B11R0.59 CCOC(=O)C(F)SC[C@@H](C)O 62a_100000760018_100009817552 [0,2,0,0,0,0|2,0,0]=4 5331 B11R0.59 CCOC(=O)C(F)SC[C@@H](C)O 62a_100009817552_100000760018 [0,2,0,0,0,0|2,0,0]=4 5332 B11R0.59 CCOC(=O)[C@H](C)OCC(C)C 7a_100000751109_100000210760 [0,2,0,0,0,0|2,0,0]=4 5333 B11R0.59 CCOC(=O)[C@H](C)OCC(C)O 7a_100000751109_100011218427 [0,2,0,0,0,0|2,0,0]=4 5334 B11R0.59 CCOC(=O)[C@H](C)OC[C@@H](C)O 7a_100000751109_100009817552 [0,2,0,0,0,0|2,0,0]=4 5335 B11R0.59 CCOC(C)C(=O)CCC(C)C 1458a_100000739345_100000210312 [0,2,0,0,0,0|2,0,0]=4 5336 B11R0.59 CCOC(C)C(=O)CCC(C)O 1458a_100000739345_100012276601 [0,2,0,0,0,0|2,0,0]=4 5337 B11R0.59 CCOC(C)C(=O)NCC(C)C 11a_100000210953_100000739345 [0,2,0,0,0,0|2,0,0]=4 5338 B11R0.59 CCOC(C)C(=O)NCC(C)C 1626a_100000210953_100000739345 [0,2,0,0,0,0|2,0,0]=4 5339 B11R0.59 CCOC(C)C(=O)NCC(C)C 240690a_100000210953_100000739345 [0,2,0,0,0,0|2,0,0]=4 5340 B11R0.59 CCOC(C)C(=O)NCC(C)C 34a_100121572206_100000230289 [0,2,0,0,0,0|2,0,0]=4 5341 B11R0.59 CCOC(C)C(=O)NCC(C)C 527a_100000210953_100000739345 [0,2,0,0,0,0|2,0,0]=4 5342 B11R0.59 CCOC(C)C(=O)NCC(C)O 11a_100000210904_100000739345 [0,2,0,0,0,0|2,0,0]=4 5343 B11R0.59 CCOC(C)C(=O)NCC(C)O 240690a_100000210904_100000739345 [0,2,0,0,0,0|2,0,0]=4 5344 B11R0.59 CCOC(C)C(=O)NCC(C)O 527a_100000210904_100000739345 [0,2,0,0,0,0|2,0,0]=4 5345 B11R0.59 CCSC(=O)[C@H](C)NCC(C)C 2230a_100103168634_100000210760 [0,2,0,0,0,0|2,0,0]=4 5346 B11R0.59 CCSC(=O)[C@H](C)NCC(C)O 2230a_100103168634_100011218427 [0,2,0,0,0,0|2,0,0]=4 5347 B11R0.59 CCSC(=O)[C@H](C)NC[C@@H](C)O 2230a_100103168634_100009817552 [0,2,0,0,0,0|2,0,0]=4 5348 B11R0.59 CCSC(C)C(=O)CCC(C)C 1458a_100000230601_100000210312 [0,2,0,0,0,0|2,0,0]=4 5349 B11R0.59 CCSC(C)C(=O)CCC(C)O 1458a_100000230601_100012276601 [0,2,0,0,0,0|2,0,0]=4 5350 B11R0.59 CCSC(C)C(=O)NCC(C)C 11a_100000210953_100000230601 [0,2,0,0,0,0|2,0,0]=4 5351 B11R0.59 CCSC(C)C(=O)NCC(C)C 1626a_100000210953_100000230601 [0,2,0,0,0,0|2,0,0]=4 5352 B11R0.59 CCSC(C)C(=O)NCC(C)C 240690a_100000210953_100000230601 [0,2,0,0,0,0|2,0,0]=4 5353 B11R0.59 CCSC(C)C(=O)NCC(C)C 527a_100000210953_100000230601 [0,2,0,0,0,0|2,0,0]=4 5354 B11R0.59 CCSC(C)C(=O)NCC(C)C 62a_100000210202_100000230289 [0,2,0,0,0,0|2,0,0]=4 5355 B11R0.59 CCSC(C)C(=O)NCC(C)C 62a_100000230289_100000210202 [0,2,0,0,0,0|2,0,0]=4 5356 B11R0.59 CCSC(C)C(=O)NCC(C)O 11a_100000210904_100000230601 [0,2,0,0,0,0|2,0,0]=4 5357 B11R0.59 CCSC(C)C(=O)NCC(C)O 240690a_100000210904_100000230601 [0,2,0,0,0,0|2,0,0]=4 5358 B11R0.59 CCSC(C)C(=O)NCC(C)O 527a_100000210904_100000230601 [0,2,0,0,0,0|2,0,0]=4 5359 B11R0.59 COCC(=O)C(C)CCC(C)C 1458a_100000210968_100011261404 [0,2,0,0,0,0|2,0,0]=4 5360 B11R0.59 COCC(C)C(=O)CCC(C)C 1458a_100000181311_100000765312 [0,2,0,0,0,0|2,0,0]=4 5361 B11R0.59 COCC(C)C(=O)CCC(C)C 1458a_100000751857_100000210312 [0,2,0,0,0,0|2,0,0]=4 5362 B11R0.59 COCC(C)C(=O)CCC(C)O 1458a_100000751857_100012276601 [0,2,0,0,0,0|2,0,0]=4 5363 B11R0.59 COCC(C)C(=O)CC[S+](C)C 1458a_100009452791_100000765312 [0,2,0,0,0,0|2,0,0]=4 5364 B11R0.59 COCC(C)C(=O)COC(C)C 1458a_100000745533_100000765312 [0,2,0,0,0,0|2,0,0]=4 5365 B11R0.59 COCC(C)C(=O)CSC(C)C 1458a_100000241585_100000765312 [0,2,0,0,0,0|2,0,0]=4 5366 B11R0.59 COCC(C)C(=O)NCC(C)C 11a_100000210953_100000751857 [0,2,0,0,0,0|2,0,0]=4 5367 B11R0.59 COCC(C)C(=O)NCC(C)C 1626a_100000210953_100000751857 [0,2,0,0,0,0|2,0,0]=4 5368 B11R0.59 COCC(C)C(=O)NCC(C)C 240690a_100000210953_100000751857 [0,2,0,0,0,0|2,0,0]=4 5369 B11R0.59 COCC(C)C(=O)NCC(C)C 527a_100000210953_100000751857 [0,2,0,0,0,0|2,0,0]=4 5370 B11R0.59 COCC(C)C(=O)NCC(C)O 11a_100000210904_100000751857 [0,2,0,0,0,0|2,0,0]=4 5371 B11R0.59 COCC(C)C(=O)NCC(C)O 240690a_100000210904_100000751857 [0,2,0,0,0,0|2,0,0]=4 5372 B11R0.59 COCC(C)C(=O)NCC(C)O 527a_100000210904_100000751857 [0,2,0,0,0,0|2,0,0]=4 5373 B11R0.59 CSCC(=O)C(C)CCC(C)C 1458a_100000184570_100011261404 [0,2,0,0,0,0|2,0,0]=4 5374 B11R0.59 CSCC(C)C(=O)CCC(C)C 1458a_100000753918_100000210312 [0,2,0,0,0,0|2,0,0]=4 5375 B11R0.59 CSCC(C)C(=O)CCC(C)O 1458a_100000753918_100012276601 [0,2,0,0,0,0|2,0,0]=4 5376 B11R0.59 CSCC(C)C(=O)NCC(C)C 11a_100000210953_100000753918 [0,2,0,0,0,0|2,0,0]=4 5377 B11R0.59 CSCC(C)C(=O)NCC(C)C 1626a_100000210953_100000753918 [0,2,0,0,0,0|2,0,0]=4 5378 B11R0.59 CSCC(C)C(=O)NCC(C)C 240690a_100000210953_100000753918 [0,2,0,0,0,0|2,0,0]=4 5379 B11R0.59 CSCC(C)C(=O)NCC(C)C 527a_100000210953_100000753918 [0,2,0,0,0,0|2,0,0]=4 5380 B11R0.59 CSCC(C)C(=O)NCC(C)O 11a_100000210904_100000753918 [0,2,0,0,0,0|2,0,0]=4 5381 B11R0.59 CSCC(C)C(=O)NCC(C)O 240690a_100000210904_100000753918 [0,2,0,0,0,0|2,0,0]=4 5382 B11R0.59 CSCC(C)C(=O)NCC(C)O 527a_100000210904_100000753918 [0,2,0,0,0,0|2,0,0]=4 5383 B11R0.68 C#CCCC(=O)C(C)CC(C)C 1458a_100000692101_100000731052 [0,2,0,0,0,0|1,0,1]=4 5384 B11R0.68 C#CCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000753159 [0,2,0,0,0,0|0,0,1]=3 5385 B11R0.68 C#CCNC(=O)[C@@H](O)CC(C)C 1626a_100000212058_100012027011 [0,2,0,0,0,0|0,0,2]=4 5386 B11R0.68 C#CCNC(=O)[C@@H](O)CC(C)C 240690a_100000212058_100012027011 [0,2,0,0,0,0|0,0,2]=4 5387 B11R0.68 C/C=C/CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100102629194 [0,2,0,0,0,0|0,0,1]=3 5388 B11R0.68 C=C(C)CC(=O)C(C)CCCC 1458a_100000725509_100000748629 [0,2,0,0,0,0|1,0,1]=4 5389 B11R0.68 C=C(C)CC(=O)C(O)CCCC 1458a_100000720857_100000748629 [0,2,0,0,0,0|0,0,1]=3 5390 B11R0.68 C=C(C)CC(=O)C(O)CCSC 1458a_100000685904_100000748629 [0,2,0,0,0,0|0,0,1]=3 5391 B11R0.68 C=C(CC(C)C)C(C)NCCC 269862a_100020643023_100009860644 [0,2,0,0,0,0|2,0,0]=4 5392 B11R0.68 C=C(F)CC(=O)C(O)CCCC 1458a_100000720857_100009893438 [0,2,0,0,0,0|0,0,2]=4 5393 B11R0.68 C=C(F)CC(=O)C(O)CCSC 1458a_100000685904_100009893438 [0,2,0,0,0,0|0,0,2]=4 5394 B11R0.68 C=CCCC(=O)C(C)CC(C)C 1458a_100000749702_100000731052 [0,2,0,0,0,0|1,0,1]=4 5395 B11R0.68 C=CCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000754431 [0,2,0,0,0,0|0,0,1]=3 5396 B11R0.68 C=CCNC(=O)[C@@H](O)CC(C)C 1626a_100020586998_100012027011 [0,2,0,0,0,0|0,0,2]=4 5397 B11R0.68 C=CCNC(=O)[C@@H](O)CC(C)C 240690a_100020586998_100012027011 [0,2,0,0,0,0|0,0,2]=4 5398 B11R0.68 CC#CCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000748600 [0,2,0,0,0,0|0,0,1]=3 5399 B11R0.68 CC(C)CC(=O)N(C)CCCO 240690a_100000213112_100000210554 [0,2,0,0,0,0|2,0,0]=4 5400 B11R0.68 CC(C)CC(=O)N(C)CCCO 527a_100000213112_100000210554 [0,2,0,0,0,0|2,0,0]=4 5401 B11R0.68 CC(C)CC(C)C(=O)CCC#N 1458a_100011934036_100000731052 [0,2,0,0,0,0|1,0,1]=4 5402 B11R0.68 CC(C)C[C@H](O)C(=O)CCC#N 1458a_100012027011_100011215226 [0,2,0,0,0,0|0,0,1]=3 5403 B11R0.68 CC(C)C[C@H](O)C(=O)CCCF 1458a_100012027011_100011934791 [0,2,0,0,0,0|0,0,0]=2 5404 B11R0.68 CC(C)C[C@H](O)C(=O)CCCO 1458a_100012027011_100011215043 [0,2,0,0,0,0|0,0,0]=2 5405 B11R0.68 CC(C)C[C@H](O)C(=O)NCC#N 1626a_100000734998_100012027011 [0,2,0,0,0,0|1,0,1]=4 5406 B11R0.68 CC(C)C[C@H](O)C(=O)NCCF 1626a_100000724931_100012027011 [0,2,0,0,0,0|1,0,0]=3 5407 B11R0.68 CC(C)C[C@H](O)C(=O)NCCF 240690a_100000724931_100012027011 [0,2,0,0,0,0|1,0,0]=3 5408 B11R0.68 CC(C)C[C@H](O)C(=O)NCCO 240690a_100000210304_100012027011 [0,2,0,0,0,0|1,0,0]=3 5409 B11R0.68 CC(CN(C)C)C(=O)CCCF 1458a_200015186601_100011934791 [0,2,0,0,0,0|2,0,0]=4 5410 B11R0.68 CC(CN(C)C)C(=O)CCCO 1458a_200015186601_100011215043 [0,2,0,0,0,0|2,0,0]=4 5411 B11R0.68 CC=CCC(=O)C(C)CC(C)C 1458a_100121576822_100000731052 [0,2,0,0,0,0|1,0,1]=4 5412 B11R0.68 CC=CCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000070051 [0,2,0,0,0,0|0,0,1]=3 5413 B11R0.68 CCC#CC(=O)C(C)CC(C)C 1458a_100011827653_100000731052 [0,2,0,0,0,0|1,0,1]=4 5414 B11R0.68 CCC/C=C(\C)/C(=O)CC(C)C 1458a_200020648666_100000210624 [0,2,0,0,0,0|1,0,1]=4 5415 B11R0.68 CCC/C=C(\C)/C(=O)CC(C)O 1458a_200020648666_100011218427 [0,2,0,0,0,0|1,0,1]=4 5416 B11R0.68 CCC=CC(=O)C(C)CC(C)C 1458a_100000212282_100000731052 [0,2,0,0,0,0|1,0,1]=4 5417 B11R0.68 CCCCC(=O)C(C)CC(C)C 1458a_100000210183_100000731052 [0,2,0,0,0,0|1,0,0]=3 5418 B11R0.68 CCCCC(=O)C(C)CN(C)C 1458a_200015186601_100000210211 [0,2,0,0,0,0|2,0,0]=4 5419 B11R0.68 CCCCC(=O)N(C)CC(C)C 11a_100000747067_100000210183 [0,2,0,0,0,0|2,0,0]=4 5420 B11R0.68 CCCCC(=O)N(C)CC(C)C 1626a_100000747067_100000210183 [0,2,0,0,0,0|2,0,0]=4 5421 B11R0.68 CCCCC(=O)N(C)CC(C)C 240690a_100000747067_100000210183 [0,2,0,0,0,0|2,0,0]=4 5422 B11R0.68 CCCCC(=O)N(C)CC(C)C 527a_100000747067_100000210183 [0,2,0,0,0,0|2,0,0]=4 5423 B11R0.68 CCCCC(=O)N(C)CC(C)O 240690a_100000227577_100000210183 [0,2,0,0,0,0|2,0,0]=4 5424 B11R0.68 CCCCC(=O)N(C)CC(C)O 527a_100000227577_100000210183 [0,2,0,0,0,0|2,0,0]=4 5425 B11R0.68 CCCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210211 [0,2,0,0,0,0|0,0,0]=2 5426 B11R0.68 CCCCC(C)C(=O)CC(C)C 1458a_100000210554_200011215066 [0,2,0,0,0,0|1,0,0]=3 5427 B11R0.68 CCCCC(C)C(=O)CC(C)C 1458a_100000725509_100000210624 [0,2,0,0,0,0|1,0,0]=3 5428 B11R0.68 CCCCC(C)C(=O)CC(C)O 1458a_100000725509_100011218427 [0,2,0,0,0,0|1,0,0]=3 5429 B11R0.68 CCCCC(C)C(=O)CC(F)F 1458a_100000725509_100011934356 [0,2,0,0,0,0|2,0,0]=4 5430 B11R0.68 CCCCC(C)C(=O)CN(C)C 1458a_100000750896_200011215066 [0,2,0,0,0,0|2,0,0]=4 5431 B11R0.68 CCCCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_200011215066 [0,2,0,0,0,0|1,0,0]=3 5432 B11R0.68 CCCCC(C)C(=O)C[S+](C)C 1458a_200159257847_200011215066 [0,2,0,0,0,0|2,0,0]=4 5433 B11R0.68 CCCCC(C)C(=O)NC(C)C 11a_100138425928_100000725509 [0,2,0,0,0,0|2,0,0]=4 5434 B11R0.68 CCCCC(C)C(=O)NC(C)C 1626a_100138425928_100000725509 [0,2,0,0,0,0|2,0,0]=4 5435 B11R0.68 CCCCC(C)C(=O)NC(C)C 240690a_100138425928_100000725509 [0,2,0,0,0,0|2,0,0]=4 5436 B11R0.68 CCCCC(C)C(=O)NC(C)C 527a_100138425928_100000725509 [0,2,0,0,0,0|2,0,0]=4 5437 B11R0.68 CCCCC(O)C(=O)CC(=O)N 1458a_100000720857_100000187820 [0,2,0,0,0,0|1,0,1]=4 5438 B11R0.68 CCCCC(O)C(=O)CC(=O)[O-] 1458a_100000720857_100020667443 [0,2,0,0,0,0|1,0,1]=4 5439 B11R0.68 CCCCC(O)C(=O)CC(C)C 1458a_100000720857_100000210624 [0,2,0,0,0,0|0,0,0]=2 5440 B11R0.68 CCCCC(O)C(=O)CC(C)O 1458a_100000720857_100011218427 [0,2,0,0,0,0|0,0,0]=2 5441 B11R0.68 CCCCC(O)C(=O)CC(F)F 1458a_100000720857_100011934356 [0,2,0,0,0,0|1,0,0]=3 5442 B11R0.68 CCCCC(O)C(=O)C[N+](=O)[O-] 1458a_100000720857_100000761209 [0,2,0,0,0,0|2,0,0]=4 5443 B11R0.68 CCCCC(O)C(=O)NC(C)C 240690a_100138425928_100000720857 [0,2,0,0,0,0|1,0,0]=3 5444 B11R0.68 CCCCC(O)C(=O)NC(C)C 527a_100138425928_100000720857 [0,2,0,0,0,0|1,0,0]=3 5445 B11R0.68 CCCCN(C)C(=O)CC(C)C 11a_100000207549_100000210554 [0,2,0,0,0,0|2,0,0]=4 5446 B11R0.68 CCCCN(C)C(=O)CC(C)C 1626a_100000207549_100000210554 [0,2,0,0,0,0|2,0,0]=4 5447 B11R0.68 CCCCN(C)C(=O)CC(C)C 240690a_100000207549_100000210554 [0,2,0,0,0,0|2,0,0]=4 5448 B11R0.68 CCCCN(C)C(=O)CC(C)C 527a_100000207549_100000210554 [0,2,0,0,0,0|2,0,0]=4 5449 B11R0.68 CCCCN(C)C(=O)C[C@@H](C)O 240690a_100000207549_100011933948 [0,2,0,0,0,0|2,0,0]=4 5450 B11R0.68 CCCNC(=O)C(=O)CC(C)C 1458a_200011297150_100000210624 [0,2,0,0,0,0|0,0,2]=4 5451 B11R0.68 CCCNC(=O)C(=O)CC(C)O 1458a_200011297150_100011218427 [0,2,0,0,0,0|0,0,2]=4 5452 B11R0.68 CCCNC(=O)C(C)CN(C)C 1626a_100020643023_200015186601 [0,2,0,0,0,0|2,0,0]=4 5453 B11R0.68 CCCNC(=O)C(C)CN(C)C 240690a_100020643023_200015186601 [0,2,0,0,0,0|2,0,0]=4 5454 B11R0.68 CCCNC(=O)C(C)NC(C)C 2230a_100025744714_100000210206 [0,2,0,0,0,0|2,0,0]=4 5455 B11R0.68 CCCNC(=O)C(C)NC(C)C 2230a_100138425928_100000230305 [0,2,0,0,0,0|2,0,0]=4 5456 B11R0.68 CCCNC(=O)C(C)NC(C)C 34a_100025744714_100000210206 [0,2,0,0,0,0|2,0,0]=4 5457 B11R0.68 CCCNC(=O)C(C)NC(C)C 34a_100138425928_100000230305 [0,2,0,0,0,0|2,0,0]=4 5458 B11R0.68 CCCNC(=O)C(C)OC(C)C 34a_100000212225_100000230305 [0,2,0,0,0,0|2,0,0]=4 5459 B11R0.68 CCCNC(=O)C(C)SC(C)C 62a_100000210206_100000230305 [0,2,0,0,0,0|2,0,0]=4 5460 B11R0.68 CCCNC(=O)C(C)SC(C)C 62a_100000230305_100000210206 [0,2,0,0,0,0|2,0,0]=4 5461 B11R0.68 CCCNC(=O)N(C)CC(C)C 2708a_100020643023_100000747067 [0,2,0,0,0,0|2,0,0]=4 5462 B11R0.68 CCCNC(=O)N(C)CC(C)C 273464a_100020643023_100000747067 [0,2,0,0,0,0|2,0,0]=4 5463 B11R0.68 CCCNC(=O)N(C)CC(C)O 2708a_100020643023_100000227577 [0,2,0,0,0,0|2,0,0]=4 5464 B11R0.68 CCCNC(=O)[C@@H](O)CC(C)C 1626a_100020643023_100012027011 [0,2,0,0,0,0|0,0,0]=2 5465 B11R0.68 CCCNC(=O)[C@@H](O)CC(C)C 240690a_100020643023_100012027011 [0,2,0,0,0,0|0,0,0]=2 5466 B11R0.68 CCCNC(C)C(=O)NC(C)C 2230a_100015205314_100000210303 [0,2,0,0,0,0|2,0,0]=4 5467 B11R0.68 CCCNC(C)C(=O)NC(C)C 34a_100015205314_100000210303 [0,2,0,0,0,0|2,0,0]=4 5468 B11R0.68 CCCOC(=O)C(C)NC(C)C 2230a_100138425928_100000760410 [0,2,0,0,0,0|2,0,0]=4 5469 B11R0.68 CCCOC(=O)C(C)NC(C)C 34a_100138425928_100000760410 [0,2,0,0,0,0|2,0,0]=4 5470 B11R0.68 CCCOC(=O)C(C)OC(C)C 34a_100000037348_100000210206 [0,2,0,0,0,0|2,0,0]=4 5471 B11R0.68 CCCOC(=O)C(C)OC(C)C 34a_100000212225_100000760410 [0,2,0,0,0,0|2,0,0]=4 5472 B11R0.68 CCCOC(=O)C(C)OC(C)C 7a_100000037348_100000210206 [0,2,0,0,0,0|2,0,0]=4 5473 B11R0.68 CCCOC(=O)C(C)SC(C)C 62a_100000210206_100000760410 [0,2,0,0,0,0|2,0,0]=4 5474 B11R0.68 CCCOC(=O)C(C)SC(C)C 62a_100000760410_100000210206 [0,2,0,0,0,0|2,0,0]=4 5475 B11R0.68 CCCOC(C)C(=O)NC(C)C 34a_100000210258_100000195394 [0,2,0,0,0,0|2,0,0]=4 5476 B11R0.68 CCCO[C@H](C)C(=O)OC(C)C 34a_100015307928_100000210303 [0,2,0,0,0,0|2,0,0]=4 5477 B11R0.68 CCCO[C@H](C)C(=O)OC(C)C 7a_100015307928_100000210303 [0,2,0,0,0,0|2,0,0]=4 5478 B11R0.68 CCCSC(C)C(=O)NC(C)C 62a_100000195394_100000210303 [0,2,0,0,0,0|2,0,0]=4 5479 B11R0.68 CCCSC(C)C(=O)NC(C)C 62a_100000210303_100000195394 [0,2,0,0,0,0|2,0,0]=4 5480 B11R0.68 CCNNC(=O)[C@@H](O)CC(C)C 22a_100000756455_100012027011 [0,2,0,0,0,0|1,0,0]=3 5481 B11R0.68 CCOCC(=O)C(C)CC(C)C 1458a_100000211967_100000731052 [0,2,0,0,0,0|1,0,0]=3 5482 B11R0.68 CCOCC(=O)N(C)CC(C)C 11a_100000747067_100000211967 [0,2,0,0,0,0|2,0,0]=4 5483 B11R0.68 CCOCC(=O)N(C)CC(C)C 1626a_100000747067_100000211967 [0,2,0,0,0,0|2,0,0]=4 5484 B11R0.68 CCOCC(=O)N(C)CC(C)C 240690a_100000747067_100000211967 [0,2,0,0,0,0|2,0,0]=4 5485 B11R0.68 CCOCC(=O)N(C)CC(C)C 527a_100000747067_100000211967 [0,2,0,0,0,0|2,0,0]=4 5486 B11R0.68 CCOCC(=O)N(C)CC(C)O 240690a_100000227577_100000211967 [0,2,0,0,0,0|2,0,0]=4 5487 B11R0.68 CCOCC(=O)N(C)CC(C)O 527a_100000227577_100000211967 [0,2,0,0,0,0|2,0,0]=4 5488 B11R0.68 CCOC[C@H](N)C(=O)OC(C)C 34a_100121572844_100000210202 [0,2,0,0,0,0|2,0,0]=4 5489 B11R0.68 CCSCC(=O)C(C)CC(C)C 1458a_100000230394_100000731052 [0,2,0,0,0,0|1,0,0]=3 5490 B11R0.68 CCSCC(=O)N(C)CC(C)C 11a_100000747067_100000230394 [0,2,0,0,0,0|2,0,0]=4 5491 B11R0.68 CCSCC(=O)N(C)CC(C)C 1626a_100000747067_100000230394 [0,2,0,0,0,0|2,0,0]=4 5492 B11R0.68 CCSCC(=O)N(C)CC(C)C 240690a_100000747067_100000230394 [0,2,0,0,0,0|2,0,0]=4 5493 B11R0.68 CCSCC(=O)N(C)CC(C)C 527a_100000747067_100000230394 [0,2,0,0,0,0|2,0,0]=4 5494 B11R0.68 CCSCC(=O)N(C)CC(C)O 240690a_100000227577_100000230394 [0,2,0,0,0,0|2,0,0]=4 5495 B11R0.68 CCSCC(=O)N(C)CC(C)O 527a_100000227577_100000230394 [0,2,0,0,0,0|2,0,0]=4 5496 B11R0.68 COCCC(=O)C(C)CC(C)C 1458a_100000749529_100000731052 [0,2,0,0,0,0|1,0,0]=3 5497 B11R0.68 COCCC(=O)C(C)CN(C)C 1458a_200015186601_100000233755 [0,2,0,0,0,0|2,0,0]=4 5498 B11R0.68 COCCC(=O)N(C)CC(C)C 11a_100000747067_100000749529 [0,2,0,0,0,0|2,0,0]=4 5499 B11R0.68 COCCC(=O)N(C)CC(C)C 1626a_100000747067_100000749529 [0,2,0,0,0,0|2,0,0]=4 5500 B11R0.68 COCCC(=O)N(C)CC(C)C 240690a_100000747067_100000749529 [0,2,0,0,0,0|2,0,0]=4 5501 B11R0.68 COCCC(=O)N(C)CC(C)C 527a_100000747067_100000749529 [0,2,0,0,0,0|2,0,0]=4 5502 B11R0.68 COCCC(=O)N(C)CC(C)O 240690a_100000227577_100000749529 [0,2,0,0,0,0|2,0,0]=4 5503 B11R0.68 COCCC(=O)N(C)CC(C)O 527a_100000227577_100000749529 [0,2,0,0,0,0|2,0,0]=4 5504 B11R0.68 COCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000233755 [0,2,0,0,0,0|0,0,0]=2 5505 B11R0.68 COCCN(C)C(=O)CC(C)C 11a_100000743101_100000210554 [0,2,0,0,0,0|2,0,0]=4 5506 B11R0.68 COCCN(C)C(=O)CC(C)C 1626a_100000743101_100000210554 [0,2,0,0,0,0|2,0,0]=4 5507 B11R0.68 COCCN(C)C(=O)CC(C)C 240690a_100000743101_100000210554 [0,2,0,0,0,0|2,0,0]=4 5508 B11R0.68 COCCN(C)C(=O)CC(C)C 527a_100000743101_100000210554 [0,2,0,0,0,0|2,0,0]=4 5509 B11R0.68 COCCN(C)C(=O)C[C@@H](C)O 240690a_100000743101_100011933948 [0,2,0,0,0,0|2,0,0]=4 5510 B11R0.68 CSCCC(=O)C(C)CC(C)C 1458a_100000174002_100000731052 [0,2,0,0,0,0|1,0,0]=3 5511 B11R0.68 CSCCC(=O)C(C)CN(C)C 1458a_200015186601_100000751147 [0,2,0,0,0,0|2,0,0]=4 5512 B11R0.68 CSCCC(=O)N(C)CC(C)C 11a_100000747067_100000174002 [0,2,0,0,0,0|2,0,0]=4 5513 B11R0.68 CSCCC(=O)N(C)CC(C)C 1626a_100000747067_100000174002 [0,2,0,0,0,0|2,0,0]=4 5514 B11R0.68 CSCCC(=O)N(C)CC(C)C 240690a_100000747067_100000174002 [0,2,0,0,0,0|2,0,0]=4 5515 B11R0.68 CSCCC(=O)N(C)CC(C)C 527a_100000747067_100000174002 [0,2,0,0,0,0|2,0,0]=4 5516 B11R0.68 CSCCC(=O)N(C)CC(C)O 240690a_100000227577_100000174002 [0,2,0,0,0,0|2,0,0]=4 5517 B11R0.68 CSCCC(=O)N(C)CC(C)O 527a_100000227577_100000174002 [0,2,0,0,0,0|2,0,0]=4 5518 B11R0.68 CSCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000751147 [0,2,0,0,0,0|0,0,0]=2 5519 B11R0.68 CSCCC(O)C(=O)CC(=O)N 1458a_100000685904_100000187820 [0,2,0,0,0,0|1,0,1]=4 5520 B11R0.68 CSCCC(O)C(=O)CC(=O)[O-] 1458a_100000685904_100020667443 [0,2,0,0,0,0|1,0,1]=4 5521 B11R0.68 CSCCC(O)C(=O)CC(C)C 1458a_100000685904_100000210624 [0,2,0,0,0,0|0,0,0]=2 5522 B11R0.68 CSCCC(O)C(=O)CC(C)O 1458a_100000685904_100011218427 [0,2,0,0,0,0|0,0,0]=2 5523 B11R0.68 CSCCC(O)C(=O)CC(F)F 1458a_100000685904_100011934356 [0,2,0,0,0,0|1,0,0]=3 5524 B11R0.68 CSCCC(O)C(=O)C[N+](=O)[O-] 1458a_100000685904_100000761209 [0,2,0,0,0,0|2,0,0]=4 5525 B11R0.68 CSCCC(O)C(=O)NC(C)C 240690a_100138425928_100000685904 [0,2,0,0,0,0|1,0,0]=3 5526 B11R0.68 CSCCN(C)C(=O)CC(C)C 11a_100000686725_100000210554 [0,2,0,0,0,0|2,0,0]=4 5527 B11R0.68 CSCCN(C)C(=O)CC(C)C 1626a_100000686725_100000210554 [0,2,0,0,0,0|2,0,0]=4 5528 B11R0.68 CSCCN(C)C(=O)CC(C)C 240690a_100000686725_100000210554 [0,2,0,0,0,0|2,0,0]=4 5529 B11R0.68 CSCCN(C)C(=O)CC(C)C 527a_100000686725_100000210554 [0,2,0,0,0,0|2,0,0]=4 5530 B11R0.68 CSCCN(C)C(=O)C[C@@H](C)O 240690a_100000686725_100011933948 [0,2,0,0,0,0|2,0,0]=4 5531 B11R0.68 C[C@@H](O)CC(=O)N(C)CCCO 240690a_100000213112_100011933948 [0,2,0,0,0,0|2,0,0]=4 5532 B11R0.69 C#CCCC(=O)C(CC)CCC 1458a_100000692101_100011219200 [0,2,0,0,0,0|1,0,1]=4 5533 B11R0.69 C#CCCC(=O)C(CC)CCC 1458a_100011416436_100000753159 [0,2,0,0,0,0|1,0,1]=4 5534 B11R0.69 C/C=C/CC(=O)C(CC)CCC 1458a_100011416436_100102629194 [0,2,0,0,0,0|1,0,1]=4 5535 B11R0.69 C=CCCC(=O)C(CC)CCC 1458a_100000749702_100011219200 [0,2,0,0,0,0|1,0,1]=4 5536 B11R0.69 C=CCCC(=O)C(CC)CCC 1458a_100011416436_100000754431 [0,2,0,0,0,0|1,0,1]=4 5537 B11R0.69 CC#CCC(=O)C(CC)CCC 1458a_100011416436_100000748600 [0,2,0,0,0,0|1,0,1]=4 5538 B11R0.69 CC=CCC(=O)C(CC)CCC 1458a_100011416436_100000070051 [0,2,0,0,0,0|1,0,1]=4 5539 B11R0.69 CC=CCC(=O)C(CC)CCC 1458a_100121576822_100011219200 [0,2,0,0,0,0|1,0,1]=4 5540 B11R0.69 CCC#CC(=O)C(CC)CCC 1458a_100011827653_100011219200 [0,2,0,0,0,0|1,0,1]=4 5541 B11R0.69 CCC=CC(=O)C(CC)CCC 1458a_100000212282_100011219200 [0,2,0,0,0,0|1,0,1]=4 5542 B11R0.69 CCCC(CC)C(=O)CCC#N 1458a_100011416436_100011215226 [0,2,0,0,0,0|1,0,1]=4 5543 B11R0.69 CCCC(CC)C(=O)CCC#N 1458a_100011934036_100011219200 [0,2,0,0,0,0|1,0,1]=4 5544 B11R0.69 CCCC(CC)C(=O)CCCF 1458a_100011416436_100011934791 [0,2,0,0,0,0|1,0,0]=3 5545 B11R0.69 CCCC(CC)C(=O)CCCO 1458a_100011416436_100011215043 [0,2,0,0,0,0|1,0,0]=3 5546 B11R0.69 CCCC(CC)C(=O)CCOC 1458a_100000749529_100011219200 [0,2,0,0,0,0|1,0,0]=3 5547 B11R0.69 CCCC(CC)C(=O)CCOC 1458a_100011416436_100000233755 [0,2,0,0,0,0|1,0,0]=3 5548 B11R0.69 CCCC(CC)C(=O)CCSC 1458a_100000174002_100011219200 [0,2,0,0,0,0|1,0,0]=3 5549 B11R0.69 CCCC(CC)C(=O)CCSC 1458a_100011416436_100000751147 [0,2,0,0,0,0|1,0,0]=3 5550 B11R0.69 CCCC(CC)C(=O)COCC 1458a_100000211967_100011219200 [0,2,0,0,0,0|1,0,0]=3 5551 B11R0.69 CCCC(CC)C(=O)CSCC 1458a_100000230394_100011219200 [0,2,0,0,0,0|1,0,0]=3 5552 B11R0.69 CCCC(CC)C(=O)NCCF 11a_100000724931_100011416436 [0,2,0,0,0,0|2,0,0]=4 5553 B11R0.69 CCCC(CC)C(=O)NCCF 1626a_100000724931_100011416436 [0,2,0,0,0,0|2,0,0]=4 5554 B11R0.69 CCCC(CC)C(=O)NCCF 240690a_100000724931_100011416436 [0,2,0,0,0,0|2,0,0]=4 5555 B11R0.69 CCCC(CC)C(=O)NCCF 527a_100000724931_100011416436 [0,2,0,0,0,0|2,0,0]=4 5556 B11R0.69 CCCC(CC)C(=O)NCCO 240690a_100000210304_100011416436 [0,2,0,0,0,0|2,0,0]=4 5557 B11R0.69 CCCC(CC)C(=O)NCCO 527a_100000210304_100011416436 [0,2,0,0,0,0|2,0,0]=4 5558 B11R0.69 CCCC(CC)C(=O)NNCC 22a_100000756455_100011416436 [0,2,0,0,0,0|2,0,0]=4 5559 B11R0.69 CCCCC(=O)C(CC)CCC 1458a_100000210183_100011219200 [0,2,0,0,0,0|1,0,0]=3 5560 B11R0.69 CCCCC(=O)C(CC)CCC 1458a_100011416436_100000210211 [0,2,0,0,0,0|1,0,0]=3 5561 B11R0.69 CCCCC(=O)N(CC)CCC 11a_100000226822_100000210183 [0,2,0,0,0,0|2,0,0]=4 5562 B11R0.69 CCCCC(=O)N(CC)CCC 1626a_100000226822_100000210183 [0,2,0,0,0,0|2,0,0]=4 5563 B11R0.69 CCCCC(=O)N(CC)CCC 240690a_100000226822_100000210183 [0,2,0,0,0,0|2,0,0]=4 5564 B11R0.69 CCCCC(=O)N(CC)CCC 527a_100000226822_100000210183 [0,2,0,0,0,0|2,0,0]=4 5565 B11R0.69 CCCN(CC)C(=O)CCOC 11a_100000226822_100000749529 [0,2,0,0,0,0|2,0,0]=4 5566 B11R0.69 CCCN(CC)C(=O)CCOC 1626a_100000226822_100000749529 [0,2,0,0,0,0|2,0,0]=4 5567 B11R0.69 CCCN(CC)C(=O)CCOC 240690a_100000226822_100000749529 [0,2,0,0,0,0|2,0,0]=4 5568 B11R0.69 CCCN(CC)C(=O)CCOC 527a_100000226822_100000749529 [0,2,0,0,0,0|2,0,0]=4 5569 B11R0.69 CCCN(CC)C(=O)CCSC 11a_100000226822_100000174002 [0,2,0,0,0,0|2,0,0]=4 5570 B11R0.69 CCCN(CC)C(=O)CCSC 1626a_100000226822_100000174002 [0,2,0,0,0,0|2,0,0]=4 5571 B11R0.69 CCCN(CC)C(=O)CCSC 240690a_100000226822_100000174002 [0,2,0,0,0,0|2,0,0]=4 5572 B11R0.69 CCCN(CC)C(=O)CCSC 527a_100000226822_100000174002 [0,2,0,0,0,0|2,0,0]=4 5573 B11R0.69 CCCN(CC)C(=O)COCC 11a_100000226822_100000211967 [0,2,0,0,0,0|2,0,0]=4 5574 B11R0.69 CCCN(CC)C(=O)COCC 1626a_100000226822_100000211967 [0,2,0,0,0,0|2,0,0]=4 5575 B11R0.69 CCCN(CC)C(=O)COCC 240690a_100000226822_100000211967 [0,2,0,0,0,0|2,0,0]=4 5576 B11R0.69 CCCN(CC)C(=O)COCC 527a_100000226822_100000211967 [0,2,0,0,0,0|2,0,0]=4 5577 B11R0.69 CCCN(CC)C(=O)CSCC 11a_100000226822_100000230394 [0,2,0,0,0,0|2,0,0]=4 5578 B11R0.69 CCCN(CC)C(=O)CSCC 1626a_100000226822_100000230394 [0,2,0,0,0,0|2,0,0]=4 5579 B11R0.69 CCCN(CC)C(=O)CSCC 240690a_100000226822_100000230394 [0,2,0,0,0,0|2,0,0]=4 5580 B11R0.69 CCCN(CC)C(=O)CSCC 527a_100000226822_100000230394 [0,2,0,0,0,0|2,0,0]=4 5581 B11R0.69 CCCNC(=O)C(CC)CCC 11a_100020643023_100011416436 [0,2,0,0,0,0|1,0,0]=3 5582 B11R0.69 CCCNC(=O)C(CC)CCC 1626a_100020643023_100011416436 [0,2,0,0,0,0|1,0,0]=3 5583 B11R0.69 CCCNC(=O)C(CC)CCC 240690a_100020643023_100011416436 [0,2,0,0,0,0|1,0,0]=3 5584 B11R0.69 CCCNC(=O)C(CC)CCC 527a_100020643023_100011416436 [0,2,0,0,0,0|1,0,0]=3 5585 B11R0.69 CCCNC(=O)C(CC)NCC 2230a_100015525214_200011763335 [0,2,0,0,0,0|2,0,0]=4 5586 B11R0.69 CCCNC(=O)C(CC)SCC 62a_100000210202_200011763335 [0,2,0,0,0,0|2,0,0]=4 5587 B11R0.69 CCCNC(=O)C(CC)SCC 62a_200011763335_100000210202 [0,2,0,0,0,0|2,0,0]=4 5588 B11R0.69 CCCNC(=O)N(CC)CCC 2708a_100020643023_100000226822 [0,2,0,0,0,0|2,0,0]=4 5589 B11R0.69 CCCNC(=O)N(CC)CCC 273464a_100020643023_100000226822 [0,2,0,0,0,0|2,0,0]=4 5590 B11R0.73 C#CC(C)C(=O)C(O)CCCC 1458a_100000720857_200000035995 [0,2,0,0,0,0|0,0,2]=4 5591 B11R0.73 C#CC(C)C(=O)C(O)CCSC 1458a_100000685904_200000035995 [0,2,0,0,0,0|0,0,2]=4 5592 B11R0.73 C#CCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000753159 [0,2,0,0,0,0|1,0,1]=4 5593 B11R0.73 C/C=C/CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100102629194 [0,2,0,0,0,0|1,0,1]=4 5594 B11R0.73 C=CCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000754431 [0,2,0,0,0,0|1,0,1]=4 5595 B11R0.73 CC#CCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000748600 [0,2,0,0,0,0|1,0,1]=4 5596 B11R0.73 CC=CCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000070051 [0,2,0,0,0,0|1,0,1]=4 5597 B11R0.73 CCC(=O)C(C)C(=O)CCOC 1458a_100000749529_100000742827 [0,2,0,0,0,0|1,0,1]=4 5598 B11R0.73 CCC(=O)C(C)C(=O)CCSC 1458a_100000174002_100000742827 [0,2,0,0,0,0|1,0,1]=4 5599 B11R0.73 CCC(C)C(=O)C(O)CCSC 1458a_100000685904_100000758301 [0,2,0,0,0,0|0,0,0]=2 5600 B11R0.73 CCC(C)C(=O)N(C)CCCO 240690a_100000213112_100011192722 [0,2,0,0,0,0|2,0,0]=4 5601 B11R0.73 CCC(C)C(=O)N(C)CCCO 527a_100000213112_100011192722 [0,2,0,0,0,0|2,0,0]=4 5602 B11R0.73 CCC(C)C(=O)N(C)CCOC 11a_100000743101_100011192722 [0,2,0,0,0,0|2,0,0]=4 5603 B11R0.73 CCC(C)C(=O)N(C)CCOC 1626a_100000743101_100011192722 [0,2,0,0,0,0|2,0,0]=4 5604 B11R0.73 CCC(C)C(=O)N(C)CCOC 240690a_100000743101_100011192722 [0,2,0,0,0,0|2,0,0]=4 5605 B11R0.73 CCC(C)C(=O)N(C)CCOC 527a_100000743101_100011192722 [0,2,0,0,0,0|2,0,0]=4 5606 B11R0.73 CCC(C)C(=O)N(C)CCSC 11a_100000686725_100011192722 [0,2,0,0,0,0|2,0,0]=4 5607 B11R0.73 CCC(C)C(=O)N(C)CCSC 1626a_100000686725_100011192722 [0,2,0,0,0,0|2,0,0]=4 5608 B11R0.73 CCC(C)C(=O)N(C)CCSC 240690a_100000686725_100011192722 [0,2,0,0,0,0|2,0,0]=4 5609 B11R0.73 CCC(C)C(=O)N(C)CCSC 527a_100000686725_100011192722 [0,2,0,0,0,0|2,0,0]=4 5610 B11R0.73 CCC(C)N(C)C(=O)CCOC 11a_100000741768_100000749529 [0,2,0,0,0,0|2,0,0]=4 5611 B11R0.73 CCC(C)N(C)C(=O)CCOC 1626a_100000741768_100000749529 [0,2,0,0,0,0|2,0,0]=4 5612 B11R0.73 CCC(C)N(C)C(=O)CCOC 240690a_100000741768_100000749529 [0,2,0,0,0,0|2,0,0]=4 5613 B11R0.73 CCC(C)N(C)C(=O)CCOC 527a_100000741768_100000749529 [0,2,0,0,0,0|2,0,0]=4 5614 B11R0.73 CCC(C)N(C)C(=O)CCSC 11a_100000741768_100000174002 [0,2,0,0,0,0|2,0,0]=4 5615 B11R0.73 CCC(C)N(C)C(=O)CCSC 1626a_100000741768_100000174002 [0,2,0,0,0,0|2,0,0]=4 5616 B11R0.73 CCC(C)N(C)C(=O)CCSC 240690a_100000741768_100000174002 [0,2,0,0,0,0|2,0,0]=4 5617 B11R0.73 CCC(C)N(C)C(=O)CCSC 527a_100000741768_100000174002 [0,2,0,0,0,0|2,0,0]=4 5618 B11R0.73 CCC(O)C(=O)N(C)CCCO 240690a_100000213112_100011196387 [0,2,0,0,0,0|2,0,0]=4 5619 B11R0.73 CCC(O)C(=O)N(C)CCOC 240690a_100000743101_100011196387 [0,2,0,0,0,0|2,0,0]=4 5620 B11R0.73 CCC(O)C(=O)N(C)CCSC 240690a_100000686725_100011196387 [0,2,0,0,0,0|2,0,0]=4 5621 B11R0.73 CCC/C=C(\C)/C(=O)C(C)CC 1458a_200020648666_100000758301 [0,2,0,0,0,0|1,0,1]=4 5622 B11R0.73 CCCCC(=O)C(C)C(=O)CC 1458a_100000210183_100000742827 [0,2,0,0,0,0|1,0,1]=4 5623 B11R0.73 CCCCC(=O)C(C)N(C)CC 1458a_100011281945_100000210211 [0,2,0,0,0,0|2,0,0]=4 5624 B11R0.73 CCCCC(=O)N(C)C(C)CC 11a_100000741768_100000210183 [0,2,0,0,0,0|2,0,0]=4 5625 B11R0.73 CCCCC(=O)N(C)C(C)CC 1626a_100000741768_100000210183 [0,2,0,0,0,0|2,0,0]=4 5626 B11R0.73 CCCCC(=O)N(C)C(C)CC 240690a_100000741768_100000210183 [0,2,0,0,0,0|2,0,0]=4 5627 B11R0.73 CCCCC(=O)N(C)C(C)CC 527a_100000741768_100000210183 [0,2,0,0,0,0|2,0,0]=4 5628 B11R0.73 CCCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210211 [0,2,0,0,0,0|1,0,0]=3 5629 B11R0.73 CCCCC(C)C(=O)C(C)CC 1458a_100000725509_100000758301 [0,2,0,0,0,0|1,0,0]=3 5630 B11R0.73 CCCCC(C)C(=O)C(C)CC 1458a_100011192722_200011215066 [0,2,0,0,0,0|1,0,0]=3 5631 B11R0.73 CCCCC(C)C(=O)C(C)OC 1458a_100000743197_200011215066 [0,2,0,0,0,0|2,0,0]=4 5632 B11R0.73 CCCCC(C)C(=O)C(C)SC 1458a_100000149566_200011215066 [0,2,0,0,0,0|2,0,0]=4 5633 B11R0.73 CCCCC(C)C(=O)C(O)CC 1458a_100011196387_200011215066 [0,2,0,0,0,0|1,0,0]=3 5634 B11R0.73 CCCCC(C)C(=O)C(O)CO 1458a_100011215603_200011215066 [0,2,0,0,0,0|2,0,0]=4 5635 B11R0.73 CCCCC(C)C(=O)N(C)CC 11a_100000225621_100000725509 [0,2,0,0,0,0|2,0,0]=4 5636 B11R0.73 CCCCC(C)C(=O)N(C)CC 1626a_100000225621_100000725509 [0,2,0,0,0,0|2,0,0]=4 5637 B11R0.73 CCCCC(C)C(=O)N(C)CC 240690a_100000225621_100000725509 [0,2,0,0,0,0|2,0,0]=4 5638 B11R0.73 CCCCC(C)C(=O)N(C)CC 527a_100000225621_100000725509 [0,2,0,0,0,0|2,0,0]=4 5639 B11R0.73 CCCCC(O)C(=O)C(C)C#N 1458a_100000720857_100000703298 [0,2,0,0,0,0|1,0,1]=4 5640 B11R0.73 CCCCC(O)C(=O)C(C)CC 1458a_100000720857_100000758301 [0,2,0,0,0,0|0,0,0]=2 5641 B11R0.73 CCCCC(O)C(=O)N(C)CC 240690a_100000225621_100000720857 [0,2,0,0,0,0|1,0,0]=3 5642 B11R0.73 CCCCC(O)C(=O)N(C)CC 527a_100000225621_100000720857 [0,2,0,0,0,0|1,0,0]=3 5643 B11R0.73 CCCCN(C)C(=O)C(C)CC 11a_100000207549_100011192722 [0,2,0,0,0,0|2,0,0]=4 5644 B11R0.73 CCCCN(C)C(=O)C(C)CC 1626a_100000207549_100011192722 [0,2,0,0,0,0|2,0,0]=4 5645 B11R0.73 CCCCN(C)C(=O)C(C)CC 240690a_100000207549_100011192722 [0,2,0,0,0,0|2,0,0]=4 5646 B11R0.73 CCCCN(C)C(=O)C(C)CC 527a_100000207549_100011192722 [0,2,0,0,0,0|2,0,0]=4 5647 B11R0.73 CCCCN(C)C(=O)C(O)CC 240690a_100000207549_100011196387 [0,2,0,0,0,0|2,0,0]=4 5648 B11R0.73 CCCNC(=O)C(=O)C(C)CC 1458a_200011297150_100000758301 [0,2,0,0,0,0|0,0,2]=4 5649 B11R0.73 CCCNC(=O)C(C)C(=O)CC 1458a_100000210414_100000230305 [0,2,0,0,0,0|1,0,1]=4 5650 B11R0.73 CCCNC(=O)C(C)N(C)CC 2230a_100000225621_100000230305 [0,2,0,0,0,0|2,0,0]=4 5651 B11R0.73 CCCNC(=O)C(C)N(C)CC 240690a_100020643023_100011281945 [0,2,0,0,0,0|2,0,0]=4 5652 B11R0.73 CCCNC(=O)C(C)N(C)CC 269982a_100000225621_100000230305 [0,2,0,0,0,0|2,0,0]=4 5653 B11R0.73 CCCNC(=O)C(C)N(C)CC 527a_100020643023_100011281945 [0,2,0,0,0,0|2,0,0]=4 5654 B11R0.73 CCCNC(=O)N(C)C(C)CC 2708a_100020643023_100000741768 [0,2,0,0,0,0|2,0,0]=4 5655 B11R0.73 CCCNC(=O)N(C)C(C)CC 273464a_100020643023_100000741768 [0,2,0,0,0,0|2,0,0]=4 5656 B11R0.73 CCCNC(=O)[C@H](O)[C@H](O)CO 240690a_100020643023_100015448053 [0,2,0,0,0,0|1,0,0]=3 5657 B11R0.73 CCCOC(=O)C(C)C(=O)CC 1458a_100000210414_100000760410 [0,2,0,0,0,0|1,0,1]=4 5658 B11R0.73 CCCOC(=O)C(C)N(C)CC 2230a_100000225621_100000760410 [0,2,0,0,0,0|2,0,0]=4 5659 B11R0.73 CCCOC(=O)C(C)N(C)CC 269982a_100000225621_100000760410 [0,2,0,0,0,0|2,0,0]=4 5660 B11R0.73 CCCOC(C)C(=O)N(C)CC 34a_100000210258_200012002205 [0,2,0,0,0,0|2,0,0]=4 5661 B11R0.73 CCCSC(C)C(=O)N(C)CC 62a_100000210303_200012002205 [0,2,0,0,0,0|2,0,0]=4 5662 B11R0.73 CCCSC(C)C(=O)N(C)CC 62a_200012002205_100000210303 [0,2,0,0,0,0|2,0,0]=4 5663 B11R0.73 CCN(C)C(=O)C(O)CCSC 240690a_100000225621_100000685904 [0,2,0,0,0,0|1,0,0]=3 5664 B11R0.73 CCN(C)C(C)C(=O)CCCF 1458a_100011281945_100011934791 [0,2,0,0,0,0|2,0,0]=4 5665 B11R0.73 CCN(C)C(C)C(=O)CCCO 1458a_100011281945_100011215043 [0,2,0,0,0,0|2,0,0]=4 5666 B11R0.73 CCN(C)C(C)C(=O)CCOC 1458a_100011281945_100000233755 [0,2,0,0,0,0|2,0,0]=4 5667 B11R0.73 CCN(C)C(C)C(=O)CCSC 1458a_100011281945_100000751147 [0,2,0,0,0,0|2,0,0]=4 5668 B11R0.73 CCOCC(=O)C(C)C(=O)CC 1458a_100000211967_100000742827 [0,2,0,0,0,0|1,0,1]=4 5669 B11R0.73 CCOCC(=O)N(C)C(C)CC 11a_100000741768_100000211967 [0,2,0,0,0,0|2,0,0]=4 5670 B11R0.73 CCOCC(=O)N(C)C(C)CC 1626a_100000741768_100000211967 [0,2,0,0,0,0|2,0,0]=4 5671 B11R0.73 CCOCC(=O)N(C)C(C)CC 240690a_100000741768_100000211967 [0,2,0,0,0,0|2,0,0]=4 5672 B11R0.73 CCOCC(=O)N(C)C(C)CC 527a_100000741768_100000211967 [0,2,0,0,0,0|2,0,0]=4 5673 B11R0.73 CCSCC(=O)C(C)C(=O)CC 1458a_100000230394_100000742827 [0,2,0,0,0,0|1,0,1]=4 5674 B11R0.73 CCSCC(=O)N(C)C(C)CC 11a_100000741768_100000230394 [0,2,0,0,0,0|2,0,0]=4 5675 B11R0.73 CCSCC(=O)N(C)C(C)CC 1626a_100000741768_100000230394 [0,2,0,0,0,0|2,0,0]=4 5676 B11R0.73 CCSCC(=O)N(C)C(C)CC 240690a_100000741768_100000230394 [0,2,0,0,0,0|2,0,0]=4 5677 B11R0.73 CCSCC(=O)N(C)C(C)CC 527a_100000741768_100000230394 [0,2,0,0,0,0|2,0,0]=4 5678 B11R0.73 COCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000233755 [0,2,0,0,0,0|1,0,0]=3 5679 B11R0.73 CSCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000751147 [0,2,0,0,0,0|1,0,0]=3 5680 B11R0.73 CSCCC(O)C(=O)C(C)C#N 1458a_100000685904_100000703298 [0,2,0,0,0,0|1,0,1]=4 5681 B11R0.73 N#CCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100011215226 [0,2,0,0,0,0|1,0,1]=4 5682 B11R0.73 O=C(CCCF)[C@H](O)[C@H](O)CO 1458a_100015448053_100011934791 [0,2,0,0,0,0|1,0,0]=3 5683 B11R0.73 O=C(CCCO)[C@H](O)[C@H](O)CO 1458a_100015448053_100011215043 [0,2,0,0,0,0|1,0,0]=3 5684 B11R0.73 O=C(NCCF)[C@H](O)[C@H](O)CO 240690a_100000724931_100015448053 [0,2,0,0,0,0|2,0,0]=4 5685 B11R0.73 O=C(NCCO)[C@H](O)[C@H](O)CO 240690a_100000210304_100015448053 [0,2,0,0,0,0|2,0,0]=4 5686 B11R0.155 C#CCCCC(=O)C(C)CCC 1458a_100000210906_100000731252 [0,2,0,0,0,0|1,0,0]=3 5687 B11R0.155 C#CCCCC(=O)C(C)CCC 1458a_100000690238_100000766640 [0,2,0,0,0,0|1,0,0]=3 5688 B11R0.155 C#CCCCC(=O)C(C)CCO 1458a_100000690238_100009893172 [0,2,0,0,0,0|2,0,0]=4 5689 B11R0.155 C#CCCCC(=O)C(C)COC 1458a_100000690238_100000765312 [0,2,0,0,0,0|2,0,0]=4 5690 B11R0.155 C#CCCCC(=O)C(C)COC 1458a_100000751857_100000731252 [0,2,0,0,0,0|2,0,0]=4 5691 B11R0.155 