0 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.2 C#CCNCCCS(=O)C 2230a_200000753449_100000038162 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.2 C=CCNCCCS(=O)C 2230a_200000753449_100000210623 [0,0,0,0,0,0|3,0,1]=4 8 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [0,0,0,0,0,0|2,1,1]=4 11 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [0,0,0,0,0,0|2,1,1]=4 12 B9R0.2 CC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_200000210301 [0,0,0,0,0,0|3,0,0]=3 13 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [0,0,0,0,0,0|3,0,1]=4 14 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [0,0,0,0,0,0|3,0,1]=4 15 B9R0.2 CC(=O)NCCCN=[N+]=[N-] 240690a_100000744732_100015343762 [0,0,0,0,0,0|4,0,0]=4 16 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [0,0,0,0,0,0|3,0,1]=4 17 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [0,0,0,0,0,0|3,0,1]=4 18 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [0,0,0,0,0,0|3,0,1]=4 19 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [0,0,0,0,0,0|3,0,1]=4 20 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [0,0,0,0,0,0|3,0,1]=4 21 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [0,0,0,0,0,0|3,0,1]=4 22 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [0,0,0,0,0,0|3,0,1]=4 23 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [0,0,0,0,0,0|4,0,0]=4 24 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [0,0,0,0,0,0|4,0,0]=4 25 B9R0.2 COCNCCCS(=O)C 2230a_200000753449_100000766300 [0,0,0,0,0,0|4,0,0]=4 26 B9R0.2 CS(=O)CCCNCC#N 2230a_200000753449_100011215382 [0,0,0,0,0,0|3,0,1]=4 27 B9R0.2 CS(=O)CCCNCC=O 2230a_200000753449_200015260668 [0,0,0,0,0,0|2,1,1]=4 28 B9R0.2 CS(=O)CCCNCCF 2230a_200000753449_100011217306 [0,0,0,0,0,0|3,0,1]=4 29 B9R0.2 CS(=O)CCCNCCO 2230a_200000753449_100000211926 [0,0,0,0,0,0|2,1,1]=4 30 B9R0.2 CSCNCCCS(=O)C 2230a_200000753449_100011218213 [0,0,0,0,0,0|4,0,0]=4 31 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [0,0,0,0,0,0|2,1,1]=4 32 B9R0.2 [13CH3]C(=O)CCCCN=[N+]=[N-] 1458a_100000070148_200025704644 [0,0,0,0,0,0|3,0,0]=3 33 B8R0.4 CNCCCCN=[N+]=[N-] 2230a_100000101370_200000210301 [1,0,0,0,0,0|3,0,0]=4 34 B8R0.4 [13CH3]NCCCCN=[N+]=[N-] 2230a_100000101370_200025704644 [1,0,0,0,0,0|3,0,0]=4 35 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [1,0,0,0,0,0|2,0,1]=4 36 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [1,0,0,0,0,0|2,0,1]=4 37 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [1,0,0,0,0,0|2,0,1]=4 38 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [1,0,0,0,0,0|2,0,1]=4 39 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [1,0,0,0,0,0|2,0,1]=4 40 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [1,0,0,0,0,0|2,0,1]=4 41 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [1,0,0,0,0,0|2,0,1]=4 42 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,0,0,0,0,0|2,0,1]=4 43 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,0,0,0,0,0|1,1,1]=4 44 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,0,0,0,0,0|1,1,1]=4 45 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,0,0,0,0,0|2,0,1]=4 46 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,0,0,0,0,0|2,0,1]=4 47 B8R0.7 CC(=O)CCCN=[N+]=[N-] 1458a_100010262590_200000210301 [1,0,0,0,0,0|3,0,0]=4 48 