0 B10R0.2 C#CCC(=O)CC(=O)OCC 1458a_100000243816_100000184674 [0,0,0,0,0,0|0,0,4]=4 1 B10R0.2 C#CCC(=O)CC(=O)OCC 1458a_100011220946_100000188475 [0,0,0,0,0,0|0,0,4]=4 2 B10R0.2 C#CCC(=O)CC(C)CCC 1458a_100000748435_100000184674 [0,0,0,0,0,0|2,0,2]=4 3 B10R0.2 C#CCC(=O)CC(C)CCC 1458a_100011220946_100011216630 [0,0,0,0,0,0|2,0,2]=4 4 B10R0.2 C#CCN(C)CC(=O)OCC 2230a_100000220588_100000038162 [0,0,0,0,0,0|2,0,2]=4 5 B10R0.2 C#CCN(C)CC(=O)OCC 2230a_100000225692_100000188475 [0,0,0,0,0,0|2,0,2]=4 6 B10R0.2 C#CCN(C)CC(=O)OCC 34a_100000225692_100000188475 [0,0,0,0,0,0|2,0,2]=4 7 B10R0.2 C=C(CCC)CC(=O)CCC 1458a_100000138376_100000210303 [0,0,0,0,0,0|2,0,1]=3 8 B10R0.2 C=C(CCC)CC(=O)CCF 1458a_100000138376_100011217306 [0,0,0,0,0,0|3,0,1]=4 9 B10R0.2 C=C(CCC)CC(=O)CCO 1458a_100000138376_100000211926 [0,0,0,0,0,0|3,0,1]=4 10 B10R0.2 C=C(CCC)CC(=O)NCC 11a_100015525214_100000138376 [0,0,0,0,0,0|2,0,1]=3 11 B10R0.2 C=C(CCC)CC(=O)NCC 240690a_100015525214_100000138376 [0,0,0,0,0,0|2,0,1]=3 12 B10R0.2 C=C(CCC)CC(=O)NCC 527a_100015525214_100000138376 [0,0,0,0,0,0|2,0,1]=3 13 B10R0.2 C=C(CCC)CC(=O)NNC 22a_100016993582_100000138376 [0,0,0,0,0,0|3,0,1]=4 14 B10R0.2 C=CCC(=O)CC(=O)OCC 1458a_100000210193_100000188475 [0,0,0,0,0,0|0,0,4]=4 15 B10R0.2 C=CCC(=O)CC(=O)OCC 1458a_100000243816_100000210623 [0,0,0,0,0,0|0,0,4]=4 16 B10R0.2 C=CCC(=O)CC(C)CCC 1458a_100000210193_100011216630 [0,0,0,0,0,0|2,0,2]=4 17 B10R0.2 C=CCC(=O)CC(C)CCC 1458a_100000748435_100000210623 [0,0,0,0,0,0|2,0,2]=4 18 B10R0.2 C=CCN(C)CC(=O)OCC 2230a_100000220588_100000210623 [0,0,0,0,0,0|2,0,2]=4 19 B10R0.2 C=CCN(C)CC(=O)OCC 2230a_100000225617_100000188475 [0,0,0,0,0,0|2,0,2]=4 20 B10R0.2 C=CCN(C)CC(=O)OCC 269982a_100000225617_100000188475 [0,0,0,0,0,0|2,0,2]=4 21 B10R0.2 C=COC(=O)CC(=O)CCC 1458a_100000211992_100000036128 [0,0,0,0,0,0|0,0,4]=4 22 B10R0.2 C=COC(=O)CN(C)CCC 2230a_100000747261_100000036128 [0,0,0,0,0,0|2,0,2]=4 23 B10R0.2 C=COC(=O)CN(C)CCC 269982a_100000747261_100000036128 [0,0,0,0,0,0|2,0,2]=4 24 B10R0.2 CC#CC(=O)CC(=O)CCC 1458a_100000763181_100000747444 [0,0,0,0,0,0|1,0,3]=4 25 B10R0.2 CC#CC(=O)CC(=O)OCC 1458a_100000763181_100000188475 [0,0,0,0,0,0|0,0,4]=4 26 B10R0.2 CC#CC(=O)CC(C)CCC 1458a_100000763181_100011216630 [0,0,0,0,0,0|2,0,1]=3 27 B10R0.2 CC=CC(=O)CC(=O)CCC 1458a_100000210699_100000747444 [0,0,0,0,0,0|1,0,3]=4 28 B10R0.2 CC=CC(=O)CC(=O)OCC 1458a_100000210699_100000188475 [0,0,0,0,0,0|0,0,4]=4 29 B10R0.2 CC=CC(=O)CC(C)CCC 1458a_100000210699_100011216630 [0,0,0,0,0,0|2,0,1]=3 