C#CCCCC(=O)C(C)CSC 1458a_100000753918_100000731252 [0,2,0,0,0,0|2,0,0]=4 5692 B11R0.155 C#CCCCC(=O)C(C)OCC 1458a_100000739345_100000731252 [0,2,0,0,0,0|2,0,0]=4 5693 B11R0.155 C#CCCCC(=O)C(C)SCC 1458a_100000230601_100000731252 [0,2,0,0,0,0|2,0,0]=4 5694 B11R0.155 C#CCCCC(=O)N(C)CCC 11a_100000747261_100000690238 [0,2,0,0,0,0|2,0,0]=4 5695 B11R0.155 C#CCCCC(=O)N(C)CCC 1626a_100000747261_100000690238 [0,2,0,0,0,0|2,0,0]=4 5696 B11R0.155 C#CCCCC(=O)N(C)CCC 240690a_100000747261_100000690238 [0,2,0,0,0,0|2,0,0]=4 5697 B11R0.155 C#CCCCC(=O)N(C)CCC 527a_100000747261_100000690238 [0,2,0,0,0,0|2,0,0]=4 5698 B11R0.155 C#CCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000731252 [0,2,0,0,0,0|0,0,0]=2 5699 B11R0.155 C#CCCNC(=O)C(C)CCC 11a_100000755551_100000210906 [0,2,0,0,0,0|1,0,1]=4 5700 B11R0.155 C#CCCNC(=O)C(C)CCC 1626a_100000755551_100000210906 [0,2,0,0,0,0|1,0,1]=4 5701 B11R0.155 C#CCCNC(=O)C(C)CCC 240690a_100000755551_100000210906 [0,2,0,0,0,0|1,0,1]=4 5702 B11R0.155 C#CCCNC(=O)C(C)CCC 527a_100000755551_100000210906 [0,2,0,0,0,0|1,0,1]=4 5703 B11R0.155 C#CCCNC(=O)[C@@H](O)CCC 240690a_100000755551_100009822183 [0,2,0,0,0,0|0,0,1]=3 5704 B11R0.155 C#CCOCC(=O)C(C)CCC 1458a_100011251226_100000766640 [0,2,0,0,0,0|1,0,1]=4 5705 B11R0.155 C=CCCCC(=O)C(C)CCC 1458a_100000210906_100000757094 [0,2,0,0,0,0|1,0,0]=3 5706 B11R0.155 C=CCCCC(=O)C(C)CCC 1458a_100000766728_100000766640 [0,2,0,0,0,0|1,0,0]=3 5707 B11R0.155 C=CCCCC(=O)C(C)CCO 1458a_100000766728_100009893172 [0,2,0,0,0,0|2,0,0]=4 5708 B11R0.155 C=CCCCC(=O)C(C)COC 1458a_100000751857_100000757094 [0,2,0,0,0,0|2,0,0]=4 5709 B11R0.155 C=CCCCC(=O)C(C)COC 1458a_100000766728_100000765312 [0,2,0,0,0,0|2,0,0]=4 5710 B11R0.155 C=CCCCC(=O)C(C)CSC 1458a_100000753918_100000757094 [0,2,0,0,0,0|2,0,0]=4 5711 B11R0.155 C=CCCCC(=O)C(C)OCC 1458a_100000739345_100000757094 [0,2,0,0,0,0|2,0,0]=4 5712 B11R0.155 C=CCCCC(=O)C(C)SCC 1458a_100000230601_100000757094 [0,2,0,0,0,0|2,0,0]=4 5713 B11R0.155 C=CCCCC(=O)N(C)CCC 11a_100000747261_100000766728 [0,2,0,0,0,0|2,0,0]=4 5714 B11R0.155 C=CCCCC(=O)N(C)CCC 1626a_100000747261_100000766728 [0,2,0,0,0,0|2,0,0]=4 5715 B11R0.155 C=CCCCC(=O)N(C)CCC 240690a_100000747261_100000766728 [0,2,0,0,0,0|2,0,0]=4 5716 B11R0.155 C=CCCCC(=O)N(C)CCC 527a_100000747261_100000766728 [0,2,0,0,0,0|2,0,0]=4 5717 B11R0.155 C=CCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000757094 [0,2,0,0,0,0|0,0,0]=2 5718 B11R0.155 C=CCCNC(=O)C(C)CCC 11a_100015191253_100000210906 [0,2,0,0,0,0|1,0,1]=4 5719 B11R0.155 C=CCCNC(=O)C(C)CCC 1626a_100015191253_100000210906 [0,2,0,0,0,0|1,0,1]=4 5720 B11R0.155 C=CCCNC(=O)C(C)CCC 240690a_100015191253_100000210906 [0,2,0,0,0,0|1,0,1]=4 5721 B11R0.155 C=CCCNC(=O)C(C)CCC 527a_100015191253_100000210906 [0,2,0,0,0,0|1,0,1]=4 5722 B11R0.155 C=CCCNC(=O)[C@@H](O)CCC 240690a_100015191253_100009822183 [0,2,0,0,0,0|0,0,1]=3 5723 B11R0.155 C=CCNNC(=O)[C@@H](O)CCC 22a_100020588587_100009822183 [0,2,0,0,0,0|0,0,2]=4 5724 B11R0.155 C=CCSCC(=O)C(C)CCC 1458a_100000230395_100000766640 [0,2,0,0,0,0|1,0,1]=4 5725 B11R0.155 C=COCCC(=O)C(C)CCC 1458a_100000210906_100000039644 [0,2,0,0,0,0|1,0,1]=4 5726 B11R0.155 C=COCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000039644 [0,2,0,0,0,0|0,0,1]=3 5727 B11R0.155 CC#CCNC(=O)C(C)CCC 11a_100000685387_100000210906 [0,2,0,0,0,0|1,0,1]=4 5728 B11R0.155 CC#CCNC(=O)C(C)CCC 1626a_100000685387_100000210906 [0,2,0,0,0,0|1,0,1]=4 5729 B11R0.155 CC#CCNC(=O)C(C)CCC 527a_100000685387_100000210906 [0,2,0,0,0,0|1,0,1]=4 5730 B11R0.155 CC(CCO)C(=O)CCCC#N 1458a_100000075515_100009893172 [0,2,0,0,0,0|2,0,0]=4 5731 B11R0.155 CC(CCO)C(=O)CCCCO 1458a_100000695505_100009893172 [0,2,0,0,0,0|2,0,0]=4 5732 B11R0.155 CC(CCO)C(=O)COCCO 1458a_100000708028_100009893172 [0,2,0,0,0,0|2,0,0]=4 5733 B11R0.155 CC/C=C/CC(=O)C(C)CCC 1458a_100016274230_100000766640 [0,2,0,0,0,0|1,0,0]=3 5734 B11R0.155 CC/C=C/CC(=O)C(C)CCO 1458a_100016274230_100009893172 [0,2,0,0,0,0|2,0,0]=4 5735 B11R0.155 CC/C=C/CC(=O)C(C)COC 1458a_100016274230_100000765312 [0,2,0,0,0,0|2,0,0]=4 5736 B11R0.155 CC/C=C/CC(=O)N(C)CCC 11a_100000747261_100016274230 [0,2,0,0,0,0|2,0,0]=4 5737 B11R0.155 CC/C=C/CC(=O)N(C)CCC 1626a_100000747261_100016274230 [0,2,0,0,0,0|2,0,0]=4 5738 B11R0.155 CC/C=C/CC(=O)N(C)CCC 240690a_100000747261_100016274230 [0,2,0,0,0,0|2,0,0]=4 5739 B11R0.155 CC/C=C/CC(=O)N(C)CCC 527a_100000747261_100016274230 [0,2,0,0,0,0|2,0,0]=4 5740 B11R0.155 CC/C=C\CC(=O)C(C)CCC 1458a_100000210906_100103147603 [0,2,0,0,0,0|1,0,0]=3 5741 B11R0.155 CC/C=C\CC(=O)C(C)COC 1458a_100000751857_100103147603 [0,2,0,0,0,0|2,0,0]=4 5742 B11R0.155 CC/C=C\CC(=O)C(C)CSC 1458a_100000753918_100103147603 [0,2,0,0,0,0|2,0,0]=4 5743 B11R0.155 CC/C=C\CC(=O)C(C)OCC 1458a_100000739345_100103147603 [0,2,0,0,0,0|2,0,0]=4 5744 B11R0.155 CC/C=C\CC(=O)C(C)SCC 1458a_100000230601_100103147603 [0,2,0,0,0,0|2,0,0]=4 5745 B11R0.155 CC/C=C\CC(=O)[C@@H](O)CCC 1458a_100009822183_100103147603 [0,2,0,0,0,0|0,0,0]=2 5746 B11R0.155 CCC#CCC(=O)C(C)CCC 1458a_100000210906_100009813939 [0,2,0,0,0,0|1,0,0]=3 5747 B11R0.155 CCC#CCC(=O)C(C)COC 1458a_100000751857_100009813939 [0,2,0,0,0,0|2,0,0]=4 5748 B11R0.155 CCC#CCC(=O)C(C)CSC 1458a_100000753918_100009813939 [0,2,0,0,0,0|2,0,0]=4 5749 B11R0.155 CCC#CCC(=O)C(C)OCC 1458a_100000739345_100009813939 [0,2,0,0,0,0|2,0,0]=4 5750 B11R0.155 CCC#CCC(=O)C(C)SCC 1458a_100000230601_100009813939 [0,2,0,0,0,0|2,0,0]=4 5751 B11R0.155 CCC#CCC(=O)[C@@H](O)CCC 1458a_100009822183_100009813939 [0,2,0,0,0,0|0,0,0]=2 5752 B11R0.155 CCCC#CC(=O)C(C)CCC 1458a_200011218047_100000766640 [0,2,0,0,0,0|1,0,0]=3 5753 B11R0.155 CCCC#CC(=O)C(C)CCO 1458a_200011218047_100009893172 [0,2,0,0,0,0|2,0,0]=4 5754 B11R0.155 CCCC#CC(=O)C(C)COC 1458a_200011218047_100000765312 [0,2,0,0,0,0|2,0,0]=4 5755 B11R0.155 CCCC#CC(=O)N(C)CCC 240690a_100000747261_200011218047 [0,2,0,0,0,0|2,0,0]=4 5756 B11R0.155 CCCC(=O)N(C)CCCCO 240690a_100000717598_100000211992 [0,2,0,0,0,0|2,0,0]=4 5757 B11R0.155 CCCC(=O)N(C)CCCOC 11a_100000224831_100000211992 [0,2,0,0,0,0|2,0,0]=4 5758 B11R0.155 CCCC(=O)N(C)CCCOC 1626a_100000224831_100000211992 [0,2,0,0,0,0|2,0,0]=4 5759 B11R0.155 CCCC(=O)N(C)CCCOC 240690a_100000224831_100000211992 [0,2,0,0,0,0|2,0,0]=4 5760 B11R0.155 CCCC(=O)N(C)CCCOC 527a_100000224831_100000211992 [0,2,0,0,0,0|2,0,0]=4 5761 B11R0.155 CCCC(C)C(=O)C=CCOC 1458a_100016285016_100000766640 [0,2,0,0,0,0|1,0,1]=4 5762 B11R0.155 CCCC(C)C(=O)C=COCC 1458a_100016266692_100000766640 [0,2,0,0,0,0|1,0,1]=4 5763 B11R0.155 CCCC(C)C(=O)CC#CCO 1458a_100000210906_200000047223 [0,2,0,0,0,0|1,0,1]=4 5764 B11R0.155 CCCC(C)C(=O)CCCC#N 1458a_100000075515_100000766640 [0,2,0,0,0,0|1,0,0]=3 5765 B11R0.155 CCCC(C)C(=O)CCCC#N 1458a_100000210906_100000211468 [0,2,0,0,0,0|1,0,0]=3 5766 B11R0.155 CCCC(C)C(=O)CCCCF 1458a_100000210906_100000729493 [0,2,0,0,0,0|1,0,0]=3 5767 B11R0.155 CCCC(C)C(=O)CCCCO 1458a_100000210906_100000210776 [0,2,0,0,0,0|1,0,0]=3 5768 B11R0.155 CCCC(C)C(=O)CCCCO 1458a_100000695505_100000766640 [0,2,0,0,0,0|1,0,0]=3 5769 B11R0.155 CCCC(C)C(=O)CCCOC 1458a_100000210906_100000740836 [0,2,0,0,0,0|1,0,0]=3 5770 B11R0.155 CCCC(C)C(=O)CCCOC 1458a_100000741012_100000766640 [0,2,0,0,0,0|1,0,0]=3 5771 B11R0.155 CCCC(C)C(=O)CCCSC 1458a_100000173376_100000766640 [0,2,0,0,0,0|1,0,0]=3 5772 B11R0.155 CCCC(C)C(=O)CCN=[N+]=[N-] 1458a_100000688302_100000766640 [0,2,0,0,0,0|2,0,0]=4 5773 B11R0.155 CCCC(C)C(=O)CCOCC 1458a_100000210906_100011215890 [0,2,0,0,0,0|1,0,0]=3 5774 B11R0.155 CCCC(C)C(=O)CCOCC 1458a_100000749530_100000766640 [0,2,0,0,0,0|1,0,0]=3 5775 B11R0.155 CCCC(C)C(=O)CCSCC 1458a_100000210906_100000757381 [0,2,0,0,0,0|1,0,0]=3 5776 B11R0.155 CCCC(C)C(=O)CCSCC 1458a_100000230768_100000766640 [0,2,0,0,0,0|1,0,0]=3 5777 B11R0.155 CCCC(C)C(=O)COCCO 1458a_100000708028_100000766640 [0,2,0,0,0,0|1,0,0]=3 5778 B11R0.155 CCCC(C)C(=O)CSCC#N 1458a_100000150266_100000766640 [0,2,0,0,0,0|1,0,1]=4 5779 B11R0.155 CCCC(C)C(=O)NCCC#N 11a_100000720768_100000210906 [0,2,0,0,0,0|1,0,1]=4 5780 B11R0.155 CCCC(C)C(=O)NCCC#N 1626a_100000720768_100000210906 [0,2,0,0,0,0|1,0,1]=4 5781 B11R0.155 CCCC(C)C(=O)NCCC#N 240690a_100000720768_100000210906 [0,2,0,0,0,0|1,0,1]=4 5782 B11R0.155 CCCC(C)C(=O)NCCC#N 527a_100000720768_100000210906 [0,2,0,0,0,0|1,0,1]=4 5783 B11R0.155 CCCC(C)C(=O)NCCCF 11a_100015189416_100000210906 [0,2,0,0,0,0|1,0,0]=3 5784 B11R0.155 CCCC(C)C(=O)NCCCF 1626a_100015189416_100000210906 [0,2,0,0,0,0|1,0,0]=3 5785 B11R0.155 CCCC(C)C(=O)NCCCF 240690a_100015189416_100000210906 [0,2,0,0,0,0|1,0,0]=3 5786 B11R0.155 CCCC(C)C(=O)NCCCF 527a_100015189416_100000210906 [0,2,0,0,0,0|1,0,0]=3 5787 B11R0.155 CCCC(C)C(=O)NCCCO 240690a_100000182051_100000210906 [0,2,0,0,0,0|1,0,0]=3 5788 B11R0.155 CCCC(C)C(=O)NCCCO 527a_100000182051_100000210906 [0,2,0,0,0,0|1,0,0]=3 5789 B11R0.155 CCCC(C)C(=O)NCCOC 1626a_100000209980_100000210906 [0,2,0,0,0,0|1,0,0]=3 5790 B11R0.155 CCCC(C)C(=O)NCCOC 240690a_100000209980_100000210906 [0,2,0,0,0,0|1,0,0]=3 5791 B11R0.155 CCCC(C)C(=O)NCCOC 527a_100000209980_100000210906 [0,2,0,0,0,0|1,0,0]=3 5792 B11R0.155 CCCC(C)C(=O)NCCSC 11a_100020590264_100000210906 [0,2,0,0,0,0|1,0,0]=3 5793 B11R0.155 CCCC(C)C(=O)NCCSC 1626a_100020590264_100000210906 [0,2,0,0,0,0|1,0,0]=3 5794 B11R0.155 CCCC(C)C(=O)NCCSC 240690a_100020590264_100000210906 [0,2,0,0,0,0|1,0,0]=3 5795 B11R0.155 CCCC(C)C(=O)NCCSC 527a_100020590264_100000210906 [0,2,0,0,0,0|1,0,0]=3 5796 B11R0.155 CCCC(C)C(=O)NNCCO 22a_100000210001_100000210906 [0,2,0,0,0,0|2,0,0]=4 5797 B11R0.155 CCCC=CC(=O)C(C)CCC 1458a_100000212230_100000766640 [0,2,0,0,0,0|1,0,0]=3 5798 B11R0.155 CCCC=CC(=O)C(C)CCO 1458a_100000212230_100009893172 [0,2,0,0,0,0|2,0,0]=4 5799 B11R0.155 CCCC=CC(=O)C(C)COC 1458a_100000212230_100000765312 [0,2,0,0,0,0|2,0,0]=4 5800 B11R0.155 CCCC=CC(=O)N(C)CCC 11a_100000747261_100000212230 [0,2,0,0,0,0|2,0,0]=4 5801 B11R0.155 CCCC=CC(=O)N(C)CCC 1626a_100000747261_100000212230 [0,2,0,0,0,0|2,0,0]=4 5802 B11R0.155 CCCC=CC(=O)N(C)CCC 240690a_100000747261_100000212230 [0,2,0,0,0,0|2,0,0]=4 5803 B11R0.155 CCCCCC(=O)C(C)CCC 1458a_100000210906_100000210326 [0,2,0,0,0,0|1,0,0]=3 5804 B11R0.155 CCCCCC(=O)C(C)CCC 1458a_100000212188_100000766640 [0,2,0,0,0,0|1,0,0]=3 5805 B11R0.155 CCCCCC(=O)C(C)CCO 1458a_100000212188_100009893172 [0,2,0,0,0,0|2,0,0]=4 5806 B11R0.155 CCCCCC(=O)C(C)COC 1458a_100000212188_100000765312 [0,2,0,0,0,0|2,0,0]=4 5807 B11R0.155 CCCCCC(=O)C(C)COC 1458a_100000751857_100000210326 [0,2,0,0,0,0|2,0,0]=4 5808 B11R0.155 CCCCCC(=O)C(C)CSC 1458a_100000753918_100000210326 [0,2,0,0,0,0|2,0,0]=4 5809 B11R0.155 CCCCCC(=O)C(C)OCC 1458a_100000739345_100000210326 [0,2,0,0,0,0|2,0,0]=4 5810 B11R0.155 CCCCCC(=O)C(C)SCC 1458a_100000230601_100000210326 [0,2,0,0,0,0|2,0,0]=4 5811 B11R0.155 CCCCCC(=O)N(C)CCC 11a_100000747261_100000212188 [0,2,0,0,0,0|2,0,0]=4 5812 B11R0.155 CCCCCC(=O)N(C)CCC 1626a_100000747261_100000212188 [0,2,0,0,0,0|2,0,0]=4 5813 B11R0.155 CCCCCC(=O)N(C)CCC 240690a_100000747261_100000212188 [0,2,0,0,0,0|2,0,0]=4 5814 B11R0.155 CCCCCC(=O)N(C)CCC 527a_100000747261_100000212188 [0,2,0,0,0,0|2,0,0]=4 5815 B11R0.155 CCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210326 [0,2,0,0,0,0|0,0,0]=2 5816 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100000211992_200011218191 [0,2,0,0,0,0|1,0,0]=3 5817 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100011215998_100000210303 [0,2,0,0,0,0|1,0,0]=3 5818 B11R0.155 CCCCCC(C)C(=O)CCF 1458a_100011215998_100011217306 [0,2,0,0,0,0|2,0,0]=4 5819 B11R0.155 CCCCCC(C)C(=O)CCO 1458a_100011215998_100000211926 [0,2,0,0,0,0|2,0,0]=4 5820 B11R0.155 CCCCCC(C)C(=O)CCO 1458a_100011216618_200011218191 [0,2,0,0,0,0|2,0,0]=4 5821 B11R0.155 CCCCCC(C)C(=O)COC 1458a_100000210968_200011218191 [0,2,0,0,0,0|2,0,0]=4 5822 B11R0.155 CCCCCC(C)C(=O)CSC 1458a_100000184570_200011218191 [0,2,0,0,0,0|2,0,0]=4 5823 B11R0.155 CCCCCC(C)C(=O)NCC 11a_100015525214_100011215998 [0,2,0,0,0,0|2,0,0]=4 5824 B11R0.155 CCCCCC(C)C(=O)NCC 240690a_100015525214_100011215998 [0,2,0,0,0,0|2,0,0]=4 5825 B11R0.155 CCCCCC(C)C(=O)NCC 527a_100015525214_100011215998 [0,2,0,0,0,0|2,0,0]=4 5826 B11R0.155 CCCCCN(C)C(=O)CCC 11a_100000223495_100000211992 [0,2,0,0,0,0|2,0,0]=4 5827 B11R0.155 CCCCCN(C)C(=O)CCC 1626a_100000223495_100000211992 [0,2,0,0,0,0|2,0,0]=4 5828 B11R0.155 CCCCCN(C)C(=O)CCC 240690a_100000223495_100000211992 [0,2,0,0,0,0|2,0,0]=4 5829 B11R0.155 CCCCCN(C)C(=O)CCC 527a_100000223495_100000211992 [0,2,0,0,0,0|2,0,0]=4 5830 B11R0.155 CCCCNC(=O)C(C)CCC 11a_100000102301_100000210906 [0,2,0,0,0,0|1,0,0]=3 5831 B11R0.155 CCCCNC(=O)C(C)CCC 1626a_100000102301_100000210906 [0,2,0,0,0,0|1,0,0]=3 5832 B11R0.155 CCCCNC(=O)C(C)CCC 240690a_100000102301_100000210906 [0,2,0,0,0,0|1,0,0]=3 5833 B11R0.155 CCCCNC(=O)C(C)CCC 527a_100000102301_100000210906 [0,2,0,0,0,0|1,0,0]=3 5834 B11R0.155 CCCCNC(=O)C(C)COC 11a_100000102301_100000751857 [0,2,0,0,0,0|2,0,0]=4 5835 B11R0.155 CCCCNC(=O)C(C)COC 1626a_100000102301_100000751857 [0,2,0,0,0,0|2,0,0]=4 5836 B11R0.155 CCCCNC(=O)C(C)COC 240690a_100000102301_100000751857 [0,2,0,0,0,0|2,0,0]=4 5837 B11R0.155 CCCCNC(=O)C(C)COC 527a_100000102301_100000751857 [0,2,0,0,0,0|2,0,0]=4 5838 B11R0.155 CCCCNC(=O)C(C)CSC 11a_100000102301_100000753918 [0,2,0,0,0,0|2,0,0]=4 5839 B11R0.155 CCCCNC(=O)C(C)CSC 1626a_100000102301_100000753918 [0,2,0,0,0,0|2,0,0]=4 5840 B11R0.155 CCCCNC(=O)C(C)CSC 240690a_100000102301_100000753918 [0,2,0,0,0,0|2,0,0]=4 5841 B11R0.155 CCCCNC(=O)C(C)CSC 527a_100000102301_100000753918 [0,2,0,0,0,0|2,0,0]=4 5842 B11R0.155 CCCCNC(=O)C(C)NCC 2230a_100015525214_100000735917 [0,2,0,0,0,0|2,0,0]=4 5843 B11R0.155 CCCCNC(=O)C(C)OCC 11a_100000102301_100000739345 [0,2,0,0,0,0|2,0,0]=4 5844 B11R0.155 CCCCNC(=O)C(C)OCC 1626a_100000102301_100000739345 [0,2,0,0,0,0|2,0,0]=4 5845 B11R0.155 CCCCNC(=O)C(C)OCC 240690a_100000102301_100000739345 [0,2,0,0,0,0|2,0,0]=4 5846 B11R0.155 CCCCNC(=O)C(C)OCC 34a_100121572206_100000735917 [0,2,0,0,0,0|2,0,0]=4 5847 B11R0.155 CCCCNC(=O)C(C)OCC 527a_100000102301_100000739345 [0,2,0,0,0,0|2,0,0]=4 5848 B11R0.155 CCCCNC(=O)C(C)SCC 11a_100000102301_100000230601 [0,2,0,0,0,0|2,0,0]=4 5849 B11R0.155 CCCCNC(=O)C(C)SCC 1626a_100000102301_100000230601 [0,2,0,0,0,0|2,0,0]=4 5850 B11R0.155 CCCCNC(=O)C(C)SCC 240690a_100000102301_100000230601 [0,2,0,0,0,0|2,0,0]=4 5851 B11R0.155 CCCCNC(=O)C(C)SCC 527a_100000102301_100000230601 [0,2,0,0,0,0|2,0,0]=4 5852 B11R0.155 CCCCNC(=O)C(C)SCC 62a_100000210202_100000735917 [0,2,0,0,0,0|2,0,0]=4 5853 B11R0.155 CCCCNC(=O)C(C)SCC 62a_100000735917_100000210202 [0,2,0,0,0,0|2,0,0]=4 5854 B11R0.155 CCCCNC(=O)N(C)CCC 2708a_100000102301_100000747261 [0,2,0,0,0,0|2,0,0]=4 5855 B11R0.155 CCCCNC(=O)N(C)CCC 273464a_100000102301_100000747261 [0,2,0,0,0,0|2,0,0]=4 5856 B11R0.155 CCCCNC(=O)[C@@H](O)CCC 240690a_100000102301_100009822183 [0,2,0,0,0,0|0,0,0]=2 5857 B11R0.155 CCCCNC(C)C(=O)NCC 2230a_100000102301_100000230173 [0,2,0,0,0,0|2,0,0]=4 5858 B11R0.155 CCCCNC(C)C(=O)NCC 2230a_100000736553_100000210211 [0,2,0,0,0,0|2,0,0]=4 5859 B11R0.155 CCCCNC(C)C(=O)NCC 34a_100000736553_100000210210 [0,2,0,0,0,0|2,0,0]=4 5860 B11R0.155 CCCCNC(C)C(=O)NCC 7a_106832991798_100000230173 [0,2,0,0,0,0|2,0,0]=4 5861 B11R0.155 CCCCNC(C)C(=O)OCC 2230a_100000102301_100011215307 [0,2,0,0,0,0|2,0,0]=4 5862 B11R0.155 CCCCNC(C)C(=O)OCC 7a_106832991798_100011216346 [0,2,0,0,0,0|2,0,0]=4 5863 B11R0.155 CCCCNC(F)C(=O)OCC 2230a_100000102301_100000760018 [0,2,0,0,0,0|2,0,0]=4 5864 B11R0.155 CCCCNC(F)C(=O)OCC 7a_106832991798_100000040065 [0,2,0,0,0,0|2,0,0]=4 5865 B11R0.155 CCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210211 [0,2,0,0,0,0|2,0,0]=4 5866 B11R0.155 CCCCOC(=O)C(C)NCC 2230a_100015525214_100000759602 [0,2,0,0,0,0|2,0,0]=4 5867 B11R0.155 CCCCOC(=O)C(C)OCC 34a_100000038973_100000210202 [0,2,0,0,0,0|2,0,0]=4 5868 B11R0.155 CCCCOC(=O)C(C)OCC 34a_100121572206_100000759602 [0,2,0,0,0,0|2,0,0]=4 5869 B11R0.155 CCCCOC(=O)C(C)OCC 7a_100000038973_100000210202 [0,2,0,0,0,0|2,0,0]=4 5870 B11R0.155 CCCCOC(=O)C(C)SCC 62a_100000210202_100000759602 [0,2,0,0,0,0|2,0,0]=4 5871 B11R0.155 CCCCOC(=O)C(C)SCC 62a_100000759602_100000210202 [0,2,0,0,0,0|2,0,0]=4 5872 B11R0.155 CCCCOC(C)C(=O)NCC 34a_100000210227_100000230173 [0,2,0,0,0,0|2,0,0]=4 5873 B11R0.155 CCCCOC(C)C(=O)NCC 7a_100000210227_100000230173 [0,2,0,0,0,0|2,0,0]=4 5874 B11R0.155 CCCCOC(C)C(=O)OCC 34a_100000210227_100011216346 [0,2,0,0,0,0|2,0,0]=4 5875 B11R0.155 CCCCOC(C)C(=O)OCC 7a_100000210227_100011216346 [0,2,0,0,0,0|2,0,0]=4 5876 B11R0.155 CCCCOC(F)C(=O)OCC 34a_100000210227_100000760018 [0,2,0,0,0,0|2,0,0]=4 5877 B11R0.155 CCCCOC(F)C(=O)OCC 7a_100000210227_100000040065 [0,2,0,0,0,0|2,0,0]=4 5878 B11R0.155 CCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210211 [0,2,0,0,0,0|2,0,0]=4 5879 B11R0.155 CCCCSC(C)C(=O)CCC 1458a_100000191163_100000210303 [0,2,0,0,0,0|1,0,0]=3 5880 B11R0.155 CCCCSC(C)C(=O)CCF 1458a_100000191163_100011217306 [0,2,0,0,0,0|2,0,0]=4 5881 B11R0.155 CCCCSC(C)C(=O)CCO 1458a_100000191163_100000211926 [0,2,0,0,0,0|2,0,0]=4 5882 B11R0.155 CCCCSC(C)C(=O)NCC 11a_100015525214_100000191163 [0,2,0,0,0,0|2,0,0]=4 5883 B11R0.155 CCCCSC(C)C(=O)NCC 240690a_100015525214_100000191163 [0,2,0,0,0,0|2,0,0]=4 5884 B11R0.155 CCCCSC(C)C(=O)NCC 527a_100015525214_100000191163 [0,2,0,0,0,0|2,0,0]=4 5885 B11R0.155 CCCCSC(C)C(=O)NCC 62a_100000210211_100000230173 [0,2,0,0,0,0|2,0,0]=4 5886 B11R0.155 CCCCSC(C)C(=O)NCC 62a_100000230173_100000210210 [0,2,0,0,0,0|2,0,0]=4 5887 B11R0.155 CCCCSC(C)C(=O)OCC 62a_100000210211_100011216346 [0,2,0,0,0,0|2,0,0]=4 5888 B11R0.155 CCCCSC(C)C(=O)OCC 62a_100011216346_100000210210 [0,2,0,0,0,0|2,0,0]=4 5889 B11R0.155 CCCCSC(F)C(=O)OCC 62a_100000210211_100000760018 [0,2,0,0,0,0|2,0,0]=4 5890 B11R0.155 CCCCSC(F)C(=O)OCC 62a_100000760018_100000210210 [0,2,0,0,0,0|2,0,0]=4 5891 B11R0.155 CCCN(C)C(=O)CCCC#N 11a_100000747261_100000075515 [0,2,0,0,0,0|2,0,0]=4 5892 B11R0.155 CCCN(C)C(=O)CCCC#N 1626a_100000747261_100000075515 [0,2,0,0,0,0|2,0,0]=4 5893 B11R0.155 CCCN(C)C(=O)CCCC#N 240690a_100000747261_100000075515 [0,2,0,0,0,0|2,0,0]=4 5894 B11R0.155 CCCN(C)C(=O)CCCC#N 527a_100000747261_100000075515 [0,2,0,0,0,0|2,0,0]=4 5895 B11R0.155 CCCN(C)C(=O)CCCCO 1626a_100000747261_100000695505 [0,2,0,0,0,0|2,0,0]=4 5896 B11R0.155 CCCN(C)C(=O)CCCOC 11a_100000747261_100000741012 [0,2,0,0,0,0|2,0,0]=4 5897 B11R0.155 CCCN(C)C(=O)CCCOC 1626a_100000747261_100000741012 [0,2,0,0,0,0|2,0,0]=4 5898 B11R0.155 CCCN(C)C(=O)CCCOC 240690a_100000747261_100000741012 [0,2,0,0,0,0|2,0,0]=4 5899 B11R0.155 CCCN(C)C(=O)CCCOC 527a_100000747261_100000741012 [0,2,0,0,0,0|2,0,0]=4 5900 B11R0.155 CCCN(C)C(=O)CCCSC 11a_100000747261_100000173376 [0,2,0,0,0,0|2,0,0]=4 5901 B11R0.155 CCCN(C)C(=O)CCCSC 1626a_100000747261_100000173376 [0,2,0,0,0,0|2,0,0]=4 5902 B11R0.155 CCCN(C)C(=O)CCCSC 240690a_100000747261_100000173376 [0,2,0,0,0,0|2,0,0]=4 5903 B11R0.155 CCCN(C)C(=O)CCCSC 527a_100000747261_100000173376 [0,2,0,0,0,0|2,0,0]=4 5904 B11R0.155 CCCN(C)C(=O)CCOCC 11a_100000747261_100000749530 [0,2,0,0,0,0|2,0,0]=4 5905 B11R0.155 CCCN(C)C(=O)CCOCC 1626a_100000747261_100000749530 [0,2,0,0,0,0|2,0,0]=4 5906 B11R0.155 CCCN(C)C(=O)CCOCC 240690a_100000747261_100000749530 [0,2,0,0,0,0|2,0,0]=4 5907 B11R0.155 CCCN(C)C(=O)CCOCC 527a_100000747261_100000749530 [0,2,0,0,0,0|2,0,0]=4 5908 B11R0.155 CCCN(C)C(=O)CCSCC 11a_100000747261_100000230768 [0,2,0,0,0,0|2,0,0]=4 5909 B11R0.155 CCCN(C)C(=O)CCSCC 1626a_100000747261_100000230768 [0,2,0,0,0,0|2,0,0]=4 5910 B11R0.155 CCCN(C)C(=O)CCSCC 240690a_100000747261_100000230768 [0,2,0,0,0,0|2,0,0]=4 5911 B11R0.155 CCCN(C)C(=O)CCSCC 527a_100000747261_100000230768 [0,2,0,0,0,0|2,0,0]=4 5912 B11R0.155 CCCN(C)C(=O)COCCO 1626a_100000747261_100000708028 [0,2,0,0,0,0|2,0,0]=4 5913 B11R0.155 CCCN(C)C(=O)COCCO 240690a_100000747261_100000708028 [0,2,0,0,0,0|2,0,0]=4 5914 B11R0.155 CCCN(C)C(=O)NCCCF 2708a_100015189416_100000747261 [0,2,0,0,0,0|2,0,0]=4 5915 B11R0.155 CCCN(C)C(=O)NCCCF 273464a_100015189416_100000747261 [0,2,0,0,0,0|2,0,0]=4 5916 B11R0.155 CCCN(C)C(=O)NCCCO 273464a_100000182051_100000747261 [0,2,0,0,0,0|2,0,0]=4 5917 B11R0.155 CCCN(C)C(=O)NCCOC 273464a_100000209980_100000747261 [0,2,0,0,0,0|2,0,0]=4 5918 B11R0.155 CCCN(C)C(=O)NCCSC 2708a_100020590264_100000747261 [0,2,0,0,0,0|2,0,0]=4 5919 B11R0.155 CCCN(C)C(=O)NCCSC 273464a_100020590264_100000747261 [0,2,0,0,0,0|2,0,0]=4 5920 B11R0.155 CCCNN=C(C)C(C)CCC 4a_100000740057_100011216282 [0,2,0,0,0,0|2,0,0]=4 5921 B11R0.155 CCCNNC(=O)C(C)CCC 22a_100000740057_100000210906 [0,2,0,0,0,0|1,0,0]=3 5922 B11R0.155 CCCNNC(=O)C(C)COC 22a_100000740057_100000751857 [0,2,0,0,0,0|2,0,0]=4 5923 B11R0.155 CCCNNC(=O)C(C)CSC 22a_100000740057_100000753918 [0,2,0,0,0,0|2,0,0]=4 5924 B11R0.155 CCCNNC(=O)C(C)OCC 22a_100000740057_100000739345 [0,2,0,0,0,0|2,0,0]=4 5925 B11R0.155 CCCNNC(=O)C(C)SCC 22a_100000740057_100000230601 [0,2,0,0,0,0|2,0,0]=4 5926 B11R0.155 CCCNNC(=O)[C@@H](O)CCC 22a_100000740057_100009822183 [0,2,0,0,0,0|0,0,0]=2 5927 B11R0.155 CCCOCC(=O)C(C)CCC 1458a_100000745993_100000766640 [0,2,0,0,0,0|1,0,0]=3 5928 B11R0.155 CCCOCC(=O)C(C)CCO 1458a_100000745993_100009893172 [0,2,0,0,0,0|2,0,0]=4 5929 B11R0.155 CCCOCC(=O)C(C)COC 1458a_100000745993_100000765312 [0,2,0,0,0,0|2,0,0]=4 5930 B11R0.155 CCCOCC(=O)N(C)CCC 11a_100000747261_100000745993 [0,2,0,0,0,0|2,0,0]=4 5931 B11R0.155 CCCOCC(=O)N(C)CCC 1626a_100000747261_100000745993 [0,2,0,0,0,0|2,0,0]=4 5932 B11R0.155 CCCOCC(=O)N(C)CCC 240690a_100000747261_100000745993 [0,2,0,0,0,0|2,0,0]=4 5933 B11R0.155 CCCOCC(=O)N(C)CCC 527a_100000747261_100000745993 [0,2,0,0,0,0|2,0,0]=4 5934 B11R0.155 CCCSCC(=O)C(C)CCC 1458a_100000217233_100000766640 [0,2,0,0,0,0|1,0,0]=3 5935 B11R0.155 CCCSCC(=O)C(C)CCO 1458a_100000217233_100009893172 [0,2,0,0,0,0|2,0,0]=4 5936 B11R0.155 CCCSCC(=O)C(C)COC 1458a_100000217233_100000765312 [0,2,0,0,0,0|2,0,0]=4 5937 B11R0.155 CCCSCC(=O)N(C)CCC 11a_100000747261_100000217233 [0,2,0,0,0,0|2,0,0]=4 5938 B11R0.155 CCCSCC(=O)N(C)CCC 1626a_100000747261_100000217233 [0,2,0,0,0,0|2,0,0]=4 5939 B11R0.155 CCCSCC(=O)N(C)CCC 240690a_100000747261_100000217233 [0,2,0,0,0,0|2,0,0]=4 5940 B11R0.155 CCCSCC(=O)N(C)CCC 527a_100000747261_100000217233 [0,2,0,0,0,0|2,0,0]=4 5941 B11R0.155 CCC[C@H](O)C(=O)CC#CCO 1458a_100009822183_200000047223 [0,2,0,0,0,0|0,0,1]=3 5942 B11R0.155 CCC[C@H](O)C(=O)CCCC#N 1458a_100009822183_100000211468 [0,2,0,0,0,0|0,0,0]=2 5943 B11R0.155 CCC[C@H](O)C(=O)CCCCF 1458a_100009822183_100000729493 [0,2,0,0,0,0|0,0,0]=2 5944 B11R0.155 CCC[C@H](O)C(=O)CCCCO 1458a_100009822183_100000210776 [0,2,0,0,0,0|0,0,0]=2 5945 B11R0.155 CCC[C@H](O)C(=O)CCCOC 1458a_100009822183_100000740836 [0,2,0,0,0,0|0,0,0]=2 5946 B11R0.155 CCC[C@H](O)C(=O)CCOCC 1458a_100009822183_100011215890 [0,2,0,0,0,0|0,0,0]=2 5947 B11R0.155 CCC[C@H](O)C(=O)CCSCC 1458a_100009822183_100000757381 [0,2,0,0,0,0|0,0,0]=2 5948 B11R0.155 CCC[C@H](O)C(=O)NCCC#N 240690a_100000720768_100009822183 [0,2,0,0,0,0|0,0,1]=3 5949 B11R0.155 CCC[C@H](O)C(=O)NCCCF 240690a_100015189416_100009822183 [0,2,0,0,0,0|0,0,0]=2 5950 B11R0.155 CCC[C@H](O)C(=O)NCCCO 240690a_100000182051_100009822183 [0,2,0,0,0,0|0,0,0]=2 5951 B11R0.155 CCC[C@H](O)C(=O)NCCOC 240690a_100000209980_100009822183 [0,2,0,0,0,0|0,0,0]=2 5952 B11R0.155 CCC[C@H](O)C(=O)NCCSC 240690a_100020590264_100009822183 [0,2,0,0,0,0|0,0,0]=2 5953 B11R0.155 CCC[C@H](O)C(=O)NNCCO 22a_100000210001_100009822183 [0,2,0,0,0,0|1,0,0]=3 5954 B11R0.155 CCNC(=O)C(C)NCCCF 2230a_100000736553_100011934791 [0,2,0,0,0,0|2,0,0]=4 5955 B11R0.155 CCNC(=O)C(C)NCCCF 2230a_100015189416_100000230173 [0,2,0,0,0,0|2,0,0]=4 5956 B11R0.155 CCNC(=O)C(C)NCCCF 34a_100000736553_100011934791 [0,2,0,0,0,0|2,0,0]=4 5957 B11R0.155 CCNC(=O)C(C)NCCCF 34a_100015189416_100000230173 [0,2,0,0,0,0|2,0,0]=4 5958 B11R0.155 CCNC(=O)C(C)NCCCO 2230a_100000736553_100000230001 [0,2,0,0,0,0|2,0,0]=4 5959 B11R0.155 CCNC(=O)C(C)NCCCO 34a_100000736553_100000230001 [0,2,0,0,0,0|2,0,0]=4 5960 B11R0.155 CCNC(=O)C(C)NCCOC 2230a_100000209980_100000230173 [0,2,0,0,0,0|2,0,0]=4 5961 B11R0.155 CCNC(=O)C(C)NCCOC 2230a_100000736553_100011201679 [0,2,0,0,0,0|2,0,0]=4 5962 B11R0.155 CCNC(=O)C(C)NCCOC 34a_100000736553_100011201679 [0,2,0,0,0,0|2,0,0]=4 5963 B11R0.155 CCNC(=O)C(C)NCCSC 2230a_100000736553_100000751147 [0,2,0,0,0,0|2,0,0]=4 5964 B11R0.155 CCNC(=O)C(C)NCCSC 2230a_100020590264_100000230173 [0,2,0,0,0,0|2,0,0]=4 5965 B11R0.155 CCNC(=O)C(C)NCCSC 34a_100000736553_100000212216 [0,2,0,0,0,0|2,0,0]=4 5966 B11R0.155 CCNC(=O)C(C)OCCCBr 34a_100011217188_100000230173 [0,2,0,0,0,0|2,0,0]=4 5967 B11R0.155 CCNC(=O)C(C)OCCCCl 34a_100000230001_100000230173 [0,2,0,0,0,0|2,0,0]=4 5968 B11R0.155 CCNC(=O)C(C)OCCCF 34a_100000759539_100000230173 [0,2,0,0,0,0|2,0,0]=4 5969 B11R0.155 CCNC(=O)C(C)OCCCN 34a_100000182051_100000230173 [0,2,0,0,0,0|2,0,0]=4 5970 B11R0.155 CCNC(=O)C(C)OCCOC 34a_100000210237_100000230173 [0,2,0,0,0,0|2,0,0]=4 5971 B11R0.155 CCNC(=O)C(C)OCCSC 34a_100000230434_100000230173 [0,2,0,0,0,0|2,0,0]=4 5972 B11R0.155 CCNC(=O)C(C)OCCSC 7a_100000230434_100000230173 [0,2,0,0,0,0|2,0,0]=4 5973 B11R0.155 CCNC(=O)C(C)SCCCF 62a_100000230173_100011934791 [0,2,0,0,0,0|2,0,0]=4 5974 B11R0.155 CCNC(=O)C(C)SCCCF 62a_100011934791_100000230173 [0,2,0,0,0,0|2,0,0]=4 5975 B11R0.155 CCNC(=O)C(C)SCCCO 62a_100000230173_100011215043 [0,2,0,0,0,0|2,0,0]=4 5976 B11R0.155 CCNC(=O)C(C)SCCCO 62a_100011215043_100000230173 [0,2,0,0,0,0|2,0,0]=4 5977 B11R0.155 CCNC(=O)C(C)SCCOC 62a_100000230173_100000233755 [0,2,0,0,0,0|2,0,0]=4 5978 B11R0.155 CCNC(=O)C(C)SCCOC 62a_100000233755_100000230173 [0,2,0,0,0,0|2,0,0]=4 5979 B11R0.155 CCNC(=O)C(C)SCCSC 62a_100000212216_100000230173 [0,2,0,0,0,0|2,0,0]=4 5980 B11R0.155 CCNC(=O)C(C)SCCSC 62a_100000230173_100000751147 [0,2,0,0,0,0|2,0,0]=4 5981 B11R0.155 CCNC(=O)C(C)SCOCC 62a_100000230173_100000739092 [0,2,0,0,0,0|2,0,0]=4 5982 B11R0.155 CCNC(=O)C(C)SCOCC 62a_100000739092_100000230173 [0,2,0,0,0,0|2,0,0]=4 5983 B11R0.155 CCNC(C)C(=O)NCCOC 2230a_100015525214_100000230274 [0,2,0,0,0,0|2,0,0]=4 5984 B11R0.155 CCOC(=O)C(C)NCCCF 2230a_100015189416_100011215307 [0,2,0,0,0,0|2,0,0]=4 5985 B11R0.155 CCOC(=O)C(C)NCCCF 34a_100015189416_100011216346 [0,2,0,0,0,0|2,0,0]=4 5986 B11R0.155 CCOC(=O)C(C)NCCOC 2230a_100000209980_100011215307 [0,2,0,0,0,0|2,0,0]=4 5987 B11R0.155 CCOC(=O)C(C)NCCSC 2230a_100020590264_100011215307 [0,2,0,0,0,0|2,0,0]=4 5988 B11R0.155 CCOC(=O)C(C)OCCCBr 34a_100011217188_100011216346 [0,2,0,0,0,0|2,0,0]=4 5989 B11R0.155 CCOC(=O)C(C)OCCCCl 34a_100000230001_100011216346 [0,2,0,0,0,0|2,0,0]=4 5990 B11R0.155 CCOC(=O)C(C)OCCCF 34a_100000759539_100011216346 [0,2,0,0,0,0|2,0,0]=4 5991 B11R0.155 CCOC(=O)C(C)OCCCN 34a_100000182051_100011216346 [0,2,0,0,0,0|2,0,0]=4 5992 B11R0.155 CCOC(=O)C(C)OCCOC 34a_100000210237_100011216346 [0,2,0,0,0,0|2,0,0]=4 5993 B11R0.155 CCOC(=O)C(C)OCCSC 34a_100000230434_100011216346 [0,2,0,0,0,0|2,0,0]=4 5994 B11R0.155 CCOC(=O)C(C)OCCSC 7a_100000230434_100011216346 [0,2,0,0,0,0|2,0,0]=4 5995 B11R0.155 CCOC(=O)C(C)SCCCF 62a_100011216346_100011934791 [0,2,0,0,0,0|2,0,0]=4 5996 B11R0.155 CCOC(=O)C(C)SCCCF 62a_100011934791_100011216346 [0,2,0,0,0,0|2,0,0]=4 5997 B11R0.155 CCOC(=O)C(C)SCCCO 62a_100011215043_100011216346 [0,2,0,0,0,0|2,0,0]=4 5998 B11R0.155 CCOC(=O)C(C)SCCCO 62a_100011216346_100011215043 [0,2,0,0,0,0|2,0,0]=4 5999 B11R0.155 CCOC(=O)C(C)SCCOC 62a_100000233755_100011216346 [0,2,0,0,0,0|2,0,0]=4 6000 B11R0.155 CCOC(=O)C(C)SCCOC 62a_100011216346_100000233755 [0,2,0,0,0,0|2,0,0]=4 6001 B11R0.155 CCOC(=O)C(C)SCCSC 62a_100000212216_100011216346 [0,2,0,0,0,0|2,0,0]=4 6002 B11R0.155 CCOC(=O)C(C)SCCSC 62a_100011216346_100000751147 [0,2,0,0,0,0|2,0,0]=4 6003 B11R0.155 CCOC(=O)C(F)NCCCF 2230a_100015189416_100000760018 [0,2,0,0,0,0|2,0,0]=4 6004 B11R0.155 CCOC(=O)C(F)NCCCF 34a_100015189416_100000760018 [0,2,0,0,0,0|2,0,0]=4 6005 B11R0.155 CCOC(=O)C(F)NCCOC 2230a_100000209980_100000760018 [0,2,0,0,0,0|2,0,0]=4 6006 B11R0.155 CCOC(=O)C(F)NCCSC 2230a_100020590264_100000760018 [0,2,0,0,0,0|2,0,0]=4 6007 B11R0.155 CCOC(=O)C(F)OCCCBr 34a_100011217188_100000760018 [0,2,0,0,0,0|2,0,0]=4 6008 B11R0.155 CCOC(=O)C(F)OCCCCl 34a_100000230001_100000760018 [0,2,0,0,0,0|2,0,0]=4 6009 B11R0.155 CCOC(=O)C(F)OCCCF 34a_100000759539_100000760018 [0,2,0,0,0,0|2,0,0]=4 6010 B11R0.155 CCOC(=O)C(F)OCCCN 34a_100000182051_100000760018 [0,2,0,0,0,0|2,0,0]=4 6011 B11R0.155 CCOC(=O)C(F)OCCOC 34a_100000210237_100000760018 [0,2,0,0,0,0|2,0,0]=4 6012 B11R0.155 CCOC(=O)C(F)OCCSC 34a_100000230434_100000760018 [0,2,0,0,0,0|2,0,0]=4 6013 B11R0.155 CCOC(=O)C(F)OCCSC 7a_100000230434_100000040065 [0,2,0,0,0,0|2,0,0]=4 6014 B11R0.155 CCOC(=O)C(F)SCCCF 62a_100000760018_100011934791 [0,2,0,0,0,0|2,0,0]=4 6015 B11R0.155 CCOC(=O)C(F)SCCCF 62a_100011934791_100000760018 [0,2,0,0,0,0|2,0,0]=4 6016 B11R0.155 CCOC(=O)C(F)SCCCO 62a_100000760018_100011215043 [0,2,0,0,0,0|2,0,0]=4 6017 B11R0.155 CCOC(=O)C(F)SCCCO 62a_100011215043_100000760018 [0,2,0,0,0,0|2,0,0]=4 6018 B11R0.155 CCOC(=O)C(F)SCCOC 62a_100000233755_100000760018 [0,2,0,0,0,0|2,0,0]=4 6019 B11R0.155 CCOC(=O)C(F)SCCOC 62a_100000760018_100000233755 [0,2,0,0,0,0|2,0,0]=4 6020 B11R0.155 CCOC(=O)C(F)SCCSC 62a_100000212216_100000760018 [0,2,0,0,0,0|2,0,0]=4 6021 B11R0.155 CCOC(=O)C(F)SCCSC 62a_100000760018_100000751147 [0,2,0,0,0,0|2,0,0]=4 6022 B11R0.155 CCOC(=O)[C@H](C)OCCCF 7a_100000751109_100011934791 [0,2,0,0,0,0|2,0,0]=4 6023 B11R0.155 CCOC(=O)[C@H](C)OCCCO 7a_100000751109_100011215043 [0,2,0,0,0,0|2,0,0]=4 6024 B11R0.155 CCOC(=O)[C@H](C)OCCOC 7a_100000751109_100000233755 [0,2,0,0,0,0|2,0,0]=4 6025 B11R0.155 CCOC(=O)[C@H](C)OCCSC 7a_100000751109_100000212216 [0,2,0,0,0,0|2,0,0]=4 6026 B11R0.155 CCOC(C)C(=O)CCCC#N 1458a_100000739345_100000211468 [0,2,0,0,0,0|2,0,0]=4 6027 B11R0.155 CCOC(C)C(=O)CCCCF 1458a_100000739345_100000729493 [0,2,0,0,0,0|2,0,0]=4 6028 B11R0.155 CCOC(C)C(=O)CCCCO 1458a_100000739345_100000210776 [0,2,0,0,0,0|2,0,0]=4 6029 B11R0.155 CCOC(C)C(=O)CCCOC 1458a_100000739345_100000740836 [0,2,0,0,0,0|2,0,0]=4 6030 B11R0.155 CCOC(C)C(=O)CCSCC 1458a_100000739345_100000757381 [0,2,0,0,0,0|2,0,0]=4 6031 B11R0.155 CCOC(C)C(=O)NCCCF 11a_100015189416_100000739345 [0,2,0,0,0,0|2,0,0]=4 6032 B11R0.155 CCOC(C)C(=O)NCCCF 1626a_100015189416_100000739345 [0,2,0,0,0,0|2,0,0]=4 6033 B11R0.155 CCOC(C)C(=O)NCCCF 240690a_100015189416_100000739345 [0,2,0,0,0,0|2,0,0]=4 6034 B11R0.155 CCOC(C)C(=O)NCCCF 527a_100015189416_100000739345 [0,2,0,0,0,0|2,0,0]=4 6035 B11R0.155 CCOC(C)C(=O)NCCCO 240690a_100000182051_100000739345 [0,2,0,0,0,0|2,0,0]=4 6036 B11R0.155 CCOC(C)C(=O)NCCCO 527a_100000182051_100000739345 [0,2,0,0,0,0|2,0,0]=4 6037 B11R0.155 CCOC(C)C(=O)NCCOC 1626a_100000209980_100000739345 [0,2,0,0,0,0|2,0,0]=4 6038 B11R0.155 CCOC(C)C(=O)NCCOC 240690a_100000209980_100000739345 [0,2,0,0,0,0|2,0,0]=4 6039 B11R0.155 CCOC(C)C(=O)NCCOC 527a_100000209980_100000739345 [0,2,0,0,0,0|2,0,0]=4 6040 B11R0.155 CCOC(C)C(=O)NCCSC 11a_100020590264_100000739345 [0,2,0,0,0,0|2,0,0]=4 6041 B11R0.155 CCOC(C)C(=O)NCCSC 1626a_100020590264_100000739345 [0,2,0,0,0,0|2,0,0]=4 6042 B11R0.155 CCOC(C)C(=O)NCCSC 240690a_100020590264_100000739345 [0,2,0,0,0,0|2,0,0]=4 6043 B11R0.155 CCOC(C)C(=O)NCCSC 527a_100020590264_100000739345 [0,2,0,0,0,0|2,0,0]=4 6044 B11R0.155 CCOCCC(=O)C(C)CCO 1458a_100000749530_100009893172 [0,2,0,0,0,0|2,0,0]=4 6045 B11R0.155 CCOCCC(=O)C(C)COC 1458a_100000749530_100000765312 [0,2,0,0,0,0|2,0,0]=4 6046 B11R0.155 CCOCCC(=O)C(C)COC 1458a_100000751857_100011215890 [0,2,0,0,0,0|2,0,0]=4 6047 B11R0.155 CCOCCC(=O)C(C)CSC 1458a_100000753918_100011215890 [0,2,0,0,0,0|2,0,0]=4 6048 B11R0.155 CCOCCC(=O)C(C)OCC 1458a_100000739345_100011215890 [0,2,0,0,0,0|2,0,0]=4 6049 B11R0.155 CCOCCC(=O)C(C)SCC 1458a_100000230601_100011215890 [0,2,0,0,0,0|2,0,0]=4 6050 B11R0.155 CCOCSC(C)C(=O)OCC 62a_100000739092_100011216346 [0,2,0,0,0,0|2,0,0]=4 6051 B11R0.155 CCOCSC(C)C(=O)OCC 62a_100011216346_100000739092 [0,2,0,0,0,0|2,0,0]=4 6052 B11R0.155 CCOCSC(F)C(=O)OCC 62a_100000739092_100000760018 [0,2,0,0,0,0|2,0,0]=4 6053 B11R0.155 CCOCSC(F)C(=O)OCC 62a_100000760018_100000739092 [0,2,0,0,0,0|2,0,0]=4 6054 B11R0.155 CCSC(=O)[C@H](C)NCCCF 2230a_100103168634_100011934791 [0,2,0,0,0,0|2,0,0]=4 6055 B11R0.155 CCSC(=O)[C@H](C)NCCCO 2230a_100103168634_100000230001 [0,2,0,0,0,0|2,0,0]=4 6056 B11R0.155 CCSC(=O)[C@H](C)NCCOC 2230a_100103168634_100011201679 [0,2,0,0,0,0|2,0,0]=4 6057 B11R0.155 CCSC(=O)[C@H](C)NCCSC 2230a_100103168634_100000751147 [0,2,0,0,0,0|2,0,0]=4 6058 B11R0.155 CCSC(C)C(=O)CCCC#N 1458a_100000230601_100000211468 [0,2,0,0,0,0|2,0,0]=4 