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,0,0,0,0,0|2,0,1]=4 49 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,0,0,0,0,0|2,0,1]=4 50 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,0,0,0,0,0|2,0,1]=4 51 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [1,0,0,0,0,0|1,0,2]=4 52 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,0,0,0,0,0|1,0,2]=4 53 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,0,0,0,0,0|1,0,2]=4 54 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,0,0,0,0,0|2,0,1]=4 55 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,0,0,0,0,0|2,0,1]=4 56 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,0,0,0,0,0|2,0,1]=4 57 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,0,0,0,0,0|2,0,1]=4 58 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,0,0,0,0,0|1,1,1]=4 59 B8R0.7 [13CH3]C(=O)CCCN=[N+]=[N-] 1458a_100010262590_200025704644 [1,0,0,0,0,0|3,0,0]=4 60 B10R0.4 C#CCCNCCCS(=O)C 2230a_200000753449_100000688953 [0,1,0,0,0,0|2,0,1]=4 61 B10R0.4 C=CCCNCCCS(=O)C 2230a_200000753449_100000754431 [0,1,0,0,0,0|2,0,1]=4 62 B10R0.4 CC#CCNCCCS(=O)C 2230a_200000753449_100000748600 [0,1,0,0,0,0|2,0,1]=4 63 B10R0.4 CC(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_200000210301 [0,1,0,0,0,0|3,0,0]=4 64 B10R0.4 CC(=O)NCCCCN=[N+]=[N-] 11a_100000101370_100015343762 [0,1,0,0,0,0|3,0,0]=4 65 B10R0.4 CC(=O)NCCCCN=[N+]=[N-] 240690a_100000101370_100015343762 [0,1,0,0,0,0|3,0,0]=4 66 B10R0.4 CC=CCNCCCS(=O)C 2230a_200000753449_100000070051 [0,1,0,0,0,0|2,0,1]=4 67 B10R0.4 CCCCNCCCS(=O)C 2230a_200000753449_100000210211 [0,1,0,0,0,0|2,0,1]=4 68 B10R0.4 COCCNCCCS(=O)C 2230a_200000753449_100011201679 [0,1,0,0,0,0|3,0,0]=4 69 B10R0.4 CS(=O)CCCNCCC#N 2230a_200000753449_100011215226 [0,1,0,0,0,0|2,0,1]=4 70 B10R0.4 CS(=O)CCCNCCCF 2230a_200000753449_100011934791 [0,1,0,0,0,0|2,0,1]=4 71 B10R0.4 CS(=O)CCCNCCCO 2230a_200000753449_100000230001 [0,1,0,0,0,0|1,1,1]=4 72 B10R0.4 CSCCNCCCS(=O)C 2230a_200000753449_100000751147 [0,1,0,0,0,0|3,0,0]=4 73 B10R0.4 [13CH3]C(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_200025704644 [0,1,0,0,0,0|3,0,0]=4 74 B10R0.74 CCC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_100000210202 [0,1,0,0,0,0|3,0,0]=4 75 B10R0.74 CNC(=O)CCCCN=[N+]=[N-] 11a_106832991635_100000070148 [0,1,0,0,0,0|3,0,0]=4 76 B10R0.74 CNC(=O)CCCCN=[N+]=[N-] 240690a_100102657272_100000070148 [0,1,0,0,0,0|3,0,0]=4 77 B10R0.74 CNC(=O)CCCCN=[N+]=[N-] 527a_100102657272_100000070148 [0,1,0,0,0,0|3,0,0]=4 78 B10R0.74 [N-]=[N+]=NCCCCC(=O)CF 1458a_100000070148_100015361967 [0,1,0,0,0,0|3,0,0]=4 79 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [2,0,0,0,0,0|2,0,0]=4 80 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [2,0,0,0,0,0|1,1,0]=4 81 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [2,0,0,0,0,0|1,1,0]=4 82 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [2,0,0,0,0,0|1,0,1]=4 83 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [2,0,0,0,0,0|1,0,1]=4 84 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [2,0,0,0,0,0|1,0,1]=4 85 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [2,0,0,0,0,0|0,0,2]=4 86 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [2,0,0,0,0,0|0,0,2]=4 87 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [2,0,0,0,0,0|1,1,0]=4