6059 B11R0.155 CCSC(C)C(=O)CCCCF 1458a_100000230601_100000729493 [0,2,0,0,0,0|2,0,0]=4 6060 B11R0.155 CCSC(C)C(=O)CCCCO 1458a_100000230601_100000210776 [0,2,0,0,0,0|2,0,0]=4 6061 B11R0.155 CCSC(C)C(=O)CCCOC 1458a_100000230601_100000740836 [0,2,0,0,0,0|2,0,0]=4 6062 B11R0.155 CCSC(C)C(=O)NCCCF 11a_100015189416_100000230601 [0,2,0,0,0,0|2,0,0]=4 6063 B11R0.155 CCSC(C)C(=O)NCCCF 1626a_100015189416_100000230601 [0,2,0,0,0,0|2,0,0]=4 6064 B11R0.155 CCSC(C)C(=O)NCCCF 240690a_100015189416_100000230601 [0,2,0,0,0,0|2,0,0]=4 6065 B11R0.155 CCSC(C)C(=O)NCCCF 527a_100015189416_100000230601 [0,2,0,0,0,0|2,0,0]=4 6066 B11R0.155 CCSC(C)C(=O)NCCCO 240690a_100000182051_100000230601 [0,2,0,0,0,0|2,0,0]=4 6067 B11R0.155 CCSC(C)C(=O)NCCCO 527a_100000182051_100000230601 [0,2,0,0,0,0|2,0,0]=4 6068 B11R0.155 CCSC(C)C(=O)NCCOC 1626a_100000209980_100000230601 [0,2,0,0,0,0|2,0,0]=4 6069 B11R0.155 CCSC(C)C(=O)NCCOC 240690a_100000209980_100000230601 [0,2,0,0,0,0|2,0,0]=4 6070 B11R0.155 CCSC(C)C(=O)NCCOC 527a_100000209980_100000230601 [0,2,0,0,0,0|2,0,0]=4 6071 B11R0.155 CCSC(C)C(=O)NCCOC 62a_100000210202_100000230274 [0,2,0,0,0,0|2,0,0]=4 6072 B11R0.155 CCSC(C)C(=O)NCCOC 62a_100000230274_100000210202 [0,2,0,0,0,0|2,0,0]=4 6073 B11R0.155 CCSC(C)C(=O)NCCSC 11a_100020590264_100000230601 [0,2,0,0,0,0|2,0,0]=4 6074 B11R0.155 CCSC(C)C(=O)NCCSC 1626a_100020590264_100000230601 [0,2,0,0,0,0|2,0,0]=4 6075 B11R0.155 CCSC(C)C(=O)NCCSC 240690a_100020590264_100000230601 [0,2,0,0,0,0|2,0,0]=4 6076 B11R0.155 CCSC(C)C(=O)NCCSC 527a_100020590264_100000230601 [0,2,0,0,0,0|2,0,0]=4 6077 B11R0.155 CCSCCC(=O)C(C)CCO 1458a_100000230768_100009893172 [0,2,0,0,0,0|2,0,0]=4 6078 B11R0.155 CCSCCC(=O)C(C)COC 1458a_100000230768_100000765312 [0,2,0,0,0,0|2,0,0]=4 6079 B11R0.155 CCSCCC(=O)C(C)COC 1458a_100000751857_100000757381 [0,2,0,0,0,0|2,0,0]=4 6080 B11R0.155 CCSCCC(=O)C(C)CSC 1458a_100000753918_100000757381 [0,2,0,0,0,0|2,0,0]=4 6081 B11R0.155 CCSCCC(=O)C(C)SCC 1458a_100000230601_100000757381 [0,2,0,0,0,0|2,0,0]=4 6082 B11R0.155 COCC(C)C(=O)CCCC#N 1458a_100000075515_100000765312 [0,2,0,0,0,0|2,0,0]=4 6083 B11R0.155 COCC(C)C(=O)CCCC#N 1458a_100000751857_100000211468 [0,2,0,0,0,0|2,0,0]=4 6084 B11R0.155 COCC(C)C(=O)CCCCF 1458a_100000751857_100000729493 [0,2,0,0,0,0|2,0,0]=4 6085 B11R0.155 COCC(C)C(=O)CCCCO 1458a_100000695505_100000765312 [0,2,0,0,0,0|2,0,0]=4 6086 B11R0.155 COCC(C)C(=O)CCCCO 1458a_100000751857_100000210776 [0,2,0,0,0,0|2,0,0]=4 6087 B11R0.155 COCC(C)C(=O)CCCSC 1458a_100000173376_100000765312 [0,2,0,0,0,0|2,0,0]=4 6088 B11R0.155 COCC(C)C(=O)COCCO 1458a_100000708028_100000765312 [0,2,0,0,0,0|2,0,0]=4 6089 B11R0.155 COCC(C)C(=O)NCCCF 11a_100015189416_100000751857 [0,2,0,0,0,0|2,0,0]=4 6090 B11R0.155 COCC(C)C(=O)NCCCF 1626a_100015189416_100000751857 [0,2,0,0,0,0|2,0,0]=4 6091 B11R0.155 COCC(C)C(=O)NCCCF 240690a_100015189416_100000751857 [0,2,0,0,0,0|2,0,0]=4 6092 B11R0.155 COCC(C)C(=O)NCCCF 527a_100015189416_100000751857 [0,2,0,0,0,0|2,0,0]=4 6093 B11R0.155 COCC(C)C(=O)NCCCO 240690a_100000182051_100000751857 [0,2,0,0,0,0|2,0,0]=4 6094 B11R0.155 COCC(C)C(=O)NCCCO 527a_100000182051_100000751857 [0,2,0,0,0,0|2,0,0]=4 6095 B11R0.155 COCC(C)C(=O)NCCSC 11a_100020590264_100000751857 [0,2,0,0,0,0|2,0,0]=4 6096 B11R0.155 COCC(C)C(=O)NCCSC 1626a_100020590264_100000751857 [0,2,0,0,0,0|2,0,0]=4 6097 B11R0.155 COCC(C)C(=O)NCCSC 240690a_100020590264_100000751857 [0,2,0,0,0,0|2,0,0]=4 6098 B11R0.155 COCC(C)C(=O)NCCSC 527a_100020590264_100000751857 [0,2,0,0,0,0|2,0,0]=4 6099 B11R0.155 COCCCC(=O)C(C)CCO 1458a_100000741012_100009893172 [0,2,0,0,0,0|2,0,0]=4 6100 B11R0.155 COCCCC(=O)C(C)COC 1458a_100000741012_100000765312 [0,2,0,0,0,0|2,0,0]=4 6101 B11R0.155 COCCCC(=O)C(C)COC 1458a_100000751857_100000740836 [0,2,0,0,0,0|2,0,0]=4 6102 B11R0.155 COCCCC(=O)C(C)CSC 1458a_100000753918_100000740836 [0,2,0,0,0,0|2,0,0]=4 6103 B11R0.155 COCCNC(=O)C(C)COC 1626a_100000209980_100000751857 [0,2,0,0,0,0|2,0,0]=4 6104 B11R0.155 COCCNC(=O)C(C)COC 240690a_100000209980_100000751857 [0,2,0,0,0,0|2,0,0]=4 6105 B11R0.155 COCCNC(=O)C(C)COC 527a_100000209980_100000751857 [0,2,0,0,0,0|2,0,0]=4 6106 B11R0.155 COCCNC(=O)C(C)CSC 1626a_100000209980_100000753918 [0,2,0,0,0,0|2,0,0]=4 6107 B11R0.155 COCCNC(=O)C(C)CSC 240690a_100000209980_100000753918 [0,2,0,0,0,0|2,0,0]=4 6108 B11R0.155 COCCNC(=O)C(C)CSC 527a_100000209980_100000753918 [0,2,0,0,0,0|2,0,0]=4 6109 B11R0.155 CSCC(C)C(=O)CCCC#N 1458a_100000753918_100000211468 [0,2,0,0,0,0|2,0,0]=4 6110 B11R0.155 CSCC(C)C(=O)CCCCF 1458a_100000753918_100000729493 [0,2,0,0,0,0|2,0,0]=4 6111 B11R0.155 CSCC(C)C(=O)CCCCO 1458a_100000753918_100000210776 [0,2,0,0,0,0|2,0,0]=4 6112 B11R0.155 CSCC(C)C(=O)NCCCF 11a_100015189416_100000753918 [0,2,0,0,0,0|2,0,0]=4 6113 B11R0.155 CSCC(C)C(=O)NCCCF 1626a_100015189416_100000753918 [0,2,0,0,0,0|2,0,0]=4 6114 B11R0.155 CSCC(C)C(=O)NCCCF 240690a_100015189416_100000753918 [0,2,0,0,0,0|2,0,0]=4 6115 B11R0.155 CSCC(C)C(=O)NCCCF 527a_100015189416_100000753918 [0,2,0,0,0,0|2,0,0]=4 6116 B11R0.155 CSCC(C)C(=O)NCCCO 240690a_100000182051_100000753918 [0,2,0,0,0,0|2,0,0]=4 6117 B11R0.155 CSCC(C)C(=O)NCCCO 527a_100000182051_100000753918 [0,2,0,0,0,0|2,0,0]=4 6118 B11R0.155 CSCCCC(=O)C(C)CCO 1458a_100000173376_100009893172 [0,2,0,0,0,0|2,0,0]=4 6119 B11R0.155 CSCCNC(=O)C(C)CSC 11a_100020590264_100000753918 [0,2,0,0,0,0|2,0,0]=4 6120 B11R0.155 CSCCNC(=O)C(C)CSC 1626a_100020590264_100000753918 [0,2,0,0,0,0|2,0,0]=4 6121 B11R0.155 CSCCNC(=O)C(C)CSC 240690a_100020590264_100000753918 [0,2,0,0,0,0|2,0,0]=4 6122 B11R0.155 CSCCNC(=O)C(C)CSC 527a_100020590264_100000753918 [0,2,0,0,0,0|2,0,0]=4 6123 B11R0.191 CCCC(=O)N(CC)CCOC 11a_100000731262_100000211992 [0,2,0,0,0,0|2,0,0]=4 6124 B11R0.191 CCCC(=O)N(CC)CCOC 1626a_100000731262_100000211992 [0,2,0,0,0,0|2,0,0]=4 6125 B11R0.191 CCCC(=O)N(CC)CCOC 240690a_100000731262_100000211992 [0,2,0,0,0,0|2,0,0]=4 6126 B11R0.191 CCCC(=O)N(CC)CCOC 527a_100000731262_100000211992 [0,2,0,0,0,0|2,0,0]=4 6127 B11R0.191 CCCCC(CC)C(=O)CCC 1458a_100000211130_100000210303 [0,2,0,0,0,0|1,0,0]=3 6128 B11R0.191 CCCCC(CC)C(=O)CCC 1458a_100000211992_200011216223 [0,2,0,0,0,0|1,0,0]=3 6129 B11R0.191 CCCCC(CC)C(=O)CCF 1458a_100000211130_100011217306 [0,2,0,0,0,0|2,0,0]=4 6130 B11R0.191 CCCCC(CC)C(=O)CCO 1458a_100000211130_100000211926 [0,2,0,0,0,0|2,0,0]=4 6131 B11R0.191 CCCCC(CC)C(=O)CCO 1458a_100011216618_200011216223 [0,2,0,0,0,0|2,0,0]=4 6132 B11R0.191 CCCCC(CC)C(=O)COC 1458a_100000210968_200011216223 [0,2,0,0,0,0|2,0,0]=4 6133 B11R0.191 CCCCC(CC)C(=O)CSC 1458a_100000184570_200011216223 [0,2,0,0,0,0|2,0,0]=4 6134 B11R0.191 CCCCC(CC)C(=O)NCC 11a_100015525214_100000211130 [0,2,0,0,0,0|2,0,0]=4 6135 B11R0.191 CCCCC(CC)C(=O)NCC 240690a_100015525214_100000211130 [0,2,0,0,0,0|2,0,0]=4 6136 B11R0.191 CCCCC(CC)C(=O)NCC 527a_100015525214_100000211130 [0,2,0,0,0,0|2,0,0]=4 6137 B11R0.191 CCCCC(NC)C(=O)OCC 2230a_106832991635_200009813700 [0,2,0,0,0,0|2,0,0]=4 6138 B11R0.191 CCCCC(NC)C(=O)OCC 34a_100102657272_200009813700 [0,2,0,0,0,0|2,0,0]=4 6139 B11R0.191 CCCCC(NC)C(=O)OCC 7a_106832991635_200009813700 [0,2,0,0,0,0|2,0,0]=4 6140 B11R0.191 CCCCC(OC)C(=O)OCC 34a_100138415774_200009813700 [0,2,0,0,0,0|1,0,0]=3 6141 B11R0.191 CCCCC(OC)C(=O)OCC 34a_200011215408_200000210301 [0,2,0,0,0,0|1,0,0]=3 6142 B11R0.191 CCCCC(OC)C(=O)OCC 7a_200011215408_200000210301 [0,2,0,0,0,0|1,0,0]=3 6143 B11R0.191 CCCCC(OC)C(C)CCC 34a_200011217622_200000210301 [0,2,0,0,0,0|1,0,1]=4 6144 B11R0.191 CCCCC(OC)C(C)CCC 7a_200011217622_200000210301 [0,2,0,0,0,0|1,0,1]=4 6145 B11R0.191 CCCCC(O[13CH3])C(=O)OCC 34a_200011215408_200025704644 [0,2,0,0,0,0|1,0,0]=3 6146 B11R0.191 CCCCC(O[13CH3])C(=O)OCC 7a_200011215408_200025704644 [0,2,0,0,0,0|1,0,0]=3 6147 B11R0.191 CCCCC(O[13CH3])C(C)CCC 34a_200011217622_200025704644 [0,2,0,0,0,0|1,0,1]=4 6148 B11R0.191 CCCCC(O[13CH3])C(C)CCC 7a_200011217622_200025704644 [0,2,0,0,0,0|1,0,1]=4 6149 B11R0.191 CCCCC(SC)C(=O)OCC 62a_200000210301_200009813700 [0,2,0,0,0,0|1,1,0]=4 6150 B11R0.191 CCCCC(SC)C(=O)OCC 62a_200009813700_200000210301 [0,2,0,0,0,0|1,1,0]=4 6151 B11R0.191 CCCCC(S[13CH3])C(=O)OCC 62a_200009813700_200025704644 [0,2,0,0,0,0|1,1,0]=4 6152 B11R0.191 CCCCC(S[13CH3])C(=O)OCC 62a_200025704644_200009813700 [0,2,0,0,0,0|1,1,0]=4 6153 B11R0.191 CCCCN(CC)C(=O)CCC 11a_100000207695_100000211992 [0,2,0,0,0,0|2,0,0]=4 6154 B11R0.191 CCCCN(CC)C(=O)CCC 1626a_100000207695_100000211992 [0,2,0,0,0,0|2,0,0]=4 6155 B11R0.191 CCCCN(CC)C(=O)CCC 240690a_100000207695_100000211992 [0,2,0,0,0,0|2,0,0]=4 6156 B11R0.191 CCCCN(CC)C(=O)CCC 527a_100000207695_100000211992 [0,2,0,0,0,0|2,0,0]=4 6157 B11R0.191 CCCOC(CC)C(=O)OCC 34a_100000210258_100000212269 [0,2,0,0,0,0|2,0,0]=4 6158 B11R0.191 CCCOC(CC)C(=O)OCC 34a_100011216719_100000210303 [0,2,0,0,0,0|2,0,0]=4 6159 B11R0.191 CCCOC(CC)C(=O)OCC 7a_100011216719_100000210303 [0,2,0,0,0,0|2,0,0]=4 6160 B11R0.191 CCCOC(SC)C(=O)OCC 34a_100000210258_100009893047 [0,2,0,0,0,0|1,1,0]=4 6161 B11R0.191 CCCSC(C=O)C(=O)OCC 62a_100000053139_100000210303 [0,2,0,0,0,0|1,0,1]=4 6162 B11R0.191 CCCSC(C=O)C(=O)OCC 62a_100000210303_100000053139 [0,2,0,0,0,0|1,0,1]=4 6163 B11R0.191 CCCSC(CC)C(=O)OCC 62a_100000210303_100000212269 [0,2,0,0,0,0|2,0,0]=4 6164 B11R0.191 CCCSC(CC)C(=O)OCC 62a_100000212269_100000210303 [0,2,0,0,0,0|2,0,0]=4 6165 B11R0.191 CCCSC(SC)C(=O)OCC 62a_100000210303_100009893047 [0,2,0,0,0,0|1,1,0]=4 6166 B11R0.191 CCCSC(SC)C(=O)OCC 62a_100009893047_100000210303 [0,2,0,0,0,0|1,1,0]=4 6167 B11R0.247 C#CCC(=O)C(C)(O)CCCC 1458a_100000137666_100000184674 [0,2,0,0,0,0|0,0,2]=4 6168 B11R0.247 C=CCC(=O)C(C)(O)CCCC 1458a_100000137666_100000210623 [0,2,0,0,0,0|0,0,2]=4 6169 B11R0.247 CCCCC(C)(C)C(=O)CCC 1458a_100011216040_100000210303 [0,2,0,0,0,0|1,0,0]=3 6170 B11R0.247 CCCCC(C)(C)C(=O)CCF 1458a_100011216040_100011217306 [0,2,0,0,0,0|2,0,0]=4 6171 B11R0.247 CCCCC(C)(C)C(=O)CCO 1458a_100011216040_100000211926 [0,2,0,0,0,0|2,0,0]=4 6172 B11R0.247 CCCCC(C)(C)C(=O)NCC 11a_100015525214_100011216040 [0,2,0,0,0,0|2,0,0]=4 6173 B11R0.247 CCCCC(C)(C)C(=O)NCC 240690a_100015525214_100011216040 [0,2,0,0,0,0|2,0,0]=4 6174 B11R0.247 CCCCC(C)(C)C(=O)NCC 527a_100015525214_100011216040 [0,2,0,0,0,0|2,0,0]=4 6175 B11R0.247 CCCCC(C)(O)C(=O)CC#N 1458a_100000137666_100011214920 [0,2,0,0,0,0|1,0,1]=4 6176 B11R0.247 CCCCC(C)(O)C(=O)CCC 1458a_100000137666_100000210303 [0,2,0,0,0,0|0,0,0]=2 6177 B11R0.247 CCCCC(C)(O)C(=O)CCF 1458a_100000137666_100011217306 [0,2,0,0,0,0|1,0,0]=3 6178 B11R0.247 CCCCC(C)(O)C(=O)CCO 1458a_100000137666_100000211926 [0,2,0,0,0,0|1,0,0]=3 6179 B11R0.247 CCCCC(C)(O)C(=O)NCC 240690a_100015525214_100000137666 [0,2,0,0,0,0|1,0,0]=3 6180 B11R0.247 CCCCC(C)(O)C(=O)NNC 22a_100016993582_100000137666 [0,2,0,0,0,0|2,0,0]=4 6181 B11R0.247 CCCCC(F)(F)C(=O)CCC 1458a_100000100317_100000210303 [0,2,0,0,0,0|1,0,0]=3 6182 B11R0.247 CCCCC(F)(F)C(=O)CCF 1458a_100000100317_100011217306 [0,2,0,0,0,0|2,0,0]=4 6183 B11R0.247 CCCCC(F)(F)C(=O)CCO 1458a_100000100317_100000211926 [0,2,0,0,0,0|2,0,0]=4 6184 B11R0.247 CCCCC(F)(F)C(=O)NCC 11a_100015525214_100000100317 [0,2,0,0,0,0|2,0,0]=4 6185 B11R0.247 CCCCC(F)(F)C(=O)NCC 240690a_100015525214_100000100317 [0,2,0,0,0,0|2,0,0]=4 6186 B11R0.247 CCCCC(F)(F)C(=O)NCC 527a_100015525214_100000100317 [0,2,0,0,0,0|2,0,0]=4 6187 B11R0.247 CCCNS(=O)(=O)C(C)CCC 270084a_100020643023_100000718301 [0,2,0,0,0,0|2,0,0]=4 6188 B11R0.247 CCCNS(=O)(=O)C(C)CCC 274078a_100020643023_100000718301 [0,2,0,0,0,0|2,0,0]=4 6189 B11R0.247 CCCOC(C)(C)C(=O)OCC 34a_100000686869_100000210303 [0,2,0,0,0,0|2,0,0]=4 6190 B11R0.247 CCCOC(C)(C)C(=O)OCC 7a_100000686869_100000210303 [0,2,0,0,0,0|2,0,0]=4 6191 B11R0.247 CCCOC(F)(F)C(=O)OCC 34a_100000210258_100000210910 [0,2,0,0,0,0|2,0,0]=4 6192 B11R0.247 CCCSC(C)(C)C(=O)OCC 62a_100000210303_100011216345 [0,2,0,0,0,0|2,0,0]=4 6193 B11R0.247 CCCSC(C)(C)C(=O)OCC 62a_100011216345_100000210303 [0,2,0,0,0,0|2,0,0]=4 6194 B11R0.247 CCCSC(F)(F)C(=O)OCC 62a_100000210303_100000210910 [0,2,0,0,0,0|2,0,0]=4 6195 B11R0.247 CCCSC(F)(F)C(=O)OCC 62a_100000210910_100000210303 [0,2,0,0,0,0|2,0,0]=4 6196 B11R0.247 CCNC(=O)C(C)(C)CSCC 62a_100000210202_100011895991 [0,2,0,0,0,0|2,0,0]=4 6197 B11R0.247 CCNC(=O)C(C)(C)CSCC 62a_100011895991_100000210202 [0,2,0,0,0,0|2,0,0]=4 6198 B11R0.247 CCNCC(C)(C)C(=O)OCC 2230a_100015525214_100011219049 [0,2,0,0,0,0|2,0,0]=4 6199 B11R0.247 CCOC(=O)C(C)(C)CSCC 62a_100000210202_100011219049 [0,2,0,0,0,0|2,0,0]=4 6200 B11R0.247 CCOC(=O)C(C)(C)CSCC 62a_100011219049_100000210202 [0,2,0,0,0,0|2,0,0]=4 6201 B11R0.247 CCOC(=O)C(F)(F)CSCC 62a_100000210202_100009817193 [0,2,0,0,0,0|2,0,0]=4 6202 B11R0.247 CCOC(=O)C(F)(F)CSCC 62a_100009817193_100000210202 [0,2,0,0,0,0|2,0,0]=4 6203 B11R0.247 CCOCC(C)(C)C(=O)OCC 7a_100011765865_100000210202 [0,2,0,0,0,0|2,0,0]=4 6204 B11R0.247 CCOCC(F)(F)C(=O)OCC 34a_100121572206_100009817193 [0,2,0,0,0,0|2,0,0]=4 6205 B11R0.56 CCCC(=O)C(CO)NC(=O)C 1458a_200011194110_100000210303 [0,2,0,0,0,0|1,0,1]=4 6206 B11R0.56 CCCC(=O)N(CC)CC(C)C 11a_100000738554_100000211992 [0,2,0,0,0,0|2,0,0]=4 6207 B11R0.56 CCCC(=O)N(CC)CC(C)C 1626a_100000738554_100000211992 [0,2,0,0,0,0|2,0,0]=4 6208 B11R0.56 CCCC(=O)N(CC)CC(C)C 240690a_100000738554_100000211992 [0,2,0,0,0,0|2,0,0]=4 6209 B11R0.56 CCCC(=O)N(CC)CC(C)C 527a_100000738554_100000211992 [0,2,0,0,0,0|2,0,0]=4 6210 B11R0.56 CCCC(=O)N(CC)C[C@H](C)O 240690a_100000729506_100000211992 [0,2,0,0,0,0|2,0,0]=4 6211 B11R0.56 CCCC(=O)N(CC)C[C@H](C)O 527a_100000729506_100000211992 [0,2,0,0,0,0|2,0,0]=4 6212 B11R0.56 CCOC(=O)C(CC(C)C)NC 2230a_106832991635_100010269446 [0,2,0,0,0,0|2,0,0]=4 6213 B11R0.56 CCOC(=O)C(CC(C)C)NC 34a_100102657272_100010269446 [0,2,0,0,0,0|2,0,0]=4 6214 B11R0.56 CCOC(=O)C(CC(C)C)NC 7a_106832991635_100010269446 [0,2,0,0,0,0|2,0,0]=4 6215 B11R0.56 CCOC(=O)C(CC(C)C)OC 34a_100011626094_200000210301 [0,2,0,0,0,0|1,0,0]=3 6216 B11R0.56 CCOC(=O)C(CC(C)C)OC 34a_100138415774_100010269446 [0,2,0,0,0,0|1,0,0]=3 6217 B11R0.56 CCOC(=O)C(CC(C)C)OC 7a_100011626094_200000210301 [0,2,0,0,0,0|1,0,0]=3 6218 B11R0.56 CCOC(=O)C(CC(C)C)O[13CH3] 34a_100011626094_200025704644 [0,2,0,0,0,0|1,0,0]=3 6219 B11R0.56 CCOC(=O)C(CC(C)C)O[13CH3] 7a_100011626094_200025704644 [0,2,0,0,0,0|1,0,0]=3 6220 B11R0.56 CCOC(=O)C(CC(C)C)SC 62a_100010269446_200000210301 [0,2,0,0,0,0|1,1,0]=4 6221 B11R0.56 CCOC(=O)C(CC(C)C)SC 62a_200000210301_100010269446 [0,2,0,0,0,0|1,1,0]=4 6222 B11R0.56 CCOC(=O)C(CC(C)C)S[13CH3] 62a_100010269446_200025704644 [0,2,0,0,0,0|1,1,0]=4 6223 B11R0.56 CCOC(=O)C(CC(C)C)S[13CH3] 62a_200025704644_100010269446 [0,2,0,0,0,0|1,1,0]=4 6224 B11R0.58 CC(CCO)C(=O)C(C)C(C)C 1458a_100000755409_100009893172 [0,2,0,0,0,0|2,0,0]=4 6225 B11R0.58 CC(CCO)C(=O)[C@H](O)C(C)C 1458a_100000691806_100009893172 [0,2,0,0,0,0|2,0,0]=4 6226 B11R0.58 CCCC(=O)C(C)C(=O)C(C)C 1458a_100000211992_100009893295 [0,2,0,0,0,0|1,0,1]=4 6227 B11R0.58 CCCC(=O)N(C)C(C)C(C)C 11a_100000228512_100000211992 [0,2,0,0,0,0|2,0,0]=4 6228 B11R0.58 CCCC(=O)N(C)C(C)C(C)C 1626a_100000228512_100000211992 [0,2,0,0,0,0|2,0,0]=4 6229 B11R0.58 CCCC(=O)N(C)C(C)C(C)C 240690a_100000228512_100000211992 [0,2,0,0,0,0|2,0,0]=4 6230 B11R0.58 CCCC(=O)N(C)C(C)C(C)C 527a_100000228512_100000211992 [0,2,0,0,0,0|2,0,0]=4 6231 B11R0.58 CCCC(C)C(=O)C(C)C(=O)C 1458a_100000210906_100000179758 [0,2,0,0,0,0|1,0,1]=4 6232 B11R0.58 CCCC(C)C(=O)C(C)C(C)C 1458a_100000755409_100000766640 [0,2,0,0,0,0|1,0,0]=3 6233 B11R0.58 CCCC(C)C(=O)N(C)C(C)C 11a_200000211004_100000210906 [0,2,0,0,0,0|2,0,0]=4 6234 B11R0.58 CCCC(C)C(=O)N(C)C(C)C 1626a_200000211004_100000210906 [0,2,0,0,0,0|2,0,0]=4 6235 B11R0.58 CCCC(C)C(=O)N(C)C(C)C 240690a_200000211004_100000210906 [0,2,0,0,0,0|2,0,0]=4 6236 B11R0.58 CCCC(C)C(=O)N(C)C(C)C 527a_200000211004_100000210906 [0,2,0,0,0,0|2,0,0]=4 6237 B11R0.58 CCCC(C)C(=O)[C@H](C)N(C)C 1458a_100009822176_100000766640 [0,2,0,0,0,0|2,0,0]=4 6238 B11R0.58 CCCC(C)C(=O)[C@H](O)C(C)C 1458a_100000691806_100000766640 [0,2,0,0,0,0|1,0,0]=3 6239 B11R0.58 CCCN(C)C(=O)C(C)C(C)C 11a_100000747261_100000755409 [0,2,0,0,0,0|2,0,0]=4 6240 B11R0.58 CCCN(C)C(=O)C(C)C(C)C 1626a_100000747261_100000755409 [0,2,0,0,0,0|2,0,0]=4 6241 B11R0.58 CCCN(C)C(=O)C(C)C(C)C 240690a_100000747261_100000755409 [0,2,0,0,0,0|2,0,0]=4 6242 B11R0.58 CCCN(C)C(=O)C(C)C(C)C 527a_100000747261_100000755409 [0,2,0,0,0,0|2,0,0]=4 6243 B11R0.58 CCCN(C)C(=O)[C@H](O)C(C)C 240690a_100000747261_100000691806 [0,2,0,0,0,0|2,0,0]=4 6244 B11R0.58 CCC[C@H](O)C(=O)C(C)C(=O)C 1458a_100009822183_100000179758 [0,2,0,0,0,0|0,0,1]=3 6245 B11R0.58 CCC[C@H](O)C(=O)C(C)C(=O)N 1458a_100009822183_100000702099 [0,2,0,0,0,0|1,0,1]=4 6246 B11R0.58 CCC[C@H](O)C(=O)C(F)C(=O)N 1458a_100009822183_100009813875 [0,2,0,0,0,0|1,0,1]=4 6247 B11R0.58 CCC[C@H](O)C(=O)C(F)C(=O)[O-] 1458a_100009822183_100020610796 [0,2,0,0,0,0|1,0,1]=4 6248 B11R0.58 CCC[C@H](O)C(=O)N(C)C(C)C 240690a_200000211004_100009822183 [0,2,0,0,0,0|1,0,0]=3 6249 B11R0.58 COCC(C)C(=O)C(C)C(C)C 1458a_100000755409_100000765312 [0,2,0,0,0,0|2,0,0]=4 6250 B11R0.58 COCC(C)C(=O)[C@H](O)C(C)C 1458a_100000691806_100000765312 [0,2,0,0,0,0|2,0,0]=4 6251 B11R0.63 C#CC(C)C(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000035995 [0,2,0,0,0,0|0,0,2]=4 6252 B11R0.63 C=C(C)CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000748629 [0,2,0,0,0,0|1,0,1]=4 6253 B11R0.63 CC(C)CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210624 [0,2,0,0,0,0|1,0,0]=3 6254 B11R0.63 CC(C)CC(C)C(=O)C(O)CO 1458a_100011215603_100000731052 [0,2,0,0,0,0|2,0,0]=4 6255 B11R0.63 CC(C)C[C@H](O)C(=O)C(C)C#N 1458a_100012027011_100000703298 [0,2,0,0,0,0|1,0,1]=4 6256 B11R0.63 CC(C)NC(=O)[C@H](O)[C@H](O)CO 240690a_100138425928_100015448053 [0,2,0,0,0,0|2,0,0]=4 6257 B11R0.63 CC(O)CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100011218427 [0,2,0,0,0,0|1,0,0]=3 6258 B11R0.63 CCC(=O)C(C)C(=O)CC(C)C 1458a_100000210554_100000742827 [0,2,0,0,0,0|1,0,1]=4 6259 B11R0.63 CCC(=O)C(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000742827 [0,2,0,0,0,0|1,0,1]=4 6260 B11R0.63 CCC(C)C(=O)C(C)CC(C)C 1458a_100011192722_100000731052 [0,2,0,0,0,0|1,0,0]=3 6261 B11R0.63 CCC(C)C(=O)C(C)CN(C)C 1458a_200015186601_100000758301 [0,2,0,0,0,0|2,0,0]=4 6262 B11R0.63 CCC(C)C(=O)N(C)CC(C)C 11a_100000747067_100011192722 [0,2,0,0,0,0|2,0,0]=4 6263 B11R0.63 CCC(C)C(=O)N(C)CC(C)C 1626a_100000747067_100011192722 [0,2,0,0,0,0|2,0,0]=4 6264 B11R0.63 CCC(C)C(=O)N(C)CC(C)C 240690a_100000747067_100011192722 [0,2,0,0,0,0|2,0,0]=4 6265 B11R0.63 CCC(C)C(=O)N(C)CC(C)C 527a_100000747067_100011192722 [0,2,0,0,0,0|2,0,0]=4 6266 B11R0.63 CCC(C)C(=O)N(C)CC(C)O 240690a_100000227577_100011192722 [0,2,0,0,0,0|2,0,0]=4 6267 B11R0.63 CCC(C)C(=O)N(C)CC(C)O 527a_100000227577_100011192722 [0,2,0,0,0,0|2,0,0]=4 6268 B11R0.63 CCC(C)C(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000758301 [0,2,0,0,0,0|0,0,0]=2 6269 B11R0.63 CCC(C)N(C)C(=O)CC(C)C 11a_100000741768_100000210554 [0,2,0,0,0,0|2,0,0]=4 6270 B11R0.63 CCC(C)N(C)C(=O)CC(C)C 1626a_100000741768_100000210554 [0,2,0,0,0,0|2,0,0]=4 6271 B11R0.63 CCC(C)N(C)C(=O)CC(C)C 240690a_100000741768_100000210554 [0,2,0,0,0,0|2,0,0]=4 6272 B11R0.63 CCC(C)N(C)C(=O)CC(C)C 527a_100000741768_100000210554 [0,2,0,0,0,0|2,0,0]=4 6273 B11R0.63 CCC(C)N(C)C(=O)C[C@@H](C)O 240690a_100000741768_100011933948 [0,2,0,0,0,0|2,0,0]=4 6274 B11R0.63 CCC(O)C(=O)C(C)CC(C)C 1458a_100011196387_100000731052 [0,2,0,0,0,0|1,0,0]=3 6275 B11R0.63 CCC(O)C(=O)N(C)CC(C)C 240690a_100000747067_100011196387 [0,2,0,0,0,0|2,0,0]=4 6276 B11R0.63 CCC(O)C(=O)N(C)CC(C)O 240690a_100000227577_100011196387 [0,2,0,0,0,0|2,0,0]=4 6277 B11R0.63 CCN(C)C(=O)[C@@H](O)CC(C)C 1626a_100000225621_100012027011 [0,2,0,0,0,0|1,0,0]=3 6278 B11R0.63 CCN(C)C(=O)[C@@H](O)CC(C)C 240690a_100000225621_100012027011 [0,2,0,0,0,0|1,0,0]=3 6279 B11R0.63 CCN(C)C(C)C(=O)CC(C)C 1458a_100011281945_100000210624 [0,2,0,0,0,0|2,0,0]=4 6280 B11R0.63 CCN(C)C(C)C(=O)CC(C)O 1458a_100011281945_100011218427 [0,2,0,0,0,0|2,0,0]=4 6281 B11R0.63 COC(C)C(=O)C(C)CC(C)C 1458a_100000743197_100000731052 [0,2,0,0,0,0|2,0,0]=4 6282 B11R0.63 CSC(C)C(=O)C(C)CC(C)C 1458a_100000149566_100000731052 [0,2,0,0,0,0|2,0,0]=4 6283 B11R0.63 O=C(CC(F)F)[C@H](O)[C@H](O)CO 1458a_100015448053_100011934356 [0,2,0,0,0,0|2,0,0]=4 6284 B11R0.99 C=C(C)CC(=O)C(C)(C)CCC 1458a_100011215034_100000748629 [0,2,0,0,0,0|1,0,1]=4 6285 B11R0.99 CCCC(C)(C)C(=O)CC(C)C 1458a_100011215034_100000210624 [0,2,0,0,0,0|1,0,0]=3 6286 B11R0.99 CCCC(C)(C)C(=O)CC(C)O 1458a_100011215034_100011218427 [0,2,0,0,0,0|1,0,0]=3 6287 B11R0.99 CCCC(C)(C)C(=O)CC(F)F 1458a_100011215034_100011934356 [0,2,0,0,0,0|2,0,0]=4 6288 B11R0.99 CCCC(C)(C)C(=O)NC(C)C 11a_100138425928_100011215034 [0,2,0,0,0,0|2,0,0]=4 6289 B11R0.99 CCCC(C)(C)C(=O)NC(C)C 1626a_100138425928_100011215034 [0,2,0,0,0,0|2,0,0]=4 6290 B11R0.99 CCCC(C)(C)C(=O)NC(C)C 240690a_100138425928_100011215034 [0,2,0,0,0,0|2,0,0]=4 6291 B11R0.99 CCCC(C)(C)C(=O)NC(C)C 527a_100138425928_100011215034 [0,2,0,0,0,0|2,0,0]=4 6292 B11R0.99 CCOC(C)(C)C(=O)CC(C)C 1458a_100011458965_100000210624 [0,2,0,0,0,0|2,0,0]=4 6293 B11R0.99 CCOC(C)(C)C(=O)CC(C)O 1458a_100011458965_100011218427 [0,2,0,0,0,0|2,0,0]=4 6294 B11R0.133 C=C(C)CC(=O)C(CC)CCC 1458a_100011416436_100000748629 [0,2,0,0,0,0|1,0,1]=4 6295 B11R0.133 CCCC(CC)C(=O)CC(C)C 1458a_100000210554_100011219200 [0,2,0,0,0,0|1,0,0]=3 6296 B11R0.133 CCCC(CC)C(=O)CC(C)C 1458a_100011416436_100000210624 [0,2,0,0,0,0|1,0,0]=3 6297 B11R0.133 CCCC(CC)C(=O)CC(C)O 1458a_100011416436_100011218427 [0,2,0,0,0,0|1,0,0]=3 6298 B11R0.133 CCCC(CC)C(=O)CC(F)F 1458a_100011416436_100011934356 [0,2,0,0,0,0|2,0,0]=4 6299 B11R0.133 CCCC(CC)C(=O)CN(C)C 1458a_100000750896_100011219200 [0,2,0,0,0,0|2,0,0]=4 6300 B11R0.133 CCCC(CC)C(=O)C[C@@H](C)O 1458a_100011933948_100011219200 [0,2,0,0,0,0|1,0,0]=3 6301 B11R0.133 CCCC(CC)C(=O)C[S+](C)C 1458a_200159257847_100011219200 [0,2,0,0,0,0|2,0,0]=4 6302 B11R0.133 CCCC(CC)C(=O)NC(C)C 11a_100138425928_100011416436 [0,2,0,0,0,0|2,0,0]=4 6303 B11R0.133 CCCC(CC)C(=O)NC(C)C 1626a_100138425928_100011416436 [0,2,0,0,0,0|2,0,0]=4 6304 B11R0.133 CCCC(CC)C(=O)NC(C)C 240690a_100138425928_100011416436 [0,2,0,0,0,0|2,0,0]=4 6305 B11R0.133 CCCC(CC)C(=O)NC(C)C 527a_100138425928_100011416436 [0,2,0,0,0,0|2,0,0]=4 6306 B11R0.133 CCCN(CC)C(=O)CC(C)C 11a_100000226822_100000210554 [0,2,0,0,0,0|2,0,0]=4 6307 B11R0.133 CCCN(CC)C(=O)CC(C)C 1626a_100000226822_100000210554 [0,2,0,0,0,0|2,0,0]=4 6308 B11R0.133 CCCN(CC)C(=O)CC(C)C 240690a_100000226822_100000210554 [0,2,0,0,0,0|2,0,0]=4 6309 B11R0.133 CCCN(CC)C(=O)CC(C)C 527a_100000226822_100000210554 [0,2,0,0,0,0|2,0,0]=4 6310 B11R0.133 CCCN(CC)C(=O)C[C@@H](C)O 240690a_100000226822_100011933948 [0,2,0,0,0,0|2,0,0]=4 6311 B11R0.149 C=C(C)CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000748629 [0,2,0,0,0,0|0,0,1]=3 6312 B11R0.149 C=C(F)CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100009893438 [0,2,0,0,0,0|0,0,2]=4 6313 B11R0.149 CC(C)CC(=O)C(C)CC(C)C 1458a_100000210554_100000731052 [0,2,0,0,0,0|1,0,0]=3 6314 B11R0.149 CC(C)CC(=O)C(C)CN(C)C 1458a_200015186601_100000210624 [0,2,0,0,0,0|2,0,0]=4 6315 B11R0.149 CC(C)CC(=O)N(C)CC(C)C 11a_100000747067_100000210554 [0,2,0,0,0,0|2,0,0]=4 6316 B11R0.149 CC(C)CC(=O)N(C)CC(C)C 1626a_100000747067_100000210554 [0,2,0,0,0,0|2,0,0]=4 6317 B11R0.149 CC(C)CC(=O)N(C)CC(C)C 240690a_100000747067_100000210554 [0,2,0,0,0,0|2,0,0]=4 6318 B11R0.149 CC(C)CC(=O)N(C)CC(C)C 527a_100000747067_100000210554 [0,2,0,0,0,0|2,0,0]=4 6319 B11R0.149 CC(C)CC(=O)N(C)CC(C)O 240690a_100000227577_100000210554 [0,2,0,0,0,0|2,0,0]=4 6320 B11R0.149 CC(C)CC(=O)N(C)CC(C)O 527a_100000227577_100000210554 [0,2,0,0,0,0|2,0,0]=4 6321 B11R0.149 CC(C)CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210624 [0,2,0,0,0,0|0,0,0]=2 6322 B11R0.149 CC(C)CC(C)C(=O)CN(C)C 1458a_100000750896_100000731052 [0,2,0,0,0,0|2,0,0]=4 6323 B11R0.149 CC(C)CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000731052 [0,2,0,0,0,0|1,0,0]=3 6324 B11R0.149 CC(C)CC(C)C(=O)C[S+](C)C 1458a_200159257847_100000731052 [0,2,0,0,0,0|2,0,0]=4 6325 B11R0.149 CC(C)CN(C)C(=O)C[C@@H](C)O 240690a_100000747067_100011933948 [0,2,0,0,0,0|2,0,0]=4 6326 B11R0.149 CC(C)C[C@H](O)C(=O)CC(=O)N 1458a_100012027011_100000187820 [0,2,0,0,0,0|1,0,1]=4 6327 B11R0.149 CC(C)C[C@H](O)C(=O)CC(=O)[O-] 1458a_100012027011_100020667443 [0,2,0,0,0,0|1,0,1]=4 6328 B11R0.149 CC(C)C[C@H](O)C(=O)CC(C)O 1458a_100012027011_100011218427 [0,2,0,0,0,0|0,0,0]=2 6329 B11R0.149 CC(C)C[C@H](O)C(=O)CC(F)F 1458a_100012027011_100011934356 [0,2,0,0,0,0|1,0,0]=3 6330 B11R0.149 CC(C)C[C@H](O)C(=O)C[N+](=O)[O-] 1458a_100012027011_100000761209 [0,2,0,0,0,0|2,0,0]=4 6331 B11R0.149 CC(C)C[C@H](O)C(=O)NC(C)C 1626a_100138425928_100012027011 [0,2,0,0,0,0|1,0,0]=3 6332 B11R0.149 CC(C)C[C@H](O)C(=O)NC(C)C 240690a_100138425928_100012027011 [0,2,0,0,0,0|1,0,0]=3 6333 B11R0.149 CC(O)CC(=O)C(C)CN(C)C 1458a_200015186601_100011218427 [0,2,0,0,0,0|2,0,0]=4 6334 B11R0.149 CC(O)CN(C)C(=O)C[C@@H](C)O 240690a_100000227577_100011933948 [0,2,0,0,0,0|2,0,0]=4 6335 B11R0.186 CC(CCO)C(=O)CC(C)(C)C 1458a_100000211214_100009893172 [0,2,0,0,0,0|2,0,0]=4 6336 B11R0.186 CC(CCO)C(=O)CC(C)(C)O 1458a_100000693243_100009893172 [0,2,0,0,0,0|2,0,0]=4 6337 B11R0.186 CCCC(=O)C(C)CC(F)(F)F 1458a_100000211992_200000065471 [0,2,0,0,0,0|2,0,0]=4 6338 B11R0.186 CCCC(=O)C(C)CC(F)(F)F 1458a_100011216114_100000210303 [0,2,0,0,0,0|2,0,0]=4 6339 B11R0.186 CCCC(=O)N(C)CC(C)(C)C 11a_100000742839_100000211992 [0,2,0,0,0,0|2,0,0]=4 6340 B11R0.186 CCCC(=O)N(C)CC(C)(C)C 1626a_100000742839_100000211992 [0,2,0,0,0,0|2,0,0]=4 6341 B11R0.186 CCCC(=O)N(C)CC(C)(C)C 240690a_100000742839_100000211992 [0,2,0,0,0,0|2,0,0]=4 6342 B11R0.186 CCCC(=O)N(C)CC(C)(C)C 527a_100000742839_100000211992 [0,2,0,0,0,0|2,0,0]=4 6343 B11R0.186 CCCC(=O)N(C)CC(C)(C)O 1626a_100000755907_100000211992 [0,2,0,0,0,0|2,0,0]=4 6344 B11R0.186 CCCC(=O)N(C)CC(C)(C)O 240690a_100000755907_100000211992 [0,2,0,0,0,0|2,0,0]=4 6345 B11R0.186 CCCC(=O)N(C)CC(C)(C)O 527a_100000755907_100000211992 [0,2,0,0,0,0|2,0,0]=4 6346 B11R0.186 CCCC(C)C(=O)CC(C)(C)C 1458a_100000211214_100000766640 [0,2,0,0,0,0|1,0,0]=3 6347 B11R0.186 CCCC(C)C(=O)CC(C)(C)O 1458a_100000693243_100000766640 [0,2,0,0,0,0|1,0,0]=3 6348 B11R0.186 CCCC(C)C(=O)CC(F)(F)F 1458a_100000245130_100000766640 [0,2,0,0,0,0|2,0,0]=4 6349 B11R0.186 CCCC(C)C(=O)CS(=O)(=O)C 1458a_100000744497_100000766640 [0,2,0,0,0,0|2,0,0]=4 6350 B11R0.186 CCCC(C)C(=O)C[N+](C)(C)C 1458a_100000033712_100000766640 [0,2,0,0,0,0|2,0,0]=4 6351 B11R0.186 CCCC(C)C(=O)C[Si](C)(C)C 1458a_100000210906_100000233785 [0,2,0,0,0,0|1,1,0]=4 6352 B11R0.186 CCCC(C)C(=O)C[Si](C)(C)C 1458a_100011218504_100000766640 [0,2,0,0,0,0|1,1,0]=4 6353 B11R0.186 CCCC(C)C(=O)NC(C)(C)C 11a_100000715429_100000210906 [0,2,0,0,0,0|2,0,0]=4 6354 B11R0.186 CCCC(C)C(=O)NC(C)(C)C 1626a_100000715429_100000210906 [0,2,0,0,0,0|2,0,0]=4 6355 B11R0.186 CCCC(C)C(=O)NC(C)(C)C 240690a_100000715429_100000210906 [0,2,0,0,0,0|2,0,0]=4 6356 B11R0.186 CCCC(C)C(=O)NC(C)(C)C 527a_100000715429_100000210906 [0,2,0,0,0,0|2,0,0]=4 6357 B11R0.186 CCCN(C)C(=O)CC(C)(C)C 11a_100000747261_100000211214 [0,2,0,0,0,0|2,0,0]=4 6358 B11R0.186 CCCN(C)C(=O)CC(C)(C)C 1626a_100000747261_100000211214 [0,2,0,0,0,0|2,0,0]=4 6359 B11R0.186 CCCN(C)C(=O)CC(C)(C)C 240690a_100000747261_100000211214 [0,2,0,0,0,0|2,0,0]=4 6360 B11R0.186 CCCN(C)C(=O)CC(C)(C)C 527a_100000747261_100000211214 [0,2,0,0,0,0|2,0,0]=4 6361 B11R0.186 CCCN(C)C(=O)CC(C)(C)O 527a_100000747261_100000693243 [0,2,0,0,0,0|2,0,0]=4 6362 B11R0.186 CCC[C@H](O)C(=O)CS(=O)(=O)N 1458a_100009822183_100000741382 [0,2,0,0,0,0|2,0,0]=4 6363 B11R0.186 CCC[C@H](O)C(=O)CS(=O)(=O)[O-] 1458a_100009822183_100009817235 [0,2,0,0,0,0|2,0,0]=4 6364 B11R0.186 CCC[C@H](O)C(=O)C[Si](C)(C)C 1458a_100009822183_100000233785 [0,2,0,0,0,0|0,1,0]=3 6365 B11R0.186 CCC[C@H](O)C(=O)NC(C)(C)C 240690a_100000715429_100009822183 [0,2,0,0,0,0|1,0,0]=3 6366 B11R0.186 CCC[C@H](O)C(=O)NS(=O)(=O)C 2740a_100000171171_100009822183 [0,2,0,0,0,0|2,0,0]=4 6367 B11R0.186 COCC(C)C(=O)CC(C)(C)C 1458a_100000211214_100000765312 [0,2,0,0,0,0|2,0,0]=4 6368 B11R0.186 COCC(C)C(=O)CC(C)(C)O 1458a_100000693243_100000765312 [0,2,0,0,0,0|2,0,0]=4 6369 B11R0.240 C#CCC(=O)C(C)(O)CC(C)C 1458a_100011434877_100000184674 [0,2,0,0,0,0|0,0,2]=4 6370 B11R0.240 C=CCC(=O)C(C)(O)CC(C)C 1458a_100011434877_100000210623 [0,2,0,0,0,0|0,0,2]=4 6371 B11R0.240 CC(C)CC(C)(O)C(=O)CC#N 1458a_100011434877_100011214920 [0,2,0,0,0,0|1,0,1]=4 6372 B11R0.240 CC(C)CC(C)(O)C(=O)CCF 1458a_100011434877_100011217306 [0,2,0,0,0,0|1,0,0]=3 6373 B11R0.240 CC(C)CC(C)(O)C(=O)CCO 1458a_100011434877_100000211926 [0,2,0,0,0,0|1,0,0]=3 6374 B11R0.240 CCCC(=O)C(C)(O)CC(C)C 1458a_100011434877_100000210303 [0,2,0,0,0,0|0,0,0]=2 6375 B11R0.240 CCNC(=O)C(C)(O)CC(C)C 240690a_100015525214_100011434877 [0,2,0,0,0,0|1,0,0]=3 6376 B11R0.240 CNNC(=O)C(C)(O)CC(C)C 22a_100016993582_100011434877 [0,2,0,0,0,0|2,0,0]=4 6377 B11R0.18 CCCC(CC)C(=O)C(C)CC 1458a_100011192722_100011219200 [0,2,0,0,0,0|1,0,0]=3 6378 B11R0.18 CCCC(CC)C(=O)C(C)CC 1458a_100011416436_100000758301 [0,2,0,0,0,0|1,0,0]=3 6379 B11R0.18 CCCC(CC)C(=O)C(C)OC 1458a_100000743197_100011219200 [0,2,0,0,0,0|2,0,0]=4 6380 B11R0.18 CCCC(CC)C(=O)C(C)SC 1458a_100000149566_100011219200 [0,2,0,0,0,0|2,0,0]=4 6381 B11R0.18 CCCC(CC)C(=O)C(O)CC 1458a_100011196387_100011219200 [0,2,0,0,0,0|1,0,0]=3 6382 B11R0.18 CCCC(CC)C(=O)C(O)CO 1458a_100011215603_100011219200 [0,2,0,0,0,0|2,0,0]=4 6383 B11R0.18 CCCC(CC)C(=O)N(C)CC 11a_100000225621_100011416436 [0,2,0,0,0,0|2,0,0]=4 6384 B11R0.18 CCCC(CC)C(=O)N(C)CC 1626a_100000225621_100011416436 [0,2,0,0,0,0|2,0,0]=4 6385 B11R0.18 CCCC(CC)C(=O)N(C)CC 240690a_100000225621_100011416436 [0,2,0,0,0,0|2,0,0]=4 6386 B11R0.18 CCCC(CC)C(=O)N(C)CC 527a_100000225621_100011416436 [0,2,0,0,0,0|2,0,0]=4 6387 B11R0.18 CCCN(CC)C(=O)C(C)CC 11a_100000226822_100011192722 [0,2,0,0,0,0|2,0,0]=4 6388 B11R0.18 CCCN(CC)C(=O)C(C)CC 1626a_100000226822_100011192722 [0,2,0,0,0,0|2,0,0]=4 6389 B11R0.18 CCCN(CC)C(=O)C(C)CC 240690a_100000226822_100011192722 [0,2,0,0,0,0|2,0,0]=4 6390 B11R0.18 CCCN(CC)C(=O)C(C)CC 527a_100000226822_100011192722 [0,2,0,0,0,0|2,0,0]=4 6391 B11R0.18 CCCN(CC)C(=O)C(O)CC 240690a_100000226822_100011196387 [0,2,0,0,0,0|2,0,0]=4 6392 B11R0.53 CCCC(=O)C(CC)N(C)CC 1458a_100011345578_100000210303 [0,2,0,0,0,0|2,0,0]=4 6393 B11R0.53 CCCC(=O)C(CO)C(=O)OC 1458a_100000211992_100012276630 [0,2,0,0,0,0|1,0,1]=4 6394 B11R0.53 CCCC(=O)N(CC)C(C)CC 11a_100000732650_100000211992 [0,2,0,0,0,0|2,0,0]=4 6395 B11R0.53 CCCC(=O)N(CC)C(C)CC 1626a_100000732650_100000211992 [0,2,0,0,0,0|2,0,0]=4 6396 B11R0.53 CCCC(=O)N(CC)C(C)CC 240690a_100000732650_100000211992 [0,2,0,0,0,0|2,0,0]=4 6397 B11R0.53 CCCC(=O)N(CC)C(C)CC 527a_100000732650_100000211992 [0,2,0,0,0,0|2,0,0]=4 6398 B11R0.57 CCCC(=O)C(SCC)C(C)C 1458a_100000750736_100000210303 [0,2,0,0,0,0|2,0,0]=4 6399 B11R0.57 CCCC(=O)N(CCC)C(C)C 11a_106256033942_100000211992 [0,2,0,0,0,0|2,0,0]=4 6400 B11R0.57 CCCC(=O)N(CCC)C(C)C 1626a_106256033942_100000211992 [0,2,0,0,0,0|2,0,0]=4 6401 B11R0.57 CCCC(=O)N(CCC)C(C)C 240690a_106256033942_100000211992 [0,2,0,0,0,0|2,0,0]=4 6402 B11R0.57 CCCC(=O)N(CCC)C(C)C 527a_106256033942_100000211992 [0,2,0,0,0,0|2,0,0]=4 6403 B11R0.57 CCCC(C(=O)C)C(=O)OCC 1458a_100000070787_100000695697 [0,2,0,0,0,0|1,0,1]=4 6404 B11R0.57 CCCC(C(=O)OCC)N(C)C 2230a_100102631434_100000695697 [0,2,0,0,0,0|2,0,0]=4 6405 B11R0.57 CCCC(C(=O)OCC)N(C)C 269982a_100102631434_100000695697 [0,2,0,0,0,0|2,0,0]=4 6406 B11R0.61 CCCC(=O)C(CCC)CCC 1458a_100000211992_200011218217 [0,2,0,0,0,0|1,0,0]=3 6407 B11R0.61 CCCC(=O)C(CCC)CCC 1458a_100011215354_100000210303 [0,2,0,0,0,0|1,0,0]=3 6408 B11R0.61 CCCC(=O)C(CCC)OCC 34a_200011216804_100000210202 [0,2,0,0,0,0|0,0,0]=2 6409 B11R0.61 CCCC(=O)C(CCC)OCC 7a_200011216804_100000210202 [0,2,0,0,0,0|0,0,0]=2 6410 B11R0.61 CCCC(=O)C(CCC)OCF 34a_200011216804_100015361967 [0,2,0,0,0,0|0,0,0]=2 6411 B11R0.61 CCCC(=O)C(CCC)OCF 7a_200011216804_100015361967 [0,2,0,0,0,0|0,0,0]=2 6412 B11R0.61 CCCC(=O)C(OCC)OCC 1458a_100000082760_100000210303 [0,2,0,0,0,0|1,0,0]=3 6413 B11R0.61 CCCC(=O)N(CCC)CCC 11a_100000210455_100000211992 [0,2,0,0,0,0|2,0,0]=4 6414 B11R0.61 CCCC(=O)N(CCC)CCC 1626a_100000210455_100000211992 [0,2,0,0,0,0|2,0,0]=4 6415 B11R0.61 CCCC(=O)N(CCC)CCC 240690a_100000210455_100000211992 [0,2,0,0,0,0|2,0,0]=4 6416 B11R0.61 CCCC(=O)N(CCC)CCC 527a_100000210455_100000211992 [0,2,0,0,0,0|2,0,0]=4 6417 B11R0.61 CCCC(=O)N(CCC)CCO 240690a_100000211420_100000211992 [0,2,0,0,0,0|1,0,0]=3 6418 B11R0.61 CCCC(=O)N(CCO)CCO 240690a_100000210587_100000211992 [0,2,0,0,0,0|2,0,0]=4 6419 B11R0.61 CCCC(CCC)C(=O)CCF 1458a_100011215354_100011217306 [0,2,0,0,0,0|2,0,0]=4 6420 B11R0.61 CCCC(CCC)C(=O)CCO 1458a_100011215354_100000211926 [0,2,0,0,0,0|2,0,0]=4 6421 B11R0.61 CCCC(CCC)C(=O)CCO 1458a_100011216618_200011218217 [0,2,0,0,0,0|2,0,0]=4 6422 B11R0.61 CCCC(CCC)C(=O)COC 1458a_100000210968_200011218217 [0,2,0,0,0,0|2,0,0]=4 6423 B11R0.61 CCCC(CCC)C(=O)CSC 1458a_100000184570_200011218217 [0,2,0,0,0,0|2,0,0]=4 6424 B11R0.61 CCCC(CCC)C(=O)NCC 11a_100015525214_100011215354 [0,2,0,0,0,0|2,0,0]=4 6425 B11R0.61 CCCC(CCC)C(=O)NCC 240690a_100015525214_100011215354 [0,2,0,0,0,0|2,0,0]=4 6426 B11R0.61 CCCC(CCC)C(=O)NCC 527a_100015525214_100011215354 [0,2,0,0,0,0|2,0,0]=4 6427 B11R0.61 CCCC(NCC)C(=O)OCC 2230a_100015525214_100000695697 [0,2,0,0,0,0|2,0,0]=4 6428 B11R0.61 CCCC(OCC)C(=O)OCC 34a_100121572206_100000695697 [0,2,0,0,0,0|1,0,0]=3 6429 B11R0.61 CCCC(OCC)C(=O)OCC 34a_200011218214_100000210202 [0,2,0,0,0,0|1,0,0]=3 6430 B11R0.61 CCCC(OCC)C(=O)OCC 7a_200011218214_100000210202 [0,2,0,0,0,0|1,0,0]=3 6431 B11R0.61 CCCC(OCF)C(=O)OCC 34a_200011218214_100015361967 [0,2,0,0,0,0|1,0,0]=3 6432 B11R0.61 CCCC(OCF)C(=O)OCC 7a_200011218214_100015361967 [0,2,0,0,0,0|1,0,0]=3 6433 B11R0.61 CCCC(SCC)C(=O)OCC 62a_100000210202_100000695697 [0,2,0,0,0,0|1,1,0]=4 6434 B11R0.61 CCCC(SCC)C(=O)OCC 62a_100000695697_100000210202 [0,2,0,0,0,0|1,1,0]=4 6435 B11R0.61 CCCC(SCF)C(=O)OCC 62a_100000695697_100015361967 [0,2,0,0,0,0|1,1,0]=4 6436 B11R0.61 CCCC(SCF)C(=O)OCC 62a_100015361967_100000695697 [0,2,0,0,0,0|1,1,0]=4 6437 B11R0.61 CCCN(CCO)C(=O)CCO 240690a_100000211420_100011216618 [0,2,0,0,0,0|2,0,0]=4 6438 B11R0.61 CCCN(CCO)C(=O)COC 240690a_100000211420_100000210968 [0,2,0,0,0,0|2,0,0]=4 6439 B11R0.61 CCCN(CCO)C(=O)CSC 240690a_100000211420_100000184570 [0,2,0,0,0,0|2,0,0]=4 6440 B11R0.61 CCCN(CCO)C(=O)NCC 2708a_100015525214_100000211420 [0,2,0,0,0,0|2,0,0]=4 6441 B11R0.61 CCCN(CCO)C(=O)NCC 273464a_100015525214_100000211420 [0,2,0,0,0,0|2,0,0]=4 6442 B11R0.61 CCNC(=O)C(OCC)OCC 11a_100015525214_100000082760 [0,2,0,0,0,0|2,0,0]=4 6443 B11R0.61 CCNC(=O)C(OCC)OCC 240690a_100015525214_100000082760 [0,2,0,0,0,0|2,0,0]=4 6444 B11R0.61 CCNC(=O)C(OCC)OCC 527a_100015525214_100000082760 [0,2,0,0,0,0|2,0,0]=4 6445 B11R0.61 CCOC(=O)C(OCC)OCC 34a_100121572206_100000033883 [0,2,0,0,0,0|2,0,0]=4 6446 B11R0.61 CCOC(=O)C(OCC)SCC 62a_100000033883_100000210202 [0,2,0,0,0,0|2,0,0]=4 6447 B11R0.61 CCOC(=O)C(OCC)SCC 62a_100000210202_100000033883 [0,2,0,0,0,0|2,0,0]=4 6448 B11R0.61 CCOC(OCC)C(=O)CCF 1458a_100000082760_100011217306 [0,2,0,0,0,0|2,0,0]=4 6449 B11R0.61 CCOC(OCC)C(=O)CCO 1458a_100000082760_100000211926 [0,2,0,0,0,0|2,0,0]=4 6450 B11R0.241 CCCC(=O)C(C)(CC)CCC 1458a_100000211992_200000040151 [0,2,0,0,0,0|1,0,0]=3 6451 B11R0.241 CCCC(=O)C(C)(CC)CCC 1458a_200000724995_100000210303 [0,2,0,0,0,0|1,0,0]=3 6452 B11R0.241 CCCC(C)(CC)C(=O)CCF 1458a_200000724995_100011217306 [0,2,0,0,0,0|2,0,0]=4 6453 B11R0.241 CCCC(C)(CC)C(=O)CCO 1458a_100011216618_200000040151 [0,2,0,0,0,0|2,0,0]=4 6454 B11R0.241 CCCC(C)(CC)C(=O)CCO 1458a_200000724995_100000211926 [0,2,0,0,0,0|2,0,0]=4 6455 B11R0.241 CCCC(C)(CC)C(=O)COC 1458a_100000210968_200000040151 [0,2,0,0,0,0|2,0,0]=4 6456 B11R0.241 CCCC(C)(CC)C(=O)CSC 1458a_100000184570_200000040151 [0,2,0,0,0,0|2,0,0]=4 6457 B11R0.241 CCCC(C)(CC)C(=O)NCC 11a_100015525214_200000724995 [0,2,0,0,0,0|2,0,0]=4 6458 B11R0.241 CCCC(C)(CC)C(=O)NCC 240690a_100015525214_200000724995 [0,2,0,0,0,0|2,0,0]=4 6459 B11R0.241 CCCC(C)(CC)C(=O)NCC 527a_100015525214_200000724995 [0,2,0,0,0,0|2,0,0]=4 6460 B11R0.66 CCC(=O)C(C)C(=O)C(C)CC 1458a_100011192722_100000742827 [0,2,0,0,0,0|1,0,1]=4 6461 B11R0.66 CCC(=O)C(C)C(=O)C(O)CC 1458a_100011196387_100000742827 [0,2,0,0,0,0|1,0,1]=4 6462 B11R0.66 CCC(C)C(=O)C(C)N(C)CC 1458a_100011281945_100000758301 [0,2,0,0,0,0|2,0,0]=4 6463 B11R0.66 CCC(C)C(=O)N(C)C(C)CC 11a_100000741768_100011192722 [0,2,0,0,0,0|2,0,0]=4 6464 B11R0.66 CCC(C)C(=O)N(C)C(C)CC 1626a_100000741768_100011192722 [0,2,0,0,0,0|2,0,0]=4 6465 B11R0.66 CCC(C)C(=O)N(C)C(C)CC 240690a_100000741768_100011192722 [0,2,0,0,0,0|2,0,0]=4 6466 B11R0.66 CCC(C)C(=O)N(C)C(C)CC 527a_100000741768_100011192722 [0,2,0,0,0,0|2,0,0]=4 6467 B11R0.66 CCC(C)C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000758301 [0,2,0,0,0,0|1,0,0]=3 6468 B11R0.66 CCC(O)C(=O)N(C)C(C)CC 240690a_100000741768_100011196387 [0,2,0,0,0,0|2,0,0]=4 6469 B11R0.66 CCN(C)C(=O)[C@H](O)[C@H](O)CO 240690a_100000225621_100015448053 [0,2,0,0,0,0|2,0,0]=4 6470 B11R0.103 CCCC(C)(C)C(=O)C(C)CC 1458a_100011215034_100000758301 [0,2,0,0,0,0|1,0,0]=3 6471 B11R0.103 CCCC(C)(C)C(=O)N(C)CC 11a_100000225621_100011215034 [0,2,0,0,0,0|2,0,0]=4 6472 B11R0.103 CCCC(C)(C)C(=O)N(C)CC 1626a_100000225621_100011215034 [0,2,0,0,0,0|2,0,0]=4 6473 B11R0.103 CCCC(C)(C)C(=O)N(C)CC 240690a_100000225621_100011215034 [0,2,0,0,0,0|2,0,0]=4 6474 B11R0.103 CCCC(C)(C)C(=O)N(C)CC 527a_100000225621_100011215034 [0,2,0,0,0,0|2,0,0]=4 6475 B11R0.103 CCOC(C)(C)C(=O)C(C)CC 1458a_100011458965_100000758301 [0,2,0,0,0,0|2,0,0]=4 6476 B11R0.122 C#CC(C)(C)C(=O)[C@@H](O)CCC 1458a_100009822183_100000038118 [0,2,0,0,0,0|0,0,2]=4 6477 B11R0.122 CCC(C)(C)C(=O)C(C)CCO 1458a_100000749717_100009893172 [0,2,0,0,0,0|2,0,0]=4 6478 B11R0.122 CCC(C)(C)C(=O)C(C)COC 1458a_100000749717_100000765312 [0,2,0,0,0,0|2,0,0]=4 6479 B11R0.122 CCC(C)(O)C(=O)C(C)CCO 1458a_100011219770_100009893172 [0,2,0,0,0,0|2,0,0]=4 6480 B11R0.122 CCC(C)(O)C(=O)C(C)COC 1458a_100011219770_100000765312 [0,2,0,0,0,0|2,0,0]=4 6481 B11R0.122 CCC(F)(F)C(=O)C(C)CCO 1458a_100000061896_100009893172 [0,2,0,0,0,0|2,0,0]=4 6482 B11R0.122 CCC(F)(F)C(=O)C(C)COC 1458a_100000061896_100000765312 [0,2,0,0,0,0|2,0,0]=4 6483 B11R0.122 CCCC(=O)C(C)S(=O)(=O)CC 1458a_100011214461_100000210303 [0,2,0,0,0,0|2,0,0]=4 6484 B11R0.122 CCCC(=O)N(C)C(C)(C)CC 11a_200000755171_100000211992 [0,2,0,0,0,0|2,0,0]=4 6485 B11R0.122 CCCC(=O)N(C)C(C)(C)CC 1626a_200000755171_100000211992 [0,2,0,0,0,0|2,0,0]=4 6486 B11R0.122 CCCC(=O)N(C)C(C)(C)CC 240690a_200000755171_100000211992 [0,2,0,0,0,0|2,0,0]=4 6487 B11R0.122 CCCC(=O)N(C)C(C)(C)CC 527a_200000755171_100000211992 [0,2,0,0,0,0|2,0,0]=4 6488 B11R0.122 CCCC(C)C(=O)C(C)(C)CC 1458a_100000749717_100000766640 [0,2,0,0,0,0|1,0,0]=3 6489 B11R0.122 CCCC(C)C(=O)C(C)(C)CF 1458a_100000138116_100000766640 [0,2,0,0,0,0|2,0,0]=4 6490 B11R0.122 CCCC(C)C(=O)C(C)(C)CO 1458a_100000749806_100000766640 [0,2,0,0,0,0|2,0,0]=4 6491 B11R0.122 CCCC(C)C(=O)C(C)(C)OC 1458a_100000753492_100000766640 [0,2,0,0,0,0|2,0,0]=4 6492 B11R0.122 CCCC(C)C(=O)C(C)(O)CC 1458a_100011219770_100000766640 [0,2,0,0,0,0|1,0,0]=3 6493 B11R0.122 CCCC(C)C(=O)C(F)(F)CC 1458a_100000061896_100000766640 [0,2,0,0,0,0|1,0,0]=3 6494 B11R0.122 CCCN(C)C(=O)C(C)(C)CC 11a_100000747261_100000749717 [0,2,0,0,0,0|2,0,0]=4 6495 B11R0.122 CCCN(C)C(=O)C(C)(C)CC 1626a_100000747261_100000749717 [0,2,0,0,0,0|2,0,0]=4 6496 B11R0.122 CCCN(C)C(=O)C(C)(C)CC 240690a_100000747261_100000749717 [0,2,0,0,0,0|2,0,0]=4 6497 B11R0.122 CCCN(C)C(=O)C(C)(C)CC 527a_100000747261_100000749717 [0,2,0,0,0,0|2,0,0]=4 6498 B11R0.122 CCCN(C)C(=O)C(C)(O)CC 240690a_100000747261_100011219770 [0,2,0,0,0,0|2,0,0]=4 6499 B11R0.122 CCCN(C)C(=O)C(F)(F)CC 11a_100000747261_100000061896 [0,2,0,0,0,0|2,0,0]=4 6500 B11R0.122 CCCN(C)C(=O)C(F)(F)CC 1626a_100000747261_100000061896 [0,2,0,0,0,0|2,0,0]=4 6501 B11R0.122 CCCN(C)C(=O)C(F)(F)CC 240690a_100000747261_100000061896 [0,2,0,0,0,0|2,0,0]=4 6502 B11R0.122 CCCN(C)C(=O)C(F)(F)CC 527a_100000747261_100000061896 [0,2,0,0,0,0|2,0,0]=4 6503 B11R0.179 CCC(CC)C(=O)C(C)CCO 1458a_100000211163_100009893172 [0,2,0,0,0,0|2,0,0]=4 6504 B11R0.179 CCC(CC)C(=O)C(C)COC 1458a_100000211163_100000765312 [0,2,0,0,0,0|2,0,0]=4 6505 B11R0.179 CCC(CC)C(=O)C(C)COC 1458a_100000751857_100000210505 [0,2,0,0,0,0|2,0,0]=4 6506 B11R0.179 CCC(CC)C(=O)C(C)CSC 1458a_100000753918_100000210505 [0,2,0,0,0,0|2,0,0]=4 6507 B11R0.179 CCC(OC)C(=O)C(C)CCO 1458a_100000747056_100009893172 [0,2,0,0,0,0|2,0,0]=4 6508 B11R0.179 CCC(OC)C(=O)C(C)COC 1458a_100000747056_100000765312 [0,2,0,0,0,0|2,0,0]=4 6509 B11R0.179 CCCC(=O)N(C)C(CC)CC 11a_100000737045_100000211992 [0,2,0,0,0,0|2,0,0]=4 6510 B11R0.179 CCCC(=O)N(C)C(CC)CC 1626a_100000737045_100000211992 [0,2,0,0,0,0|2,0,0]=4 6511 B11R0.179 CCCC(=O)N(C)C(CC)CC 240690a_100000737045_100000211992 [0,2,0,0,0,0|2,0,0]=4 6512 B11R0.179 CCCC(=O)N(C)C(CC)CC 527a_100000737045_100000211992 [0,2,0,0,0,0|2,0,0]=4 6513 B11R0.179 CCCC(C)C(=O)C(CC)CC 1458a_100000210906_100000210505 [0,2,0,0,0,0|1,0,0]=3 6514 B11R0.179 CCCC(C)C(=O)C(CC)CC 1458a_100000211163_100000766640 [0,2,0,0,0,0|1,0,0]=3 6515 B11R0.179 CCCC(C)C(=O)C(CC)OC 1458a_100000747056_100000766640 [0,2,0,0,0,0|1,0,0]=3 6516 B11R0.179 CCCC(C)C(=O)C(OC)OC 1458a_100000046285_100000766640 [0,2,0,0,0,0|2,0,0]=4 6517 B11R0.179 CCCC(C)C(=O)N(CC)CC 11a_100000724800_100000210906 [0,2,0,0,0,0|2,0,0]=4 6518 B11R0.179 CCCC(C)C(=O)N(CC)CC 1626a_100000724800_100000210906 [0,2,0,0,0,0|2,0,0]=4 6519 B11R0.179 CCCC(C)C(=O)N(CC)CC 240690a_100000724800_100000210906 [0,2,0,0,0,0|2,0,0]=4 6520 B11R0.179 CCCC(C)C(=O)N(CC)CC 527a_100000724800_100000210906 [0,2,0,0,0,0|2,0,0]=4 6521 B11R0.179 CCCN(C)C(=O)C(CC)CC 11a_100000747261_100000211163 [0,2,0,0,0,0|2,0,0]=4 6522 B11R0.179 CCCN(C)C(=O)C(CC)CC 1626a_100000747261_100000211163 [0,2,0,0,0,0|2,0,0]=4 6523 B11R0.179 CCCN(C)C(=O)C(CC)CC 240690a_100000747261_100000211163 [0,2,0,0,0,0|2,0,0]=4 6524 B11R0.179 CCCN(C)C(=O)C(CC)CC 527a_100000747261_100000211163 [0,2,0,0,0,0|2,0,0]=4 6525 B11R0.179 CCCN(C)C(=O)C(CC)OC 11a_100000747261_100000747056 [0,2,0,0,0,0|2,0,0]=4 6526 B11R0.179 CCCN(C)C(=O)C(CC)OC 1626a_100000747261_100000747056 [0,2,0,0,0,0|2,0,0]=4 6527 B11R0.179 CCCN(C)C(=O)C(CC)OC 240690a_100000747261_100000747056 [0,2,0,0,0,0|2,0,0]=4 6528 B11R0.179 CCCN(C)C(=O)C(CC)OC 527a_100000747261_100000747056 [0,2,0,0,0,0|2,0,0]=4 6529 B11R0.179 CCC[C@H](O)C(=O)C(CC)CC 1458a_100009822183_100000210505 [0,2,0,0,0,0|0,0,0]=2 6530 B11R0.179 CCC[C@H](O)C(=O)N(CC)CC 240690a_100000724800_100009822183 [0,2,0,0,0,0|1,0,0]=3 6531 B11R0.179 CCOC(C)C(=O)C(CC)CC 1458a_100000739345_100000210505 [0,2,0,0,0,0|2,0,0]=4 6532 B11R0.179 CCSC(C)C(=O)C(CC)CC 1458a_100000230601_100000210505 [0,2,0,0,0,0|2,0,0]=4 6533 B11R0.242 CCOC(=O)C(C)(O)C(=O)CC 1458a_200009913003_100000210202 [0,2,0,0,0,0|1,0,1]=4 6534 B9R1.2 CCN1CCCC(C1)O 2230a_100000211013_100000210202 [1,0,0,1,0,0|1,0,1]=4 6535 B9R1.2 CCN1CCCC(C1)O 269982a_100000211013_100000204670 [1,0,0,1,0,0|1,0,1]=4 6536 B9R1.2 CCN1CCNC(=O)C1 2230a_100000184651_100000210202 [1,0,0,1,0,0|2,0,0]=4 6537 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [1,0,0,1,0,0|2,0,0]=4 6538 B9R1.2 CNC1CCCC(C1)O 2230a_100015190357_200000210301 [1,0,0,1,0,0|1,0,1]=4 6539 B9R1.2 CNC1CCCC(C1)O 270004a_106832991635_100012613340 [1,0,0,1,0,0|1,0,1]=4 6540 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [1,0,0,1,0,0|2,0,0]=4 6541 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [1,0,0,1,0,0|2,0,0]=4 6542 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [1,0,0,1,0,0|1,0,0]=3 6543 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [1,0,0,1,0,0|2,0,0]=4 6544 B9R1.2 [13CH3]NC1CCCC(C1)O 2230a_100015190357_200025704644 [1,0,0,1,0,0|1,0,1]=4 6545 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [1,0,0,1,0,0|2,0,0]=4 6546 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [1,0,0,1,0,0|2,0,0]=4 6547 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [1,0,0,1,0,0|1,0,0]=3 6548 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [1,0,0,1,0,0|2,0,0]=4 6549 B9R1.7 CCCN1CC[C@H](C1)C 2230a_100016987628_100000210303 [1,0,0,1,0,0|2,0,0]=4 6550 B9R1.7 CCCN1CC[C@H](C1)C 269982a_100016987628_100000210303 [1,0,0,1,0,0|2,0,0]=4 6551 B9R1.7 CCCN1CC[C@H](C1)C 34a_100016987628_100000210303 [1,0,0,1,0,0|2,0,0]=4 6552 B9R1.8 CCOC1CCCCO1 34a_100000033831_100000210202 [1,0,0,1,0,0|1,0,1]=4 6553 B9R1.8 CNCC1CCCCO1 2230a_100000174945_200000210301 [1,0,0,1,0,0|1,0,1]=4 6554 B9R1.8 CNCC1CCCCO1 2230a_106832991635_100000211543 [1,0,0,1,0,0|1,0,1]=4 6555 B9R1.8 CNCC1CCCCO1 34a_100000174945_200000210301 [1,0,0,1,0,0|1,0,1]=4 6556 B9R1.8 CNCC1CCCCO1 34a_100102657272_100000211543 [1,0,0,1,0,0|1,0,1]=4 6557 B9R1.8 CNCC1CCCCO1 7a_106832991635_100000211543 [1,0,0,1,0,0|1,0,1]=4 6558 B9R1.8 COCC1CCCCO1 34a_100000211370_200000210301 [1,0,0,1,0,0|1,0,1]=4 6559 B9R1.8 COCC1CCCCO1 34a_100138415774_100000211543 [1,0,0,1,0,0|1,0,1]=4 6560 B9R1.8 COCC1CCCCO1 7a_100000211370_200000210301 [1,0,0,1,0,0|1,0,1]=4 6561 B9R1.8 CSCC1CCCCO1 62a_100000211543_200000210301 [1,0,0,1,0,0|1,0,1]=4 6562 B9R1.8 CSCC1CCCCO1 62a_200000210301_100000211543 [1,0,0,1,0,0|1,0,1]=4 6563 B9R1.8 [13CH3]NCC1CCCCO1 2230a_100000174945_200025704644 [1,0,0,1,0,0|1,0,1]=4 6564 B9R1.8 [13CH3]NCC1CCCCO1 34a_100000174945_200025704644 [1,0,0,1,0,0|1,0,1]=4 6565 B9R1.8 [13CH3]OCC1CCCCO1 34a_100000211370_200025704644 [1,0,0,1,0,0|1,0,1]=4 6566 B9R1.8 [13CH3]OCC1CCCCO1 7a_100000211370_200025704644 [1,0,0,1,0,0|1,0,1]=4 6567 B9R1.8 [13CH3]SCC1CCCCO1 62a_100000211543_200025704644 [1,0,0,1,0,0|1,0,1]=4 6568 B9R1.8 [13CH3]SCC1CCCCO1 62a_200025704644_100000211543 [1,0,0,1,0,0|1,0,1]=4 6569 B9R1.9 CCCCN1CC(C1)C 2230a_100000702820_100000210211 [1,0,0,1,0,0|2,0,0]=4 6570 B9R1.9 CCCCN1CC(C1)C 269982a_100000702820_100000210211 [1,0,0,1,0,0|2,0,0]=4 6571 B9R1.9 CCCCN1CC(C1)C 34a_100000702820_100000210210 [1,0,0,1,0,0|2,0,0]=4 6572 B9R1.12 CCCCN1CCCC1 2230a_100000188435_100000210211 [1,0,0,1,0,0|2,0,0]=4 6573 B9R1.12 CCCCN1CCCC1 269982a_100000188435_100000210211 [1,0,0,1,0,0|2,0,0]=4 6574 B9R1.12 CCCNC1CCCC1 2230a_100000211070_100000210303 [1,0,0,1,0,0|2,0,0]=4 6575 B9R1.12 CCCNC1CCCC1 270004a_100020643023_100000210133 [1,0,0,1,0,0|2,0,0]=4 6576 B9R1.12 CCCNC1CCCC1 34a_100000211070_100000210303 [1,0,0,1,0,0|2,0,0]=4 6577 B9R1.12 CCCOC1CCCC1 34a_100000210258_100000179811 [1,0,0,1,0,0|2,0,0]=4 6578 B9R1.12 CCCOC1CCCC1 34a_100000210269_100000210303 [1,0,0,1,0,0|2,0,0]=4 6579 B9R1.12 CCCOC1CCCC1 7a_100000210269_100000210303 [1,0,0,1,0,0|2,0,0]=4 6580 B9R1.12 CCCOC1CCCO1 34a_100000085407_100000210303 [1,0,0,1,0,0|1,0,0]=3 6581 B9R1.12 CCCSC1CCCC1 62a_100000210303_100000179811 [1,0,0,1,0,0|2,0,0]=4 6582 B9R1.12 CCCSC1CCCC1 62a_100011217020_100000210303 [1,0,0,1,0,0|2,0,0]=4 6583 B9R1.12 CCNCC1CCCO1 2230a_100015525214_100000203698 [1,0,0,1,0,0|1,0,1]=4 6584 B9R1.12 CCNC[C@@H]1CCCO1 2230a_100020590478_100000210202 [1,0,0,1,0,0|1,0,1]=4 6585 B9R1.12 CCNC[C@@H]1CCCO1 34a_100020590478_100000210202 [1,0,0,1,0,0|1,0,1]=4 6586 B9R1.12 CCOCC1CCCO1 34a_100000210270_100000210202 [1,0,0,1,0,0|1,0,1]=4 6587 B9R1.12 CCOCC1CCCO1 7a_100000210270_100000210202 [1,0,0,1,0,0|1,0,1]=4 6588 B9R1.12 CCSCC1CCCO1 62a_100000203698_100000210202 [1,0,0,1,0,0|1,0,1]=4 6589 B9R1.12 CCSCC1CCCO1 62a_100000210202_100000203698 [1,0,0,1,0,0|1,0,1]=4 6590 B9R1.12 CSCOC1CCCO1 34a_100000085407_100011218213 [1,0,0,1,0,0|2,0,0]=4 6591 B9R1.12 FCCOC1CCCO1 34a_100000085407_100011217306 [1,0,0,1,0,0|2,0,0]=4 6592 B9R1.12 OCCOC1CCCO1 34a_100000085407_100000211926 [1,0,0,1,0,0|2,0,0]=4 6593 B9R1.15 CCC1CCCCN1C 2230a_100000210034_200000210301 [1,0,0,1,0,0|2,0,0]=4 6594 B9R1.15 CCC1CCCCN1C 269982a_100000210034_200000210301 [1,0,0,1,0,0|2,0,0]=4 6595 B9R1.15 CCC1CCCCN1C 34a_100000210034_200000210301 [1,0,0,1,0,0|2,0,0]=4 6596 B9R1.15 CCC1CCCCN1[13CH3] 2230a_100000210034_200025704644 [1,0,0,1,0,0|2,0,0]=4 6597 B9R1.15 CCC1CCCCN1[13CH3] 269982a_100000210034_200025704644 [1,0,0,1,0,0|2,0,0]=4 6598 B9R1.15 CCC1CCCCN1[13CH3] 34a_100000210034_200025704644 [1,0,0,1,0,0|2,0,0]=4 6599 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [1,0,0,1,0,0|1,0,0]=3 6600 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [1,0,0,1,0,0|1,0,0]=3 6601 B9R1.15 CNC1CCCCC1O 34a_100102657272_100000038908 [1,0,0,1,0,0|1,0,1]=4 6602 B9R1.15 CNC1CCCNC1=O 2230a_100000747585_200000210301 [1,0,0,1,0,0|2,0,0]=4 6603 B9R1.15 CNC1CCCNC1=O 2230a_106832991635_100000687798 [1,0,0,1,0,0|2,0,0]=4 6604 B9R1.15 CNC1CCCNC1=O 34a_100000747585_200000210301 [1,0,0,1,0,0|2,0,0]=4 6605 B9R1.15 CNC1CCCNC1=O 34a_100102657272_100000687798 [1,0,0,1,0,0|2,0,0]=4 6606 B9R1.15 CNC1CCCNC1=O 7a_106832991635_100000687798 [1,0,0,1,0,0|2,0,0]=4 6607 B9R1.15 CNC1COCCC1=O 34a_100102657272_100012180262 [1,0,0,1,0,0|2,0,0]=4 6608 B9R1.15 CNC1COCCC1=O 7a_106832991635_100012180262 [1,0,0,1,0,0|2,0,0]=4 6609 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [1,0,0,1,0,0|1,0,0]=3 6610 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [1,0,0,1,0,0|1,0,0]=3 6611 B9R1.15 COC1CCCCC1O 34a_100138415774_100000038908 [1,0,0,1,0,0|1,0,1]=4 6612 B9R1.15 COC1CCCNC1=O 34a_100000073722_200000210301 [1,0,0,1,0,0|2,0,0]=4 6613 B9R1.15 COC1CCCNC1=O 34a_100138415774_100000687798 [1,0,0,1,0,0|2,0,0]=4 6614 B9R1.15 COC1COCCC1=O 34a_100138415774_100012180262 [1,0,0,1,0,0|2,0,0]=4 6615 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [1,0,0,1,0,0|1,0,0]=3 6616 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [1,0,0,1,0,0|1,0,0]=3 6617 B9R1.15 CSC1CCCCC1O 62a_100000038908_200000210301 [1,0,0,1,0,0|1,0,1]=4 6618 B9R1.15 CSC1CCCCC1O 62a_200000210301_100000038908 [1,0,0,1,0,0|1,0,1]=4 6619 B9R1.15 CSC1CCCNC1=O 62a_100000687798_200000210301 [1,0,0,1,0,0|2,0,0]=4 6620 B9R1.15 CSC1CCCNC1=O 62a_200000210301_100000687798 [1,0,0,1,0,0|2,0,0]=4 6621 B9R1.15 CSC1COCCC1=O 62a_100012180262_200000210301 [1,0,0,1,0,0|2,0,0]=4 6622 B9R1.15 CSC1COCCC1=O 62a_200000210301_100012180262 [1,0,0,1,0,0|2,0,0]=4 6623 B9R1.15 [13CH3]NC1CCCNC1=O 2230a_100000747585_200025704644 [1,0,0,1,0,0|2,0,0]=4 6624 B9R1.15 [13CH3]NC1CCCNC1=O 34a_100000747585_200025704644 [1,0,0,1,0,0|2,0,0]=4 6625 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [1,0,0,1,0,0|1,0,0]=3 6626 B9R1.15 [13CH3]OC1CCCNC1=O 34a_100000073722_200025704644 [1,0,0,1,0,0|2,0,0]=4 6627 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [1,0,0,1,0,0|1,0,0]=3 6628 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [1,0,0,1,0,0|1,0,0]=3 6629 B9R1.15 [13CH3]SC1CCCCC1O 62a_100000038908_200025704644 [1,0,0,1,0,0|1,0,1]=4 6630 B9R1.15 [13CH3]SC1CCCCC1O 62a_200025704644_100000038908 [1,0,0,1,0,0|1,0,1]=4 6631 B9R1.15 [13CH3]SC1CCCNC1=O 62a_100000687798_200025704644 [1,0,0,1,0,0|2,0,0]=4 6632 B9R1.15 [13CH3]SC1CCCNC1=O 62a_200025704644_100000687798 [1,0,0,1,0,0|2,0,0]=4 6633 B9R1.15 [13CH3]SC1COCCC1=O 62a_100012180262_200025704644 [1,0,0,1,0,0|2,0,0]=4 6634 B9R1.15 [13CH3]SC1COCCC1=O 62a_200025704644_100012180262 [1,0,0,1,0,0|2,0,0]=4 6635 B9R1.33 CCCN1CCC[C@@H]1C 2230a_100020605311_100000210303 [1,0,0,1,0,0|2,0,0]=4 6636 B9R1.33 CCCN1CCC[C@@H]1C 269982a_100020605311_100000210303 [1,0,0,1,0,0|2,0,0]=4 6637 B9R1.33 CCCN1CCC[C@H]1C 2230a_100015189458_100000210303 [1,0,0,1,0,0|2,0,0]=4 6638 B9R1.33 CCCN1CCC[C@H]1C 269982a_100015189458_100000210303 [1,0,0,1,0,0|2,0,0]=4 6639 B9R1.33 CCCN1CCC[C@H]1C 34a_100015189458_100000210303 [1,0,0,1,0,0|2,0,0]=4 6640 B9R1.33 CCNC1CCCC1=O 2230a_100015525214_100000211823 [1,0,0,1,0,0|1,0,0]=3 6641 B9R1.33 CCNC1CCNC1=O 2230a_100016995588_100000210202 [1,0,0,1,0,0|2,0,0]=4 6642 B9R1.33 CCNC1CCNC1=O 34a_100016995588_100000210202 [1,0,0,1,0,0|2,0,0]=4 6643 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [1,0,0,1,0,0|2,0,0]=4 6644 B9R1.33 CCOC1CCCC1=O 34a_100121572206_100000709159 [1,0,0,1,0,0|1,0,0]=3 6645 B9R1.33 CCOC1CCCC1=O 34a_200000719330_100000210202 [1,0,0,1,0,0|1,0,0]=3 6646 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [1,0,0,1,0,0|2,0,0]=4 6647 B9R1.33 CCO[C@H]1CCNC1=O 34a_100000688343_100000210202 [1,0,0,1,0,0|2,0,0]=4 6648 B9R1.33 CCSC1CCCC1=O 62a_100000210202_100000211823 [1,0,0,1,0,0|1,0,0]=3 6649 B9R1.33 CCSC1CCCC1=O 62a_100000211823_100000210202 [1,0,0,1,0,0|1,0,0]=3 6650 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [1,0,0,1,0,0|2,0,0]=4 6651 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [1,0,0,1,0,0|2,0,0]=4 6652 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_100000210202_200016002552 [1,0,0,1,0,0|1,0,1]=4 6653 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210202 [1,0,0,1,0,0|1,0,1]=4 6654 B9R1.33 COCC1CCNC1=O 34a_100000133458_200000210301 [1,0,0,1,0,0|2,0,0]=4 6655 B9R1.33 CSCN1CCCC1=O 62a_100000026320_200000210301 [1,0,0,1,0,0|2,0,0]=4 6656 B9R1.33 CSCN1CCCC1=O 62a_200000210301_100000026320 [1,0,0,1,0,0|2,0,0]=4 6657 B9R1.33 O=C1CCCC1OCF 34a_200000719330_100015361967 [1,0,0,1,0,0|2,0,0]=4 6658 B9R1.33 O=C1CCCC1SCF 62a_100000211823_100015361967 [1,0,0,1,0,0|2,0,0]=4 6659 B9R1.33 O=C1CCCC1SCF 62a_100015361967_100000211823 [1,0,0,1,0,0|2,0,0]=4 6660 B9R1.33 [13CH3]OCC1CCNC1=O 34a_100000133458_200025704644 [1,0,0,1,0,0|2,0,0]=4 6661 B9R1.33 [13CH3]SCN1CCCC1=O 62a_100000026320_200025704644 [1,0,0,1,0,0|2,0,0]=4 6662 B9R1.33 [13CH3]SCN1CCCC1=O 62a_200025704644_100000026320 [1,0,0,1,0,0|2,0,0]=4 6663 B9R1.48 CN1CCCCC(C1)O 2230a_100025706797_200000210301 [1,0,0,1,0,0|1,0,1]=4 6664 B9R1.48 CN1CCCCC(C1)O 269982a_100025706797_200000210301 [1,0,0,1,0,0|1,0,1]=4 6665 B9R1.48 CN1CCCNC(=O)C1 2230a_100015190381_200000210301 [1,0,0,1,0,0|2,0,0]=4 6666 B9R1.48 [13CH3]N1CCCCC(C1)O 2230a_100025706797_200025704644 [1,0,0,1,0,0|1,0,1]=4 6667 B9R1.48 [13CH3]N1CCCCC(C1)O 269982a_100025706797_200025704644 [1,0,0,1,0,0|1,0,1]=4 6668 B9R1.48 [13CH3]N1CCCNC(=O)C1 2230a_100015190381_200025704644 [1,0,0,1,0,0|2,0,0]=4 6669 B9R1.49 CC1CCCN(CC1)C 2230a_100025706717_200000210301 [1,0,0,1,0,0|2,0,0]=4 6670 B9R1.49 CC1CCCN(CC1)C 269982a_100025706717_200000210301 [1,0,0,1,0,0|2,0,0]=4 6671 B9R1.49 CC1CCCN(CC1)C 34a_100025706717_200000210301 [1,0,0,1,0,0|2,0,0]=4 6672 B9R1.49 CC1CCCN(CC1)[13CH3] 2230a_100025706717_200025704644 [1,0,0,1,0,0|2,0,0]=4 6673 B9R1.49 CC1CCCN(CC1)[13CH3] 269982a_100025706717_200025704644 [1,0,0,1,0,0|2,0,0]=4 6674 B9R1.49 CC1CCCN(CC1)[13CH3] 34a_100025706717_200025704644 [1,0,0,1,0,0|2,0,0]=4 6675 B9R1.49 CN1CCCC(CC1)O 2230a_100015186869_200000210301 [1,0,0,1,0,0|1,0,1]=4 6676 B9R1.49 CN1CCCC(CC1)O 269982a_100015186869_200000210301 [1,0,0,1,0,0|1,0,1]=4 6677 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [1,0,0,1,0,0|2,0,0]=4 6678 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [1,0,0,1,0,0|2,0,0]=4 6679 B9R1.49 [13CH3]N1CCCC(CC1)O 2230a_100015186869_200025704644 [1,0,0,1,0,0|1,0,1]=4 6680 B9R1.49 [13CH3]N1CCCC(CC1)O 269982a_100015186869_200025704644 [1,0,0,1,0,0|1,0,1]=4 6681 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [1,0,0,1,0,0|2,0,0]=4 6682 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [1,0,0,1,0,0|2,0,0]=4 6683 B9R1.50 CN1CCCCCCC1 2230a_100000211400_200000210301 [1,0,0,1,0,0|2,0,0]=4 6684 B9R1.50 CN1CCCCCCC1 269982a_100000211400_200000210301 [1,0,0,1,0,0|2,0,0]=4 6685 B9R1.50 CN1CCCCCCC1 34a_100000211400_200000210301 [1,0,0,1,0,0|2,0,0]=4 6686 B9R1.50 [13CH3]N1CCCCCCC1 2230a_100000211400_200025704644 [1,0,0,1,0,0|2,0,0]=4 6687 B9R1.50 [13CH3]N1CCCCCCC1 269982a_100000211400_200025704644 [1,0,0,1,0,0|2,0,0]=4 6688 B9R1.50 [13CH3]N1CCCCCCC1 34a_100000211400_200025704644 [1,0,0,1,0,0|2,0,0]=4 6689 B9R1.58 CCCN1CC(C1)CC 2230a_100015205115_100000210303 [1,0,0,1,0,0|2,0,0]=4 6690 B9R1.58 CCCN1CC(C1)CC 269982a_100015205115_100000210303 [1,0,0,1,0,0|2,0,0]=4 6691 B9R1.73 C#CCC(=O)C1CCC1 1458a_100000209988_100000184674 [1,0,0,1,0,0|0,0,2]=4 6692 B9R1.73 C#CCC(=O)C1CCC1 1458a_100011220946_100000749161 [1,0,0,1,0,0|0,0,2]=4 6693 B9R1.73 C=CCC(=O)C1CCC1 1458a_100000209988_100000210623 [1,0,0,1,0,0|0,0,2]=4 6694 B9R1.73 C=CCC(=O)C1CCC1 1458a_100000210193_100000749161 [1,0,0,1,0,0|0,0,2]=4 6695 B9R1.73 CC#CC(=O)C1CCC1 1458a_100000763181_100000749161 [1,0,0,1,0,0|0,0,2]=4 6696 B9R1.73 CC=CC(=O)C1CCC1 1458a_100000210699_100000749161 [1,0,0,1,0,0|0,0,2]=4 6697 B9R1.73 CCCC(=O)C1CCC1 1458a_100000209988_100000210303 [1,0,0,1,0,0|0,0,0]=2 6698 B9R1.73 CCCC(=O)C1CCC1 1458a_100000211992_100000749161 [1,0,0,1,0,0|0,0,0]=2 6699 B9R1.73 CCCC(=O)C1CCO1 1458a_100000089072_100000210303 [1,0,0,1,0,0|1,0,0]=3 6700 B9R1.73 CCCC(=O)C1COC1 1458a_100000211992_100000687716 [1,0,0,1,0,0|1,0,0]=3 6701 B9R1.73 CCCC(=O)C1COC1 1458a_100000758290_100000210303 [1,0,0,1,0,0|1,0,0]=3 6702 B9R1.73 CCCC(=O)N1CCC1 11a_100000754969_100000211992 [1,0,0,1,0,0|1,0,0]=3 6703 B9R1.73 CCCC(=O)N1CCC1 240690a_100000754969_100000211992 [1,0,0,1,0,0|1,0,0]=3 6704 B9R1.73 CCCC(=O)N1CCC1 527a_100000754969_100000211992 [1,0,0,1,0,0|1,0,0]=3 6705 B9R1.73 CCCC(C)N1CCC1 269982a_100000754969_100000766640 [1,0,0,1,0,0|2,0,0]=4 6706 B9R1.73 CCCN(C)C1CCC1 2230a_100000758072_100000210303 [1,0,0,1,0,0|2,0,0]=4 6707 B9R1.73 CCCN(C)C1CCC1 269982a_100000747261_100000749161 [1,0,0,1,0,0|2,0,0]=4 6708 B9R1.73 CCCN(C)C1CCC1 269982a_100000758072_100000210303 [1,0,0,1,0,0|2,0,0]=4 6709 B9R1.73 CCCN(C)C1CCC1 270004a_100000747261_100000241760 [1,0,0,1,0,0|2,0,0]=4 6710 B9R1.73 CCCN(C)C1CCC1 34a_100000758072_100000210303 [1,0,0,1,0,0|2,0,0]=4 6711 B9R1.73 CCNC(=O)C1CCC1 11a_100015525214_100000209988 [1,0,0,1,0,0|1,0,0]=3 6712 B9R1.73 CCNC(=O)C1CCC1 240690a_100015525214_100000209988 [1,0,0,1,0,0|1,0,0]=3 6713 B9R1.73 CCNC(=O)C1CCC1 527a_100015525214_100000209988 [1,0,0,1,0,0|1,0,0]=3 6714 B9R1.73 CCNC(=O)C1CCO1 11a_100015525214_100000089072 [1,0,0,1,0,0|2,0,0]=4 6715 B9R1.73 CCNC(=O)C1CCO1 240690a_100015525214_100000089072 [1,0,0,1,0,0|2,0,0]=4 6716 B9R1.73 CCNC(=O)C1CCO1 527a_100015525214_100000089072 [1,0,0,1,0,0|2,0,0]=4 6717 B9R1.73 CCNC(=O)C1COC1 11a_100015525214_100000758290 [1,0,0,1,0,0|2,0,0]=4 6718 B9R1.73 CCNC(=O)C1COC1 240690a_100015525214_100000758290 [1,0,0,1,0,0|2,0,0]=4 6719 B9R1.73 CCNC(=O)C1COC1 527a_100015525214_100000758290 [1,0,0,1,0,0|2,0,0]=4 6720 B9R1.73 CCNC(=O)N1CCC1 2708a_100015525214_100000754969 [1,0,0,1,0,0|2,0,0]=4 6721 B9R1.73 CCNC(=O)N1CCC1 273464a_100015525214_100000754969 [1,0,0,1,0,0|2,0,0]=4 6722 B9R1.73 CNCC(=O)C1CCC1 2230a_106832991635_100000686122 [1,0,0,1,0,0|1,0,0]=3 6723 B9R1.73 CNCC(=O)C1CCC1 34a_100102657272_100000686122 [1,0,0,1,0,0|1,0,0]=3 6724 B9R1.73 CNCC(=O)C1CCC1 7a_106832991635_100000686122 [1,0,0,1,0,0|1,0,0]=3 6725 B9R1.73 CNCC(=O)N1CCC1 2230a_106832991635_100000185095 [1,0,0,1,0,0|2,0,0]=4 6726 B9R1.73 CNCC(=O)N1CCC1 34a_100102657272_100000185095 [1,0,0,1,0,0|2,0,0]=4 6727 B9R1.73 CNCC(=O)N1CCC1 7a_106832991635_100000185095 [1,0,0,1,0,0|2,0,0]=4 6728 B9R1.73 CNNC(=O)C1CCC1 22a_100016993582_100000209988 [1,0,0,1,0,0|2,0,0]=4 6729 B9R1.73 COCC(=O)C1CCC1 1458a_100000210968_100000749161 [1,0,0,1,0,0|1,0,0]=3 6730 B9R1.73 COCC(=O)C1CCC1 34a_100138415774_100000686122 [1,0,0,1,0,0|1,0,0]=3 6731 B9R1.73 COCC(=O)C1COC1 1458a_100000210968_100000687716 [1,0,0,1,0,0|2,0,0]=4 6732 B9R1.73 COCC(=O)N1CCC1 11a_100000754969_100000210968 [1,0,0,1,0,0|2,0,0]=4 6733 B9R1.73 COCC(=O)N1CCC1 240690a_100000754969_100000210968 [1,0,0,1,0,0|2,0,0]=4 6734 B9R1.73 COCC(=O)N1CCC1 34a_100138415774_100000185095 [1,0,0,1,0,0|2,0,0]=4 6735 B9R1.73 COCC(=O)N1CCC1 527a_100000754969_100000210968 [1,0,0,1,0,0|2,0,0]=4 6736 B9R1.73 CSCC(=O)C1CCC1 1458a_100000184570_100000749161 [1,0,0,1,0,0|1,0,0]=3 6737 B9R1.73 CSCC(=O)C1CCC1 62a_100000686122_200000210301 [1,0,0,1,0,0|1,0,0]=3 6738 B9R1.73 CSCC(=O)C1CCC1 62a_200000210301_100000686122 [1,0,0,1,0,0|1,0,0]=3 6739 B9R1.73 CSCC(=O)C1COC1 1458a_100000184570_100000687716 [1,0,0,1,0,0|2,0,0]=4 6740 B9R1.73 CSCC(=O)N1CCC1 11a_100000754969_100000184570 [1,0,0,1,0,0|2,0,0]=4 6741 B9R1.73 CSCC(=O)N1CCC1 240690a_100000754969_100000184570 [1,0,0,1,0,0|2,0,0]=4 6742 B9R1.73 CSCC(=O)N1CCC1 527a_100000754969_100000184570 [1,0,0,1,0,0|2,0,0]=4 6743 B9R1.73 CSCC(=O)N1CCC1 62a_100000185095_200000210301 [1,0,0,1,0,0|2,0,0]=4 6744 B9R1.73 CSCC(=O)N1CCC1 62a_200000210301_100000185095 [1,0,0,1,0,0|2,0,0]=4 6745 B9R1.73 N#CCC(=O)C1CCC1 1458a_100000209988_100011214920 [1,0,0,1,0,0|1,0,1]=4 6746 B9R1.73 N#CCC(=O)C1CCC1 1458a_100051588842_100000749161 [1,0,0,1,0,0|1,0,1]=4 6747 B9R1.73 O=C(CCF)C1CCC1 1458a_100000209988_100011217306 [1,0,0,1,0,0|1,0,0]=3 6748 B9R1.73 O=C(CCF)C1CCO1 1458a_100000089072_100011217306 [1,0,0,1,0,0|2,0,0]=4 6749 B9R1.73 O=C(CCF)C1COC1 1458a_100000758290_100011217306 [1,0,0,1,0,0|2,0,0]=4 6750 B9R1.73 O=C(CCO)C1CCC1 1458a_100000209988_100000211926 [1,0,0,1,0,0|1,0,0]=3 6751 B9R1.73 O=C(CCO)C1CCC1 1458a_100011216618_100000749161 [1,0,0,1,0,0|1,0,0]=3 6752 B9R1.73 O=C(CCO)C1CCO1 1458a_100000089072_100000211926 [1,0,0,1,0,0|2,0,0]=4 6753 B9R1.73 O=C(CCO)C1COC1 1458a_100000758290_100000211926 [1,0,0,1,0,0|2,0,0]=4 6754 B9R1.73 O=C(CCO)C1COC1 1458a_100011216618_100000687716 [1,0,0,1,0,0|2,0,0]=4 6755 B9R1.73 O=C(CCO)N1CCC1 240690a_100000754969_100011216618 [1,0,0,1,0,0|2,0,0]=4 6756 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_100000686122_200025704644 [1,0,0,1,0,0|1,0,0]=3 6757 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_200025704644_100000686122 [1,0,0,1,0,0|1,0,0]=3 6758 B9R1.73 [13CH3]SCC(=O)N1CCC1 62a_100000185095_200025704644 [1,0,0,1,0,0|2,0,0]=4 6759 B9R1.73 [13CH3]SCC(=O)N1CCC1 62a_200025704644_100000185095 [1,0,0,1,0,0|2,0,0]=4 6760 B9R1.75 C#CCC(=O)CC1CC1 1458a_100000738066_100000184674 [1,0,0,1,0,0|0,0,2]=4 6761 B9R1.75 C#CCC(=O)CC1CC1 1458a_100011220946_100000742324 [1,0,0,1,0,0|0,0,2]=4 6762 B9R1.75 C=CCC(=O)CC1CC1 1458a_100000210193_100000742324 [1,0,0,1,0,0|0,0,2]=4 6763 B9R1.75 C=CCC(=O)CC1CC1 1458a_100000738066_100000210623 [1,0,0,1,0,0|0,0,2]=4 6764 B9R1.75 CC#CC(=O)CC1CC1 1458a_100000763181_100000742324 [1,0,0,1,0,0|0,0,2]=4 6765 B9R1.75 CC=CC(=O)CC1CC1 1458a_100000210699_100000742324 [1,0,0,1,0,0|0,0,2]=4 6766 B9R1.75 CCCC(=O)CC1CC1 1458a_100000211992_100000742324 [1,0,0,1,0,0|0,0,0]=2 6767 B9R1.75 CCCC(=O)CC1CC1 1458a_100000738066_100000210303 [1,0,0,1,0,0|0,0,0]=2 6768 B9R1.75 CCCC(=O)CC1CO1 1458a_100000211992_100011216344 [1,0,0,1,0,0|1,0,0]=3 6769 B9R1.75 CCCC(=O)CC1CS1 1458a_100000211992_100000031435 [1,0,0,1,0,0|1,0,0]=3 6770 B9R1.75 CCCC(=O)C[C@@H]1CO1 1458a_100000211992_100000745022 [1,0,0,1,0,0|1,0,0]=3 6771 B9R1.75 CCCC(=O)NC1CC1 1626a_100000212008_100000211992 [1,0,0,1,0,0|1,0,0]=3 6772 B9R1.75 CCCC(=O)NC1CC1 240690a_100000212008_100000211992 [1,0,0,1,0,0|1,0,0]=3 6773 B9R1.75 CCCC(=O)NC1CC1 527a_100000212008_100000211992 [1,0,0,1,0,0|1,0,0]=3 6774 B9R1.75 CCCC(C)NC1CC1 34a_100000212008_100000766640 [1,0,0,1,0,0|2,0,0]=4 6775 B9R1.75 CCCC(C)OC1CC1 34a_100000764384_100000211595 [1,0,0,1,0,0|2,0,0]=4 6776 B9R1.75 CCCC(C)SC1CC1 62a_100000766640_100000211595 [1,0,0,1,0,0|2,0,0]=4 6777 B9R1.75 CCCN(C)CC1CC1 2230a_100000210729_200000210301 [1,0,0,1,0,0|2,0,0]=4 6778 B9R1.75 CCCN(C)CC1CC1 2230a_100000741881_100000210303 [1,0,0,1,0,0|2,0,0]=4 6779 B9R1.75 CCCN(C)CC1CC1 2230a_100000747261_100000742324 [1,0,0,1,0,0|2,0,0]=4 6780 B9R1.75 CCCN(C)CC1CC1 269982a_100000210729_200000210301 [1,0,0,1,0,0|2,0,0]=4 6781 B9R1.75 CCCN(C)CC1CC1 269982a_100000741881_100000210303 [1,0,0,1,0,0|2,0,0]=4 6782 B9R1.75 CCCN(C)CC1CC1 269982a_100000747261_100000756562 [1,0,0,1,0,0|2,0,0]=4 6783 B9R1.75 CCCN(C)CC1CC1 34a_100000210729_200000210301 [1,0,0,1,0,0|2,0,0]=4 6784 B9R1.75 CCCN([13CH3])CC1CC1 2230a_100000210729_200025704644 [1,0,0,1,0,0|2,0,0]=4 6785 B9R1.75 CCCN([13CH3])CC1CC1 269982a_100000210729_200025704644 [1,0,0,1,0,0|2,0,0]=4 6786 B9R1.75 CCCN([13CH3])CC1CC1 34a_100000210729_200025704644 [1,0,0,1,0,0|2,0,0]=4 6787 B9R1.75 CCNC(=O)CC1CC1 11a_100015525214_100000738066 [1,0,0,1,0,0|1,0,0]=3 6788 B9R1.75 CCNC(=O)CC1CC1 240690a_100015525214_100000738066 [1,0,0,1,0,0|1,0,0]=3 6789 B9R1.75 CCNC(=O)CC1CC1 527a_100015525214_100000738066 [1,0,0,1,0,0|1,0,0]=3 6790 B9R1.75 CCNC(=O)NC1CC1 2708a_100000212008_100015525214 [1,0,0,1,0,0|2,0,0]=4 6791 B9R1.75 CCNC(=O)NC1CC1 2708a_100015525214_100000212008 [1,0,0,1,0,0|2,0,0]=4 6792 B9R1.75 CCNC(=O)NC1CC1 273464a_100000212008_100015525214 [1,0,0,1,0,0|2,0,0]=4 6793 B9R1.75 CCNC(=O)NC1CC1 273464a_100015525214_100000212008 [1,0,0,1,0,0|2,0,0]=4 6794 B9R1.75 CCNC(=O)NC1CC1 512a_100000212008_100015525214 [1,0,0,1,0,0|2,0,0]=4 6795 B9R1.75 CNCC(=O)NC1CC1 2230a_100000702991_200000210301 [1,0,0,1,0,0|2,0,0]=4 6796 B9R1.75 CNCC(=O)NC1CC1 2230a_106832991635_100000182950 [1,0,0,1,0,0|2,0,0]=4 6797 B9R1.75 CNCC(=O)NC1CC1 34a_100102657272_100000182950 [1,0,0,1,0,0|2,0,0]=4 6798 B9R1.75 CNCC(=O)NC1CC1 7a_106832991635_100000182950 [1,0,0,1,0,0|2,0,0]=4 6799 B9R1.75 CNNC(=O)CC1CC1 22a_100016993582_100000738066 [1,0,0,1,0,0|2,0,0]=4 6800 B9R1.75 COCC(=O)CC1CC1 1458a_100000210968_100000742324 [1,0,0,1,0,0|1,0,0]=3 6801 B9R1.75 COCC(=O)CC1CO1 1458a_100000210968_100011216344 [1,0,0,1,0,0|2,0,0]=4 6802 B9R1.75 COCC(=O)CC1CS1 1458a_100000210968_100000031435 [1,0,0,1,0,0|2,0,0]=4 6803 B9R1.75 COCC(=O)C[C@@H]1CO1 1458a_100000210968_100000745022 [1,0,0,1,0,0|2,0,0]=4 6804 B9R1.75 COCC(=O)NC1CC1 1626a_100000212008_100000210968 [1,0,0,1,0,0|2,0,0]=4 6805 B9R1.75 COCC(=O)NC1CC1 240690a_100000212008_100000210968 [1,0,0,1,0,0|2,0,0]=4 6806 B9R1.75 COCC(=O)NC1CC1 34a_100138415774_100000182950 [1,0,0,1,0,0|2,0,0]=4 6807 B9R1.75 COCC(=O)NC1CC1 527a_100000212008_100000210968 [1,0,0,1,0,0|2,0,0]=4 6808 B9R1.75 CSCC(=O)CC1CC1 1458a_100000184570_100000742324 [1,0,0,1,0,0|1,0,0]=3 6809 B9R1.75 CSCC(=O)CC1CO1 1458a_100000184570_100011216344 [1,0,0,1,0,0|2,0,0]=4 6810 B9R1.75 CSCC(=O)CC1CS1 1458a_100000184570_100000031435 [1,0,0,1,0,0|2,0,0]=4 6811 B9R1.75 CSCC(=O)C[C@@H]1CO1 1458a_100000184570_100000745022 [1,0,0,1,0,0|2,0,0]=4 6812 B9R1.75 CSCC(=O)NC1CC1 1626a_100000212008_100000184570 [1,0,0,1,0,0|2,0,0]=4 6813 B9R1.75 CSCC(=O)NC1CC1 240690a_100000212008_100000184570 [1,0,0,1,0,0|2,0,0]=4 6814 B9R1.75 CSCC(=O)NC1CC1 527a_100000212008_100000184570 [1,0,0,1,0,0|2,0,0]=4 6815 B9R1.75 CSCC(=O)NC1CC1 62a_100000182950_200000210301 [1,0,0,1,0,0|2,0,0]=4 6816 B9R1.75 CSCC(=O)NC1CC1 62a_200000210301_100000182950 [1,0,0,1,0,0|2,0,0]=4 6817 B9R1.75 N#CCC(=O)CC1CC1 1458a_100000738066_100011214920 [1,0,0,1,0,0|1,0,1]=4 6818 B9R1.75 N#CCC(=O)CC1CC1 1458a_100051588842_100000742324 [1,0,0,1,0,0|1,0,1]=4 6819 B9R1.75 O=C(CCF)CC1CC1 1458a_100000738066_100011217306 [1,0,0,1,0,0|1,0,0]=3 6820 B9R1.75 O=C(CCO)CC1CC1 1458a_100000738066_100000211926 [1,0,0,1,0,0|1,0,0]=3 6821 B9R1.75 O=C(CCO)CC1CC1 1458a_100011216618_100000742324 [1,0,0,1,0,0|1,0,0]=3 6822 B9R1.75 O=C(CCO)CC1CO1 1458a_100011216618_100011216344 [1,0,0,1,0,0|2,0,0]=4 6823 B9R1.75 O=C(CCO)CC1CS1 1458a_100011216618_100000031435 [1,0,0,1,0,0|2,0,0]=4 6824 B9R1.75 O=C(CCO)C[C@@H]1CO1 1458a_100011216618_100000745022 [1,0,0,1,0,0|2,0,0]=4 6825 B9R1.75 O=C(CCO)NC1CC1 240690a_100000212008_100011216618 [1,0,0,1,0,0|2,0,0]=4 6826 B9R1.75 [13CH3]NCC(=O)NC1CC1 2230a_100000702991_200025704644 [1,0,0,1,0,0|2,0,0]=4 6827 B9R1.75 [13CH3]SCC(=O)NC1CC1 62a_100000182950_200025704644 [1,0,0,1,0,0|2,0,0]=4 6828 B9R1.75 [13CH3]SCC(=O)NC1CC1 62a_200025704644_100000182950 [1,0,0,1,0,0|2,0,0]=4 6829 B9R1.100 C#CCCC(=O)C1CC1 1458a_100000210395_100000753159 [1,0,0,1,0,0|0,0,2]=4 6830 B9R1.100 C/C=C/CC(=O)C1CC1 1458a_100000210395_100102629194 [1,0,0,1,0,0|0,0,2]=4 6831 B9R1.100 C=CCCC(=O)C1CC1 1458a_100000210395_100000754431 [1,0,0,1,0,0|0,0,2]=4 6832 B9R1.100 CC#CCC(=O)C1CC1 1458a_100000210395_100000748600 [1,0,0,1,0,0|0,0,2]=4 6833 B9R1.100 CC=CCC(=O)C1CC1 1458a_100000210395_100000070051 [1,0,0,1,0,0|0,0,2]=4 6834 B9R1.100 CCCCC(=O)C1CC1 1458a_100000210395_100000210211 [1,0,0,1,0,0|0,0,0]=2 6835 B9R1.100 CCCCC(=O)C1CO1 1458a_100000701028_100000210211 [1,0,0,1,0,0|1,0,0]=3 6836 B9R1.100 CCCCN(C)C1CC1 2230a_100000226674_100000210211 [1,0,0,1,0,0|2,0,0]=4 6837 B9R1.100 CCCCN(C)C1CC1 269982a_100000207549_100000211595 [1,0,0,1,0,0|2,0,0]=4 6838 B9R1.100 CCCCN(C)C1CC1 269982a_100000226674_100000210211 [1,0,0,1,0,0|2,0,0]=4 6839 B9R1.100 CCCNC(=O)C1CC1 11a_100020643023_100000210395 [1,0,0,1,0,0|1,0,0]=3 6840 B9R1.100 CCCNC(=O)C1CC1 1626a_100020643023_100000210395 [1,0,0,1,0,0|1,0,0]=3 6841 B9R1.100 CCCNC(=O)C1CC1 240690a_100020643023_100000210395 [1,0,0,1,0,0|1,0,0]=3 6842 B9R1.100 CCCNC(=O)C1CC1 527a_100020643023_100000210395 [1,0,0,1,0,0|1,0,0]=3 6843 B9R1.100 CCCNC(=O)C1CO1 11a_100020643023_100000701028 [1,0,0,1,0,0|2,0,0]=4 6844 B9R1.100 CCCNC(=O)C1CO1 1626a_100020643023_100000701028 [1,0,0,1,0,0|2,0,0]=4 6845 B9R1.100 CCCNC(=O)C1CO1 240690a_100020643023_100000701028 [1,0,0,1,0,0|2,0,0]=4 6846 B9R1.100 CCCNC(=O)C1CO1 527a_100020643023_100000701028 [1,0,0,1,0,0|2,0,0]=4 6847 B9R1.100 CCCNC(C)C1CC1 2230a_100000700016_100000210303 [1,0,0,1,0,0|2,0,0]=4 6848 B9R1.100 CCCNC(C)C1CC1 269862a_100020643023_100000210639 [1,0,0,1,0,0|2,0,0]=4 6849 B9R1.100 CCCNC(C)C1CC1 34a_100000700016_100000210303 [1,0,0,1,0,0|2,0,0]=4 6850 B9R1.100 CCCOC(C)C1CC1 34a_100000744524_100000210303 [1,0,0,1,0,0|2,0,0]=4 6851 B9R1.100 CCCOC(C)C1CC1 7a_100000744524_100000210303 [1,0,0,1,0,0|2,0,0]=4 6852 B9R1.100 CCNCC(=O)C1CC1 2230a_100015525214_100000746382 [1,0,0,1,0,0|1,0,0]=3 6853 B9R1.100 CCNCC(O)C1CC1 2230a_100000751198_100000210202 [1,0,0,1,0,0|1,0,1]=4 6854 B9R1.100 CCNCC(O)C1CC1 34a_100000751198_100000210202 [1,0,0,1,0,0|1,0,1]=4 6855 B9R1.100 CCNNC(=O)C1CC1 22a_100000756455_100000210395 [1,0,0,1,0,0|2,0,0]=4 6856 B9R1.100 CCOCC(=O)C1CC1 34a_100000686663_100000210202 [1,0,0,1,0,0|1,0,0]=3 6857 B9R1.100 CCOCC(=O)C1CC1 34a_100121572206_100000746382 [1,0,0,1,0,0|1,0,0]=3 6858 B9R1.100 CCSCC(=O)C1CC1 62a_100000210202_100000746382 [1,0,0,1,0,0|1,0,0]=3 6859 B9R1.100 CCSCC(=O)C1CC1 62a_100000746382_100000210202 [1,0,0,1,0,0|1,0,0]=3 6860 B9R1.100 CNCOC(=O)C1CC1 2230a_106832991635_100000140896 [1,0,0,1,0,0|2,0,0]=4 6861 B9R1.100 CNCOC(=O)C1CC1 34a_100102657272_100000140896 [1,0,0,1,0,0|2,0,0]=4 6862 B9R1.100 COCCC(=O)C1CC1 1458a_100000210395_100000233755 [1,0,0,1,0,0|1,0,0]=3 6863 B9R1.100 COCCC(=O)C1CO1 1458a_100000701028_100000233755 [1,0,0,1,0,0|2,0,0]=4 6864 B9R1.100 COCOC(=O)C1CC1 34a_100138415774_100000140896 [1,0,0,1,0,0|2,0,0]=4 6865 B9R1.100 CSCCC(=O)C1CC1 1458a_100000210395_100000751147 [1,0,0,1,0,0|1,0,0]=3 6866 B9R1.100 CSCCC(=O)C1CO1 1458a_100000701028_100000751147 [1,0,0,1,0,0|2,0,0]=4 6867 B9R1.100 CSCOC(=O)C1CC1 62a_100000140896_200000210301 [1,0,0,1,0,0|2,0,0]=4 6868 B9R1.100 CSCOC(=O)C1CC1 62a_200000210301_100000140896 [1,0,0,1,0,0|2,0,0]=4 6869 B9R1.100 N#CCCC(=O)C1CC1 1458a_100000210395_100011215226 [1,0,0,1,0,0|1,0,1]=4 6870 B9R1.100 O=C(CCCF)C1CC1 1458a_100000210395_100011934791 [1,0,0,1,0,0|1,0,0]=3 6871 B9R1.100 O=C(CCCF)C1CO1 1458a_100000701028_100011934791 [1,0,0,1,0,0|2,0,0]=4 6872 B9R1.100 O=C(CCCO)C1CC1 1458a_100000210395_100011215043 [1,0,0,1,0,0|1,0,0]=3 6873 B9R1.100 O=C(CCCO)C1CO1 1458a_100000701028_100011215043 [1,0,0,1,0,0|2,0,0]=4 6874 B9R1.100 O=C(COCF)C1CC1 34a_100000686663_100015361967 [1,0,0,1,0,0|2,0,0]=4 6875 B9R1.100 O=C(CSCF)C1CC1 62a_100000746382_100015361967 [1,0,0,1,0,0|2,0,0]=4 6876 B9R1.100 O=C(CSCF)C1CC1 62a_100015361967_100000746382 [1,0,0,1,0,0|2,0,0]=4 6877 B9R1.100 O=C(NCCF)C1CC1 11a_100000724931_100000210395 [1,0,0,1,0,0|2,0,0]=4 6878 B9R1.100 O=C(NCCF)C1CC1 1626a_100000724931_100000210395 [1,0,0,1,0,0|2,0,0]=4 6879 B9R1.100 O=C(NCCF)C1CC1 240690a_100000724931_100000210395 [1,0,0,1,0,0|2,0,0]=4 6880 B9R1.100 O=C(NCCF)C1CC1 527a_100000724931_100000210395 [1,0,0,1,0,0|2,0,0]=4 6881 B9R1.100 O=C(NCCO)C1CC1 240690a_100000210304_100000210395 [1,0,0,1,0,0|2,0,0]=4 6882 B9R1.100 O=C(NCCO)C1CC1 527a_100000210304_100000210395 [1,0,0,1,0,0|2,0,0]=4 6883 B9R1.100 [13CH3]SCOC(=O)C1CC1 62a_100000140896_200025704644 [1,0,0,1,0,0|2,0,0]=4 6884 B9R1.100 [13CH3]SCOC(=O)C1CC1 62a_200025704644_100000140896 [1,0,0,1,0,0|2,0,0]=4 6885 B9R1.117 CCCNC1(CCC1)C 2230a_100000692455_100000210303 [1,0,0,1,0,0|2,0,0]=4 6886 B9R1.117 CCCNC1(CCC1)C 34a_100000692455_100000210303 [1,0,0,1,0,0|2,0,0]=4 6887 B9R1.117 CCCOC1(CCC1)C 34a_100000759064_100000210303 [1,0,0,1,0,0|2,0,0]=4 6888 B9R1.117 CCCOC1(CCC1)C 7a_100000759064_100000210303 [1,0,0,1,0,0|2,0,0]=4 6889 B9R1.117 CCNCC1(CCC1)O 2230a_100000752638_100000210202 [1,0,0,1,0,0|1,0,1]=4 6890 B9R1.134 CNCC1(CCCC1)O 2230a_100000737848_200000210301 [1,0,0,1,0,0|1,0,1]=4 6891 B9R1.134 [13CH3]NCC1(CCCC1)O 2230a_100000737848_200025704644 [1,0,0,1,0,0|1,0,1]=4 6892 B9R1.183 C#CCC(=O)C1CC1C 1458a_100000211227_100000184674 [1,0,0,1,0,0|0,0,2]=4 6893 B9R1.183 C=CCC(=O)C1CC1C 1458a_100000211227_100000210623 [1,0,0,1,0,0|0,0,2]=4 6894 B9R1.183 CC1CC1C(=O)CC#N 1458a_100000211227_100011214920 [1,0,0,1,0,0|1,0,1]=4 6895 B9R1.183 CC1CC1C(=O)CCF 1458a_100000211227_100011217306 [1,0,0,1,0,0|1,0,0]=3 6896 B9R1.183 CC1CC1C(=O)CCO 1458a_100000211227_100000211926 [1,0,0,1,0,0|1,0,0]=3 6897 B9R1.183 CCCC(=O)C1CC1C 1458a_100000211227_100000210303 [1,0,0,1,0,0|0,0,0]=2 6898 B9R1.183 CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210303 [1,0,0,1,0,0|1,0,0]=3 6899 B9R1.183 CCNC(=O)C1CC1C 11a_100015525214_100000211227 [1,0,0,1,0,0|1,0,0]=3 6900 B9R1.183 CCNC(=O)C1CC1C 527a_100015525214_100000211227 [1,0,0,1,0,0|1,0,0]=3 6901 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 11a_100015525214_100015396687 [1,0,0,1,0,0|2,0,0]=4 6902 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 240690a_100015525214_100015396687 [1,0,0,1,0,0|2,0,0]=4 6903 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 527a_100015525214_100015396687 [1,0,0,1,0,0|2,0,0]=4 6904 B9R1.183 CNNC(=O)C1CC1C 22a_100016993582_100000211227 [1,0,0,1,0,0|2,0,0]=4 6905 B9R1.183 O=C(CCF)[C@@H]1C[C@@H]1F 1458a_100015396687_100011217306 [1,0,0,1,0,0|2,0,0]=4 6906 B9R1.183 O=C(CCO)[C@@H]1C[C@@H]1F 1458a_100015396687_100000211926 [1,0,0,1,0,0|2,0,0]=4 6907 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [1,0,0,1,0,0|1,0,1]=4 6908 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [1,0,0,1,0,0|1,0,0]=3 6909 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [1,0,0,1,0,0|1,0,0]=3 6910 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [1,0,0,1,0,0|0,1,0]=3 6911 B9R1.11 CCC(=O)C1CCOC1 1458a_100000210414_100000690089 [1,0,0,1,0,0|2,0,0]=4 6912 B9R1.11 CCC(=O)C1CCOC1 1458a_100011219752_100000210202 [1,0,0,1,0,0|2,0,0]=4 6913 B9R1.11 CCC(=O)N1CCCC1 240690a_100000188435_100000210414 [1,0,0,1,0,0|2,0,0]=4 6914 B9R1.11 CCC(=O)N1CCCC1 527a_100000188435_100000210414 [1,0,0,1,0,0|2,0,0]=4 6915 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [1,0,0,1,0,0|0,0,0]=2 6916 B9R1.11 CNC(=O)C1CCCC1 11a_106832991635_100000210718 [1,0,0,1,0,0|2,0,0]=4 6917 B9R1.11 CNC(=O)C1CCCC1 1626a_100102657272_100000210718 [1,0,0,1,0,0|2,0,0]=4 6918 B9R1.11 CNC(=O)C1CCCC1 240690a_100102657272_100000210718 [1,0,0,1,0,0|2,0,0]=4 6919 B9R1.11 CNC(=O)C1CCCC1 527a_100102657272_100000210718 [1,0,0,1,0,0|2,0,0]=4 6920 B9R1.11 CNC(=O)C1CCCS1 11a_106832991635_100012002731 [1,0,0,1,0,0|1,1,0]=4 6921 B9R1.11 CNC(=O)C1CCCS1 1626a_100102657272_100012002731 [1,0,0,1,0,0|1,1,0]=4 6922 B9R1.11 CNC(=O)C1CCCS1 240690a_100102657272_100012002731 [1,0,0,1,0,0|1,1,0]=4 6923 B9R1.11 CNC(=O)C1CCCS1 527a_100102657272_100012002731 [1,0,0,1,0,0|1,1,0]=4 6924 B9R1.11 CNC(=O)[C@@H]1CCCO1 11a_106832991635_100000686382 [1,0,0,1,0,0|1,0,0]=3 6925 B9R1.11 CNC(=O)[C@@H]1CCCO1 1626a_100102657272_100000686382 [1,0,0,1,0,0|1,0,0]=3 6926 B9R1.11 CNC(=O)[C@@H]1CCCO1 240690a_100102657272_100000686382 [1,0,0,1,0,0|1,0,0]=3 6927 B9R1.11 CNC(=O)[C@@H]1CCCO1 527a_100102657272_100000686382 [1,0,0,1,0,0|1,0,0]=3 6928 B9R1.11 O=C(CF)C1CCCC1 1458a_100000210718_100015361967 [1,0,0,1,0,0|2,0,0]=4 6929 B9R1.11 O=C(CF)C1CCCS1 1458a_100012002731_100015361967 [1,0,0,1,0,0|1,1,0]=4 6930 B9R1.11 O=C(CF)[C@@H]1CCCO1 1458a_100000686382_100015361967 [1,0,0,1,0,0|1,0,0]=3 6931 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [1,0,0,1,0,0|2,0,0]=4 6932 B9R1.74 C#CCC(=O)C1(CC1)O 1458a_100000241761_100000184674 [1,0,0,1,0,0|0,0,2]=4 6933 B9R1.74 C=CCC(=O)C1(CC1)O 1458a_100000241761_100000210623 [1,0,0,1,0,0|0,0,2]=4 6934 B9R1.74 CC1(CC1)C(=O)CCF 1458a_100000756474_100011217306 [1,0,0,1,0,0|2,0,0]=4 6935 B9R1.74 CC1(CC1)C(=O)CCO 1458a_100000756474_100000211926 [1,0,0,1,0,0|2,0,0]=4 6936 B9R1.74 CCCC(=O)C1(CC1)C 1458a_100000756474_100000210303 [1,0,0,1,0,0|1,0,0]=3 6937 B9R1.74 CCCC(=O)C1(CC1)F 1458a_100000055089_100000210303 [1,0,0,1,0,0|1,0,0]=3 6938 B9R1.74 CCCC(=O)C1(CC1)O 1458a_100000241761_100000210303 [1,0,0,1,0,0|0,0,0]=2 6939 B9R1.74 CCNC(=O)C1(CC1)C 11a_100015525214_100000756474 [1,0,0,1,0,0|2,0,0]=4 6940 B9R1.74 CCNC(=O)C1(CC1)C 240690a_100015525214_100000756474 [1,0,0,1,0,0|2,0,0]=4 6941 B9R1.74 CCNC(=O)C1(CC1)C 527a_100015525214_100000756474 [1,0,0,1,0,0|2,0,0]=4 6942 B9R1.74 CCNC(=O)C1(CC1)F 11a_100015525214_100000055089 [1,0,0,1,0,0|2,0,0]=4 6943 B9R1.74 CCNC(=O)C1(CC1)F 240690a_100015525214_100000055089 [1,0,0,1,0,0|2,0,0]=4 6944 B9R1.74 CCNC(=O)C1(CC1)F 527a_100015525214_100000055089 [1,0,0,1,0,0|2,0,0]=4 6945 B9R1.74 CCNC(=O)C1(CC1)O 240690a_100015525214_100000241761 [1,0,0,1,0,0|1,0,0]=3 6946 B9R1.74 CNNC(=O)C1(CC1)O 22a_100016993582_100000241761 [1,0,0,1,0,0|2,0,0]=4 6947 B9R1.74 N#CCC(=O)C1(CC1)O 1458a_100000241761_100011214920 [1,0,0,1,0,0|1,0,1]=4 6948 B9R1.74 O=C(CCF)C1(CC1)F 1458a_100000055089_100011217306 [1,0,0,1,0,0|2,0,0]=4 6949 B9R1.74 O=C(CCF)C1(CC1)O 1458a_100000241761_100011217306 [1,0,0,1,0,0|1,0,0]=3 6950 B9R1.74 O=C(CCO)C1(CC1)F 1458a_100000055089_100000211926 [1,0,0,1,0,0|2,0,0]=4 6951 B9R1.74 O=C(CCO)C1(CC1)O 1458a_100000241761_100000211926 [1,0,0,1,0,0|1,0,0]=3 6952 B9R1.82 CC1CC(C1)C(=O)CF 1458a_100000686124_100015361967 [1,0,0,1,0,0|2,0,0]=4 6953 B9R1.82 CCC(=O)C1CC(C1)C 1458a_100000686124_100000210202 [1,0,0,1,0,0|1,0,0]=3 6954 B9R1.82 CCC(=O)C1CC(C1)F 1458a_100000062598_100000210202 [1,0,0,1,0,0|2,0,0]=4 6955 B9R1.82 CCC(=O)C1CN(C1)C 1458a_100012002723_100000210202 [1,0,0,1,0,0|2,0,0]=4 6956 B9R1.82 CCC(=O)N1CC(C1)C 11a_100000702820_100000210414 [1,0,0,1,0,0|2,0,0]=4 6957 B9R1.82 CCC(=O)N1CC(C1)C 240690a_100000702820_100000210414 [1,0,0,1,0,0|2,0,0]=4 6958 B9R1.82 CCC(=O)N1CC(C1)C 527a_100000702820_100000210414 [1,0,0,1,0,0|2,0,0]=4 6959 B9R1.82 CCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210202 [1,0,0,1,0,0|2,0,0]=4 6960 B9R1.82 CNC(=O)C1CC(C1)C 11a_106832991635_100000686124 [1,0,0,1,0,0|2,0,0]=4 6961 B9R1.82 CNC(=O)C1CC(C1)C 1626a_100102657272_100000686124 [1,0,0,1,0,0|2,0,0]=4 6962 B9R1.82 CNC(=O)C1CC(C1)C 240690a_100102657272_100000686124 [1,0,0,1,0,0|2,0,0]=4 6963 B9R1.82 CNC(=O)C1CC(C1)C 527a_100102657272_100000686124 [1,0,0,1,0,0|2,0,0]=4 6964 B9R1.88 CCC(=O)C1CC1CC 1458a_200011661523_100000210202 [1,0,0,1,0,0|1,0,0]=3 6965 B9R1.88 CCC1CC1C(=O)CF 1458a_200011661523_100015361967 [1,0,0,1,0,0|2,0,0]=4 6966 B9R1.88 CCC1CC1C(=O)NC 11a_106832991635_200011661523 [1,0,0,1,0,0|2,0,0]=4 6967 B9R1.88 CCC1CC1C(=O)NC 1626a_100102657272_200011661523 [1,0,0,1,0,0|2,0,0]=4 6968 B9R1.88 CCC1CC1C(=O)NC 240690a_100102657272_200011661523 [1,0,0,1,0,0|2,0,0]=4 6969 B9R1.88 CCC1CC1C(=O)NC 527a_100102657272_200011661523 [1,0,0,1,0,0|2,0,0]=4 6970 B9R1.101 CCC(=O)N(C)C1CC1 11a_100000226674_100000210414 [1,0,0,1,0,0|2,0,0]=4 6971 B9R1.101 CCC(=O)N(C)C1CC1 1626a_100000226674_100000210414 [1,0,0,1,0,0|2,0,0]=4 6972 B9R1.101 CCC(=O)N(C)C1CC1 240690a_100000226674_100000210414 [1,0,0,1,0,0|2,0,0]=4 6973 B9R1.101 CCC(=O)N(C)C1CC1 527a_100000226674_100000210414 [1,0,0,1,0,0|2,0,0]=4 6974 B9R1.101 CCC(C)C(=O)C1CC1 1458a_100000210395_100000758301 [1,0,0,1,0,0|1,0,0]=3 6975 B9R1.101 CCC(C)C(=O)C1CO1 1458a_100000701028_100000758301 [1,0,0,1,0,0|2,0,0]=4 6976 B9R1.101 CCN(C)C(=O)C1CC1 11a_100000225621_100000210395 [1,0,0,1,0,0|2,0,0]=4 6977 B9R1.101 CCN(C)C(=O)C1CC1 1626a_100000225621_100000210395 [1,0,0,1,0,0|2,0,0]=4 6978 B9R1.101 CCN(C)C(=O)C1CC1 240690a_100000225621_100000210395 [1,0,0,1,0,0|2,0,0]=4 6979 B9R1.101 CCN(C)C(=O)C1CC1 527a_100000225621_100000210395 [1,0,0,1,0,0|2,0,0]=4 6980 B9R1.186 CC1(CCC1)C(=O)CF 1458a_100000684636_100015361967 [1,0,0,1,0,0|2,0,0]=4 6981 B9R1.186 CCC(=O)C1(CCC1)C 1458a_100000684636_100000210202 [1,0,0,1,0,0|1,0,0]=3 6982 B9R1.186 CCC(=O)C1(CCC1)O 1458a_100000242746_100000210202 [1,0,0,1,0,0|0,0,0]=2 6983 B9R1.186 CCC(=O)C1(COC1)C 1458a_100000094709_100000210202 [1,0,0,1,0,0|2,0,0]=4 6984 B9R1.186 CCC(=O)C1(COC1)O 1458a_100010273515_100000210202 [1,0,0,1,0,0|1,0,0]=3 6985 B9R1.186 CNC(=O)C1(CCC1)C 11a_106832991635_100000684636 [1,0,0,1,0,0|2,0,0]=4 6986 B9R1.186 CNC(=O)C1(CCC1)C 1626a_100102657272_100000684636 [1,0,0,1,0,0|2,0,0]=4 6987 B9R1.186 CNC(=O)C1(CCC1)C 240690a_100102657272_100000684636 [1,0,0,1,0,0|2,0,0]=4 6988 B9R1.186 CNC(=O)C1(CCC1)C 527a_100102657272_100000684636 [1,0,0,1,0,0|2,0,0]=4 6989 B9R1.186 CNC(=O)C1(CCC1)O 240690a_100102657272_100000242746 [1,0,0,1,0,0|1,0,0]=3 6990 B9R1.186 CNC(=O)C1(COC1)O 240690a_100102657272_100010273515 [1,0,0,1,0,0|2,0,0]=4 6991 B9R1.186 O=C(CF)C1(CCC1)O 1458a_100000242746_100015361967 [1,0,0,1,0,0|1,0,0]=3 6992 B9R1.186 O=C(CF)C1(COC1)O 1458a_100010273515_100015361967 [1,0,0,1,0,0|2,0,0]=4 6993 B11R1.30 C#CCC(=O)CC1CCCO1 1458a_100011220946_100000203698 [0,0,0,1,0,1|0,0,2]=4 6994 B11R1.30 C=CCC(=O)CC1CCCO1 1458a_100000210193_100000203698 [0,0,0,1,0,1|0,0,2]=4 6995 B11R1.30 CC#CC(=O)CC1CCCO1 1458a_100000763181_100000203698 [0,0,0,1,0,1|0,0,2]=4 6996 B11R1.30 CC=CC(=O)CC1CCCO1 1458a_100000210699_100000203698 [0,0,0,1,0,1|0,0,2]=4 6997 B11R1.30 CCCC(=O)C=C1CCCC1 1458a_100000743260_100000210303 [0,0,0,1,0,1|1,0,1]=4 6998 B11R1.30 CCCC(=O)CC1=CCCC1 1458a_100000050221_100000210303 [0,0,0,1,0,1|1,0,1]=4 6999 B11R1.30 CCCC(=O)CC1C=CCC1 1458a_100000212241_100000210303 [0,0,0,1,0,1|1,0,1]=4 7000 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000210891_100000210303 [0,0,0,1,0,1|1,0,0]=3 7001 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000211992_100000740388 [0,0,0,1,0,1|1,0,0]=3 7002 B11R1.30 CCCC(=O)CC1CCCO1 1458a_100000211992_100000203698 [0,0,0,1,0,1|0,0,0]=2 7003 B11R1.30 CCCC(=O)CC1CCOC1 1458a_100000211992_100000702531 [0,0,0,1,0,1|2,0,0]=4 7004 B11R1.30 CCCC(=O)CC1CCOC1 1458a_100011218419_100000210303 [0,0,0,1,0,1|2,0,0]=4 7005 B11R1.30 CCCC(=O)CC1OCCO1 1458a_100000211992_100000755774 [0,0,0,1,0,1|1,0,0]=3 7006 B11R1.30 CCCC(=O)CN1CCCC1 1458a_100000740243_100000210303 [0,0,0,1,0,1|2,0,0]=4 7007 B11R1.30 CCCC(=O)CN1CCCC1 2230a_100000188435_100000747444 [0,0,0,1,0,1|2,0,0]=4 7008 B11R1.30 CCCC(=O)CN1CCCC1 269982a_100000188435_100000747444 [0,0,0,1,0,1|2,0,0]=4 7009 B11R1.30 CCCC(=O)NC1CCCC1 11a_100000211070_100000211992 [0,0,0,1,0,1|1,0,0]=3 7010 B11R1.30 CCCC(=O)NC1CCCC1 1626a_100000211070_100000211992 [0,0,0,1,0,1|1,0,0]=3 7011 B11R1.30 CCCC(=O)NC1CCCC1 240690a_100000211070_100000211992 [0,0,0,1,0,1|1,0,0]=3 7012 B11R1.30 CCCC(=O)NC1CCCC1 527a_100000211070_100000211992 [0,0,0,1,0,1|1,0,0]=3 7013 B11R1.30 CCCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000211992 [0,0,0,1,0,1|2,0,0]=4 7014 B11R1.30 CCCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000211992 [0,0,0,1,0,1|2,0,0]=4 7015 B11R1.30 CCCC(=O)N[C@H]1CCOC1 11a_100015188467_100000211992 [0,0,0,1,0,1|2,0,0]=4 7016 B11R1.30 CCCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000211992 [0,0,0,1,0,1|2,0,0]=4 7017 B11R1.30 CCCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000211992 [0,0,0,1,0,1|2,0,0]=4 7018 B11R1.30 CCCC(=O)N[C@H]1CCOC1 527a_100015188467_100000211992 [0,0,0,1,0,1|2,0,0]=4 7019 B11R1.30 CCCC(C)OC1CCCO1 34a_100000085407_100000766640 [0,0,0,1,0,1|1,0,1]=4 7020 B11R1.30 CCCN(C)CC1CCCO1 2230a_100000226859_200000210301 [0,0,0,1,0,1|2,0,0]=4 7021 B11R1.30 CCCN(C)CC1CCCO1 2230a_100000747261_100000203698 [0,0,0,1,0,1|2,0,0]=4 7022 B11R1.30 CCCN(C)CC1CCCO1 2230a_100102946541_100000210303 [0,0,0,1,0,1|2,0,0]=4 7023 B11R1.30 CCCN(C)CC1CCCO1 269982a_100000226859_200000210301 [0,0,0,1,0,1|2,0,0]=4 7024 B11R1.30 CCCN(C)CC1CCCO1 269982a_100000747261_100000183445 [0,0,0,1,0,1|2,0,0]=4 7025 B11R1.30 CCCN(C)CC1CCCO1 269982a_100102946541_100000210303 [0,0,0,1,0,1|2,0,0]=4 7026 B11R1.30 CCCN(C)CC1CCCO1 34a_100000226859_200000210301 [0,0,0,1,0,1|2,0,0]=4 7027 B11R1.30 CCCN(C)CC1CCCO1 34a_100102946541_100000210303 [0,0,0,1,0,1|2,0,0]=4 7028 B11R1.30 CCCN([13CH3])CC1CCCO1 2230a_100000226859_200025704644 [0,0,0,1,0,1|2,0,0]=4 7029 B11R1.30 CCCN([13CH3])CC1CCCO1 269982a_100000226859_200025704644 [0,0,0,1,0,1|2,0,0]=4 7030 B11R1.30 CCCN([13CH3])CC1CCCO1 34a_100000226859_200025704644 [0,0,0,1,0,1|2,0,0]=4 7031 B11R1.30 CCNC(=O)CC1CCCC1 11a_100015525214_100000210891 [0,0,0,1,0,1|2,0,0]=4 7032 B11R1.30 CCNC(=O)CC1CCCC1 240690a_100015525214_100000210891 [0,0,0,1,0,1|2,0,0]=4 7033 B11R1.30 CCNC(=O)CC1CCCC1 527a_100015525214_100000210891 [0,0,0,1,0,1|2,0,0]=4 7034 B11R1.30 CCNC(=O)NC1CCCC1 2708a_100000211070_100015525214 [0,0,0,1,0,1|2,0,0]=4 7035 B11R1.30 CCNC(=O)NC1CCCC1 2708a_100015525214_100000211070 [0,0,0,1,0,1|2,0,0]=4 7036 B11R1.30 CCNC(=O)NC1CCCC1 273464a_100000211070_100015525214 [0,0,0,1,0,1|2,0,0]=4 7037 B11R1.30 CCNC(=O)NC1CCCC1 273464a_100015525214_100000211070 [0,0,0,1,0,1|2,0,0]=4 7038 B11R1.30 CCNC(=O)NC1CCCC1 512a_100000211070_100015525214 [0,0,0,1,0,1|2,0,0]=4 7039 B11R1.30 CCNC(=O)NC1CCCC1 512a_100015525214_100000211070 [0,0,0,1,0,1|2,0,0]=4 7040 B11R1.30 CNCC(=O)NC1CCCC1 2230a_100000747513_200000210301 [0,0,0,1,0,1|2,0,0]=4 7041 B11R1.30 CNCC(=O)NC1CCCC1 2230a_106832991635_100000183512 [0,0,0,1,0,1|2,0,0]=4 7042 B11R1.30 CNCC(=O)NC1CCCC1 34a_100102657272_100000183512 [0,0,0,1,0,1|2,0,0]=4 7043 B11R1.30 CNCC(=O)NC1CCCC1 7a_106832991635_100000183512 [0,0,0,1,0,1|2,0,0]=4 7044 B11R1.30 COCC(=O)CC1CCCC1 1458a_100000210968_100000740388 [0,0,0,1,0,1|2,0,0]=4 7045 B11R1.30 COCC(=O)CC1CCCO1 1458a_100000210968_100000203698 [0,0,0,1,0,1|1,0,0]=3 7046 B11R1.30 COCC(=O)CC1OCCO1 1458a_100000210968_100000755774 [0,0,0,1,0,1|2,0,0]=4 7047 B11R1.30 COCC(=O)NC1CCCC1 11a_100000211070_100000210968 [0,0,0,1,0,1|2,0,0]=4 7048 B11R1.30 COCC(=O)NC1CCCC1 1626a_100000211070_100000210968 [0,0,0,1,0,1|2,0,0]=4 7049 B11R1.30 COCC(=O)NC1CCCC1 240690a_100000211070_100000210968 [0,0,0,1,0,1|2,0,0]=4 7050 B11R1.30 COCC(=O)NC1CCCC1 34a_100138415774_100000183512 [0,0,0,1,0,1|2,0,0]=4 7051 B11R1.30 COCC(=O)NC1CCCC1 527a_100000211070_100000210968 [0,0,0,1,0,1|2,0,0]=4 7052 B11R1.30 CSCC(=O)CC1CCCC1 1458a_100000184570_100000740388 [0,0,0,1,0,1|2,0,0]=4 7053 B11R1.30 CSCC(=O)CC1CCCO1 1458a_100000184570_100000203698 [0,0,0,1,0,1|1,0,0]=3 7054 B11R1.30 CSCC(=O)CC1OCCO1 1458a_100000184570_100000755774 [0,0,0,1,0,1|2,0,0]=4 7055 B11R1.30 CSCC(=O)NC1CCCC1 11a_100000211070_100000184570 [0,0,0,1,0,1|2,0,0]=4 7056 B11R1.30 CSCC(=O)NC1CCCC1 1626a_100000211070_100000184570 [0,0,0,1,0,1|2,0,0]=4 7057 B11R1.30 CSCC(=O)NC1CCCC1 240690a_100000211070_100000184570 [0,0,0,1,0,1|2,0,0]=4 7058 B11R1.30 CSCC(=O)NC1CCCC1 527a_100000211070_100000184570 [0,0,0,1,0,1|2,0,0]=4 7059 B11R1.30 CSCC(=O)NC1CCCC1 62a_100000183512_200000210301 [0,0,0,1,0,1|2,0,0]=4 7060 B11R1.30 CSCC(=O)NC1CCCC1 62a_200000210301_100000183512 [0,0,0,1,0,1|2,0,0]=4 7061 B11R1.30 N#CCC(=O)CC1CCCO1 1458a_100051588842_100000203698 [0,0,0,1,0,1|1,0,1]=4 7062 B11R1.30 O=C(CCF)CC1CCCC1 1458a_100000210891_100011217306 [0,0,0,1,0,1|2,0,0]=4 7063 B11R1.30 O=C(CCO)CC1CCCC1 1458a_100000210891_100000211926 [0,0,0,1,0,1|2,0,0]=4 7064 B11R1.30 O=C(CCO)CC1CCCC1 1458a_100011216618_100000740388 [0,0,0,1,0,1|2,0,0]=4 7065 B11R1.30 O=C(CCO)CC1CCCO1 1458a_100011216618_100000203698 [0,0,0,1,0,1|1,0,0]=3 7066 B11R1.30 O=C(CCO)CC1OCCO1 1458a_100011216618_100000755774 [0,0,0,1,0,1|2,0,0]=4 7067 B11R1.30 O=C(CCO)NC1CCCC1 240690a_100000211070_100011216618 [0,0,0,1,0,1|2,0,0]=4 7068 B11R1.30 [13CH3]NCC(=O)NC1CCCC1 2230a_100000747513_200025704644 [0,0,0,1,0,1|2,0,0]=4 7069 B11R1.30 [13CH3]SCC(=O)NC1CCCC1 62a_100000183512_200025704644 [0,0,0,1,0,1|2,0,0]=4 7070 B11R1.30 [13CH3]SCC(=O)NC1CCCC1 62a_200025704644_100000183512 [0,0,0,1,0,1|2,0,0]=4 7071 B11R1.110 CCCN1CCCCC(C1)O 2230a_100025706797_100000210303 [0,0,0,1,0,1|2,0,0]=4 7072 B11R1.110 CCCN1CCCCC(C1)O 269982a_100025706797_100000210303 [0,0,0,1,0,1|2,0,0]=4 7073 B11R1.127 CCCc1noc(n1)CCC 270196a_100011193412_100000211992 [0,0,0,1,0,1|1,0,1]=4 7074 B11R1.199 CC1CCCC1C(=O)CCF 1458a_100000690547_100011217306 [0,0,0,1,0,1|2,0,0]=4 7075 B11R1.199 CC1CCCC1C(=O)CCO 1458a_100000690547_100000211926 [0,0,0,1,0,1|2,0,0]=4 7076 B11R1.199 CCCC(=O)C1CCCC1=O 1458a_100000211992_100000211823 [0,0,0,1,0,1|0,0,2]=4 7077 B11R1.199 CCCC(=O)C1CCCC1C 1458a_100000690547_100000210303 [0,0,0,1,0,1|1,0,0]=3 7078 B11R1.199 CCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000211992 [0,0,0,1,0,1|1,0,0]=3 7079 B11R1.199 CCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000211992 [0,0,0,1,0,1|1,0,0]=3 7080 B11R1.199 CCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000211992 [0,0,0,1,0,1|1,0,0]=3 7081 B11R1.199 CCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000211992 [0,0,0,1,0,1|1,0,0]=3 7082 B11R1.199 CCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000211992 [0,0,0,1,0,1|1,0,0]=3 7083 B11R1.199 CCCC(=O)N1CCSC1C 11a_200011216479_100000211992 [0,0,0,1,0,1|2,0,0]=4 7084 B11R1.199 CCCC(=O)N1CCSC1C 1626a_200011216479_100000211992 [0,0,0,1,0,1|2,0,0]=4 7085 B11R1.199 CCCC(=O)N1CCSC1C 240690a_200011216479_100000211992 [0,0,0,1,0,1|2,0,0]=4 7086 B11R1.199 CCCC(=O)N1CCSC1C 527a_200011216479_100000211992 [0,0,0,1,0,1|2,0,0]=4 7087 B11R1.199 CCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210303 [0,0,0,1,0,1|2,0,0]=4 7088 B11R1.199 CCCN(C)C1CCCC1=O 2230a_100000747261_100000211823 [0,0,0,1,0,1|2,0,0]=4 7089 B11R1.199 CCCN(C)C1CCCC1=O 269982a_100000747261_100000211823 [0,0,0,1,0,1|2,0,0]=4 7090 B11R1.199 CCCN(C)[C@@H]1CCC[C@H]1O 269982a_100000747261_200016002552 [0,0,0,1,0,1|2,0,0]=4 7091 B11R1.199 CCNC(=O)C1CCCC1C 11a_100015525214_100000690547 [0,0,0,1,0,1|2,0,0]=4 7092 B11R1.199 CCNC(=O)C1CCCC1C 240690a_100015525214_100000690547 [0,0,0,1,0,1|2,0,0]=4 7093 B11R1.199 CCNC(=O)C1CCCC1C 527a_100015525214_100000690547 [0,0,0,1,0,1|2,0,0]=4 7094 B11R1.199 CCNC(=O)N1CCC[C@@H]1C 2708a_100015525214_100020605311 [0,0,0,1,0,1|2,0,0]=4 7095 B11R1.199 CCNC(=O)N1CCC[C@@H]1C 273464a_100015525214_100020605311 [0,0,0,1,0,1|2,0,0]=4 7096 B11R1.199 CCNC(=O)N1CCC[C@H]1C 2708a_100015525214_100015189458 [0,0,0,1,0,1|2,0,0]=4 7097 B11R1.199 CCNC(=O)N1CCC[C@H]1C 273464a_100015525214_100015189458 [0,0,0,1,0,1|2,0,0]=4 7098 B11R1.199 COCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210968 [0,0,0,1,0,1|2,0,0]=4 7099 B11R1.199 COCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210968 [0,0,0,1,0,1|2,0,0]=4 7100 B11R1.199 COCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210968 [0,0,0,1,0,1|2,0,0]=4 7101 B11R1.199 COCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210968 [0,0,0,1,0,1|2,0,0]=4 7102 B11R1.199 COCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210968 [0,0,0,1,0,1|2,0,0]=4 7103 B11R1.199 CSCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000184570 [0,0,0,1,0,1|2,0,0]=4 7104 B11R1.199 CSCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000184570 [0,0,0,1,0,1|2,0,0]=4 7105 B11R1.199 CSCC(=O)N1CCC[C@H]1C 11a_100015189458_100000184570 [0,0,0,1,0,1|2,0,0]=4 7106 B11R1.199 CSCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000184570 [0,0,0,1,0,1|2,0,0]=4 7107 B11R1.199 CSCC(=O)N1CCC[C@H]1C 527a_100015189458_100000184570 [0,0,0,1,0,1|2,0,0]=4 7108 B11R1.199 C[C@@H]1CCCN1C(=O)CCO 240690a_100015189458_100011216618 [0,0,0,1,0,1|2,0,0]=4 7109 B11R1.199 C[C@H]1CCCN1C(=O)CCO 240690a_100020605311_100011216618 [0,0,0,1,0,1|2,0,0]=4 7110 B11R1.201 CCCC(=O)CN1CC(C1)C 2230a_100000702820_100000747444 [0,0,0,1,0,1|2,0,0]=4 7111 B11R1.201 CCCC(=O)CN1CC(C1)C 269982a_100000702820_100000747444 [0,0,0,1,0,1|2,0,0]=4 7112 B11R1.201 CCCC(=O)NC1CC(C1)F 11a_100016993743_100000211992 [0,0,0,1,0,1|2,0,0]=4 7113 B11R1.201 CCCC(=O)NC1CC(C1)F 1626a_100016993743_100000211992 [0,0,0,1,0,1|2,0,0]=4 7114 B11R1.201 CCCC(=O)NC1CC(C1)F 240690a_100016993743_100000211992 [0,0,0,1,0,1|2,0,0]=4 7115 B11R1.201 CCCC(=O)NC1CC(C1)F 527a_100016993743_100000211992 [0,0,0,1,0,1|2,0,0]=4 7116 B11R1.201 CCCC(=O)NC1CN(C1)C 240690a_100015196640_100000211992 [0,0,0,1,0,1|2,0,0]=4 7117 B11R1.201 CCCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000211992 [0,0,0,1,0,1|2,0,0]=4 7118 B11R1.201 CCCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000211992 [0,0,0,1,0,1|2,0,0]=4 7119 B11R1.201 CCCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000211992 [0,0,0,1,0,1|2,0,0]=4 7120 B11R1.201 CCCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000211992 [0,0,0,1,0,1|2,0,0]=4 7121 B11R1.334 CC(NC(=O)CCO)C1CC1 240690a_100000700016_100011216618 [0,0,0,1,0,1|2,0,0]=4 7122 B11R1.334 CCCC(=O)C=C(C)C1CC1 1458a_100000742917_100000210303 [0,0,0,1,0,1|1,0,1]=4 7123 B11R1.334 CCCC(=O)CC(=O)C1CC1 1458a_100000210395_100000747444 [0,0,0,1,0,1|0,0,2]=4 7124 B11R1.334 CCCC(=O)CC(=O)C1CC1 1458a_100000211992_100000746382 [0,0,0,1,0,1|0,0,2]=4 7125 B11R1.334 CCCC(=O)CN(C)C1CC1 2230a_100000226674_100000747444 [0,0,0,1,0,1|2,0,0]=4 7126 B11R1.334 CCCC(=O)CN(C)C1CC1 269982a_100000226674_100000747444 [0,0,0,1,0,1|2,0,0]=4 7127 B11R1.334 CCCC(=O)NC(C)C1CC1 11a_100000700016_100000211992 [0,0,0,1,0,1|1,0,0]=3 7128 B11R1.334 CCCC(=O)NC(C)C1CC1 1626a_100000700016_100000211992 [0,0,0,1,0,1|1,0,0]=3 7129 B11R1.334 CCCC(=O)NC(C)C1CC1 240690a_100000700016_100000211992 [0,0,0,1,0,1|1,0,0]=3 7130 B11R1.334 CCCC(=O)NC(C)C1CC1 527a_100000700016_100000211992 [0,0,0,1,0,1|1,0,0]=3 7131 B11R1.334 CCCC(C)CC(=O)C1CC1 1458a_100000210395_100011216630 [0,0,0,1,0,1|1,0,0]=3 7132 B11R1.334 CCCC(C)CC(=O)C1CO1 1458a_100000701028_100011216630 [0,0,0,1,0,1|2,0,0]=4 7133 B11R1.334 CCCC(C)NC(=O)C1CC1 11a_100000741246_100000210395 [0,0,0,1,0,1|1,0,0]=3 7134 B11R1.334 CCCC(C)NC(=O)C1CC1 1626a_100000741246_100000210395 [0,0,0,1,0,1|1,0,0]=3 7135 B11R1.334 CCCC(C)NC(=O)C1CC1 240690a_100000741246_100000210395 [0,0,0,1,0,1|1,0,0]=3 7136 B11R1.334 CCCC(C)NC(=O)C1CC1 527a_100000741246_100000210395 [0,0,0,1,0,1|1,0,0]=3 7137 B11R1.334 CCCC(C)NC(=O)C1CO1 11a_100000741246_100000701028 [0,0,0,1,0,1|2,0,0]=4 7138 B11R1.334 CCCC(C)NC(=O)C1CO1 1626a_100000741246_100000701028 [0,0,0,1,0,1|2,0,0]=4 7139 B11R1.334 CCCC(C)NC(=O)C1CO1 240690a_100000741246_100000701028 [0,0,0,1,0,1|2,0,0]=4 7140 B11R1.334 CCCC(C)NC(=O)C1CO1 527a_100000741246_100000701028 [0,0,0,1,0,1|2,0,0]=4 7141 B11R1.334 CCCN(C)CC(=O)C1CC1 2230a_100000747261_100000746382 [0,0,0,1,0,1|2,0,0]=4 7142 B11R1.334 CCCN(C)CC(=O)C1CC1 269982a_100000747261_100000746382 [0,0,0,1,0,1|2,0,0]=4 7143 B11R1.334 CCNC(=O)NC(C)C1CC1 2708a_100000700016_100015525214 [0,0,0,1,0,1|2,0,0]=4 7144 B11R1.334 CCNC(=O)NC(C)C1CC1 2708a_100015525214_100000700016 [0,0,0,1,0,1|2,0,0]=4 7145 B11R1.334 CCNC(=O)NC(C)C1CC1 273464a_100000700016_100015525214 [0,0,0,1,0,1|2,0,0]=4 7146 B11R1.334 CCNC(=O)NC(C)C1CC1 273464a_100015525214_100000700016 [0,0,0,1,0,1|2,0,0]=4 7147 B11R1.334 CCNC(=O)NC(C)C1CC1 512a_100000700016_100015525214 [0,0,0,1,0,1|2,0,0]=4 7148 B11R1.334 CCNC(=O)NC(C)C1CC1 512a_100015525214_100000700016 [0,0,0,1,0,1|2,0,0]=4 7149 B11R1.334 COCC(=O)NC(C)C1CC1 11a_100000700016_100000210968 [0,0,0,1,0,1|2,0,0]=4 7150 B11R1.334 COCC(=O)NC(C)C1CC1 1626a_100000700016_100000210968 [0,0,0,1,0,1|2,0,0]=4 7151 B11R1.334 COCC(=O)NC(C)C1CC1 240690a_100000700016_100000210968 [0,0,0,1,0,1|2,0,0]=4 7152 B11R1.334 COCC(=O)NC(C)C1CC1 527a_100000700016_100000210968 [0,0,0,1,0,1|2,0,0]=4 7153 B11R1.334 COC[C@@H](C)NC(=O)C1CC1 11a_100000764878_100000210395 [0,0,0,1,0,1|2,0,0]=4 7154 B11R1.334 COC[C@@H](C)NC(=O)C1CC1 1626a_100000764878_100000210395 [0,0,0,1,0,1|2,0,0]=4 7155 B11R1.334 COC[C@@H](C)NC(=O)C1CC1 240690a_100000764878_100000210395 [0,0,0,1,0,1|2,0,0]=4 7156 B11R1.334 COC[C@@H](C)NC(=O)C1CC1 527a_100000764878_100000210395 [0,0,0,1,0,1|2,0,0]=4 7157 B11R1.334 CSCC(=O)NC(C)C1CC1 11a_100000700016_100000184570 [0,0,0,1,0,1|2,0,0]=4 7158 B11R1.334 CSCC(=O)NC(C)C1CC1 1626a_100000700016_100000184570 [0,0,0,1,0,1|2,0,0]=4 7159 B11R1.334 CSCC(=O)NC(C)C1CC1 240690a_100000700016_100000184570 [0,0,0,1,0,1|2,0,0]=4 7160 B11R1.334 CSCC(=O)NC(C)C1CC1 527a_100000700016_100000184570 [0,0,0,1,0,1|2,0,0]=4 7161 B11R1.334 C[C@H](CCO)NC(=O)C1CC1 240690a_100000706166_100000210395 [0,0,0,1,0,1|2,0,0]=4 7162 B11R1.334 C[C@H](CCO)NC(=O)C1CC1 527a_100000706166_100000210395 [0,0,0,1,0,1|2,0,0]=4 7163 B11R1.840 CC1(CCC1)CC(=O)CCO 1458a_100011216618_100000726658 [0,0,0,1,0,1|2,0,0]=4 7164 B11R1.840 CC1(CCC1)NC(=O)CCO 240690a_100000692455_100011216618 [0,0,0,1,0,1|2,0,0]=4 7165 B11R1.840 CCCC(=O)CC1(CCC1)C 1458a_100000211992_100000726658 [0,0,0,1,0,1|1,0,0]=3 7166 B11R1.840 CCCC(=O)CC1(COC1)C 1458a_100000211992_100000066812 [0,0,0,1,0,1|2,0,0]=4 7167 B11R1.840 CCCC(=O)NC1(CCC1)C 11a_100000692455_100000211992 [0,0,0,1,0,1|1,0,0]=3 7168 B11R1.840 CCCC(=O)NC1(CCC1)C 1626a_100000692455_100000211992 [0,0,0,1,0,1|1,0,0]=3 7169 B11R1.840 CCCC(=O)NC1(CCC1)C 240690a_100000692455_100000211992 [0,0,0,1,0,1|1,0,0]=3 7170 B11R1.840 CCCC(=O)NC1(CCC1)C 527a_100000692455_100000211992 [0,0,0,1,0,1|1,0,0]=3 7171 B11R1.840 CCCC(=O)NC1(COC1)C 11a_100000732644_100000211992 [0,0,0,1,0,1|2,0,0]=4 7172 B11R1.840 CCCC(=O)NC1(COC1)C 1626a_100000732644_100000211992 [0,0,0,1,0,1|2,0,0]=4 7173 B11R1.840 CCCC(=O)NC1(COC1)C 527a_100000732644_100000211992 [0,0,0,1,0,1|2,0,0]=4 7174 B11R1.840 CCNC(=O)NC1(CCC1)C 2708a_100015525214_100000692455 [0,0,0,1,0,1|2,0,0]=4 7175 B11R1.840 CCNC(=O)NC1(CCC1)C 273464a_100000692455_100015525214 [0,0,0,1,0,1|2,0,0]=4 7176 B11R1.840 CCNC(=O)NC1(CCC1)C 273464a_100015525214_100000692455 [0,0,0,1,0,1|2,0,0]=4 7177 B11R1.840 CCNC(=O)NC1(CCC1)C 512a_100000692455_100015525214 [0,0,0,1,0,1|2,0,0]=4 7178 B11R1.840 CCNC(=O)NC1(CCC1)C 512a_100015525214_100000692455 [0,0,0,1,0,1|2,0,0]=4 7179 B11R1.840 COCC(=O)CC1(CCC1)C 1458a_100000210968_100000726658 [0,0,0,1,0,1|2,0,0]=4 7180 B11R1.840 COCC(=O)NC1(CCC1)C 11a_100000692455_100000210968 [0,0,0,1,0,1|2,0,0]=4 7181 B11R1.840 COCC(=O)NC1(CCC1)C 1626a_100000692455_100000210968 [0,0,0,1,0,1|2,0,0]=4 7182 B11R1.840 COCC(=O)NC1(CCC1)C 240690a_100000692455_100000210968 [0,0,0,1,0,1|2,0,0]=4 7183 B11R1.840 COCC(=O)NC1(CCC1)C 527a_100000692455_100000210968 [0,0,0,1,0,1|2,0,0]=4 7184 B11R1.840 CSCC(=O)CC1(CCC1)C 1458a_100000184570_100000726658 [0,0,0,1,0,1|2,0,0]=4 7185 B11R1.840 CSCC(=O)NC1(CCC1)C 11a_100000692455_100000184570 [0,0,0,1,0,1|2,0,0]=4 7186 B11R1.840 CSCC(=O)NC1(CCC1)C 1626a_100000692455_100000184570 [0,0,0,1,0,1|2,0,0]=4 7187 B11R1.840 CSCC(=O)NC1(CCC1)C 240690a_100000692455_100000184570 [0,0,0,1,0,1|2,0,0]=4 7188 B11R1.840 CSCC(=O)NC1(CCC1)C 527a_100000692455_100000184570 [0,0,0,1,0,1|2,0,0]=4 7189 B11R1.5 CCNC1CCCCNC1=O 2230a_100000698827_100000210202 [0,1,0,1,0,0|2,0,0]=4 7190 B11R1.5 CCNC1CCCCNC1=O 2230a_100015525214_100000735217 [0,1,0,1,0,0|2,0,0]=4 7191 B11R1.5 CCNC1CCCCNC1=O 34a_100000698827_100000210202 [0,1,0,1,0,0|2,0,0]=4 7192 B11R1.5 CCSC1CCCCCC1=O 62a_100000210202_100000243696 [0,1,0,1,0,0|2,0,0]=4 7193 B11R1.5 CCSC1CCCCCC1=O 62a_100000243696_100000210202 [0,1,0,1,0,0|2,0,0]=4 7194 B11R1.5 CCSC1CCCCNC1=O 62a_100000210202_100000735217 [0,1,0,1,0,0|2,0,0]=4 7195 B11R1.5 CCSC1CCCCNC1=O 62a_100000735217_100000210202 [0,1,0,1,0,0|2,0,0]=4 7196 B11R1.13 CCCN1CCNC(=O)C1C 2230a_100000750721_100000210303 [0,1,0,1,0,0|2,0,0]=4 7197 B11R1.13 CCCN1CCNC(=O)C1C 269982a_100000750721_100000210303 [0,1,0,1,0,0|2,0,0]=4 7198 B11R1.13 CCCN1CCNC(=O)C1C 34a_100000750721_100000210303 [0,1,0,1,0,0|2,0,0]=4 7199 B11R1.13 CN1C(=O)CCCC1CN[13CH3] 2230a_200010383782_200025704644 [0,1,0,1,0,0|2,0,0]=4 7200 B11R1.13 CN1C(=O)CCCC1CN[13CH3] 34a_200010383782_200025704644 [0,1,0,1,0,0|2,0,0]=4 7201 B11R1.13 CNCC1CCCC(=O)N1C 2230a_200010383782_200000210301 [0,1,0,1,0,0|2,0,0]=4 7202 B11R1.13 CNCC1CCCC(=O)N1C 34a_200010383782_200000210301 [0,1,0,1,0,0|2,0,0]=4 7203 B11R1.15 CC1=NOC(C1)C(=O)CCF 1458a_100000763720_100011217306 [0,1,0,1,0,0|1,0,1]=4 7204 B11R1.15 CC1=NOC(C1)C(=O)CCO 1458a_100000763720_100000211926 [0,1,0,1,0,0|1,0,1]=4 7205 B11R1.15 CCCC(=O)C1CC(=NO1)C 1458a_100000763720_100000210303 [0,1,0,1,0,0|0,0,1]=3 7206 B11R1.15 CCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210303 [0,1,0,1,0,0|1,0,1]=4 7207 B11R1.15 CCCC(=O)C1CCC(C1)O 1458a_100000688591_100000210303 [0,1,0,1,0,0|1,0,0]=3 7208 B11R1.15 CCCC(=O)C1CCN(C1)C 1458a_100000739633_100000210303 [0,1,0,1,0,0|1,0,0]=3 7209 B11R1.15 CCCC(=O)N1CCC(C1)O 240690a_100011215560_100000211992 [0,1,0,1,0,0|2,0,0]=4 7210 B11R1.15 CCCC(=O)N1CCC(C1)O 527a_100011215560_100000211992 [0,1,0,1,0,0|2,0,0]=4 7211 B11R1.15 CCCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000211992 [0,1,0,1,0,0|2,0,0]=4 7212 B11R1.15 CCCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000211992 [0,1,0,1,0,0|2,0,0]=4 7213 B11R1.15 CCCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000211992 [0,1,0,1,0,0|2,0,0]=4 7214 B11R1.15 CCCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000211992 [0,1,0,1,0,0|2,0,0]=4 7215 B11R1.15 CCCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000211992 [0,1,0,1,0,0|2,0,0]=4 7216 B11R1.15 CCCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000211992 [0,1,0,1,0,0|2,0,0]=4 7217 B11R1.15 CCCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000211992 [0,1,0,1,0,0|2,0,0]=4 7218 B11R1.15 CCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210303 [0,1,0,1,0,0|0,0,1]=3 7219 B11R1.15 CCNC(=O)C1CC(=NO1)C 11a_100015525214_100000763720 [0,1,0,1,0,0|1,0,1]=4 7220 B11R1.15 CCNC(=O)C1CC(=NO1)C 240690a_100015525214_100000763720 [0,1,0,1,0,0|1,0,1]=4 7221 B11R1.15 CCNC(=O)C1CCC(C1)O 240690a_100015525214_100000688591 [0,1,0,1,0,0|2,0,0]=4 7222 B11R1.15 CCNC(=O)C1CCN(C1)C 240690a_100015525214_100000739633 [0,1,0,1,0,0|2,0,0]=4 7223 B11R1.15 CCNC(=O)C1CCN(C1)C 527a_100015525214_100000739633 [0,1,0,1,0,0|2,0,0]=4 7224 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)O1 11a_100015525214_100009814974 [0,1,0,1,0,0|1,0,1]=4 7225 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)O1 240690a_100015525214_100009814974 [0,1,0,1,0,0|1,0,1]=4 7226 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)O1 527a_100015525214_100009814974 [0,1,0,1,0,0|1,0,1]=4 7227 B11R1.15 CCOC(=O)C1CCN(C1)C 2230a_100016987290_200000210301 [0,1,0,1,0,0|2,0,0]=4 7228 B11R1.15 CCOC(=O)C1CCN(C1)C 269982a_100016987290_200000210301 [0,1,0,1,0,0|2,0,0]=4 7229 B11R1.15 CCOC(=O)C1CCN(C1)[13CH3] 2230a_100016987290_200025704644 [0,1,0,1,0,0|2,0,0]=4 7230 B11R1.15 CCOC(=O)C1CCN(C1)[13CH3] 269982a_100016987290_200025704644 [0,1,0,1,0,0|2,0,0]=4 7231 B11R1.15 CN1CCC(C1)C(=O)CCF 1458a_100000739633_100011217306 [0,1,0,1,0,0|2,0,0]=4 7232 B11R1.15 CN1CCC(C1)C(=O)CCO 1458a_100000739633_100000211926 [0,1,0,1,0,0|2,0,0]=4 7233 B11R1.15 O=C(CCF)C1CCC(C1)O 1458a_100000688591_100011217306 [0,1,0,1,0,0|2,0,0]=4 7234 B11R1.15 O=C(CCO)C1CCC(C1)O 1458a_100000688591_100000211926 [0,1,0,1,0,0|2,0,0]=4 7235 B11R1.15 O=C1CC[C@H](O1)C(=O)CCF 1458a_100009814974_100011217306 [0,1,0,1,0,0|1,0,1]=4 7236 B11R1.15 O=C1CC[C@H](O1)C(=O)CCO 1458a_100009814974_100000211926 [0,1,0,1,0,0|1,0,1]=4 7237 B11R1.16 C#CCC(=O)C1CCCCO1 1458a_100000748299_100000184674 [0,1,0,1,0,0|0,0,2]=4 7238 B11R1.16 C#CCC(=O)C1CCCOC1 1458a_100000741522_100000184674 [0,1,0,1,0,0|0,0,2]=4 7239 B11R1.16 C#CCC(=O)C1CCCOC1 1458a_100011220946_100000693364 [0,1,0,1,0,0|0,0,2]=4 7240 B11R1.16 C#CCC(=O)C1COCCO1 1458a_100000045528_100000184674 [0,1,0,1,0,0|0,0,2]=4 7241 B11R1.16 C=CCC(=O)C1CCCCO1 1458a_100000748299_100000210623 [0,1,0,1,0,0|0,0,2]=4 7242 B11R1.16 C=CCC(=O)C1CCCOC1 1458a_100000210193_100000693364 [0,1,0,1,0,0|0,0,2]=4 7243 B11R1.16 C=CCC(=O)C1CCCOC1 1458a_100000741522_100000210623 [0,1,0,1,0,0|0,0,2]=4 7244 B11R1.16 C=CCC(=O)C1COCCO1 1458a_100000045528_100000210623 [0,1,0,1,0,0|0,0,2]=4 7245 B11R1.16 CC#CC(=O)C1CCCOC1 1458a_100000763181_100000693364 [0,1,0,1,0,0|0,0,2]=4 7246 B11R1.16 CC=CC(=O)C1CCCOC1 1458a_100000210699_100000693364 [0,1,0,1,0,0|0,0,2]=4 7247 B11R1.16 CCCC(=O)C1=CCCCC1 1458a_100000765259_100000210303 [0,1,0,1,0,0|1,0,1]=4 7248 B11R1.16 CCCC(=O)C1=CCCCO1 1458a_100000764163_100000210303 [0,1,0,1,0,0|0,0,1]=3 7249 B11R1.16 CCCC(=O)C1=COCCC1 1458a_100000749935_100000210303 [0,1,0,1,0,0|0,0,1]=3 7250 B11R1.16 CCCC(=O)C1=COCCO1 1458a_100000008702_100000210303 [0,1,0,1,0,0|0,0,2]=4 7251 B11R1.16 CCCC(=O)C1C=CCCC1 1458a_100000211992_100000751183 [0,1,0,1,0,0|1,0,0]=3 7252 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000210647_100000210303 [0,1,0,1,0,0|1,0,0]=3 7253 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000211992_100000210327 [0,1,0,1,0,0|1,0,0]=3 7254 B11R1.16 CCCC(=O)C1CCCCO1 1458a_100000748299_100000210303 [0,1,0,1,0,0|0,0,0]=2 7255 B11R1.16 CCCC(=O)C1CCCOC1 1458a_100000211992_100000693364 [0,1,0,1,0,0|0,0,0]=2 7256 B11R1.16 CCCC(=O)C1CCCOC1 1458a_100000741522_100000210303 [0,1,0,1,0,0|0,0,0]=2 7257 B11R1.16 CCCC(=O)C1CCOCC1 1458a_100000195482_100000210303 [0,1,0,1,0,0|1,0,0]=3 7258 B11R1.16 CCCC(=O)C1CCOCC1 1458a_100000211992_100011324220 [0,1,0,1,0,0|1,0,0]=3 7259 B11R1.16 CCCC(=O)C1CCSCC1 1458a_100000755232_100000210303 [0,1,0,1,0,0|1,0,0]=3 7260 B11R1.16 CCCC(=O)C1COCCO1 1458a_100000045528_100000210303 [0,1,0,1,0,0|0,0,0]=2 7261 B11R1.16 CCCC(=O)C1SCCCS1 1458a_100000028545_100000210303 [0,1,0,1,0,0|0,1,0]=3 7262 B11R1.16 CCCC(=O)N1CCCOC1 11a_100000131196_100000211992 [0,1,0,1,0,0|1,0,0]=3 7263 B11R1.16 CCCC(=O)N1CCCOC1 240690a_100000131196_100000211992 [0,1,0,1,0,0|1,0,0]=3 7264 B11R1.16 CCCC(=O)N1CCOCC1 11a_100015191051_100000211992 [0,1,0,1,0,0|2,0,0]=4 7265 B11R1.16 CCCC(=O)N1CCOCC1 1626a_100015191051_100000211992 [0,1,0,1,0,0|2,0,0]=4 7266 B11R1.16 CCCC(=O)N1CCOCC1 240690a_100015191051_100000211992 [0,1,0,1,0,0|2,0,0]=4 7267 B11R1.16 CCCC(=O)N1CCOCC1 527a_100015191051_100000211992 [0,1,0,1,0,0|2,0,0]=4 7268 B11R1.16 CCCC(=O)N1CCSCC1 11a_100000737611_100000211992 [0,1,0,1,0,0|2,0,0]=4 7269 B11R1.16 CCCC(=O)N1CCSCC1 240690a_100000737611_100000211992 [0,1,0,1,0,0|2,0,0]=4 7270 B11R1.16 CCCC(=O)N1CCSCC1 527a_100000737611_100000211992 [0,1,0,1,0,0|2,0,0]=4 7271 B11R1.16 CCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210303 [0,1,0,1,0,0|1,0,1]=4 7272 B11R1.16 CCCN(C)C1CCCOC1 269982a_100000747261_100000693364 [0,1,0,1,0,0|2,0,0]=4 7273 B11R1.16 CCCN(C)C1CCCOC1 270004a_100000747261_100000753404 [0,1,0,1,0,0|2,0,0]=4 7274 B11R1.16 CCNC(=O)C1=CCCCO1 11a_100015525214_100000764163 [0,1,0,1,0,0|1,0,1]=4 7275 B11R1.16 CCNC(=O)C1=CCCCO1 240690a_100015525214_100000764163 [0,1,0,1,0,0|1,0,1]=4 7276 B11R1.16 CCNC(=O)C1=CCCCO1 527a_100015525214_100000764163 [0,1,0,1,0,0|1,0,1]=4 7277 B11R1.16 CCNC(=O)C1=COCCC1 527a_100015525214_100000749935 [0,1,0,1,0,0|1,0,1]=4 7278 B11R1.16 CCNC(=O)C1CCCCC1 11a_100015525214_100000210647 [0,1,0,1,0,0|2,0,0]=4 7279 B11R1.16 CCNC(=O)C1CCCCC1 240690a_100015525214_100000210647 [0,1,0,1,0,0|2,0,0]=4 7280 B11R1.16 CCNC(=O)C1CCCCC1 527a_100015525214_100000210647 [0,1,0,1,0,0|2,0,0]=4 7281 B11R1.16 CCNC(=O)C1CCCCO1 11a_100015525214_100000748299 [0,1,0,1,0,0|1,0,0]=3 7282 B11R1.16 CCNC(=O)C1CCCCO1 240690a_100015525214_100000748299 [0,1,0,1,0,0|1,0,0]=3 7283 B11R1.16 CCNC(=O)C1CCCCO1 527a_100015525214_100000748299 [0,1,0,1,0,0|1,0,0]=3 7284 B11R1.16 CCNC(=O)C1CCCOC1 11a_100015525214_100000741522 [0,1,0,1,0,0|1,0,0]=3 7285 B11R1.16 CCNC(=O)C1CCCOC1 240690a_100015525214_100000741522 [0,1,0,1,0,0|1,0,0]=3 7286 B11R1.16 CCNC(=O)C1CCCOC1 527a_100015525214_100000741522 [0,1,0,1,0,0|1,0,0]=3 7287 B11R1.16 CCNC(=O)C1CCOCC1 11a_100015525214_100000195482 [0,1,0,1,0,0|2,0,0]=4 7288 B11R1.16 CCNC(=O)C1CCOCC1 240690a_100015525214_100000195482 [0,1,0,1,0,0|2,0,0]=4 7289 B11R1.16 CCNC(=O)C1CCOCC1 527a_100015525214_100000195482 [0,1,0,1,0,0|2,0,0]=4 7290 B11R1.16 CCNC(=O)C1CCSCC1 11a_100015525214_100000755232 [0,1,0,1,0,0|2,0,0]=4 7291 B11R1.16 CCNC(=O)C1CCSCC1 240690a_100015525214_100000755232 [0,1,0,1,0,0|2,0,0]=4 7292 B11R1.16 CCNC(=O)C1CCSCC1 527a_100015525214_100000755232 [0,1,0,1,0,0|2,0,0]=4 7293 B11R1.16 CCNC(=O)C1COCCO1 11a_100015525214_100000045528 [0,1,0,1,0,0|1,0,0]=3 7294 B11R1.16 CCNC(=O)C1COCCO1 240690a_100015525214_100000045528 [0,1,0,1,0,0|1,0,0]=3 7295 B11R1.16 CCNC(=O)C1COCCO1 527a_100015525214_100000045528 [0,1,0,1,0,0|1,0,0]=3 7296 B11R1.16 CCNC(=O)C1SCCCS1 11a_100015525214_100000028545 [0,1,0,1,0,0|1,1,0]=4 7297 B11R1.16 CCNC(=O)C1SCCCS1 240690a_100015525214_100000028545 [0,1,0,1,0,0|1,1,0]=4 7298 B11R1.16 CCNC(=O)C1SCCCS1 527a_100015525214_100000028545 [0,1,0,1,0,0|1,1,0]=4 7299 B11R1.16 CCNC(=O)N1CCCOC1 2708a_100015525214_100000131196 [0,1,0,1,0,0|2,0,0]=4 7300 B11R1.16 CCNC(=O)N1CCCOC1 273464a_100015525214_100000131196 [0,1,0,1,0,0|2,0,0]=4 7301 B11R1.16 CNCC(=O)C1CCCCC1 2230a_106832991635_100000241979 [0,1,0,1,0,0|2,0,0]=4 7302 B11R1.16 CNCC(=O)C1CCCCC1 34a_100102657272_100000241979 [0,1,0,1,0,0|2,0,0]=4 7303 B11R1.16 CNCC(=O)C1CCCCC1 7a_106832991635_100000241979 [0,1,0,1,0,0|2,0,0]=4 7304 B11R1.16 CNCC(=O)C1CCOCC1 2230a_106832991635_100000689883 [0,1,0,1,0,0|2,0,0]=4 7305 B11R1.16 CNCC(=O)C1CCOCC1 34a_100102657272_100000689883 [0,1,0,1,0,0|2,0,0]=4 7306 B11R1.16 CNCC(=O)C1CCOCC1 7a_106832991635_100000689883 [0,1,0,1,0,0|2,0,0]=4 7307 B11R1.16 CNNC(=O)C1CCCCO1 22a_100016993582_100000748299 [0,1,0,1,0,0|2,0,0]=4 7308 B11R1.16 CNNC(=O)C1CCCOC1 22a_100016993582_100000741522 [0,1,0,1,0,0|2,0,0]=4 7309 B11R1.16 CNNC(=O)C1COCCO1 22a_100016993582_100000045528 [0,1,0,1,0,0|2,0,0]=4 7310 B11R1.16 COCC(=O)C1C=CCCC1 1458a_100000210968_100000751183 [0,1,0,1,0,0|2,0,0]=4 7311 B11R1.16 COCC(=O)C1CCCCC1 1458a_100000210968_100000210327 [0,1,0,1,0,0|2,0,0]=4 7312 B11R1.16 COCC(=O)C1CCCCC1 34a_100138415774_100000241979 [0,1,0,1,0,0|2,0,0]=4 7313 B11R1.16 COCC(=O)C1CCCOC1 1458a_100000210968_100000693364 [0,1,0,1,0,0|1,0,0]=3 7314 B11R1.16 COCC(=O)C1CCOCC1 1458a_100000210968_100011324220 [0,1,0,1,0,0|2,0,0]=4 7315 B11R1.16 COCC(=O)C1CCOCC1 34a_100138415774_100000689883 [0,1,0,1,0,0|2,0,0]=4 7316 B11R1.16 COCC(=O)N1CCCOC1 11a_100000131196_100000210968 [0,1,0,1,0,0|2,0,0]=4 7317 B11R1.16 COCC(=O)N1CCCOC1 240690a_100000131196_100000210968 [0,1,0,1,0,0|2,0,0]=4 7318 B11R1.16 CSCC(=O)C1C=CCCC1 1458a_100000184570_100000751183 [0,1,0,1,0,0|2,0,0]=4 7319 B11R1.16 CSCC(=O)C1CCCCC1 1458a_100000184570_100000210327 [0,1,0,1,0,0|2,0,0]=4 7320 B11R1.16 CSCC(=O)C1CCCCC1 62a_100000241979_200000210301 [0,1,0,1,0,0|2,0,0]=4 7321 B11R1.16 CSCC(=O)C1CCCCC1 62a_200000210301_100000241979 [0,1,0,1,0,0|2,0,0]=4 7322 B11R1.16 CSCC(=O)C1CCCOC1 1458a_100000184570_100000693364 [0,1,0,1,0,0|1,0,0]=3 7323 B11R1.16 CSCC(=O)C1CCOCC1 1458a_100000184570_100011324220 [0,1,0,1,0,0|2,0,0]=4 7324 B11R1.16 CSCC(=O)C1CCOCC1 62a_100000689883_200000210301 [0,1,0,1,0,0|2,0,0]=4 7325 B11R1.16 CSCC(=O)C1CCOCC1 62a_200000210301_100000689883 [0,1,0,1,0,0|2,0,0]=4 7326 B11R1.16 CSCC(=O)N1CCCOC1 11a_100000131196_100000184570 [0,1,0,1,0,0|2,0,0]=4 7327 B11R1.16 CSCC(=O)N1CCCOC1 240690a_100000131196_100000184570 [0,1,0,1,0,0|2,0,0]=4 7328 B11R1.16 N#CCC(=O)C1CCCCO1 1458a_100000748299_100011214920 [0,1,0,1,0,0|1,0,1]=4 7329 B11R1.16 N#CCC(=O)C1CCCOC1 1458a_100000741522_100011214920 [0,1,0,1,0,0|1,0,1]=4 7330 B11R1.16 N#CCC(=O)C1CCCOC1 1458a_100051588842_100000693364 [0,1,0,1,0,0|1,0,1]=4 7331 B11R1.16 N#CCC(=O)C1COCCO1 1458a_100000045528_100011214920 [0,1,0,1,0,0|1,0,1]=4 7332 B11R1.16 O=C(CCF)C1=CCCCO1 1458a_100000764163_100011217306 [0,1,0,1,0,0|1,0,1]=4 7333 B11R1.16 O=C(CCF)C1=COCCC1 1458a_100000749935_100011217306 [0,1,0,1,0,0|1,0,1]=4 7334 B11R1.16 O=C(CCF)C1CCCCC1 1458a_100000210647_100011217306 [0,1,0,1,0,0|2,0,0]=4 7335 B11R1.16 O=C(CCF)C1CCCCO1 1458a_100000748299_100011217306 [0,1,0,1,0,0|1,0,0]=3 7336 B11R1.16 O=C(CCF)C1CCCOC1 1458a_100000741522_100011217306 [0,1,0,1,0,0|1,0,0]=3 7337 B11R1.16 O=C(CCF)C1CCOCC1 1458a_100000195482_100011217306 [0,1,0,1,0,0|2,0,0]=4 7338 B11R1.16 O=C(CCF)C1CCSCC1 1458a_100000755232_100011217306 [0,1,0,1,0,0|2,0,0]=4 7339 B11R1.16 O=C(CCF)C1COCCO1 1458a_100000045528_100011217306 [0,1,0,1,0,0|1,0,0]=3 7340 B11R1.16 O=C(CCF)C1SCCCS1 1458a_100000028545_100011217306 [0,1,0,1,0,0|1,1,0]=4 7341 B11R1.16 O=C(CCO)C1=CCCCO1 1458a_100000764163_100000211926 [0,1,0,1,0,0|1,0,1]=4 7342 B11R1.16 O=C(CCO)C1=COCCC1 1458a_100000749935_100000211926 [0,1,0,1,0,0|1,0,1]=4 7343 B11R1.16 O=C(CCO)C1C=CCCC1 1458a_100011216618_100000751183 [0,1,0,1,0,0|2,0,0]=4 7344 B11R1.16 O=C(CCO)C1CCCCC1 1458a_100000210647_100000211926 [0,1,0,1,0,0|2,0,0]=4 7345 B11R1.16 O=C(CCO)C1CCCCC1 1458a_100011216618_100000210327 [0,1,0,1,0,0|2,0,0]=4 7346 B11R1.16 O=C(CCO)C1CCCCO1 1458a_100000748299_100000211926 [0,1,0,1,0,0|1,0,0]=3 7347 B11R1.16 O=C(CCO)C1CCCOC1 1458a_100000741522_100000211926 [0,1,0,1,0,0|1,0,0]=3 7348 B11R1.16 O=C(CCO)C1CCCOC1 1458a_100011216618_100000693364 [0,1,0,1,0,0|1,0,0]=3 7349 B11R1.16 O=C(CCO)C1CCOCC1 1458a_100000195482_100000211926 [0,1,0,1,0,0|2,0,0]=4 7350 B11R1.16 O=C(CCO)C1CCOCC1 1458a_100011216618_100011324220 [0,1,0,1,0,0|2,0,0]=4 7351 B11R1.16 O=C(CCO)C1CCSCC1 1458a_100000755232_100000211926 [0,1,0,1,0,0|2,0,0]=4 7352 B11R1.16 O=C(CCO)C1COCCO1 1458a_100000045528_100000211926 [0,1,0,1,0,0|1,0,0]=3 7353 B11R1.16 O=C(CCO)C1SCCCS1 1458a_100000028545_100000211926 [0,1,0,1,0,0|1,1,0]=4 7354 B11R1.16 O=C(CCO)N1CCCOC1 240690a_100000131196_100011216618 [0,1,0,1,0,0|2,0,0]=4 7355 B11R1.16 [13CH3]SCC(=O)C1CCCCC1 62a_100000241979_200025704644 [0,1,0,1,0,0|2,0,0]=4 7356 B11R1.16 [13CH3]SCC(=O)C1CCCCC1 62a_200025704644_100000241979 [0,1,0,1,0,0|2,0,0]=4 7357 B11R1.16 [13CH3]SCC(=O)C1CCOCC1 62a_100000689883_200025704644 [0,1,0,1,0,0|2,0,0]=4 7358 B11R1.16 [13CH3]SCC(=O)C1CCOCC1 62a_200025704644_100000689883 [0,1,0,1,0,0|2,0,0]=4 7359 B11R1.17 CCCNC1CCCNC1=O 2230a_100000747585_100000210303 [0,1,0,1,0,0|2,0,0]=4 7360 B11R1.17 CCCNC1CCCNC1=O 34a_100000747585_100000210303 [0,1,0,1,0,0|2,0,0]=4 7361 B11R1.17 CCCOC1CCCCC1=O 34a_100000210258_100000754470 [0,1,0,1,0,0|1,0,0]=3 7362 B11R1.17 CCCOC1CCCCC1=O 34a_100011214950_100000210303 [0,1,0,1,0,0|1,0,0]=3 7363 B11R1.17 CCCOC1CCCCC1O 34a_100000210258_100000038908 [0,1,0,1,0,0|1,0,1]=4 7364 B11R1.17 CCCOC1CCCNC1=O 34a_100000073722_100000210303 [0,1,0,1,0,0|2,0,0]=4 7365 B11R1.17 CCCOC1CCCNC1=O 34a_100000210258_100000687798 [0,1,0,1,0,0|2,0,0]=4 7366 B11R1.17 CCCOC1COCCC1=O 34a_100000210258_100012180262 [0,1,0,1,0,0|2,0,0]=4 7367 B11R1.17 CCCSC1CCCCC1=O 62a_100000204591_100000210303 [0,1,0,1,0,0|1,0,0]=3 7368 B11R1.17 CCCSC1CCCCC1=O 62a_100000210303_100000204591 [0,1,0,1,0,0|1,0,0]=3 7369 B11R1.17 CCCSC1CCCCC1O 62a_100000038908_100000210303 [0,1,0,1,0,0|1,0,1]=4 7370 B11R1.17 CCCSC1CCCCC1O 62a_100000210303_100000038908 [0,1,0,1,0,0|1,0,1]=4 7371 B11R1.17 CCCSC1CCCNC1=O 62a_100000210303_100000687798 [0,1,0,1,0,0|2,0,0]=4 7372 B11R1.17 CCCSC1CCCNC1=O 62a_100000687798_100000210303 [0,1,0,1,0,0|2,0,0]=4 7373 B11R1.17 CCCSC1COCCC1=O 62a_100000210303_100012180262 [0,1,0,1,0,0|2,0,0]=4 7374 B11R1.17 CCCSC1COCCC1=O 62a_100012180262_100000210303 [0,1,0,1,0,0|2,0,0]=4 7375 B11R1.17 CCNCC1CCCCC1O 34a_100011216029_100000210202 [0,1,0,1,0,0|1,0,1]=4 7376 B11R1.17 CCNN=C1CCCCC1O 4a_100000756455_100011214950 [0,1,0,1,0,0|2,0,0]=4 7377 B11R1.17 CCOCC1CCCCC1=O 34a_100009861125_100000210202 [0,1,0,1,0,0|1,0,0]=3 7378 B11R1.17 CCOCC1CCCCC1=O 7a_100009861125_100000210202 [0,1,0,1,0,0|1,0,0]=3 7379 B11R1.17 CNCCN1CCCCC1=O 2230a_100160573077_200000210301 [0,1,0,1,0,0|2,0,0]=4 7380 B11R1.17 CNCCN1CCCCC1=O 34a_100160573077_200000210301 [0,1,0,1,0,0|2,0,0]=4 7381 B11R1.17 COCCC1NCCNC1=O 34a_100000044719_200000210301 [0,1,0,1,0,0|2,0,0]=4 7382 B11R1.17 COCSC1CCCCC1=O 62a_100000204591_100000766300 [0,1,0,1,0,0|2,0,0]=4 7383 B11R1.17 COCSC1CCCCC1=O 62a_100000766300_100000204591 [0,1,0,1,0,0|2,0,0]=4 7384 B11R1.17 CSCOC1CCCCC1=O 34a_100011214950_100011218213 [0,1,0,1,0,0|2,0,0]=4 7385 B11R1.17 CSCSC1CCCCC1=O 62a_100000204591_100011218213 [0,1,0,1,0,0|2,0,0]=4 7386 B11R1.17 CSCSC1CCCCC1=O 62a_100011218213_100000204591 [0,1,0,1,0,0|2,0,0]=4 7387 B11R1.17 NCCOC1CCCCC1=O 34a_100000210304_100000754470 [0,1,0,1,0,0|2,0,0]=4 7388 B11R1.17 O=C1CCCCC1COCF 34a_100009861125_100015361967 [0,1,0,1,0,0|2,0,0]=4 7389 B11R1.17 O=C1CCCCC1COCF 7a_100009861125_100015361967 [0,1,0,1,0,0|2,0,0]=4 7390 B11R1.17 O=C1CCCCC1NCCF 34a_100000724931_100000754470 [0,1,0,1,0,0|2,0,0]=4 7391 B11R1.17 O=C1CCCCC1NCCO 34a_100016990907_100000754470 [0,1,0,1,0,0|2,0,0]=4 7392 B11R1.17 O=C1CCCCC1OCCBr 34a_100000211926_100000754470 [0,1,0,1,0,0|2,0,0]=4 7393 B11R1.17 O=C1CCCCC1OCCF 34a_100011214950_100011217306 [0,1,0,1,0,0|2,0,0]=4 7394 B11R1.17 O=C1CCCCC1OCCO 34a_100011214950_100000211926 [0,1,0,1,0,0|2,0,0]=4 7395 B11R1.17 O=C1CCCCC1SCCF 62a_100000204591_100011217306 [0,1,0,1,0,0|2,0,0]=4 7396 B11R1.17 O=C1CCCCC1SCCF 62a_100011217306_100000204591 [0,1,0,1,0,0|2,0,0]=4 7397 B11R1.17 O=C1CCCCC1SCCO 62a_100000204591_100000211926 [0,1,0,1,0,0|2,0,0]=4 7398 B11R1.17 O=C1CCCCC1SCCO 62a_100000211926_100000204591 [0,1,0,1,0,0|2,0,0]=4 7399 B11R1.17 [13CH3]NCCN1CCCCC1=O 2230a_100160573077_200025704644 [0,1,0,1,0,0|2,0,0]=4 7400 B11R1.17 [13CH3]NCCN1CCCCC1=O 34a_100160573077_200025704644 [0,1,0,1,0,0|2,0,0]=4 7401 B11R1.17 [13CH3]OCCC1NCCNC1=O 34a_100000044719_200025704644 [0,1,0,1,0,0|2,0,0]=4 7402 B11R1.29 C#CCCC(=O)C1CCCC1 1458a_100000210718_100000753159 [0,1,0,1,0,0|1,0,1]=4 7403 B11R1.29 C#CCCC(=O)C1CCCC1 1458a_100000692101_100000179811 [0,1,0,1,0,0|1,0,1]=4 7404 B11R1.29 C#CCCC(=O)C1CCCS1 1458a_100012002731_100000753159 [0,1,0,1,0,0|0,1,1]=4 7405 B11R1.29 C#CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000753159 [0,1,0,1,0,0|0,0,1]=3 7406 B11R1.29 C#CCNC(=O)[C@@H]1CCCO1 11a_100000212058_100000686382 [0,1,0,1,0,0|0,0,2]=4 7407 B11R1.29 C#CCNC(=O)[C@@H]1CCCO1 1626a_100000212058_100000686382 [0,1,0,1,0,0|0,0,2]=4 7408 B11R1.29 C#CCNC(=O)[C@@H]1CCCO1 240690a_100000212058_100000686382 [0,1,0,1,0,0|0,0,2]=4 7409 B11R1.29 C#CCNC(=O)[C@@H]1CCCO1 527a_100000212058_100000686382 [0,1,0,1,0,0|0,0,2]=4 7410 B11R1.29 C/C=C/CC(=O)C1CCCC1 1458a_100000210718_100102629194 [0,1,0,1,0,0|1,0,1]=4 7411 B11R1.29 C/C=C/CC(=O)C1CCCS1 1458a_100012002731_100102629194 [0,1,0,1,0,0|0,1,1]=4 7412 B11R1.29 C/C=C/CC(=O)[C@@H]1CCCO1 1458a_100000686382_100102629194 [0,1,0,1,0,0|0,0,1]=3 7413 B11R1.29 C=CCCC(=O)C1CCCC1 1458a_100000210718_100000754431 [0,1,0,1,0,0|1,0,1]=4 7414 B11R1.29 C=CCCC(=O)C1CCCC1 1458a_100000749702_100000179811 [0,1,0,1,0,0|1,0,1]=4 7415 B11R1.29 C=CCCC(=O)C1CCCS1 1458a_100012002731_100000754431 [0,1,0,1,0,0|0,1,1]=4 7416 B11R1.29 C=CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000754431 [0,1,0,1,0,0|0,0,1]=3 7417 B11R1.29 C=CCNC(=O)[C@@H]1CCCO1 1626a_100020586998_100000686382 [0,1,0,1,0,0|0,0,2]=4 7418 B11R1.29 C=CCNC(=O)[C@@H]1CCCO1 240690a_100020586998_100000686382 [0,1,0,1,0,0|0,0,2]=4 7419 B11R1.29 C=CCNC(=O)[C@@H]1CCCO1 527a_100020586998_100000686382 [0,1,0,1,0,0|0,0,2]=4 7420 B11R1.29 CC#CCC(=O)C1CCCC1 1458a_100000210718_100000748600 [0,1,0,1,0,0|1,0,1]=4 7421 B11R1.29 CC#CCC(=O)C1CCCS1 1458a_100012002731_100000748600 [0,1,0,1,0,0|0,1,1]=4 7422 B11R1.29 CC#CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000748600 [0,1,0,1,0,0|0,0,1]=3 7423 B11R1.29 CC=CCC(=O)C1CCCC1 1458a_100000210718_100000070051 [0,1,0,1,0,0|1,0,1]=4 7424 B11R1.29 CC=CCC(=O)C1CCCC1 1458a_100121576822_100000179811 [0,1,0,1,0,0|1,0,1]=4 7425 B11R1.29 CC=CCC(=O)C1CCCS1 1458a_100012002731_100000070051 [0,1,0,1,0,0|0,1,1]=4 7426 B11R1.29 CC=CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000070051 [0,1,0,1,0,0|0,0,1]=3 7427 B11R1.29 CC=NNC(=O)C1CCCO1 4a_100000189947_200000210099 [0,1,0,1,0,0|1,0,1]=4 7428 B11R1.29 CCC#CC(=O)C1CCCC1 1458a_100011827653_100000179811 [0,1,0,1,0,0|1,0,1]=4 7429 B11R1.29 CCC=CC(=O)C1CCCC1 1458a_100000212282_100000179811 [0,1,0,1,0,0|1,0,1]=4 7430 B11R1.29 CCCCC(=O)C1=CCCC1 1458a_100000038896_100000210211 [0,1,0,1,0,0|1,0,1]=4 7431 B11R1.29 CCCCC(=O)C1CCCC1 1458a_100000210183_100000179811 [0,1,0,1,0,0|1,0,0]=3 7432 B11R1.29 CCCCC(=O)C1CCCC1 1458a_100000210718_100000210211 [0,1,0,1,0,0|1,0,0]=3 7433 B11R1.29 CCCCC(=O)C1CCCS1 1458a_100012002731_100000210211 [0,1,0,1,0,0|0,1,0]=3 7434 B11R1.29 CCCCC(=O)C1CCOC1 1458a_100000210183_100000690089 [0,1,0,1,0,0|2,0,0]=4 7435 B11R1.29 CCCCC(=O)C1CCOC1 1458a_100011219752_100000210211 [0,1,0,1,0,0|2,0,0]=4 7436 B11R1.29 CCCCC(=O)N1CCCC1 240690a_100000188435_100000210183 [0,1,0,1,0,0|2,0,0]=4 7437 B11R1.29 CCCCC(=O)N1CCCC1 527a_100000188435_100000210183 [0,1,0,1,0,0|2,0,0]=4 7438 B11R1.29 CCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210211 [0,1,0,1,0,0|0,0,0]=2 7439 B11R1.29 CCCNC(=O)C1=CCCC1 11a_100020643023_100000038896 [0,1,0,1,0,0|1,0,1]=4 7440 B11R1.29 CCCNC(=O)C1=CCCC1 1626a_100020643023_100000038896 [0,1,0,1,0,0|1,0,1]=4 7441 B11R1.29 CCCNC(=O)C1=CCCC1 240690a_100020643023_100000038896 [0,1,0,1,0,0|1,0,1]=4 7442 B11R1.29 CCCNC(=O)C1CCCC1 11a_100020643023_100000210718 [0,1,0,1,0,0|1,0,0]=3 7443 B11R1.29 CCCNC(=O)C1CCCC1 1626a_100020643023_100000210718 [0,1,0,1,0,0|1,0,0]=3 7444 B11R1.29 CCCNC(=O)C1CCCC1 240690a_100020643023_100000210718 [0,1,0,1,0,0|1,0,0]=3 7445 B11R1.29 CCCNC(=O)C1CCCC1 527a_100020643023_100000210718 [0,1,0,1,0,0|1,0,0]=3 7446 B11R1.29 CCCNC(=O)C1CCCS1 11a_100020643023_100012002731 [0,1,0,1,0,0|0,1,0]=3 7447 B11R1.29 CCCNC(=O)C1CCCS1 1626a_100020643023_100012002731 [0,1,0,1,0,0|0,1,0]=3 7448 B11R1.29 CCCNC(=O)C1CCCS1 240690a_100020643023_100012002731 [0,1,0,1,0,0|0,1,0]=3 7449 B11R1.29 CCCNC(=O)C1CCCS1 527a_100020643023_100012002731 [0,1,0,1,0,0|0,1,0]=3 7450 B11R1.29 CCCNC(=O)C1CCOC1 11a_100020643023_100011219752 [0,1,0,1,0,0|2,0,0]=4 7451 B11R1.29 CCCNC(=O)C1CCOC1 1626a_100020643023_100011219752 [0,1,0,1,0,0|2,0,0]=4 7452 B11R1.29 CCCNC(=O)C1CCOC1 240690a_100020643023_100011219752 [0,1,0,1,0,0|2,0,0]=4 7453 B11R1.29 CCCNC(=O)C1CCOC1 527a_100020643023_100011219752 [0,1,0,1,0,0|2,0,0]=4 7454 B11R1.29 CCCNC(=O)N1CCCC1 2708a_100020643023_100000188435 [0,1,0,1,0,0|2,0,0]=4 7455 B11R1.29 CCCNC(=O)N1CCCC1 273464a_100020643023_100000188435 [0,1,0,1,0,0|2,0,0]=4 7456 B11R1.29 CCCNC(=O)[C@@H]1CCCO1 11a_100020643023_100000686382 [0,1,0,1,0,0|0,0,0]=2 7457 B11R1.29 CCCNC(=O)[C@@H]1CCCO1 1626a_100020643023_100000686382 [0,1,0,1,0,0|0,0,0]=2 7458 B11R1.29 CCCNC(=O)[C@@H]1CCCO1 240690a_100020643023_100000686382 [0,1,0,1,0,0|0,0,0]=2 7459 B11R1.29 CCCNC(=O)[C@@H]1CCCO1 527a_100020643023_100000686382 [0,1,0,1,0,0|0,0,0]=2 7460 B11R1.29 CCCNC(C)C1CCCO1 2230a_100025754208_100000210303 [0,1,0,1,0,0|1,0,1]=4 7461 B11R1.29 CCCNC(C)C1CCCO1 34a_100025754208_100000210303 [0,1,0,1,0,0|1,0,1]=4 7462 B11R1.29 CCNCC(=O)N1CCCC1 2230a_100000751844_100000210202 [0,1,0,1,0,0|2,0,0]=4 7463 B11R1.29 CCNCC(=O)N1CCCC1 2230a_100015525214_100000183516 [0,1,0,1,0,0|2,0,0]=4 7464 B11R1.29 CCNNC(=O)C1CCCC1 22a_100000756455_100000210718 [0,1,0,1,0,0|2,0,0]=4 7465 B11R1.29 CCNNC(=O)C1CCCS1 22a_100000756455_100012002731 [0,1,0,1,0,0|1,1,0]=4 7466 B11R1.29 CCNNC(=O)[C@@H]1CCCO1 22a_100000756455_100000686382 [0,1,0,1,0,0|1,0,0]=3 7467 B11R1.29 CCOCC(=O)C1CCCC1 1458a_100000211967_100000179811 [0,1,0,1,0,0|1,0,0]=3 7468 B11R1.29 CCOCC(=O)C1CCOC1 1458a_100000211967_100000690089 [0,1,0,1,0,0|2,0,0]=4 7469 B11R1.29 CCOCC(=O)N1CCCC1 240690a_100000188435_100000211967 [0,1,0,1,0,0|2,0,0]=4 7470 B11R1.29 CCOCC(=O)N1CCCC1 34a_100121572206_100000183516 [0,1,0,1,0,0|2,0,0]=4 7471 B11R1.29 CCOCC(=O)N1CCCC1 527a_100000188435_100000211967 [0,1,0,1,0,0|2,0,0]=4 7472 B11R1.29 CCOCC(=O)N1CCCC1 7a_200000752455_100000210202 [0,1,0,1,0,0|2,0,0]=4 7473 B11R1.29 CCSCC(=O)C1CCCC1 1458a_100000230394_100000179811 [0,1,0,1,0,0|1,0,0]=3 7474 B11R1.29 CCSCC(=O)C1CCOC1 1458a_100000230394_100000690089 [0,1,0,1,0,0|2,0,0]=4 7475 B11R1.29 CCSCC(=O)N1CCCC1 240690a_100000188435_100000230394 [0,1,0,1,0,0|2,0,0]=4 7476 B11R1.29 CCSCC(=O)N1CCCC1 527a_100000188435_100000230394 [0,1,0,1,0,0|2,0,0]=4 7477 B11R1.29 CCSCC(=O)N1CCCC1 62a_100000183516_100000210202 [0,1,0,1,0,0|2,0,0]=4 7478 B11R1.29 CCSCC(=O)N1CCCC1 62a_100000210202_100000183516 [0,1,0,1,0,0|2,0,0]=4 7479 B11R1.29 CNCCC(=O)N1CCCC1 2230a_106832991635_100011194422 [0,1,0,1,0,0|2,0,0]=4 7480 B11R1.29 CNCCC(=O)N1CCCC1 34a_100102657272_100011194422 [0,1,0,1,0,0|2,0,0]=4 7481 B11R1.29 CNCCC(=O)N1CCCC1 7a_106832991635_100011194422 [0,1,0,1,0,0|2,0,0]=4 7482 B11R1.29 COCCC(=O)C1=CCCC1 1458a_100000038896_100000233755 [0,1,0,1,0,0|1,0,1]=4 7483 B11R1.29 COCCC(=O)C1CCCC1 1458a_100000210718_100000233755 [0,1,0,1,0,0|1,0,0]=3 7484 B11R1.29 COCCC(=O)C1CCCC1 1458a_100000749529_100000179811 [0,1,0,1,0,0|1,0,0]=3 7485 B11R1.29 COCCC(=O)C1CCCS1 1458a_100012002731_100000233755 [0,1,0,1,0,0|0,1,0]=3 7486 B11R1.29 COCCC(=O)C1CCOC1 1458a_100000749529_100000690089 [0,1,0,1,0,0|2,0,0]=4 7487 B11R1.29 COCCC(=O)C1CCOC1 1458a_100011219752_100000233755 [0,1,0,1,0,0|2,0,0]=4 7488 B11R1.29 COCCC(=O)N1CCCC1 240690a_100000188435_100000749529 [0,1,0,1,0,0|2,0,0]=4 7489 B11R1.29 COCCC(=O)N1CCCC1 34a_100138415774_100011194422 [0,1,0,1,0,0|2,0,0]=4 7490 B11R1.29 COCCC(=O)N1CCCC1 527a_100000188435_100000749529 [0,1,0,1,0,0|2,0,0]=4 7491 B11R1.29 COCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000233755 [0,1,0,1,0,0|0,0,0]=2 7492 B11R1.29 CSCCC(=O)C1=CCCC1 1458a_100000038896_100000751147 [0,1,0,1,0,0|1,0,1]=4 7493 B11R1.29 CSCCC(=O)C1CCCC1 1458a_100000174002_100000179811 [0,1,0,1,0,0|1,0,0]=3 7494 B11R1.29 CSCCC(=O)C1CCCC1 1458a_100000210718_100000751147 [0,1,0,1,0,0|1,0,0]=3 7495 B11R1.29 CSCCC(=O)C1CCCS1 1458a_100012002731_100000751147 [0,1,0,1,0,0|0,1,0]=3 7496 B11R1.29 CSCCC(=O)C1CCOC1 1458a_100000174002_100000690089 [0,1,0,1,0,0|2,0,0]=4 7497 B11R1.29 CSCCC(=O)C1CCOC1 1458a_100011219752_100000751147 [0,1,0,1,0,0|2,0,0]=4 7498 B11R1.29 CSCCC(=O)N1CCCC1 240690a_100000188435_100000174002 [0,1,0,1,0,0|2,0,0]=4 7499 B11R1.29 CSCCC(=O)N1CCCC1 527a_100000188435_100000174002 [0,1,0,1,0,0|2,0,0]=4 7500 B11R1.29 CSCCC(=O)N1CCCC1 62a_100011194422_200000210301 [0,1,0,1,0,0|2,0,0]=4 7501 B11R1.29 CSCCC(=O)N1CCCC1 62a_200000210301_100011194422 [0,1,0,1,0,0|2,0,0]=4 7502 B11R1.29 CSCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000751147 [0,1,0,1,0,0|0,0,0]=2 7503 B11R1.29 N#CCCC(=O)C1CCCC1 1458a_100000210718_100011215226 [0,1,0,1,0,0|1,0,1]=4 7504 B11R1.29 N#CCCC(=O)C1CCCC1 1458a_100011934036_100000179811 [0,1,0,1,0,0|1,0,1]=4 7505 B11R1.29 N#CCCC(=O)C1CCCS1 1458a_100012002731_100011215226 [0,1,0,1,0,0|0,1,1]=4 7506 B11R1.29 N#CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100011215226 [0,1,0,1,0,0|0,0,1]=3 7507 B11R1.29 N#CCNC(=O)[C@@H]1CCCO1 1626a_100000734998_100000686382 [0,1,0,1,0,0|1,0,1]=4 7508 B11R1.29 N#CCNC(=O)[C@@H]1CCCO1 527a_100000734998_100000686382 [0,1,0,1,0,0|1,0,1]=4 7509 B11R1.29 O=C(CCCF)C1=CCCC1 1458a_100000038896_100011934791 [0,1,0,1,0,0|1,0,1]=4 7510 B11R1.29 O=C(CCCF)C1CCCC1 1458a_100000210718_100011934791 [0,1,0,1,0,0|1,0,0]=3 7511 B11R1.29 O=C(CCCF)C1CCCS1 1458a_100012002731_100011934791 [0,1,0,1,0,0|0,1,0]=3 7512 B11R1.29 O=C(CCCF)C1CCOC1 1458a_100011219752_100011934791 [0,1,0,1,0,0|2,0,0]=4 7513 B11R1.29 O=C(CCCF)[C@@H]1CCCO1 1458a_100000686382_100011934791 [0,1,0,1,0,0|0,0,0]=2 7514 B11R1.29 O=C(CCCO)C1=CCCC1 1458a_100000038896_100011215043 [0,1,0,1,0,0|1,0,1]=4 7515 B11R1.29 O=C(CCCO)C1CCCC1 1458a_100000210718_100011215043 [0,1,0,1,0,0|1,0,0]=3 7516 B11R1.29 O=C(CCCO)C1CCCS1 1458a_100012002731_100011215043 [0,1,0,1,0,0|0,1,0]=3 7517 B11R1.29 O=C(CCCO)C1CCOC1 1458a_100011219752_100011215043 [0,1,0,1,0,0|2,0,0]=4 7518 B11R1.29 O=C(CCCO)[C@@H]1CCCO1 1458a_100000686382_100011215043 [0,1,0,1,0,0|0,0,0]=2 7519 B11R1.29 O=C(NCCF)C1CCCC1 11a_100000724931_100000210718 [0,1,0,1,0,0|2,0,0]=4 7520 B11R1.29 O=C(NCCF)C1CCCC1 1626a_100000724931_100000210718 [0,1,0,1,0,0|2,0,0]=4 7521 B11R1.29 O=C(NCCF)C1CCCC1 240690a_100000724931_100000210718 [0,1,0,1,0,0|2,0,0]=4 7522 B11R1.29 O=C(NCCF)C1CCCC1 527a_100000724931_100000210718 [0,1,0,1,0,0|2,0,0]=4 7523 B11R1.29 O=C(NCCF)C1CCCS1 11a_100000724931_100012002731 [0,1,0,1,0,0|1,1,0]=4 7524 B11R1.29 O=C(NCCF)C1CCCS1 1626a_100000724931_100012002731 [0,1,0,1,0,0|1,1,0]=4 7525 B11R1.29 O=C(NCCF)C1CCCS1 240690a_100000724931_100012002731 [0,1,0,1,0,0|1,1,0]=4 7526 B11R1.29 O=C(NCCF)C1CCCS1 527a_100000724931_100012002731 [0,1,0,1,0,0|1,1,0]=4 7527 B11R1.29 O=C(NCCF)[C@@H]1CCCO1 11a_100000724931_100000686382 [0,1,0,1,0,0|1,0,0]=3 7528 B11R1.29 O=C(NCCF)[C@@H]1CCCO1 1626a_100000724931_100000686382 [0,1,0,1,0,0|1,0,0]=3 7529 B11R1.29 O=C(NCCF)[C@@H]1CCCO1 240690a_100000724931_100000686382 [0,1,0,1,0,0|1,0,0]=3 7530 B11R1.29 O=C(NCCF)[C@@H]1CCCO1 527a_100000724931_100000686382 [0,1,0,1,0,0|1,0,0]=3 7531 B11R1.29 O=C(NCCO)C1CCCC1 240690a_100000210304_100000210718 [0,1,0,1,0,0|2,0,0]=4 7532 B11R1.29 O=C(NCCO)C1CCCC1 527a_100000210304_100000210718 [0,1,0,1,0,0|2,0,0]=4 7533 B11R1.29 O=C(NCCO)C1CCCS1 240690a_100000210304_100012002731 [0,1,0,1,0,0|1,1,0]=4 7534 B11R1.29 O=C(NCCO)C1CCCS1 527a_100000210304_100012002731 [0,1,0,1,0,0|1,1,0]=4 7535 B11R1.29 O=C(NCCO)[C@@H]1CCCO1 240690a_100000210304_100000686382 [0,1,0,1,0,0|1,0,0]=3 7536 B11R1.29 O=C(NCCO)[C@@H]1CCCO1 527a_100000210304_100000686382 [0,1,0,1,0,0|1,0,0]=3 7537 B11R1.29 [13CH3]SCCC(=O)N1CCCC1 62a_100011194422_200025704644 [0,1,0,1,0,0|2,0,0]=4 7538 B11R1.29 [13CH3]SCCC(=O)N1CCCC1 62a_200025704644_100011194422 [0,1,0,1,0,0|2,0,0]=4 7539 B11R1.72 CCC1C(=O)N(CCN1C)C 2230a_100015184039_200000210301 [0,1,0,1,0,0|2,0,0]=4 7540 B11R1.72 CCC1C(=O)N(CCN1C)C 269982a_100015184039_200000210301 [0,1,0,1,0,0|2,0,0]=4 7541 B11R1.72 CCC1C(=O)N(CCN1C)C 34a_100015184039_200000210301 [0,1,0,1,0,0|2,0,0]=4 7542 B11R1.72 CCC1C(=O)N(CCN1[13CH3])C 2230a_100015184039_200025704644 [0,1,0,1,0,0|2,0,0]=4 7543 B11R1.72 CCC1C(=O)N(CCN1[13CH3])C 269982a_100015184039_200025704644 [0,1,0,1,0,0|2,0,0]=4 7544 B11R1.72 CCC1C(=O)N(CCN1[13CH3])C 34a_100015184039_200025704644 [0,1,0,1,0,0|2,0,0]=4 7545 B11R1.185 CCCN1CC(CC1=O)NC 2230a_100015185084_200000210301 [0,1,0,1,0,0|2,0,0]=4 7546 B11R1.185 CCCN1CC(CC1=O)NC 34a_100015185084_200000210301 [0,1,0,1,0,0|2,0,0]=4 7547 B11R1.185 CCCN1CC(CC1=O)N[13CH3] 2230a_100015185084_200025704644 [0,1,0,1,0,0|2,0,0]=4 7548 B11R1.185 CCCN1CC(CC1=O)N[13CH3] 34a_100015185084_200025704644 [0,1,0,1,0,0|2,0,0]=4 7549 B11R1.230 CCCOC1CC(OC1=O)C 34a_100000210258_200000216747 [0,1,0,1,0,0|2,0,0]=4 7550 B11R1.230 CCCSC1CC(OC1=O)C 62a_100000210303_200000216747 [0,1,0,1,0,0|2,0,0]=4 7551 B11R1.230 CCCSC1CC(OC1=O)C 62a_200000216747_100000210303 [0,1,0,1,0,0|2,0,0]=4 7552 B11R1.277 CCN1CC(=O)N(C[C@@H]1C)C 2230a_100016994881_100000210202 [0,1,0,1,0,0|2,0,0]=4 7553 B11R1.277 CCN1CC(=O)N(C[C@@H]1C)C 269982a_100016994881_100000204670 [0,1,0,1,0,0|2,0,0]=4 7554 B11R1.277 CCN1CC(=O)N(C[C@@H]1C)C 34a_100016994881_100000210202 [0,1,0,1,0,0|2,0,0]=4 7555 B11R1.282 C#CCCC(=O)C1CC1CC 1458a_200011661523_100000753159 [0,1,0,1,0,0|1,0,1]=4 7556 B11R1.282 C/C=C/CC(=O)C1CC1CC 1458a_200011661523_100102629194 [0,1,0,1,0,0|1,0,1]=4 7557 B11R1.282 C=CCCC(=O)C1CC1CC 1458a_200011661523_100000754431 [0,1,0,1,0,0|1,0,1]=4 7558 B11R1.282 CC#CCC(=O)C1CC1CC 1458a_200011661523_100000748600 [0,1,0,1,0,0|1,0,1]=4 7559 B11R1.282 CC=CCC(=O)C1CC1CC 1458a_200011661523_100000070051 [0,1,0,1,0,0|1,0,1]=4 7560 B11R1.282 CCC1CC1C(=O)CCC#N 1458a_200011661523_100011215226 [0,1,0,1,0,0|1,0,1]=4 7561 B11R1.282 CCC1CC1C(=O)CCCF 1458a_200011661523_100011934791 [0,1,0,1,0,0|1,0,0]=3 7562 B11R1.282 CCC1CC1C(=O)CCCO 1458a_200011661523_100011215043 [0,1,0,1,0,0|1,0,0]=3 7563 B11R1.282 CCC1CC1C(=O)CCOC 1458a_200011661523_100000233755 [0,1,0,1,0,0|1,0,0]=3 7564 B11R1.282 CCC1CC1C(=O)CCSC 1458a_200011661523_100000751147 [0,1,0,1,0,0|1,0,0]=3 7565 B11R1.282 CCC1CC1C(=O)NCCF 11a_100000724931_200011661523 [0,1,0,1,0,0|2,0,0]=4 7566 B11R1.282 CCC1CC1C(=O)NCCF 1626a_100000724931_200011661523 [0,1,0,1,0,0|2,0,0]=4 7567 B11R1.282 CCC1CC1C(=O)NCCF 240690a_100000724931_200011661523 [0,1,0,1,0,0|2,0,0]=4 7568 B11R1.282 CCC1CC1C(=O)NCCF 527a_100000724931_200011661523 [0,1,0,1,0,0|2,0,0]=4 7569 B11R1.282 CCC1CC1C(=O)NCCO 240690a_100000210304_200011661523 [0,1,0,1,0,0|2,0,0]=4 7570 B11R1.282 CCC1CC1C(=O)NCCO 527a_100000210304_200011661523 [0,1,0,1,0,0|2,0,0]=4 7571 B11R1.282 CCCCC(=O)C1CC1CC 1458a_200011661523_100000210211 [0,1,0,1,0,0|1,0,0]=3 7572 B11R1.282 CCCNC(=O)C1CC1CC 11a_100020643023_200011661523 [0,1,0,1,0,0|1,0,0]=3 7573 B11R1.282 CCCNC(=O)C1CC1CC 1626a_100020643023_200011661523 [0,1,0,1,0,0|1,0,0]=3 7574 B11R1.282 CCCNC(=O)C1CC1CC 240690a_100020643023_200011661523 [0,1,0,1,0,0|1,0,0]=3 7575 B11R1.282 CCCNC(=O)C1CC1CC 527a_100020643023_200011661523 [0,1,0,1,0,0|1,0,0]=3 7576 B11R1.282 CCNNC(=O)C1CC1CC 22a_100000756455_200011661523 [0,1,0,1,0,0|2,0,0]=4 7577 B11R1.287 C#CCCC(=O)C1CC(C1)C 1458a_100000686124_100000753159 [0,1,0,1,0,0|1,0,1]=4 7578 B11R1.287 C/C=C/CC(=O)C1CC(C1)C 1458a_100000686124_100102629194 [0,1,0,1,0,0|1,0,1]=4 7579 B11R1.287 C=CCCC(=O)C1CC(C1)C 1458a_100000686124_100000754431 [0,1,0,1,0,0|1,0,1]=4 7580 B11R1.287 CC#CCC(=O)C1CC(C1)C 1458a_100000686124_100000748600 [0,1,0,1,0,0|1,0,1]=4 7581 B11R1.287 CC1CC(C1)C(=O)CCC#N 1458a_100000686124_100011215226 [0,1,0,1,0,0|1,0,1]=4 7582 B11R1.287 CC1CC(C1)C(=O)CCCF 1458a_100000686124_100011934791 [0,1,0,1,0,0|1,0,0]=3 7583 B11R1.287 CC1CC(C1)C(=O)CCCO 1458a_100000686124_100011215043 [0,1,0,1,0,0|1,0,0]=3 7584 B11R1.287 CC1CC(C1)C(=O)NCCF 11a_100000724931_100000686124 [0,1,0,1,0,0|2,0,0]=4 7585 B11R1.287 CC1CC(C1)C(=O)NCCF 1626a_100000724931_100000686124 [0,1,0,1,0,0|2,0,0]=4 7586 B11R1.287 CC1CC(C1)C(=O)NCCF 240690a_100000724931_100000686124 [0,1,0,1,0,0|2,0,0]=4 7587 B11R1.287 CC1CC(C1)C(=O)NCCF 527a_100000724931_100000686124 [0,1,0,1,0,0|2,0,0]=4 7588 B11R1.287 CC1CC(C1)C(=O)NCCO 240690a_100000210304_100000686124 [0,1,0,1,0,0|2,0,0]=4 7589 B11R1.287 CC1CC(C1)C(=O)NCCO 527a_100000210304_100000686124 [0,1,0,1,0,0|2,0,0]=4 7590 B11R1.287 CC=CCC(=O)C1CC(C1)C 1458a_100000686124_100000070051 [0,1,0,1,0,0|1,0,1]=4 7591 B11R1.287 CCCCC(=O)C1CC(C1)C 1458a_100000686124_100000210211 [0,1,0,1,0,0|1,0,0]=3 7592 B11R1.287 CCCCC(=O)C1CC(C1)F 1458a_100000062598_100000210211 [0,1,0,1,0,0|2,0,0]=4 7593 B11R1.287 CCCCC(=O)C1CN(C1)C 1458a_100012002723_100000210211 [0,1,0,1,0,0|2,0,0]=4 7594 B11R1.287 CCCCC(=O)N1CC(C1)C 11a_100000702820_100000210183 [0,1,0,1,0,0|2,0,0]=4 7595 B11R1.287 CCCCC(=O)N1CC(C1)C 240690a_100000702820_100000210183 [0,1,0,1,0,0|2,0,0]=4 7596 B11R1.287 CCCCC(=O)N1CC(C1)C 527a_100000702820_100000210183 [0,1,0,1,0,0|2,0,0]=4 7597 B11R1.287 CCCCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210211 [0,1,0,1,0,0|2,0,0]=4 7598 B11R1.287 CCCNC(=O)C1CC(C1)C 11a_100020643023_100000686124 [0,1,0,1,0,0|1,0,0]=3 7599 B11R1.287 CCCNC(=O)C1CC(C1)C 1626a_100020643023_100000686124 [0,1,0,1,0,0|1,0,0]=3 7600 B11R1.287 CCCNC(=O)C1CC(C1)C 240690a_100020643023_100000686124 [0,1,0,1,0,0|1,0,0]=3 7601 B11R1.287 CCCNC(=O)C1CC(C1)C 527a_100020643023_100000686124 [0,1,0,1,0,0|1,0,0]=3 7602 B11R1.287 CCCNC(=O)C1CC(C1)F 11a_100020643023_100000062598 [0,1,0,1,0,0|2,0,0]=4 7603 B11R1.287 CCCNC(=O)C1CC(C1)F 1626a_100020643023_100000062598 [0,1,0,1,0,0|2,0,0]=4 7604 B11R1.287 CCCNC(=O)C1CC(C1)F 240690a_100020643023_100000062598 [0,1,0,1,0,0|2,0,0]=4 7605 B11R1.287 CCCNC(=O)C1CC(C1)F 527a_100020643023_100000062598 [0,1,0,1,0,0|2,0,0]=4 7606 B11R1.287 CCCNC(=O)C1CN(C1)C 240690a_100020643023_100012002723 [0,1,0,1,0,0|2,0,0]=4 7607 B11R1.287 CCCNC(=O)N1CC(C1)C 2708a_100020643023_100000702820 [0,1,0,1,0,0|2,0,0]=4 7608 B11R1.287 CCCNC(=O)N1CC(C1)C 273464a_100020643023_100000702820 [0,1,0,1,0,0|2,0,0]=4 7609 B11R1.287 CCCNC(=O)[C@H]1C[C@H](C1)O 240690a_100020643023_100015266633 [0,1,0,1,0,0|2,0,0]=4 7610 B11R1.287 CCCNC(=O)[C@H]1C[C@H](C1)O 527a_100020643023_100015266633 [0,1,0,1,0,0|2,0,0]=4 7611 B11R1.287 CCNNC(=O)C1CC(C1)C 22a_100000756455_100000686124 [0,1,0,1,0,0|2,0,0]=4 7612 B11R1.287 CCOCC(=O)N1CC(C1)C 11a_100000702820_100000211967 [0,1,0,1,0,0|2,0,0]=4 7613 B11R1.287 CCOCC(=O)N1CC(C1)C 240690a_100000702820_100000211967 [0,1,0,1,0,0|2,0,0]=4 7614 B11R1.287 CCOCC(=O)N1CC(C1)C 527a_100000702820_100000211967 [0,1,0,1,0,0|2,0,0]=4 7615 B11R1.287 CCSCC(=O)N1CC(C1)C 11a_100000702820_100000230394 [0,1,0,1,0,0|2,0,0]=4 7616 B11R1.287 CCSCC(=O)N1CC(C1)C 240690a_100000702820_100000230394 [0,1,0,1,0,0|2,0,0]=4 7617 B11R1.287 CCSCC(=O)N1CC(C1)C 527a_100000702820_100000230394 [0,1,0,1,0,0|2,0,0]=4 7618 B11R1.287 CN1CC(C1)C(=O)CCCF 1458a_100012002723_100011934791 [0,1,0,1,0,0|2,0,0]=4 7619 B11R1.287 CN1CC(C1)C(=O)CCCO 1458a_100012002723_100011215043 [0,1,0,1,0,0|2,0,0]=4 7620 B11R1.287 COCCC(=O)C1CC(C1)C 1458a_100000686124_100000233755 [0,1,0,1,0,0|1,0,0]=3 7621 B11R1.287 COCCC(=O)C1CC(C1)F 1458a_100000062598_100000233755 [0,1,0,1,0,0|2,0,0]=4 7622 B11R1.287 COCCC(=O)C1CN(C1)C 1458a_100012002723_100000233755 [0,1,0,1,0,0|2,0,0]=4 7623 B11R1.287 COCCC(=O)N1CC(C1)C 11a_100000702820_100000749529 [0,1,0,1,0,0|2,0,0]=4 7624 B11R1.287 COCCC(=O)N1CC(C1)C 240690a_100000702820_100000749529 [0,1,0,1,0,0|2,0,0]=4 7625 B11R1.287 COCCC(=O)N1CC(C1)C 527a_100000702820_100000749529 [0,1,0,1,0,0|2,0,0]=4 7626 B11R1.287 COCCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000233755 [0,1,0,1,0,0|2,0,0]=4 7627 B11R1.287 CSCCC(=O)C1CC(C1)C 1458a_100000686124_100000751147 [0,1,0,1,0,0|1,0,0]=3 7628 B11R1.287 CSCCC(=O)C1CC(C1)F 1458a_100000062598_100000751147 [0,1,0,1,0,0|2,0,0]=4 7629 B11R1.287 CSCCC(=O)C1CN(C1)C 1458a_100012002723_100000751147 [0,1,0,1,0,0|2,0,0]=4 7630 B11R1.287 CSCCC(=O)N1CC(C1)C 11a_100000702820_100000174002 [0,1,0,1,0,0|2,0,0]=4 7631 B11R1.287 CSCCC(=O)N1CC(C1)C 240690a_100000702820_100000174002 [0,1,0,1,0,0|2,0,0]=4 7632 B11R1.287 CSCCC(=O)N1CC(C1)C 527a_100000702820_100000174002 [0,1,0,1,0,0|2,0,0]=4 7633 B11R1.287 CSCCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000751147 [0,1,0,1,0,0|2,0,0]=4 7634 B11R1.287 O=C(CCCF)C1CC(C1)F 1458a_100000062598_100011934791 [0,1,0,1,0,0|2,0,0]=4 7635 B11R1.287 O=C(CCCF)[C@H]1C[C@H](C1)O 1458a_100015266633_100011934791 [0,1,0,1,0,0|2,0,0]=4 7636 B11R1.287 O=C(CCCO)C1CC(C1)F 1458a_100000062598_100011215043 [0,1,0,1,0,0|2,0,0]=4 7637 B11R1.287 O=C(CCCO)[C@H]1C[C@H](C1)O 1458a_100015266633_100011215043 [0,1,0,1,0,0|2,0,0]=4 7638 B11R1.349 CC(CCO)C(=O)C1CCC1 1458a_100000209988_100009893172 [0,1,0,1,0,0|2,0,0]=4 7639 B11R1.349 CC(CCO)C(=O)C1CCO1 1458a_100000089072_100009893172 [0,1,0,1,0,0|2,0,0]=4 7640 B11R1.349 CC(CCO)C(=O)C1COC1 1458a_100000758290_100009893172 [0,1,0,1,0,0|2,0,0]=4 7641 B11R1.349 CCCC(=O)N(C)C1CCC1 11a_100000758072_100000211992 [0,1,0,1,0,0|2,0,0]=4 7642 B11R1.349 CCCC(=O)N(C)C1CCC1 1626a_100000758072_100000211992 [0,1,0,1,0,0|2,0,0]=4 7643 B11R1.349 CCCC(=O)N(C)C1CCC1 240690a_100000758072_100000211992 [0,1,0,1,0,0|2,0,0]=4 7644 B11R1.349 CCCC(=O)N(C)C1CCC1 527a_100000758072_100000211992 [0,1,0,1,0,0|2,0,0]=4 7645 B11R1.349 CCCC(=O)N(C)C1COC1 11a_100102693430_100000211992 [0,1,0,1,0,0|2,0,0]=4 7646 B11R1.349 CCCC(=O)N(C)C1COC1 1626a_100102693430_100000211992 [0,1,0,1,0,0|2,0,0]=4 7647 B11R1.349 CCCC(=O)N(C)C1COC1 240690a_100102693430_100000211992 [0,1,0,1,0,0|2,0,0]=4 7648 B11R1.349 CCCC(=O)N(C)C1COC1 527a_100102693430_100000211992 [0,1,0,1,0,0|2,0,0]=4 7649 B11R1.349 CCCC(C)C(=O)C1CCC1 1458a_100000209988_100000766640 [0,1,0,1,0,0|1,0,0]=3 7650 B11R1.349 CCCC(C)C(=O)C1CCC1 1458a_100000210906_100000749161 [0,1,0,1,0,0|1,0,0]=3 7651 B11R1.349 CCCC(C)C(=O)C1CCO1 1458a_100000089072_100000766640 [0,1,0,1,0,0|1,0,0]=3 7652 B11R1.349 CCCC(C)C(=O)C1COC1 1458a_100000210906_100000687716 [0,1,0,1,0,0|1,0,0]=3 7653 B11R1.349 CCCC(C)C(=O)C1COC1 1458a_100000758290_100000766640 [0,1,0,1,0,0|1,0,0]=3 7654 B11R1.349 CCCC(C)C(=O)N1CCC1 11a_100000754969_100000210906 [0,1,0,1,0,0|1,0,0]=3 7655 B11R1.349 CCCC(C)C(=O)N1CCC1 240690a_100000754969_100000210906 [0,1,0,1,0,0|1,0,0]=3 7656 B11R1.349 CCCC(C)C(=O)N1CCC1 527a_100000754969_100000210906 [0,1,0,1,0,0|1,0,0]=3 7657 B11R1.349 CCCN(C)C(=O)C1CCC1 11a_100000747261_100000209988 [0,1,0,1,0,0|2,0,0]=4 7658 B11R1.349 CCCN(C)C(=O)C1CCC1 1626a_100000747261_100000209988 [0,1,0,1,0,0|2,0,0]=4 7659 B11R1.349 CCCN(C)C(=O)C1CCC1 240690a_100000747261_100000209988 [0,1,0,1,0,0|2,0,0]=4 7660 B11R1.349 CCCN(C)C(=O)C1CCC1 527a_100000747261_100000209988 [0,1,0,1,0,0|2,0,0]=4 7661 B11R1.349 CCCN(C)C(=O)C1CCO1 11a_100000747261_100000089072 [0,1,0,1,0,0|2,0,0]=4 7662 B11R1.349 CCCN(C)C(=O)C1CCO1 1626a_100000747261_100000089072 [0,1,0,1,0,0|2,0,0]=4 7663 B11R1.349 CCCN(C)C(=O)C1CCO1 240690a_100000747261_100000089072 [0,1,0,1,0,0|2,0,0]=4 7664 B11R1.349 CCCN(C)C(=O)C1CCO1 527a_100000747261_100000089072 [0,1,0,1,0,0|2,0,0]=4 7665 B11R1.349 CCCN(C)C(=O)C1COC1 11a_100000747261_100000758290 [0,1,0,1,0,0|2,0,0]=4 7666 B11R1.349 CCCN(C)C(=O)C1COC1 1626a_100000747261_100000758290 [0,1,0,1,0,0|2,0,0]=4 7667 B11R1.349 CCCN(C)C(=O)C1COC1 240690a_100000747261_100000758290 [0,1,0,1,0,0|2,0,0]=4 7668 B11R1.349 CCCN(C)C(=O)C1COC1 527a_100000747261_100000758290 [0,1,0,1,0,0|2,0,0]=4 7669 B11R1.349 CCC[C@H](O)C(=O)C1CCC1 1458a_100009822183_100000749161 [0,1,0,1,0,0|0,0,0]=2 7670 B11R1.349 CCC[C@H](O)C(=O)C1COC1 1458a_100009822183_100000687716 [0,1,0,1,0,0|0,0,0]=2 7671 B11R1.349 CCC[C@H](O)C(=O)N1CCC1 240690a_100000754969_100009822183 [0,1,0,1,0,0|0,0,0]=2 7672 B11R1.349 CCNC(=O)C(C)N1CCC1 269982a_100000754969_100000230173 [0,1,0,1,0,0|2,0,0]=4 7673 B11R1.349 CCOC(=O)C(C)N1CCC1 269982a_100000754969_100011216346 [0,1,0,1,0,0|2,0,0]=4 7674 B11R1.349 CCOC(=O)C(F)N1CCC1 269982a_100000754969_100000760018 [0,1,0,1,0,0|2,0,0]=4 7675 B11R1.349 CCOC(C)C(=O)C1CCC1 1458a_100000739345_100000749161 [0,1,0,1,0,0|2,0,0]=4 7676 B11R1.349 CCOC(C)C(=O)C1COC1 1458a_100000739345_100000687716 [0,1,0,1,0,0|2,0,0]=4 7677 B11R1.349 CCOC(C)C(=O)N1CCC1 11a_100000754969_100000739345 [0,1,0,1,0,0|2,0,0]=4 7678 B11R1.349 CCOC(C)C(=O)N1CCC1 240690a_100000754969_100000739345 [0,1,0,1,0,0|2,0,0]=4 7679 B11R1.349 CCOC(C)C(=O)N1CCC1 527a_100000754969_100000739345 [0,1,0,1,0,0|2,0,0]=4 7680 B11R1.349 CCSC(C)C(=O)C1CCC1 1458a_100000230601_100000749161 [0,1,0,1,0,0|2,0,0]=4 7681 B11R1.349 CCSC(C)C(=O)C1COC1 1458a_100000230601_100000687716 [0,1,0,1,0,0|2,0,0]=4 7682 B11R1.349 CCSC(C)C(=O)N1CCC1 11a_100000754969_100000230601 [0,1,0,1,0,0|2,0,0]=4 7683 B11R1.349 CCSC(C)C(=O)N1CCC1 240690a_100000754969_100000230601 [0,1,0,1,0,0|2,0,0]=4 7684 B11R1.349 CCSC(C)C(=O)N1CCC1 527a_100000754969_100000230601 [0,1,0,1,0,0|2,0,0]=4 7685 B11R1.349 COCC(C)C(=O)C1CCC1 1458a_100000209988_100000765312 [0,1,0,1,0,0|2,0,0]=4 7686 B11R1.349 COCC(C)C(=O)C1CCC1 1458a_100000751857_100000749161 [0,1,0,1,0,0|2,0,0]=4 7687 B11R1.349 COCC(C)C(=O)C1CCO1 1458a_100000089072_100000765312 [0,1,0,1,0,0|2,0,0]=4 7688 B11R1.349 COCC(C)C(=O)C1COC1 1458a_100000751857_100000687716 [0,1,0,1,0,0|2,0,0]=4 7689 B11R1.349 COCC(C)C(=O)C1COC1 1458a_100000758290_100000765312 [0,1,0,1,0,0|2,0,0]=4 7690 B11R1.349 COCC(C)C(=O)N1CCC1 11a_100000754969_100000751857 [0,1,0,1,0,0|2,0,0]=4 7691 B11R1.349 COCC(C)C(=O)N1CCC1 240690a_100000754969_100000751857 [0,1,0,1,0,0|2,0,0]=4 7692 B11R1.349 COCC(C)C(=O)N1CCC1 527a_100000754969_100000751857 [0,1,0,1,0,0|2,0,0]=4 7693 B11R1.349 CSCC(C)C(=O)C1CCC1 1458a_100000753918_100000749161 [0,1,0,1,0,0|2,0,0]=4 7694 B11R1.349 CSCC(C)C(=O)C1COC1 1458a_100000753918_100000687716 [0,1,0,1,0,0|2,0,0]=4 7695 B11R1.349 CSCC(C)C(=O)N1CCC1 11a_100000754969_100000753918 [0,1,0,1,0,0|2,0,0]=4 7696 B11R1.349 CSCC(C)C(=O)N1CCC1 240690a_100000754969_100000753918 [0,1,0,1,0,0|2,0,0]=4 7697 B11R1.349 CSCC(C)C(=O)N1CCC1 527a_100000754969_100000753918 [0,1,0,1,0,0|2,0,0]=4 7698 B11R1.351 CC(CCO)C(=O)CC1CC1 1458a_100000738066_100009893172 [0,1,0,1,0,0|2,0,0]=4 7699 B11R1.351 CCCC(=O)C(=O)NC1CC1 1458a_100000756273_100000210303 [0,1,0,1,0,0|0,0,2]=4 7700 B11R1.351 CCCC(=O)N(C)CC1CC1 11a_100000741881_100000211992 [0,1,0,1,0,0|2,0,0]=4 7701 B11R1.351 CCCC(=O)N(C)CC1CC1 1626a_100000741881_100000211992 [0,1,0,1,0,0|2,0,0]=4 7702 B11R1.351 CCCC(=O)N(C)CC1CC1 240690a_100000741881_100000211992 [0,1,0,1,0,0|2,0,0]=4 7703 B11R1.351 CCCC(=O)N(C)CC1CC1 527a_100000741881_100000211992 [0,1,0,1,0,0|2,0,0]=4 7704 B11R1.351 CCCC(C)C(=O)CC1CC1 1458a_100000210906_100000742324 [0,1,0,1,0,0|1,0,0]=3 7705 B11R1.351 CCCC(C)C(=O)CC1CC1 1458a_100000738066_100000766640 [0,1,0,1,0,0|1,0,0]=3 7706 B11R1.351 CCCC(C)C(=O)CC1CO1 1458a_100000210906_100011216344 [0,1,0,1,0,0|1,0,0]=3 7707 B11R1.351 CCCC(C)C(=O)CC1CS1 1458a_100000210906_100000031435 [0,1,0,1,0,0|1,0,0]=3 7708 B11R1.351 CCCC(C)C(=O)C[C@@H]1CO1 1458a_100000210906_100000745022 [0,1,0,1,0,0|1,0,0]=3 7709 B11R1.351 CCCC(C)C(=O)NC1CC1 1626a_100000212008_100000210906 [0,1,0,1,0,0|1,0,0]=3 7710 B11R1.351 CCCC(C)C(=O)NC1CC1 240690a_100000212008_100000210906 [0,1,0,1,0,0|1,0,0]=3 7711 B11R1.351 CCCC(C)C(=O)NC1CC1 527a_100000212008_100000210906 [0,1,0,1,0,0|1,0,0]=3 7712 B11R1.351 CCCN(C)C(=O)CC1CC1 11a_100000747261_100000738066 [0,1,0,1,0,0|2,0,0]=4 7713 B11R1.351 CCCN(C)C(=O)CC1CC1 1626a_100000747261_100000738066 [0,1,0,1,0,0|2,0,0]=4 7714 B11R1.351 CCCN(C)C(=O)CC1CC1 240690a_100000747261_100000738066 [0,1,0,1,0,0|2,0,0]=4 7715 B11R1.351 CCCN(C)C(=O)CC1CC1 527a_100000747261_100000738066 [0,1,0,1,0,0|2,0,0]=4 7716 B11R1.351 CCCN(C)C(=O)NC1CC1 2708a_100000212008_100000747261 [0,1,0,1,0,0|2,0,0]=4 7717 B11R1.351 CCCN(C)C(=O)NC1CC1 273464a_100000212008_100000747261 [0,1,0,1,0,0|2,0,0]=4 7718 B11R1.351 CCC[C@H](O)C(=O)CC1CC1 1458a_100009822183_100000742324 [0,1,0,1,0,0|0,0,0]=2 7719 B11R1.351 CCC[C@H](O)C(=O)CC1CO1 1458a_100009822183_100011216344 [0,1,0,1,0,0|0,0,0]=2 7720 B11R1.351 CCC[C@H](O)C(=O)CC1CS1 1458a_100009822183_100000031435 [0,1,0,1,0,0|0,0,0]=2 7721 B11R1.351 CCC[C@H](O)C(=O)C[C@@H]1CO1 1458a_100009822183_100000745022 [0,1,0,1,0,0|0,0,0]=2 7722 B11R1.351 CCC[C@H](O)C(=O)NC1CC1 240690a_100000212008_100009822183 [0,1,0,1,0,0|0,0,0]=2 7723 B11R1.351 CCNC(=O)C(C)NC1CC1 34a_100000212008_100000230173 [0,1,0,1,0,0|2,0,0]=4 7724 B11R1.351 CCNC(=O)C(C)NC1CC1 34a_100000736553_100000211595 [0,1,0,1,0,0|2,0,0]=4 7725 B11R1.351 CCNC(=O)C(C)SC1CC1 62a_100000230173_100000211595 [0,1,0,1,0,0|2,0,0]=4 7726 B11R1.351 CCNC(C)C(=O)NC1CC1 2230a_100015525214_100000179742 [0,1,0,1,0,0|2,0,0]=4 7727 B11R1.351 CCOC(=O)C(C)NC1CC1 34a_100000212008_100011216346 [0,1,0,1,0,0|2,0,0]=4 7728 B11R1.351 CCOC(=O)C(C)SC1CC1 62a_100011216346_100000211595 [0,1,0,1,0,0|2,0,0]=4 7729 B11R1.351 CCOC(=O)C(F)NC1CC1 34a_100000212008_100000760018 [0,1,0,1,0,0|2,0,0]=4 7730 B11R1.351 CCOC(=O)C(F)SC1CC1 62a_100000760018_100000211595 [0,1,0,1,0,0|2,0,0]=4 7731 B11R1.351 CCOC(C)C(=O)CC1CC1 1458a_100000739345_100000742324 [0,1,0,1,0,0|2,0,0]=4 7732 B11R1.351 CCOC(C)C(=O)CC1CO1 1458a_100000739345_100011216344 [0,1,0,1,0,0|2,0,0]=4 7733 B11R1.351 CCOC(C)C(=O)CC1CS1 1458a_100000739345_100000031435 [0,1,0,1,0,0|2,0,0]=4 7734 B11R1.351 CCOC(C)C(=O)C[C@@H]1CO1 1458a_100000739345_100000745022 [0,1,0,1,0,0|2,0,0]=4 7735 B11R1.351 CCOC(C)C(=O)NC1CC1 1626a_100000212008_100000739345 [0,1,0,1,0,0|2,0,0]=4 7736 B11R1.351 CCOC(C)C(=O)NC1CC1 240690a_100000212008_100000739345 [0,1,0,1,0,0|2,0,0]=4 7737 B11R1.351 CCOC(C)C(=O)NC1CC1 34a_100121572206_100000179742 [0,1,0,1,0,0|2,0,0]=4 7738 B11R1.351 CCOC(C)C(=O)NC1CC1 527a_100000212008_100000739345 [0,1,0,1,0,0|2,0,0]=4 7739 B11R1.351 CCSC(C)C(=O)CC1CC1 1458a_100000230601_100000742324 [0,1,0,1,0,0|2,0,0]=4 7740 B11R1.351 CCSC(C)C(=O)CC1CO1 1458a_100000230601_100011216344 [0,1,0,1,0,0|2,0,0]=4 7741 B11R1.351 CCSC(C)C(=O)CC1CS1 1458a_100000230601_100000031435 [0,1,0,1,0,0|2,0,0]=4 7742 B11R1.351 CCSC(C)C(=O)C[C@@H]1CO1 1458a_100000230601_100000745022 [0,1,0,1,0,0|2,0,0]=4 7743 B11R1.351 CCSC(C)C(=O)NC1CC1 1626a_100000212008_100000230601 [0,1,0,1,0,0|2,0,0]=4 7744 B11R1.351 CCSC(C)C(=O)NC1CC1 240690a_100000212008_100000230601 [0,1,0,1,0,0|2,0,0]=4 7745 B11R1.351 CCSC(C)C(=O)NC1CC1 527a_100000212008_100000230601 [0,1,0,1,0,0|2,0,0]=4 7746 B11R1.351 CCSC(C)C(=O)NC1CC1 62a_100000179742_100000210202 [0,1,0,1,0,0|2,0,0]=4 7747 B11R1.351 CCSC(C)C(=O)NC1CC1 62a_100000210202_100000179742 [0,1,0,1,0,0|2,0,0]=4 7748 B11R1.351 COCC(C)C(=O)CC1CC1 1458a_100000738066_100000765312 [0,1,0,1,0,0|2,0,0]=4 7749 B11R1.351 COCC(C)C(=O)CC1CC1 1458a_100000751857_100000742324 [0,1,0,1,0,0|2,0,0]=4 7750 B11R1.351 COCC(C)C(=O)CC1CO1 1458a_100000751857_100011216344 [0,1,0,1,0,0|2,0,0]=4 7751 B11R1.351 COCC(C)C(=O)CC1CS1 1458a_100000751857_100000031435 [0,1,0,1,0,0|2,0,0]=4 7752 B11R1.351 COCC(C)C(=O)C[C@@H]1CO1 1458a_100000751857_100000745022 [0,1,0,1,0,0|2,0,0]=4 7753 B11R1.351 COCC(C)C(=O)NC1CC1 1626a_100000212008_100000751857 [0,1,0,1,0,0|2,0,0]=4 7754 B11R1.351 COCC(C)C(=O)NC1CC1 240690a_100000212008_100000751857 [0,1,0,1,0,0|2,0,0]=4 7755 B11R1.351 COCC(C)C(=O)NC1CC1 527a_100000212008_100000751857 [0,1,0,1,0,0|2,0,0]=4 7756 B11R1.351 CSCC(C)C(=O)CC1CC1 1458a_100000753918_100000742324 [0,1,0,1,0,0|2,0,0]=4 7757 B11R1.351 CSCC(C)C(=O)CC1CO1 1458a_100000753918_100011216344 [0,1,0,1,0,0|2,0,0]=4 7758 B11R1.351 CSCC(C)C(=O)CC1CS1 1458a_100000753918_100000031435 [0,1,0,1,0,0|2,0,0]=4 7759 B11R1.351 CSCC(C)C(=O)C[C@@H]1CO1 1458a_100000753918_100000745022 [0,1,0,1,0,0|2,0,0]=4 7760 B11R1.351 CSCC(C)C(=O)NC1CC1 1626a_100000212008_100000753918 [0,1,0,1,0,0|2,0,0]=4 7761 B11R1.351 CSCC(C)C(=O)NC1CC1 240690a_100000212008_100000753918 [0,1,0,1,0,0|2,0,0]=4 7762 B11R1.351 CSCC(C)C(=O)NC1CC1 527a_100000212008_100000753918 [0,1,0,1,0,0|2,0,0]=4 7763 B11R1.384 CCN1CCCN(C(=O)C1)C 2230a_100000709885_100000210202 [0,1,0,1,0,0|2,0,0]=4 7764 B11R1.384 CCN1CCCN(C(=O)C1)C 269982a_100000709885_100000204670 [0,1,0,1,0,0|2,0,0]=4 7765 B11R1.384 CCN1CCCN(C(=O)C1)C 34a_100000709885_100000210202 [0,1,0,1,0,0|2,0,0]=4 7766 B11R1.526 CCCCC(=O)N(C)C1CC1 11a_100000226674_100000210183 [0,1,0,1,0,0|2,0,0]=4 7767 B11R1.526 CCCCC(=O)N(C)C1CC1 1626a_100000226674_100000210183 [0,1,0,1,0,0|2,0,0]=4 7768 B11R1.526 CCCCC(=O)N(C)C1CC1 240690a_100000226674_100000210183 [0,1,0,1,0,0|2,0,0]=4 7769 B11R1.526 CCCCC(=O)N(C)C1CC1 527a_100000226674_100000210183 [0,1,0,1,0,0|2,0,0]=4 7770 B11R1.526 CCCCC(C)C(=O)C1CC1 1458a_100000210395_200011215066 [0,1,0,1,0,0|1,0,0]=3 7771 B11R1.526 CCCCC(C)C(=O)C1CO1 1458a_100000701028_200011215066 [0,1,0,1,0,0|2,0,0]=4 7772 B11R1.526 CCCCN(C)C(=O)C1CC1 11a_100000207549_100000210395 [0,1,0,1,0,0|2,0,0]=4 7773 B11R1.526 CCCCN(C)C(=O)C1CC1 1626a_100000207549_100000210395 [0,1,0,1,0,0|2,0,0]=4 7774 B11R1.526 CCCCN(C)C(=O)C1CC1 240690a_100000207549_100000210395 [0,1,0,1,0,0|2,0,0]=4 7775 B11R1.526 CCCCN(C)C(=O)C1CC1 527a_100000207549_100000210395 [0,1,0,1,0,0|2,0,0]=4 7776 B11R1.526 CCCNC(=O)N(C)C1CC1 2708a_100020643023_100000226674 [0,1,0,1,0,0|2,0,0]=4 7777 B11R1.526 CCCNC(=O)N(C)C1CC1 273464a_100020643023_100000226674 [0,1,0,1,0,0|2,0,0]=4 7778 B11R1.526 CCOCC(=O)N(C)C1CC1 11a_100000226674_100000211967 [0,1,0,1,0,0|2,0,0]=4 7779 B11R1.526 CCOCC(=O)N(C)C1CC1 1626a_100000226674_100000211967 [0,1,0,1,0,0|2,0,0]=4 7780 B11R1.526 CCOCC(=O)N(C)C1CC1 240690a_100000226674_100000211967 [0,1,0,1,0,0|2,0,0]=4 7781 B11R1.526 CCOCC(=O)N(C)C1CC1 527a_100000226674_100000211967 [0,1,0,1,0,0|2,0,0]=4 7782 B11R1.526 CCSCC(=O)N(C)C1CC1 11a_100000226674_100000230394 [0,1,0,1,0,0|2,0,0]=4 7783 B11R1.526 CCSCC(=O)N(C)C1CC1 1626a_100000226674_100000230394 [0,1,0,1,0,0|2,0,0]=4 7784 B11R1.526 CCSCC(=O)N(C)C1CC1 240690a_100000226674_100000230394 [0,1,0,1,0,0|2,0,0]=4 7785 B11R1.526 CCSCC(=O)N(C)C1CC1 527a_100000226674_100000230394 [0,1,0,1,0,0|2,0,0]=4 7786 B11R1.526 CN(CCCO)C(=O)C1CC1 240690a_100000213112_100000210395 [0,1,0,1,0,0|2,0,0]=4 7787 B11R1.526 CN(CCCO)C(=O)C1CC1 527a_100000213112_100000210395 [0,1,0,1,0,0|2,0,0]=4 7788 B11R1.526 COCCC(=O)N(C)C1CC1 11a_100000226674_100000749529 [0,1,0,1,0,0|2,0,0]=4 7789 B11R1.526 COCCC(=O)N(C)C1CC1 1626a_100000226674_100000749529 [0,1,0,1,0,0|2,0,0]=4 7790 B11R1.526 COCCC(=O)N(C)C1CC1 240690a_100000226674_100000749529 [0,1,0,1,0,0|2,0,0]=4 7791 B11R1.526 COCCC(=O)N(C)C1CC1 527a_100000226674_100000749529 [0,1,0,1,0,0|2,0,0]=4 7792 B11R1.526 COCCN(C)C(=O)C1CC1 11a_100000743101_100000210395 [0,1,0,1,0,0|2,0,0]=4 7793 B11R1.526 COCCN(C)C(=O)C1CC1 1626a_100000743101_100000210395 [0,1,0,1,0,0|2,0,0]=4 7794 B11R1.526 COCCN(C)C(=O)C1CC1 240690a_100000743101_100000210395 [0,1,0,1,0,0|2,0,0]=4 7795 B11R1.526 COCCN(C)C(=O)C1CC1 527a_100000743101_100000210395 [0,1,0,1,0,0|2,0,0]=4 7796 B11R1.526 CSCCC(=O)N(C)C1CC1 11a_100000226674_100000174002 [0,1,0,1,0,0|2,0,0]=4 7797 B11R1.526 CSCCC(=O)N(C)C1CC1 1626a_100000226674_100000174002 [0,1,0,1,0,0|2,0,0]=4 7798 B11R1.526 CSCCC(=O)N(C)C1CC1 240690a_100000226674_100000174002 [0,1,0,1,0,0|2,0,0]=4 7799 B11R1.526 CSCCC(=O)N(C)C1CC1 527a_100000226674_100000174002 [0,1,0,1,0,0|2,0,0]=4 7800 B11R1.526 CSCCN(C)C(=O)C1CC1 11a_100000686725_100000210395 [0,1,0,1,0,0|2,0,0]=4 7801 B11R1.526 CSCCN(C)C(=O)C1CC1 1626a_100000686725_100000210395 [0,1,0,1,0,0|2,0,0]=4 7802 B11R1.526 CSCCN(C)C(=O)C1CC1 240690a_100000686725_100000210395 [0,1,0,1,0,0|2,0,0]=4 7803 B11R1.526 CSCCN(C)C(=O)C1CC1 527a_100000686725_100000210395 [0,1,0,1,0,0|2,0,0]=4 7804 B11R1.819 C#CCC(=O)C1(CCCC1)O 1458a_100000242637_100000184674 [0,1,0,1,0,0|0,0,2]=4 7805 B11R1.819 C#CCC(=O)C1(CCCO1)C 1458a_100000684770_100000184674 [0,1,0,1,0,0|0,0,2]=4 7806 B11R1.819 C=CCC(=O)C1(CCCC1)O 1458a_100000242637_100000210623 [0,1,0,1,0,0|0,0,2]=4 7807 B11R1.819 C=CCC(=O)C1(CCCO1)C 1458a_100000684770_100000210623 [0,1,0,1,0,0|0,0,2]=4 7808 B11R1.819 CC1(CCCC1)C(=O)CCF 1458a_100000239728_100011217306 [0,1,0,1,0,0|2,0,0]=4 7809 B11R1.819 CC1(CCCC1)C(=O)CCO 1458a_100000239728_100000211926 [0,1,0,1,0,0|2,0,0]=4 7810 B11R1.819 CC1(CCCO1)C(=O)CC#N 1458a_100000684770_100011214920 [0,1,0,1,0,0|1,0,1]=4 7811 B11R1.819 CC1(CCCO1)C(=O)CCF 1458a_100000684770_100011217306 [0,1,0,1,0,0|1,0,0]=3 7812 B11R1.819 CC1(CCCO1)C(=O)CCO 1458a_100000684770_100000211926 [0,1,0,1,0,0|1,0,0]=3 7813 B11R1.819 CCCC(=O)C1(CCCC1)C 1458a_100000239728_100000210303 [0,1,0,1,0,0|1,0,0]=3 7814 B11R1.819 CCCC(=O)C1(CCCC1)O 1458a_100000242637_100000210303 [0,1,0,1,0,0|0,0,0]=2 7815 B11R1.819 CCCC(=O)C1(CCCO1)C 1458a_100000684770_100000210303 [0,1,0,1,0,0|0,0,0]=2 7816 B11R1.819 CCNC(=O)C1(CCCC1)C 11a_100015525214_100000239728 [0,1,0,1,0,0|2,0,0]=4 7817 B11R1.819 CCNC(=O)C1(CCCC1)C 240690a_100015525214_100000239728 [0,1,0,1,0,0|2,0,0]=4 7818 B11R1.819 CCNC(=O)C1(CCCC1)C 527a_100015525214_100000239728 [0,1,0,1,0,0|2,0,0]=4 7819 B11R1.819 CCNC(=O)C1(CCCC1)O 240690a_100015525214_100000242637 [0,1,0,1,0,0|1,0,0]=3 7820 B11R1.819 CCNC(=O)C1(CCCC1)O 527a_100015525214_100000242637 [0,1,0,1,0,0|1,0,0]=3 7821 B11R1.819 CCNC(=O)C1(CCCO1)C 11a_100015525214_100000684770 [0,1,0,1,0,0|1,0,0]=3 7822 B11R1.819 CCNC(=O)C1(CCCO1)C 240690a_100015525214_100000684770 [0,1,0,1,0,0|1,0,0]=3 7823 B11R1.819 CCNC(=O)C1(CCCO1)C 527a_100015525214_100000684770 [0,1,0,1,0,0|1,0,0]=3 7824 B11R1.819 CNNC(=O)C1(CCCC1)O 22a_100016993582_100000242637 [0,1,0,1,0,0|2,0,0]=4 7825 B11R1.819 CNNC(=O)C1(CCCO1)C 22a_100016993582_100000684770 [0,1,0,1,0,0|2,0,0]=4 7826 B11R1.819 N#CCC(=O)C1(CCCC1)O 1458a_100000242637_100011214920 [0,1,0,1,0,0|1,0,1]=4 7827 B11R1.819 O=C(CCF)C1(CCCC1)O 1458a_100000242637_100011217306 [0,1,0,1,0,0|1,0,0]=3 7828 B11R1.819 O=C(CCO)C1(CCCC1)O 1458a_100000242637_100000211926 [0,1,0,1,0,0|1,0,0]=3 7829 B11R1.822 CCCC(=O)C1CC(C1)CO 1458a_206645079618_100000210303 [0,1,0,1,0,0|1,0,0]=3 7830 B11R1.822 CCCC(=O)C1CC(C1)OC 1458a_100011999411_100000210303 [0,1,0,1,0,0|1,0,0]=3 7831 B11R1.822 CCCC(=O)N1CC(C1)CC 11a_100015205115_100000211992 [0,1,0,1,0,0|2,0,0]=4 7832 B11R1.822 CCCC(=O)N1CC(C1)CC 1626a_100015205115_100000211992 [0,1,0,1,0,0|2,0,0]=4 7833 B11R1.822 CCCC(=O)N1CC(C1)CC 240690a_100015205115_100000211992 [0,1,0,1,0,0|2,0,0]=4 7834 B11R1.822 CCCC(=O)N1CC(C1)CC 527a_100015205115_100000211992 [0,1,0,1,0,0|2,0,0]=4 7835 B11R1.822 CCCC(=O)N1CC(C1)CF 11a_100010363649_100000211992 [0,1,0,1,0,0|2,0,0]=4 7836 B11R1.822 CCCC(=O)N1CC(C1)CF 240690a_100010363649_100000211992 [0,1,0,1,0,0|2,0,0]=4 7837 B11R1.822 CCCC(=O)N1CC(C1)CF 527a_100010363649_100000211992 [0,1,0,1,0,0|2,0,0]=4 7838 B11R1.822 CCCC(=O)N1CC(C1)CO 240690a_100016987283_100000211992 [0,1,0,1,0,0|2,0,0]=4 7839 B11R1.822 CCCC(=O)N1CC(C1)CO 527a_100016987283_100000211992 [0,1,0,1,0,0|2,0,0]=4 7840 B11R1.822 CCCC(=O)N1CC(C1)OC 11a_100000755009_100000211992 [0,1,0,1,0,0|2,0,0]=4 7841 B11R1.822 CCCC(=O)N1CC(C1)OC 1626a_100000755009_100000211992 [0,1,0,1,0,0|2,0,0]=4 7842 B11R1.822 CCCC(=O)N1CC(C1)OC 240690a_100000755009_100000211992 [0,1,0,1,0,0|2,0,0]=4 7843 B11R1.822 CCCC(=O)N1CC(C1)OC 527a_100000755009_100000211992 [0,1,0,1,0,0|2,0,0]=4 7844 B11R1.822 CCCC(=O)N1CC(C1)SC 11a_100016990038_100000211992 [0,1,0,1,0,0|2,0,0]=4 7845 B11R1.822 CCCC(=O)N1CC(C1)SC 1626a_100016990038_100000211992 [0,1,0,1,0,0|2,0,0]=4 7846 B11R1.822 CCCC(=O)N1CC(C1)SC 240690a_100016990038_100000211992 [0,1,0,1,0,0|2,0,0]=4 7847 B11R1.822 CCCC(=O)N1CC(C1)SC 527a_100016990038_100000211992 [0,1,0,1,0,0|2,0,0]=4 7848 B11R1.822 CCNC(=O)C1CC(C1)OC 11a_100015525214_100011999411 [0,1,0,1,0,0|2,0,0]=4 7849 B11R1.822 CCNC(=O)C1CC(C1)OC 240690a_100015525214_100011999411 [0,1,0,1,0,0|2,0,0]=4 7850 B11R1.822 CCNC(=O)C1CC(C1)OC 527a_100015525214_100011999411 [0,1,0,1,0,0|2,0,0]=4 7851 B11R1.822 CCOC(=O)C1CC(C1)OC 7a_100000093532_200000210301 [0,1,0,1,0,0|2,0,0]=4 7852 B11R1.822 CCOC(=O)C1CC(C1)O[13CH3] 7a_100000093532_200025704644 [0,1,0,1,0,0|2,0,0]=4 7853 B11R1.822 CCOC(=O)C1CN(C1)CC 269982a_100015188541_100000204670 [0,1,0,1,0,0|2,0,0]=4 7854 B11R1.822 COC1CC(C1)C(=O)CCF 1458a_100011999411_100011217306 [0,1,0,1,0,0|2,0,0]=4 7855 B11R1.822 COC1CC(C1)C(=O)CCO 1458a_100011999411_100000211926 [0,1,0,1,0,0|2,0,0]=4 7856 B11R1.822 O=C(CCF)C1CC(C1)CO 1458a_206645079618_100011217306 [0,1,0,1,0,0|2,0,0]=4 7857 B11R1.822 O=C(CCO)C1CC(C1)CO 1458a_206645079618_100000211926 [0,1,0,1,0,0|2,0,0]=4 7858 B11R1.996 C#CCCC(=O)C1(CCC1)C 1458a_100000684636_100000753159 [0,1,0,1,0,0|1,0,1]=4 7859 B11R1.996 C#CCCC(=O)C1(CCC1)O 1458a_100000242746_100000753159 [0,1,0,1,0,0|0,0,1]=3 7860 B11R1.996 C#CCCC(=O)C1(COC1)O 1458a_100010273515_100000753159 [0,1,0,1,0,0|1,0,1]=4 7861 B11R1.996 C#CCNC(=O)C1(CCC1)O 240690a_100000212058_100000242746 [0,1,0,1,0,0|0,0,2]=4 7862 B11R1.996 C/C=C/CC(=O)C1(CCC1)C 1458a_100000684636_100102629194 [0,1,0,1,0,0|1,0,1]=4 7863 B11R1.996 C/C=C/CC(=O)C1(CCC1)O 1458a_100000242746_100102629194 [0,1,0,1,0,0|0,0,1]=3 7864 B11R1.996 C/C=C/CC(=O)C1(COC1)O 1458a_100010273515_100102629194 [0,1,0,1,0,0|1,0,1]=4 7865 B11R1.996 C=CCCC(=O)C1(CCC1)C 1458a_100000684636_100000754431 [0,1,0,1,0,0|1,0,1]=4 7866 B11R1.996 C=CCCC(=O)C1(CCC1)O 1458a_100000242746_100000754431 [0,1,0,1,0,0|0,0,1]=3 7867 B11R1.996 C=CCCC(=O)C1(COC1)O 1458a_100010273515_100000754431 [0,1,0,1,0,0|1,0,1]=4 7868 B11R1.996 C=CCNC(=O)C1(CCC1)O 240690a_100020586998_100000242746 [0,1,0,1,0,0|0,0,2]=4 7869 B11R1.996 CC#CCC(=O)C1(CCC1)C 1458a_100000684636_100000748600 [0,1,0,1,0,0|1,0,1]=4 7870 B11R1.996 CC#CCC(=O)C1(CCC1)O 1458a_100000242746_100000748600 [0,1,0,1,0,0|0,0,1]=3 7871 B11R1.996 CC#CCC(=O)C1(COC1)O 1458a_100010273515_100000748600 [0,1,0,1,0,0|1,0,1]=4 7872 B11R1.996 CC1(CCC1)C(=O)CCC#N 1458a_100000684636_100011215226 [0,1,0,1,0,0|1,0,1]=4 7873 B11R1.996 CC1(CCC1)C(=O)CCCF 1458a_100000684636_100011934791 [0,1,0,1,0,0|1,0,0]=3 7874 B11R1.996 CC1(CCC1)C(=O)CCCO 1458a_100000684636_100011215043 [0,1,0,1,0,0|1,0,0]=3 7875 B11R1.996 CC1(CCC1)C(=O)NCCF 11a_100000724931_100000684636 [0,1,0,1,0,0|2,0,0]=4 7876 B11R1.996 CC1(CCC1)C(=O)NCCF 1626a_100000724931_100000684636 [0,1,0,1,0,0|2,0,0]=4 7877 B11R1.996 CC1(CCC1)C(=O)NCCF 240690a_100000724931_100000684636 [0,1,0,1,0,0|2,0,0]=4 7878 B11R1.996 CC1(CCC1)C(=O)NCCF 527a_100000724931_100000684636 [0,1,0,1,0,0|2,0,0]=4 7879 B11R1.996 CC1(CCC1)C(=O)NCCO 240690a_100000210304_100000684636 [0,1,0,1,0,0|2,0,0]=4 7880 B11R1.996 CC1(CCC1)C(=O)NCCO 527a_100000210304_100000684636 [0,1,0,1,0,0|2,0,0]=4 7881 B11R1.996 CC1(COC1)C(=O)CCCF 1458a_100000094709_100011934791 [0,1,0,1,0,0|2,0,0]=4 7882 B11R1.996 CC1(COC1)C(=O)CCCO 1458a_100000094709_100011215043 [0,1,0,1,0,0|2,0,0]=4 7883 B11R1.996 CC=CCC(=O)C1(CCC1)C 1458a_100000684636_100000070051 [0,1,0,1,0,0|1,0,1]=4 7884 B11R1.996 CC=CCC(=O)C1(CCC1)O 1458a_100000242746_100000070051 [0,1,0,1,0,0|0,0,1]=3 7885 B11R1.996 CC=CCC(=O)C1(COC1)O 1458a_100010273515_100000070051 [0,1,0,1,0,0|1,0,1]=4 7886 B11R1.996 CCCCC(=O)C1(CCC1)C 1458a_100000684636_100000210211 [0,1,0,1,0,0|1,0,0]=3 7887 B11R1.996 CCCCC(=O)C1(CCC1)O 1458a_100000242746_100000210211 [0,1,0,1,0,0|0,0,0]=2 7888 B11R1.996 CCCCC(=O)C1(COC1)C 1458a_100000094709_100000210211 [0,1,0,1,0,0|2,0,0]=4 7889 B11R1.996 CCCCC(=O)C1(COC1)O 1458a_100010273515_100000210211 [0,1,0,1,0,0|1,0,0]=3 7890 B11R1.996 CCCNC(=O)C1(CCC1)C 11a_100020643023_100000684636 [0,1,0,1,0,0|1,0,0]=3 7891 B11R1.996 CCCNC(=O)C1(CCC1)C 1626a_100020643023_100000684636 [0,1,0,1,0,0|1,0,0]=3 7892 B11R1.996 CCCNC(=O)C1(CCC1)C 240690a_100020643023_100000684636 [0,1,0,1,0,0|1,0,0]=3 7893 B11R1.996 CCCNC(=O)C1(CCC1)C 527a_100020643023_100000684636 [0,1,0,1,0,0|1,0,0]=3 7894 B11R1.996 CCCNC(=O)C1(CCC1)O 240690a_100020643023_100000242746 [0,1,0,1,0,0|0,0,0]=2 7895 B11R1.996 CCCNC(=O)C1(COC1)C 11a_100020643023_100000094709 [0,1,0,1,0,0|2,0,0]=4 7896 B11R1.996 CCCNC(=O)C1(COC1)C 1626a_100020643023_100000094709 [0,1,0,1,0,0|2,0,0]=4 7897 B11R1.996 CCCNC(=O)C1(COC1)C 527a_100020643023_100000094709 [0,1,0,1,0,0|2,0,0]=4 7898 B11R1.996 CCCNC(=O)C1(COC1)O 240690a_100020643023_100010273515 [0,1,0,1,0,0|1,0,0]=3 7899 B11R1.996 CCNNC(=O)C1(CCC1)C 22a_100000756455_100000684636 [0,1,0,1,0,0|2,0,0]=4 7900 B11R1.996 CCNNC(=O)C1(CCC1)O 22a_100000756455_100000242746 [0,1,0,1,0,0|1,0,0]=3 7901 B11R1.996 CCNNC(=O)C1(COC1)O 22a_100000756455_100010273515 [0,1,0,1,0,0|2,0,0]=4 7902 B11R1.996 COCCC(=O)C1(CCC1)C 1458a_100000684636_100000233755 [0,1,0,1,0,0|1,0,0]=3 7903 B11R1.996 COCCC(=O)C1(CCC1)O 1458a_100000242746_100000233755 [0,1,0,1,0,0|0,0,0]=2 7904 B11R1.996 COCCC(=O)C1(COC1)C 1458a_100000094709_100000233755 [0,1,0,1,0,0|2,0,0]=4 7905 B11R1.996 COCCC(=O)C1(COC1)O 1458a_100010273515_100000233755 [0,1,0,1,0,0|1,0,0]=3 7906 B11R1.996 CSCCC(=O)C1(CCC1)C 1458a_100000684636_100000751147 [0,1,0,1,0,0|1,0,0]=3 7907 B11R1.996 CSCCC(=O)C1(CCC1)O 1458a_100000242746_100000751147 [0,1,0,1,0,0|0,0,0]=2 7908 B11R1.996 CSCCC(=O)C1(COC1)C 1458a_100000094709_100000751147 [0,1,0,1,0,0|2,0,0]=4 7909 B11R1.996 CSCCC(=O)C1(COC1)O 1458a_100010273515_100000751147 [0,1,0,1,0,0|1,0,0]=3 7910 B11R1.996 N#CCCC(=O)C1(CCC1)O 1458a_100000242746_100011215226 [0,1,0,1,0,0|0,0,1]=3 7911 B11R1.996 N#CCCC(=O)C1(COC1)O 1458a_100010273515_100011215226 [0,1,0,1,0,0|1,0,1]=4 7912 B11R1.996 O=C(CCCF)C1(CCC1)O 1458a_100000242746_100011934791 [0,1,0,1,0,0|0,0,0]=2 7913 B11R1.996 O=C(CCCF)C1(COC1)O 1458a_100010273515_100011934791 [0,1,0,1,0,0|1,0,0]=3 7914 B11R1.996 O=C(CCCO)C1(CCC1)O 1458a_100000242746_100011215043 [0,1,0,1,0,0|0,0,0]=2 7915 B11R1.996 O=C(CCCO)C1(COC1)O 1458a_100010273515_100011215043 [0,1,0,1,0,0|1,0,0]=3 7916 B11R1.996 O=C(NCCF)C1(CCC1)O 240690a_100000724931_100000242746 [0,1,0,1,0,0|1,0,0]=3 7917 B11R1.996 O=C(NCCF)C1(COC1)O 240690a_100000724931_100010273515 [0,1,0,1,0,0|2,0,0]=4 7918 B11R1.996 O=C(NCCO)C1(CCC1)O 240690a_100000210304_100000242746 [0,1,0,1,0,0|1,0,0]=3 7919 B11R1.996 O=C(NCCO)C1(COC1)O 240690a_100000210304_100010273515 [0,1,0,1,0,0|2,0,0]=4 7920 B11R1.1460 CC(CCO)C(=O)C1CC1C 1458a_100000211227_100009893172 [0,1,0,1,0,0|2,0,0]=4 7921 B11R1.1460 CC(CCO)C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100009893172 [0,1,0,1,0,0|2,0,0]=4 7922 B11R1.1460 CCCC(C)C(=O)C1CC1C 1458a_100000211227_100000766640 [0,1,0,1,0,0|1,0,0]=3 7923 B11R1.1460 CCCC(C)C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000766640 [0,1,0,1,0,0|1,0,0]=3 7924 B11R1.1460 CCCN(C)C(=O)C1CC1C 11a_100000747261_100000211227 [0,1,0,1,0,0|2,0,0]=4 7925 B11R1.1460 CCCN(C)C(=O)C1CC1C 1626a_100000747261_100000211227 [0,1,0,1,0,0|2,0,0]=4 7926 B11R1.1460 CCCN(C)C(=O)C1CC1C 527a_100000747261_100000211227 [0,1,0,1,0,0|2,0,0]=4 7927 B11R1.1460 CCCN(C)C(=O)[C@@H]1C[C@@H]1F 11a_100000747261_100015396687 [0,1,0,1,0,0|2,0,0]=4 7928 B11R1.1460 CCCN(C)C(=O)[C@@H]1C[C@@H]1F 240690a_100000747261_100015396687 [0,1,0,1,0,0|2,0,0]=4 7929 B11R1.1460 CCCN(C)C(=O)[C@@H]1C[C@@H]1F 527a_100000747261_100015396687 [0,1,0,1,0,0|2,0,0]=4 7930 B11R1.1460 COCC(C)C(=O)C1CC1C 1458a_100000211227_100000765312 [0,1,0,1,0,0|2,0,0]=4 7931 B11R1.1460 COCC(C)C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000765312 [0,1,0,1,0,0|2,0,0]=4 7932 B11R1.77 C=C(C)CC(=O)C1CCCC1 1458a_100000210718_100000748629 [0,1,0,1,0,0|1,0,1]=4 7933 B11R1.77 C=C(C)CC(=O)C1CCCS1 1458a_100012002731_100000748629 [0,1,0,1,0,0|0,1,1]=4 7934 B11R1.77 C=C(C)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000748629 [0,1,0,1,0,0|0,0,1]=3 7935 B11R1.77 C=C(F)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100009893438 [0,1,0,1,0,0|0,0,2]=4 7936 B11R1.77 CC(C)CC(=O)C1=CCCC1 1458a_100000038896_100000210624 [0,1,0,1,0,0|1,0,1]=4 7937 B11R1.77 CC(C)CC(=O)C1CCCC1 1458a_100000210554_100000179811 [0,1,0,1,0,0|1,0,0]=3 7938 B11R1.77 CC(C)CC(=O)C1CCCC1 1458a_100000210718_100000210624 [0,1,0,1,0,0|1,0,0]=3 7939 B11R1.77 CC(C)CC(=O)C1CCCS1 1458a_100012002731_100000210624 [0,1,0,1,0,0|0,1,0]=3 7940 B11R1.77 CC(C)CC(=O)C1CCOC1 1458a_100000210554_100000690089 [0,1,0,1,0,0|2,0,0]=4 7941 B11R1.77 CC(C)CC(=O)C1CCOC1 1458a_100011219752_100000210624 [0,1,0,1,0,0|2,0,0]=4 7942 B11R1.77 CC(C)CC(=O)N1CCCC1 240690a_100000188435_100000210554 [0,1,0,1,0,0|2,0,0]=4 7943 B11R1.77 CC(C)CC(=O)N1CCCC1 527a_100000188435_100000210554 [0,1,0,1,0,0|2,0,0]=4 7944 B11R1.77 CC(C)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210624 [0,1,0,1,0,0|0,0,0]=2 7945 B11R1.77 CC(C)NC(=O)C1CCCC1 11a_100138425928_100000210718 [0,1,0,1,0,0|2,0,0]=4 7946 B11R1.77 CC(C)NC(=O)C1CCCC1 1626a_100138425928_100000210718 [0,1,0,1,0,0|2,0,0]=4 7947 B11R1.77 CC(C)NC(=O)C1CCCC1 240690a_100138425928_100000210718 [0,1,0,1,0,0|2,0,0]=4 7948 B11R1.77 CC(C)NC(=O)C1CCCC1 527a_100138425928_100000210718 [0,1,0,1,0,0|2,0,0]=4 7949 B11R1.77 CC(C)NC(=O)C1CCCS1 11a_100138425928_100012002731 [0,1,0,1,0,0|1,1,0]=4 7950 B11R1.77 CC(C)NC(=O)C1CCCS1 1626a_100138425928_100012002731 [0,1,0,1,0,0|1,1,0]=4 7951 B11R1.77 CC(C)NC(=O)C1CCCS1 240690a_100138425928_100012002731 [0,1,0,1,0,0|1,1,0]=4 7952 B11R1.77 CC(C)NC(=O)C1CCCS1 527a_100138425928_100012002731 [0,1,0,1,0,0|1,1,0]=4 7953 B11R1.77 CC(C)NC(=O)[C@@H]1CCCO1 11a_100138425928_100000686382 [0,1,0,1,0,0|1,0,0]=3 7954 B11R1.77 CC(C)NC(=O)[C@@H]1CCCO1 1626a_100138425928_100000686382 [0,1,0,1,0,0|1,0,0]=3 7955 B11R1.77 CC(C)NC(=O)[C@@H]1CCCO1 240690a_100138425928_100000686382 [0,1,0,1,0,0|1,0,0]=3 7956 B11R1.77 CC(C)NC(=O)[C@@H]1CCCO1 527a_100138425928_100000686382 [0,1,0,1,0,0|1,0,0]=3 7957 B11R1.77 CC(O)CC(=O)C1=CCCC1 1458a_100000038896_100011218427 [0,1,0,1,0,0|1,0,1]=4 7958 B11R1.77 CC(O)CC(=O)C1CCCC1 1458a_100000210718_100011218427 [0,1,0,1,0,0|1,0,0]=3 7959 B11R1.77 CC(O)CC(=O)C1CCCS1 1458a_100012002731_100011218427 [0,1,0,1,0,0|0,1,0]=3 7960 B11R1.77 CC(O)CC(=O)C1CCOC1 1458a_100011219752_100011218427 [0,1,0,1,0,0|2,0,0]=4 7961 B11R1.77 CC(O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100011218427 [0,1,0,1,0,0|0,0,0]=2 7962 B11R1.77 CN(C)CC(=O)C1CCCC1 1458a_100000750896_100000179811 [0,1,0,1,0,0|2,0,0]=4 7963 B11R1.77 C[C@@H](O)CC(=O)C1CCCC1 1458a_100011933948_100000179811 [0,1,0,1,0,0|1,0,0]=3 7964 B11R1.77 C[C@@H](O)CC(=O)C1CCOC1 1458a_100011933948_100000690089 [0,1,0,1,0,0|2,0,0]=4 7965 B11R1.77 C[C@@H](O)CC(=O)N1CCCC1 240690a_100000188435_100011933948 [0,1,0,1,0,0|2,0,0]=4 7966 B11R1.77 C[S+](C)CC(=O)C1CCCC1 1458a_200159257847_100000179811 [0,1,0,1,0,0|2,0,0]=4 7967 B11R1.77 NC(=O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000187820 [0,1,0,1,0,0|1,0,1]=4 7968 B11R1.77 O=C(CC(F)F)C1CCCC1 1458a_100000210718_100011934356 [0,1,0,1,0,0|2,0,0]=4 7969 B11R1.77 O=C(CC(F)F)C1CCCS1 1458a_100012002731_100011934356 [0,1,0,1,0,0|1,1,0]=4 7970 B11R1.77 O=C(CC(F)F)[C@@H]1CCCO1 1458a_100000686382_100011934356 [0,1,0,1,0,0|1,0,0]=3 7971 B11R1.77 O=C(C[N+](=O)[O-])[C@@H]1CCCO1 1458a_100000686382_100000761209 [0,1,0,1,0,0|2,0,0]=4 7972 B11R1.77 O=C([O-])CC(=O)[C@@H]1CCCO1 1458a_100000686382_100020667443 [0,1,0,1,0,0|1,0,1]=4 7973 B11R1.86 CC(C)NC1CCCCC1=O 34a_100138425928_100000754470 [0,1,0,1,0,0|2,0,0]=4 7974 B11R1.86 CC(C)OC1CCCCC1=O 34a_100000212225_100000754470 [0,1,0,1,0,0|2,0,0]=4 7975 B11R1.86 CC(C)OC1CCCCC1=O 34a_100011214950_100000210206 [0,1,0,1,0,0|2,0,0]=4 7976 B11R1.86 CC(C)SC1CCCCC1=O 62a_100000204591_100000210206 [0,1,0,1,0,0|2,0,0]=4 7977 B11R1.86 CC(C)SC1CCCCC1=O 62a_100000210206_100000204591 [0,1,0,1,0,0|2,0,0]=4 7978 B11R1.152 C=C(C)CC(=O)C1CC(C1)C 1458a_100000686124_100000748629 [0,1,0,1,0,0|1,0,1]=4 7979 B11R1.152 CC(C)CC(=O)C1CC(C1)C 1458a_100000686124_100000210624 [0,1,0,1,0,0|1,0,0]=3 7980 B11R1.152 CC(C)CC(=O)C1CC(C1)F 1458a_100000062598_100000210624 [0,1,0,1,0,0|2,0,0]=4 7981 B11R1.152 CC(C)CC(=O)C1CN(C1)C 1458a_100012002723_100000210624 [0,1,0,1,0,0|2,0,0]=4 7982 B11R1.152 CC(C)CC(=O)N1CC(C1)C 11a_100000702820_100000210554 [0,1,0,1,0,0|2,0,0]=4 7983 B11R1.152 CC(C)CC(=O)N1CC(C1)C 240690a_100000702820_100000210554 [0,1,0,1,0,0|2,0,0]=4 7984 B11R1.152 CC(C)CC(=O)N1CC(C1)C 527a_100000702820_100000210554 [0,1,0,1,0,0|2,0,0]=4 7985 B11R1.152 CC(C)CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210624 [0,1,0,1,0,0|2,0,0]=4 7986 B11R1.152 CC(O)CC(=O)C1CC(C1)C 1458a_100000686124_100011218427 [0,1,0,1,0,0|1,0,0]=3 7987 B11R1.152 CC(O)CC(=O)C1CC(C1)F 1458a_100000062598_100011218427 [0,1,0,1,0,0|2,0,0]=4 7988 B11R1.152 CC(O)CC(=O)C1CN(C1)C 1458a_100012002723_100011218427 [0,1,0,1,0,0|2,0,0]=4 7989 B11R1.152 CC(O)CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100011218427 [0,1,0,1,0,0|2,0,0]=4 7990 B11R1.152 CC1CC(C1)C(=O)CC(F)F 1458a_100000686124_100011934356 [0,1,0,1,0,0|2,0,0]=4 7991 B11R1.152 CC1CC(C1)C(=O)NC(C)C 11a_100138425928_100000686124 [0,1,0,1,0,0|2,0,0]=4 7992 B11R1.152 CC1CC(C1)C(=O)NC(C)C 1626a_100138425928_100000686124 [0,1,0,1,0,0|2,0,0]=4 7993 B11R1.152 CC1CC(C1)C(=O)NC(C)C 240690a_100138425928_100000686124 [0,1,0,1,0,0|2,0,0]=4 7994 B11R1.152 CC1CC(C1)C(=O)NC(C)C 527a_100138425928_100000686124 [0,1,0,1,0,0|2,0,0]=4 7995 B11R1.152 CC1CN(C1)C(=O)C[C@@H](C)O 240690a_100000702820_100011933948 [0,1,0,1,0,0|2,0,0]=4 7996 B11R1.257 C=C(C)CC(=O)C1CC1CC 1458a_200011661523_100000748629 [0,1,0,1,0,0|1,0,1]=4 7997 B11R1.257 CCC1CC1C(=O)CC(C)C 1458a_200011661523_100000210624 [0,1,0,1,0,0|1,0,0]=3 7998 B11R1.257 CCC1CC1C(=O)CC(C)O 1458a_200011661523_100011218427 [0,1,0,1,0,0|1,0,0]=3 7999 B11R1.257 CCC1CC1C(=O)CC(F)F 1458a_200011661523_100011934356 [0,1,0,1,0,0|2,0,0]=4 8000 B11R1.257 CCC1CC1C(=O)NC(C)C 11a_100138425928_200011661523 [0,1,0,1,0,0|2,0,0]=4 8001 B11R1.257 CCC1CC1C(=O)NC(C)C 1626a_100138425928_200011661523 [0,1,0,1,0,0|2,0,0]=4 8002 B11R1.257 CCC1CC1C(=O)NC(C)C 240690a_100138425928_200011661523 [0,1,0,1,0,0|2,0,0]=4 8003 B11R1.257 CCC1CC1C(=O)NC(C)C 527a_100138425928_200011661523 [0,1,0,1,0,0|2,0,0]=4 8004 B11R1.719 CC(C)CC(=O)N(C)C1CC1 11a_100000226674_100000210554 [0,1,0,1,0,0|2,0,0]=4 8005 B11R1.719 CC(C)CC(=O)N(C)C1CC1 1626a_100000226674_100000210554 [0,1,0,1,0,0|2,0,0]=4 8006 B11R1.719 CC(C)CC(=O)N(C)C1CC1 240690a_100000226674_100000210554 [0,1,0,1,0,0|2,0,0]=4 8007 B11R1.719 CC(C)CC(=O)N(C)C1CC1 527a_100000226674_100000210554 [0,1,0,1,0,0|2,0,0]=4 8008 B11R1.719 CC(C)CC(C)C(=O)C1CC1 1458a_100000210395_100000731052 [0,1,0,1,0,0|1,0,0]=3 8009 B11R1.719 CC(C)CC(C)C(=O)C1CO1 1458a_100000701028_100000731052 [0,1,0,1,0,0|2,0,0]=4 8010 B11R1.719 CC(C)CN(C)C(=O)C1CC1 11a_100000747067_100000210395 [0,1,0,1,0,0|2,0,0]=4 8011 B11R1.719 CC(C)CN(C)C(=O)C1CC1 1626a_100000747067_100000210395 [0,1,0,1,0,0|2,0,0]=4 8012 B11R1.719 CC(C)CN(C)C(=O)C1CC1 240690a_100000747067_100000210395 [0,1,0,1,0,0|2,0,0]=4 8013 B11R1.719 CC(C)CN(C)C(=O)C1CC1 527a_100000747067_100000210395 [0,1,0,1,0,0|2,0,0]=4 8014 B11R1.719 CC(O)CN(C)C(=O)C1CC1 240690a_100000227577_100000210395 [0,1,0,1,0,0|2,0,0]=4 8015 B11R1.719 CC(O)CN(C)C(=O)C1CC1 527a_100000227577_100000210395 [0,1,0,1,0,0|2,0,0]=4 8016 B11R1.719 C[C@@H](O)CC(=O)N(C)C1CC1 240690a_100000226674_100011933948 [0,1,0,1,0,0|2,0,0]=4 8017 B11R1.821 CC1(CC(C1)C(=O)CCF)C 1458a_100000695498_100011217306 [0,1,0,1,0,0|2,0,0]=4 8018 B11R1.821 CC1(CC(C1)C(=O)CCO)C 1458a_100000695498_100000211926 [0,1,0,1,0,0|2,0,0]=4 8019 B11R1.821 CCCC(=O)C1CC(C1)(C)C 1458a_100000695498_100000210303 [0,1,0,1,0,0|1,0,0]=3 8020 B11R1.821 CCCC(=O)C1CC(C1)(F)F 1458a_100000030993_100000210303 [0,1,0,1,0,0|2,0,0]=4 8021 B11R1.821 CCCC(=O)C1CC(C1)(F)F 1458a_100000211992_100010741680 [0,1,0,1,0,0|2,0,0]=4 8022 B11R1.821 CCCC(=O)N1CC(C1)(C)C 11a_100000753659_100000211992 [0,1,0,1,0,0|2,0,0]=4 8023 B11R1.821 CCCC(=O)N1CC(C1)(C)C 1626a_100000753659_100000211992 [0,1,0,1,0,0|2,0,0]=4 8024 B11R1.821 CCCC(=O)N1CC(C1)(C)C 240690a_100000753659_100000211992 [0,1,0,1,0,0|2,0,0]=4 8025 B11R1.821 CCCC(=O)N1CC(C1)(C)C 527a_100000753659_100000211992 [0,1,0,1,0,0|2,0,0]=4 8026 B11R1.821 CCCC(=O)N1CC(C1)(C)F 11a_100000696199_100000211992 [0,1,0,1,0,0|2,0,0]=4 8027 B11R1.821 CCCC(=O)N1CC(C1)(C)F 1626a_100000696199_100000211992 [0,1,0,1,0,0|2,0,0]=4 8028 B11R1.821 CCCC(=O)N1CC(C1)(C)F 240690a_100000696199_100000211992 [0,1,0,1,0,0|2,0,0]=4 8029 B11R1.821 CCCC(=O)N1CC(C1)(C)F 527a_100000696199_100000211992 [0,1,0,1,0,0|2,0,0]=4 8030 B11R1.821 CCCC(=O)N1CC(C1)(C)O 11a_100000718560_100000211992 [0,1,0,1,0,0|2,0,0]=4 8031 B11R1.821 CCCC(=O)N1CC(C1)(C)O 240690a_100000718560_100000211992 [0,1,0,1,0,0|2,0,0]=4 8032 B11R1.821 CCCC(=O)N1CC(C1)(C)O 527a_100000718560_100000211992 [0,1,0,1,0,0|2,0,0]=4 8033 B11R1.821 CCCC(=O)[C@H]1C[C@@](C1)(C)O 1458a_100010742821_100000210303 [0,1,0,1,0,0|1,0,0]=3 8034 B11R1.821 CCNC(=O)C1CC(C1)(C)C 11a_100015525214_100000695498 [0,1,0,1,0,0|2,0,0]=4 8035 B11R1.821 CCNC(=O)C1CC(C1)(C)C 240690a_100015525214_100000695498 [0,1,0,1,0,0|2,0,0]=4 8036 B11R1.821 CCNC(=O)C1CC(C1)(C)C 527a_100015525214_100000695498 [0,1,0,1,0,0|2,0,0]=4 8037 B11R1.821 CCNC(=O)[C@H]1C[C@@](C1)(C)O 240690a_100015525214_100010742821 [0,1,0,1,0,0|2,0,0]=4 8038 B11R1.821 CCNC(=O)[C@H]1C[C@@](C1)(C)O 527a_100015525214_100010742821 [0,1,0,1,0,0|2,0,0]=4 8039 B11R1.821 C[C@@]1(C[C@H](C1)C(=O)CCF)O 1458a_100010742821_100011217306 [0,1,0,1,0,0|2,0,0]=4 8040 B11R1.821 C[C@@]1(C[C@H](C1)C(=O)CCO)O 1458a_100010742821_100000211926 [0,1,0,1,0,0|2,0,0]=4 8041 B11R1.837 CCCC(=O)C1(CC1(F)F)C 1458a_100000117325_100000210303 [0,1,0,1,0,0|2,0,0]=4 8042 B11R1.1264 C=C(C)CC(=O)C1(CCC1)C 1458a_100000684636_100000748629 [0,1,0,1,0,0|1,0,1]=4 8043 B11R1.1264 C=C(C)CC(=O)C1(CCC1)O 1458a_100000242746_100000748629 [0,1,0,1,0,0|0,0,1]=3 8044 B11R1.1264 C=C(C)CC(=O)C1(COC1)O 1458a_100010273515_100000748629 [0,1,0,1,0,0|1,0,1]=4 8045 B11R1.1264 C=C(F)CC(=O)C1(CCC1)O 1458a_100000242746_100009893438 [0,1,0,1,0,0|0,0,2]=4 8046 B11R1.1264 CC(C)CC(=O)C1(CCC1)C 1458a_100000684636_100000210624 [0,1,0,1,0,0|1,0,0]=3 8047 B11R1.1264 CC(C)CC(=O)C1(CCC1)O 1458a_100000242746_100000210624 [0,1,0,1,0,0|0,0,0]=2 8048 B11R1.1264 CC(C)CC(=O)C1(COC1)C 1458a_100000094709_100000210624 [0,1,0,1,0,0|2,0,0]=4 8049 B11R1.1264 CC(C)CC(=O)C1(COC1)O 1458a_100010273515_100000210624 [0,1,0,1,0,0|1,0,0]=3 8050 B11R1.1264 CC(C)NC(=O)C1(CCC1)C 11a_100138425928_100000684636 [0,1,0,1,0,0|2,0,0]=4 8051 B11R1.1264 CC(C)NC(=O)C1(CCC1)C 1626a_100138425928_100000684636 [0,1,0,1,0,0|2,0,0]=4 8052 B11R1.1264 CC(C)NC(=O)C1(CCC1)C 240690a_100138425928_100000684636 [0,1,0,1,0,0|2,0,0]=4 8053 B11R1.1264 CC(C)NC(=O)C1(CCC1)C 527a_100138425928_100000684636 [0,1,0,1,0,0|2,0,0]=4 8054 B11R1.1264 CC(C)NC(=O)C1(CCC1)O 240690a_100138425928_100000242746 [0,1,0,1,0,0|1,0,0]=3 8055 B11R1.1264 CC(C)NC(=O)C1(COC1)O 240690a_100138425928_100010273515 [0,1,0,1,0,0|2,0,0]=4 8056 B11R1.1264 CC(O)CC(=O)C1(CCC1)C 1458a_100000684636_100011218427 [0,1,0,1,0,0|1,0,0]=3 8057 B11R1.1264 CC(O)CC(=O)C1(CCC1)O 1458a_100000242746_100011218427 [0,1,0,1,0,0|0,0,0]=2 8058 B11R1.1264 CC(O)CC(=O)C1(COC1)C 1458a_100000094709_100011218427 [0,1,0,1,0,0|2,0,0]=4 8059 B11R1.1264 CC(O)CC(=O)C1(COC1)O 1458a_100010273515_100011218427 [0,1,0,1,0,0|1,0,0]=3 8060 B11R1.1264 CC1(CCC1)C(=O)CC(F)F 1458a_100000684636_100011934356 [0,1,0,1,0,0|2,0,0]=4 8061 B11R1.1264 NC(=O)CC(=O)C1(CCC1)O 1458a_100000242746_100000187820 [0,1,0,1,0,0|1,0,1]=4 8062 B11R1.1264 O=C(CC(F)F)C1(CCC1)O 1458a_100000242746_100011934356 [0,1,0,1,0,0|1,0,0]=3 8063 B11R1.1264 O=C(CC(F)F)C1(COC1)O 1458a_100010273515_100011934356 [0,1,0,1,0,0|2,0,0]=4 8064 B11R1.1264 O=C(C[N+](=O)[O-])C1(CCC1)O 1458a_100000242746_100000761209 [0,1,0,1,0,0|2,0,0]=4 8065 B11R1.1264 O=C([O-])CC(=O)C1(CCC1)O 1458a_100000242746_100020667443 [0,1,0,1,0,0|1,0,1]=4 8066 B11R1.41 CCCC1CCCCC1OC 34a_100011217265_200000210301 [0,1,0,1,0,0|1,0,1]=4 8067 B11R1.41 CCCC1CCCCC1OC 7a_100011217265_200000210301 [0,1,0,1,0,0|1,0,1]=4 8068 B11R1.41 CCCC1CCCCC1O[13CH3] 34a_100011217265_200025704644 [0,1,0,1,0,0|1,0,1]=4 8069 B11R1.41 CCCC1CCCCC1O[13CH3] 7a_100011217265_200025704644 [0,1,0,1,0,0|1,0,1]=4 8070 B11R1.41 CCCN1CCCCC1CO 2230a_100000210821_100000210303 [0,1,0,1,0,0|2,0,0]=4 8071 B11R1.41 CCCN1CCCCC1CO 269982a_100000210821_100000210303 [0,1,0,1,0,0|2,0,0]=4 8072 B11R1.41 CCCN1CCCCC1CO 34a_100000210821_100000210303 [0,1,0,1,0,0|2,0,0]=4 8073 B11R1.605 CCCC1C(=O)NCCN1C 2230a_200000695202_200000210301 [0,1,0,1,0,0|2,0,0]=4 8074 B11R1.605 CCCC1C(=O)NCCN1C 269982a_200000695202_200000210301 [0,1,0,1,0,0|2,0,0]=4 8075 B11R1.605 CCCC1C(=O)NCCN1C 34a_200000695202_200000210301 [0,1,0,1,0,0|2,0,0]=4 8076 B11R1.605 CCCC1C(=O)NCCN1[13CH3] 2230a_200000695202_200025704644 [0,1,0,1,0,0|2,0,0]=4 8077 B11R1.605 CCCC1C(=O)NCCN1[13CH3] 269982a_200000695202_200025704644 [0,1,0,1,0,0|2,0,0]=4 8078 B11R1.605 CCCC1C(=O)NCCN1[13CH3] 34a_200000695202_200025704644 [0,1,0,1,0,0|2,0,0]=4 8079 B11R1.605 CCNC1C(=O)CCCC1=O 2230a_100015525214_100009814513 [0,1,0,1,0,0|1,0,1]=4 8080 B11R1.605 CCSC1C(=O)CCCC1=O 62a_100000210202_100009814513 [0,1,0,1,0,0|1,0,1]=4 8081 B11R1.605 CCSC1C(=O)CCCC1=O 62a_100009814513_100000210202 [0,1,0,1,0,0|1,0,1]=4 8082 B11R1.763 CCCC(CC)C(=O)C1CC1 1458a_100000210395_100011219200 [0,1,0,1,0,0|1,0,0]=3 8083 B11R1.763 CCCC(CC)C(=O)C1CO1 1458a_100000701028_100011219200 [0,1,0,1,0,0|2,0,0]=4 8084 B11R1.763 CCCN(CC)C(=O)C1CC1 11a_100000226822_100000210395 [0,1,0,1,0,0|2,0,0]=4 8085 B11R1.763 CCCN(CC)C(=O)C1CC1 1626a_100000226822_100000210395 [0,1,0,1,0,0|2,0,0]=4 8086 B11R1.763 CCCN(CC)C(=O)C1CC1 240690a_100000226822_100000210395 [0,1,0,1,0,0|2,0,0]=4 8087 B11R1.763 CCCN(CC)C(=O)C1CC1 527a_100000226822_100000210395 [0,1,0,1,0,0|2,0,0]=4 8088 B11R1.823 CCCC(=O)N(CC)C1CC1 11a_100000738653_100000211992 [0,1,0,1,0,0|2,0,0]=4 8089 B11R1.823 CCCC(=O)N(CC)C1CC1 1626a_100000738653_100000211992 [0,1,0,1,0,0|2,0,0]=4 8090 B11R1.823 CCCC(=O)N(CC)C1CC1 240690a_100000738653_100000211992 [0,1,0,1,0,0|2,0,0]=4 8091 B11R1.823 CCCC(=O)N(CC)C1CC1 527a_100000738653_100000211992 [0,1,0,1,0,0|2,0,0]=4 8092 B11R1.823 CCOC(=O)C(NC)C1CC1 2230a_106832991635_100010073418 [0,1,0,1,0,0|2,0,0]=4 8093 B11R1.823 CCOC(=O)C(NC)C1CC1 34a_100102657272_100010073418 [0,1,0,1,0,0|2,0,0]=4 8094 B11R1.823 CCOC(=O)C(NC)C1CC1 7a_106832991635_100010073418 [0,1,0,1,0,0|2,0,0]=4 8095 B11R1.823 CCOC(=O)C(OC)C1CC1 34a_100138415774_100010073418 [0,1,0,1,0,0|1,0,0]=3 8096 B11R1.823 CCOC(=O)C(SC)C1CC1 62a_100010073418_200000210301 [0,1,0,1,0,0|1,1,0]=4 8097 B11R1.823 CCOC(=O)C(SC)C1CC1 62a_200000210301_100010073418 [0,1,0,1,0,0|1,1,0]=4 8098 B11R1.823 CCOC(=O)C(S[13CH3])C1CC1 62a_100010073418_200025704644 [0,1,0,1,0,0|1,1,0]=4 8099 B11R1.823 CCOC(=O)C(S[13CH3])C1CC1 62a_200025704644_100010073418 [0,1,0,1,0,0|1,1,0]=4 8100 B11R1.831 CCC1(CCC1)C(=O)CCF 1458a_100000685558_100011217306 [0,1,0,1,0,0|2,0,0]=4 8101 B11R1.831 CCC1(CCC1)C(=O)CCO 1458a_100000685558_100000211926 [0,1,0,1,0,0|2,0,0]=4 8102 B11R1.831 CCCC(=O)C1(CCC1)C#N 1458a_100000752263_100000210303 [0,1,0,1,0,0|1,0,0]=3 8103 B11R1.831 CCCC(=O)C1(CCC1)CC 1458a_100000685558_100000210303 [0,1,0,1,0,0|1,0,0]=3 8104 B11R1.831 CCCC(=O)C1(COC1)CC 1458a_100000139254_100000210303 [0,1,0,1,0,0|2,0,0]=4 8105 B11R1.831 CCNC(=O)C1(CCC1)C#N 11a_100015525214_100000752263 [0,1,0,1,0,0|2,0,0]=4 8106 B11R1.831 CCNC(=O)C1(CCC1)C#N 240690a_100015525214_100000752263 [0,1,0,1,0,0|2,0,0]=4 8107 B11R1.831 CCNC(=O)C1(CCC1)C#N 527a_100015525214_100000752263 [0,1,0,1,0,0|2,0,0]=4 8108 B11R1.831 CCNC(=O)C1(CCC1)CC 11a_100015525214_100000685558 [0,1,0,1,0,0|2,0,0]=4 8109 B11R1.831 CCNC(=O)C1(CCC1)CC 240690a_100015525214_100000685558 [0,1,0,1,0,0|2,0,0]=4 8110 B11R1.831 CCNC(=O)C1(CCC1)CC 527a_100015525214_100000685558 [0,1,0,1,0,0|2,0,0]=4 8111 B11R1.831 CCOC(=O)C1(CCC1)NC 34a_100102657272_100009814009 [0,1,0,1,0,0|2,0,0]=4 8112 B11R1.831 CCOC(=O)C1(CCC1)NC 7a_106832991635_100009814009 [0,1,0,1,0,0|2,0,0]=4 8113 B11R1.831 CCOC(=O)C1(CCC1)OC 34a_100138415774_100009814009 [0,1,0,1,0,0|1,0,0]=3 8114 B11R1.831 CCOC(=O)C1(CCC1)SC 62a_100009814009_200000210301 [0,1,0,1,0,0|1,1,0]=4 8115 B11R1.831 CCOC(=O)C1(CCC1)SC 62a_200000210301_100009814009 [0,1,0,1,0,0|1,1,0]=4 8116 B11R1.831 CCOC(=O)C1(CCC1)S[13CH3] 62a_100009814009_200025704644 [0,1,0,1,0,0|1,1,0]=4 8117 B11R1.831 CCOC(=O)C1(CCC1)S[13CH3] 62a_200025704644_100009814009 [0,1,0,1,0,0|1,1,0]=4 8118 B11R1.831 N#CC1(CCC1)C(=O)CCF 1458a_100000752263_100011217306 [0,1,0,1,0,0|2,0,0]=4 8119 B11R1.831 N#CC1(CCC1)C(=O)CCO 1458a_100000752263_100000211926 [0,1,0,1,0,0|2,0,0]=4 8120 B11R1.838 CCCC(=O)C1(CC1)OCC 1458a_100011094191_100000210303 [0,1,0,1,0,0|2,0,0]=4 8121 B11R1.31 C#CC(C)C(=O)[C@@H]1CCCO1 1458a_100000686382_200000035995 [0,1,0,1,0,0|0,0,2]=4 8122 B11R1.31 CC(C#N)C(=O)[C@@H]1CCCO1 1458a_100000686382_100000703298 [0,1,0,1,0,0|1,0,1]=4 8123 B11R1.31 CCC(C)C(=O)C1=CCCC1 1458a_100000038896_100000758301 [0,1,0,1,0,0|1,0,1]=4 8124 B11R1.31 CCC(C)C(=O)C1CCCC1 1458a_100000210718_100000758301 [0,1,0,1,0,0|1,0,0]=3 8125 B11R1.31 CCC(C)C(=O)C1CCCC1 1458a_100011192722_100000179811 [0,1,0,1,0,0|1,0,0]=3 8126 B11R1.31 CCC(C)C(=O)C1CCCS1 1458a_100012002731_100000758301 [0,1,0,1,0,0|0,1,0]=3 8127 B11R1.31 CCC(C)C(=O)C1CCOC1 1458a_100011192722_100000690089 [0,1,0,1,0,0|2,0,0]=4 8128 B11R1.31 CCC(C)C(=O)C1CCOC1 1458a_100011219752_100000758301 [0,1,0,1,0,0|2,0,0]=4 8129 B11R1.31 CCC(C)C(=O)N1CCCC1 240690a_100000188435_100011192722 [0,1,0,1,0,0|2,0,0]=4 8130 B11R1.31 CCC(C)C(=O)N1CCCC1 527a_100000188435_100011192722 [0,1,0,1,0,0|2,0,0]=4 8131 B11R1.31 CCC(C)C(=O)[C@@H]1CCCO1 1458a_100000686382_100000758301 [0,1,0,1,0,0|0,0,0]=2 8132 B11R1.31 CCC(O)C(=O)C1CCCC1 1458a_100011196387_100000179811 [0,1,0,1,0,0|1,0,0]=3 8133 B11R1.31 CCC(O)C(=O)C1CCOC1 1458a_100011196387_100000690089 [0,1,0,1,0,0|2,0,0]=4 8134 B11R1.31 CCC(O)C(=O)N1CCCC1 240690a_100000188435_100011196387 [0,1,0,1,0,0|2,0,0]=4 8135 B11R1.31 CCN(C)C(=O)C1CCCC1 11a_100000225621_100000210718 [0,1,0,1,0,0|2,0,0]=4 8136 B11R1.31 CCN(C)C(=O)C1CCCC1 1626a_100000225621_100000210718 [0,1,0,1,0,0|2,0,0]=4 8137 B11R1.31 CCN(C)C(=O)C1CCCC1 240690a_100000225621_100000210718 [0,1,0,1,0,0|2,0,0]=4 8138 B11R1.31 CCN(C)C(=O)C1CCCC1 527a_100000225621_100000210718 [0,1,0,1,0,0|2,0,0]=4 8139 B11R1.31 CCN(C)C(=O)C1CCCS1 11a_100000225621_100012002731 [0,1,0,1,0,0|1,1,0]=4 8140 B11R1.31 CCN(C)C(=O)C1CCCS1 1626a_100000225621_100012002731 [0,1,0,1,0,0|1,1,0]=4 8141 B11R1.31 CCN(C)C(=O)C1CCCS1 240690a_100000225621_100012002731 [0,1,0,1,0,0|1,1,0]=4 8142 B11R1.31 CCN(C)C(=O)C1CCCS1 527a_100000225621_100012002731 [0,1,0,1,0,0|1,1,0]=4 8143 B11R1.31 CCN(C)C(=O)[C@@H]1CCCO1 11a_100000225621_100000686382 [0,1,0,1,0,0|1,0,0]=3 8144 B11R1.31 CCN(C)C(=O)[C@@H]1CCCO1 1626a_100000225621_100000686382 [0,1,0,1,0,0|1,0,0]=3 8145 B11R1.31 CCN(C)C(=O)[C@@H]1CCCO1 240690a_100000225621_100000686382 [0,1,0,1,0,0|1,0,0]=3 8146 B11R1.31 CCN(C)C(=O)[C@@H]1CCCO1 527a_100000225621_100000686382 [0,1,0,1,0,0|1,0,0]=3 8147 B11R1.31 COC(C)C(=O)C1CCCC1 1458a_100000743197_100000179811 [0,1,0,1,0,0|2,0,0]=4 8148 B11R1.31 CSC(C)C(=O)C1CCCC1 1458a_100000149566_100000179811 [0,1,0,1,0,0|2,0,0]=4 8149 B11R1.31 O=C(C(O)CO)C1CCCC1 1458a_100011215603_100000179811 [0,1,0,1,0,0|2,0,0]=4 8150 B11R1.222 CCC(=O)C1CCCCC1=O 1458a_100000210414_100000204591 [0,1,0,1,0,0|1,0,1]=4 8151 B11R1.222 CCN(C)C1CCCCC1=O 269982a_100000225621_100000204591 [0,1,0,1,0,0|2,0,0]=4 8152 B11R1.240 CCC(C)C(=O)C1CC1CC 1458a_200011661523_100000758301 [0,1,0,1,0,0|1,0,0]=3 8153 B11R1.240 CCC1CC1C(=O)N(C)CC 11a_100000225621_200011661523 [0,1,0,1,0,0|2,0,0]=4 8154 B11R1.240 CCC1CC1C(=O)N(C)CC 1626a_100000225621_200011661523 [0,1,0,1,0,0|2,0,0]=4 8155 B11R1.240 CCC1CC1C(=O)N(C)CC 240690a_100000225621_200011661523 [0,1,0,1,0,0|2,0,0]=4 8156 B11R1.240 CCC1CC1C(=O)N(C)CC 527a_100000225621_200011661523 [0,1,0,1,0,0|2,0,0]=4 8157 B11R1.296 CCC(C)C(=O)C1CC(C1)C 1458a_100000686124_100000758301 [0,1,0,1,0,0|1,0,0]=3 8158 B11R1.296 CCC(C)C(=O)C1CC(C1)F 1458a_100000062598_100000758301 [0,1,0,1,0,0|2,0,0]=4 8159 B11R1.296 CCC(C)C(=O)C1CN(C1)C 1458a_100012002723_100000758301 [0,1,0,1,0,0|2,0,0]=4 8160 B11R1.296 CCC(C)C(=O)N1CC(C1)C 11a_100000702820_100011192722 [0,1,0,1,0,0|2,0,0]=4 8161 B11R1.296 CCC(C)C(=O)N1CC(C1)C 240690a_100000702820_100011192722 [0,1,0,1,0,0|2,0,0]=4 8162 B11R1.296 CCC(C)C(=O)N1CC(C1)C 527a_100000702820_100011192722 [0,1,0,1,0,0|2,0,0]=4 8163 B11R1.296 CCC(C)C(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000758301 [0,1,0,1,0,0|2,0,0]=4 8164 B11R1.296 CCC(O)C(=O)N1CC(C1)C 240690a_100000702820_100011196387 [0,1,0,1,0,0|2,0,0]=4 8165 B11R1.296 CCN(C)C(=O)C1CC(C1)C 11a_100000225621_100000686124 [0,1,0,1,0,0|2,0,0]=4 8166 B11R1.296 CCN(C)C(=O)C1CC(C1)C 1626a_100000225621_100000686124 [0,1,0,1,0,0|2,0,0]=4 8167 B11R1.296 CCN(C)C(=O)C1CC(C1)C 240690a_100000225621_100000686124 [0,1,0,1,0,0|2,0,0]=4 8168 B11R1.296 CCN(C)C(=O)C1CC(C1)C 527a_100000225621_100000686124 [0,1,0,1,0,0|2,0,0]=4 8169 B11R1.350 CC(CCO)C(=O)C1(CC1)C 1458a_100000756474_100009893172 [0,1,0,1,0,0|2,0,0]=4 8170 B11R1.350 CC(CCO)C(=O)C1(CC1)F 1458a_100000055089_100009893172 [0,1,0,1,0,0|2,0,0]=4 8171 B11R1.350 CC(CCO)C(=O)C1(CC1)O 1458a_100000241761_100009893172 [0,1,0,1,0,0|2,0,0]=4 8172 B11R1.350 CCCC(C)C(=O)C1(CC1)C 1458a_100000756474_100000766640 [0,1,0,1,0,0|1,0,0]=3 8173 B11R1.350 CCCC(C)C(=O)C1(CC1)F 1458a_100000055089_100000766640 [0,1,0,1,0,0|1,0,0]=3 8174 B11R1.350 CCCC(C)C(=O)C1(CC1)O 1458a_100000241761_100000766640 [0,1,0,1,0,0|1,0,0]=3 8175 B11R1.350 CCCN(C)C(=O)C1(CC1)C 11a_100000747261_100000756474 [0,1,0,1,0,0|2,0,0]=4 8176 B11R1.350 CCCN(C)C(=O)C1(CC1)C 1626a_100000747261_100000756474 [0,1,0,1,0,0|2,0,0]=4 8177 B11R1.350 CCCN(C)C(=O)C1(CC1)C 240690a_100000747261_100000756474 [0,1,0,1,0,0|2,0,0]=4 8178 B11R1.350 CCCN(C)C(=O)C1(CC1)C 527a_100000747261_100000756474 [0,1,0,1,0,0|2,0,0]=4 8179 B11R1.350 CCCN(C)C(=O)C1(CC1)F 11a_100000747261_100000055089 [0,1,0,1,0,0|2,0,0]=4 8180 B11R1.350 CCCN(C)C(=O)C1(CC1)F 1626a_100000747261_100000055089 [0,1,0,1,0,0|2,0,0]=4 8181 B11R1.350 CCCN(C)C(=O)C1(CC1)F 240690a_100000747261_100000055089 [0,1,0,1,0,0|2,0,0]=4 8182 B11R1.350 CCCN(C)C(=O)C1(CC1)F 527a_100000747261_100000055089 [0,1,0,1,0,0|2,0,0]=4 8183 B11R1.350 CCCN(C)C(=O)C1(CC1)O 240690a_100000747261_100000241761 [0,1,0,1,0,0|2,0,0]=4 8184 B11R1.350 COCC(C)C(=O)C1(CC1)C 1458a_100000756474_100000765312 [0,1,0,1,0,0|2,0,0]=4 8185 B11R1.350 COCC(C)C(=O)C1(CC1)F 1458a_100000055089_100000765312 [0,1,0,1,0,0|2,0,0]=4 8186 B11R1.350 COCC(C)C(=O)C1(CC1)O 1458a_100000241761_100000765312 [0,1,0,1,0,0|2,0,0]=4 8187 B11R1.385 CCC(=O)C(C)C(=O)C1CC1 1458a_100000210395_100000742827 [0,1,0,1,0,0|1,0,1]=4 8188 B11R1.385 CCC(C)C(=O)N(C)C1CC1 11a_100000226674_100011192722 [0,1,0,1,0,0|2,0,0]=4 8189 B11R1.385 CCC(C)C(=O)N(C)C1CC1 1626a_100000226674_100011192722 [0,1,0,1,0,0|2,0,0]=4 8190 B11R1.385 CCC(C)C(=O)N(C)C1CC1 240690a_100000226674_100011192722 [0,1,0,1,0,0|2,0,0]=4 8191 B11R1.385 CCC(C)C(=O)N(C)C1CC1 527a_100000226674_100011192722 [0,1,0,1,0,0|2,0,0]=4 8192 B11R1.385 CCC(C)N(C)C(=O)C1CC1 11a_100000741768_100000210395 [0,1,0,1,0,0|2,0,0]=4 8193 B11R1.385 CCC(C)N(C)C(=O)C1CC1 1626a_100000741768_100000210395 [0,1,0,1,0,0|2,0,0]=4 8194 B11R1.385 CCC(C)N(C)C(=O)C1CC1 240690a_100000741768_100000210395 [0,1,0,1,0,0|2,0,0]=4 8195 B11R1.385 CCC(C)N(C)C(=O)C1CC1 527a_100000741768_100000210395 [0,1,0,1,0,0|2,0,0]=4 8196 B11R1.385 CCC(O)C(=O)N(C)C1CC1 240690a_100000226674_100011196387 [0,1,0,1,0,0|2,0,0]=4 8197 B11R1.1007 C#CC(C)C(=O)C1(CCC1)O 1458a_100000242746_200000035995 [0,1,0,1,0,0|0,0,2]=4 8198 B11R1.1007 CC(C#N)C(=O)C1(CCC1)O 1458a_100000242746_100000703298 [0,1,0,1,0,0|1,0,1]=4 8199 B11R1.1007 CCC(C)C(=O)C1(CCC1)C 1458a_100000684636_100000758301 [0,1,0,1,0,0|1,0,0]=3 8200 B11R1.1007 CCC(C)C(=O)C1(CCC1)O 1458a_100000242746_100000758301 [0,1,0,1,0,0|0,0,0]=2 8201 B11R1.1007 CCC(C)C(=O)C1(COC1)C 1458a_100000094709_100000758301 [0,1,0,1,0,0|2,0,0]=4 8202 B11R1.1007 CCC(C)C(=O)C1(COC1)O 1458a_100010273515_100000758301 [0,1,0,1,0,0|1,0,0]=3 8203 B11R1.1007 CCN(C)C(=O)C1(CCC1)C 11a_100000225621_100000684636 [0,1,0,1,0,0|2,0,0]=4 8204 B11R1.1007 CCN(C)C(=O)C1(CCC1)C 1626a_100000225621_100000684636 [0,1,0,1,0,0|2,0,0]=4 8205 B11R1.1007 CCN(C)C(=O)C1(CCC1)C 240690a_100000225621_100000684636 [0,1,0,1,0,0|2,0,0]=4 8206 B11R1.1007 CCN(C)C(=O)C1(CCC1)C 527a_100000225621_100000684636 [0,1,0,1,0,0|2,0,0]=4 8207 B11R1.1007 CCN(C)C(=O)C1(CCC1)O 240690a_100000225621_100000242746 [0,1,0,1,0,0|1,0,0]=3 8208 B11R1.1007 CCN(C)C(=O)C1(COC1)O 240690a_100000225621_100010273515 [0,1,0,1,0,0|2,0,0]=4 8209 B11R2.28 CSC1C(=O)[C@H]2CC[C@@H]1C2 62a_200000210301_200015607011 [0,0,0,2,0,0|2,0,0]=4 8210 B11R2.28 CSC1C(=O)[C@H]2CC[C@@H]1C2 62a_200015607011_200000210301 [0,0,0,2,0,0|2,0,0]=4 8211 B11R2.28 [13CH3]SC1C(=O)[C@H]2CC[C@@H]1C2 62a_200015607011_200025704644 [0,0,0,2,0,0|2,0,0]=4 8212 B11R2.28 [13CH3]SC1C(=O)[C@H]2CC[C@@H]1C2 62a_200025704644_200015607011 [0,0,0,2,0,0|2,0,0]=4 8213 B11R2.1031 O=C(C1CC1)C2CCOC2 1458a_100000210395_100000690089 [0,0,0,2,0,0|2,0,0]=4 8214 B11R2.1031 O=C(C1CC1)N2CCCC2 240690a_100000188435_100000210395 [0,0,0,2,0,0|2,0,0]=4 8215 B11R2.1031 O=C(C1CC1)N2CCCC2 527a_100000188435_100000210395 [0,0,0,2,0,0|2,0,0]=4 8216 B11R2.1031 O=C(C1CCCC1)C2CC2 1458a_100000210395_100000179811 [0,0,0,2,0,0|1,0,0]=3 8217 B11R2.1031 O=C(C1CCCC1)C2CO2 1458a_100000701028_100000179811 [0,0,0,2,0,0|2,0,0]=4 8218 B11R2.548 CC1CN(C1)C(=O)C2CC2 11a_100000702820_100000210395 [0,0,0,2,0,0|2,0,0]=4 8219 B11R2.548 CC1CN(C1)C(=O)C2CC2 240690a_100000702820_100000210395 [0,0,0,2,0,0|2,0,0]=4 8220 B11R2.548 CC1CN(C1)C(=O)C2CC2 527a_100000702820_100000210395 [0,0,0,2,0,0|2,0,0]=4 8221 B11R2.881 CCCC(=O)C12CC(C1)C2 1458a_100000137470_100000210303 [0,0,0,2,0,0|1,0,0]=3 8222 B11R2.881 CCNC(=O)C12CC(C1)C2 11a_100015525214_100000137470 [0,0,0,2,0,0|2,0,0]=4 8223 B11R2.881 CCNC(=O)C12CC(C1)C2 240690a_100015525214_100000137470 [0,0,0,2,0,0|2,0,0]=4 8224 B11R2.881 CCNC(=O)C12CC(C1)C2 527a_100015525214_100000137470 [0,0,0,2,0,0|2,0,0]=4 8225 B11R2.881 O=C(CCF)C12CC(C1)C2 1458a_100000137470_100011217306 [0,0,0,2,0,0|2,0,0]=4 8226 B11R2.881 O=C(CCO)C12CC(C1)C2 1458a_100000137470_100000211926 [0,0,0,2,0,0|2,0,0]=4 8227 B11R2.1032 CN(C(=O)C1CC1)C2CC2 11a_100000226674_100000210395 [0,0,0,2,0,0|2,0,0]=4 8228 B11R2.1032 CN(C(=O)C1CC1)C2CC2 1626a_100000226674_100000210395 [0,0,0,2,0,0|2,0,0]=4 8229 B11R2.1032 CN(C(=O)C1CC1)C2CC2 240690a_100000226674_100000210395 [0,0,0,2,0,0|2,0,0]=4 8230 B11R2.1032 CN(C(=O)C1CC1)C2CC2 527a_100000226674_100000210395 [0,0,0,2,0,0|2,0,0]=4 8231 B11R0.62 CCCC(=O)CNC(C)CCC 2230a_100000741246_100000747444 [0,0,0,0,0,2|1,0,0]=3 8232 B11R0.62 CCCC(=O)CN[C@H](C)CCO 2230a_100000706166_100000747444 [0,0,0,0,0,2|2,0,0]=4 8233 B11R0.62 CCCC(=O)CN[C@H](C)COC 2230a_100000764878_100000747444 [0,0,0,0,0,2|2,0,0]=4 8234 B11R0.62 CCCC(=O)COC(=O)CCC 1458a_100000211992_100000034017 [0,0,0,0,0,2|0,0,2]=4 8235 B11R0.62 CCCC(=O)COC(C)CCC 7a_100000764384_100000747444 [0,0,0,0,0,2|1,0,0]=3 8236 B11R0.62 CCCC(=O)CSC(C)CCC 62a_100000747444_100000766640 [0,0,0,0,0,2|1,0,0]=3 8237 B11R0.62 CCCC(=O)CSC(C)CCC 62a_100000766640_100000747444 [0,0,0,0,0,2|1,0,0]=3 8238 B11R0.62 CCCC(=O)CSC(C)CCO 62a_100000747444_100009893172 [0,0,0,0,0,2|2,0,0]=4 8239 B11R0.62 CCCC(=O)CSC(C)CCO 62a_100009893172_100000747444 [0,0,0,0,0,2|2,0,0]=4 8240 B11R0.62 CCCC(=O)CSC(C)COC 62a_100000747444_100000765312 [0,0,0,0,0,2|2,0,0]=4 8241 B11R0.62 CCCC(=O)CSC(C)COC 62a_100000765312_100000747444 [0,0,0,0,0,2|2,0,0]=4 8242 B11R0.62 CCCC(=O)NCC(O)COC 240690a_100000756049_100000211992 [0,0,0,0,0,2|1,0,0]=3 8243 B11R0.62 CCCC(=O)NCC(O)COC 527a_100000756049_100000211992 [0,0,0,0,0,2|1,0,0]=3 8244 B11R0.62 CCCC(=O)NN=C(C)CCC 4a_100000189770_100000211909 [0,0,0,0,0,2|1,0,1]=4 8245 B11R0.62 CCCC(=O)NNC(=O)CCC 22a_100000189770_100000211992 [0,0,0,0,0,2|0,0,2]=4 8246 B11R0.62 CCCC(=O)OCN(C)CCC 2230a_100000747261_100000034017 [0,0,0,0,0,2|2,0,0]=4 8247 B11R0.62 CCCC(=O)OCN(C)CCC 269982a_100000747261_100000034017 [0,0,0,0,0,2|2,0,0]=4 8248 B11R0.62 CCCC(C)NCC(=O)NCC 2230a_100000741246_100000183381 [0,0,0,0,0,2|2,0,0]=4 8249 B11R0.62 CCCC(C)NCC(=O)NCC 2230a_100016988866_100000766640 [0,0,0,0,0,2|2,0,0]=4 8250 B11R0.62 CCCC(C)NCC(=O)NCC 270004a_100016988866_100000211909 [0,0,0,0,0,2|2,0,0]=4 8251 B11R0.62 CCCC(C)NCC(=O)OCC 2230a_100000741246_100000188475 [0,0,0,0,0,2|2,0,0]=4 8252 B11R0.62 CCCC(C)OCC(=O)NCC 34a_100000764384_100000183381 [0,0,0,0,0,2|2,0,0]=4 8253 B11R0.62 CCCC(C)OCC(=O)NCC 7a_100000764384_100000183381 [0,0,0,0,0,2|2,0,0]=4 8254 B11R0.62 CCCC(C)OCC(=O)OCC 34a_100000764384_100000188475 [0,0,0,0,0,2|2,0,0]=4 8255 B11R0.62 CCCC(C)OCC(=O)OCC 7a_100000764384_100000188475 [0,0,0,0,0,2|2,0,0]=4 8256 B11R0.62 CCCC(C)SCC(=O)NCC 62a_100000183381_100000766640 [0,0,0,0,0,2|2,0,0]=4 8257 B11R0.62 CCCC(C)SCC(=O)NCC 62a_100000766640_100000183381 [0,0,0,0,0,2|2,0,0]=4 8258 B11R0.62 CCCC(C)SCC(=O)OCC 62a_100000188475_100000766640 [0,0,0,0,0,2|2,0,0]=4 8259 B11R0.62 CCCC(C)SCC(=O)OCC 62a_100000766640_100000188475 [0,0,0,0,0,2|2,0,0]=4 8260 B11R0.62 CCNC(=O)NCC(O)COC 2708a_100015525214_100000756049 [0,0,0,0,0,2|2,0,0]=4 8261 B11R0.62 CCNC(=O)NCC(O)COC 273464a_100000756049_100015525214 [0,0,0,0,0,2|2,0,0]=4 8262 B11R0.62 CCNC(=O)NCC(O)COC 273464a_100015525214_100000756049 [0,0,0,0,0,2|2,0,0]=4 8263 B11R0.62 CCNC(=O)NCC(O)COC 512a_100000756049_100015525214 [0,0,0,0,0,2|2,0,0]=4 8264 B11R0.62 CCNC(=O)NCC(O)COC 512a_100015525214_100000756049 [0,0,0,0,0,2|2,0,0]=4 8265 B11R0.62 COCC(=O)NCC(O)COC 240690a_100000756049_100000210968 [0,0,0,0,0,2|2,0,0]=4 8266 B11R0.62 COCC(=O)NCC(O)COC 527a_100000756049_100000210968 [0,0,0,0,0,2|2,0,0]=4 8267 B11R0.62 COCC(O)CNC(=O)CCO 240690a_100000756049_100011216618 [0,0,0,0,0,2|2,0,0]=4 8268 B11R0.62 COCC(O)CNC(=O)CSC 240690a_100000756049_100000184570 [0,0,0,0,0,2|2,0,0]=4 8269 B11R0.62 COCC(O)CNC(=O)CSC 527a_100000756049_100000184570 [0,0,0,0,0,2|2,0,0]=4