30 B10R0.2 CC=CC(=O)NC(C)CCC 11a_100000741246_100000210699 [0,0,0,0,0,0|3,0,1]=4 31 B10R0.2 CC=CC(=O)NC(C)CCC 1626a_100000741246_100000210699 [0,0,0,0,0,0|3,0,1]=4 32 B10R0.2 CC=CC(=O)NC(C)CCC 240690a_100000741246_100000210699 [0,0,0,0,0,0|3,0,1]=4 33 B10R0.2 CCCC(=CC(=O)NCC)C 11a_100015525214_100020676950 [0,0,0,0,0,0|2,0,2]=4 34 B10R0.2 CCCC(=CC(=O)NCC)C 240690a_100015525214_100020676950 [0,0,0,0,0,0|2,0,2]=4 35 B10R0.2 CCCC(=O)C=C(C)CCC 1458a_100020676950_100000210303 [0,0,0,0,0,0|2,0,2]=4 36 B10R0.2 CCCC(=O)CC(=O)CCC 1458a_100000211992_100000747444 [0,0,0,0,0,0|1,0,2]=3 37 B10R0.2 CCCC(=O)CC(=O)CCO 1458a_100011216618_100000747444 [0,0,0,0,0,0|2,0,2]=4 38 B10R0.2 CCCC(=O)CC(=O)COC 1458a_100000210968_100000747444 [0,0,0,0,0,0|2,0,2]=4 39 B10R0.2 CCCC(=O)CC(=O)CSC 1458a_100000184570_100000747444 [0,0,0,0,0,0|2,0,2]=4 40 B10R0.2 CCCC(=O)CC(=O)NCC 1458a_100000211992_100000183381 [0,0,0,0,0,0|1,0,2]=3 41 B10R0.2 CCCC(=O)CC(=O)NCO 1458a_100000211992_100000185155 [0,0,0,0,0,0|2,0,2]=4 42 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000211992_100000188475 [0,0,0,0,0,0|0,0,2]=2 43 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000243816_100000210303 [0,0,0,0,0,0|0,0,2]=2 44 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000211992_100011216630 [0,0,0,0,0,0|2,0,0]=2 45 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000748435_100000210303 [0,0,0,0,0,0|2,0,0]=2 46 B10R0.2 CCCC(=O)CC(C)SCC 1458a_200011311441_100000210303 [0,0,0,0,0,0|3,0,0]=3 47 B10R0.2 CCCC(=O)CN(C)CCC 2230a_100000747261_100000747444 [0,0,0,0,0,0|3,0,0]=3 48 B10R0.2 CCCC(=O)CN(C)CCC 269982a_100000747261_100000747444 [0,0,0,0,0,0|3,0,0]=3 49 B10R0.2 CCCC(=O)CN(C)CCO 2230a_100000210263_100000747444 [0,0,0,0,0,0|4,0,0]=4 50 B10R0.2 CCCC(=O)CN(C)CCO 269982a_100000210263_100000747444 [0,0,0,0,0,0|4,0,0]=4 51 B10R0.2 CCCC(=O)CS(=O)CCC 1458a_100011387404_100000210303 [0,0,0,0,0,0|2,0,1]=3 52 B10R0.2 CCCC(=O)NC(C)CCC 11a_100000741246_100000211992 [0,0,0,0,0,0|3,0,0]=3 53 B10R0.2 CCCC(=O)NC(C)CCC 1626a_100000741246_100000211992 [0,0,0,0,0,0|3,0,0]=3 54 B10R0.2 CCCC(=O)NC(C)CCC 240690a_100000741246_100000211992 [0,0,0,0,0,0|3,0,0]=3 55 B10R0.2 CCCC(=O)NC(C)CCC 527a_100000741246_100000211992 [0,0,0,0,0,0|3,0,0]=3 56 B10R0.2 CCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000211992 [0,0,0,0,0,0|4,0,0]=4 57 B10R0.2 CCCC(=O)N[C@H](C)CCO 527a_100000706166_100000211992 [0,0,0,0,0,0|4,0,0]=4 58 B10R0.2 CCCC(=O)N[C@H](C)COC 11a_100000764878_100000211992 [0,0,0,0,0,0|4,0,0]=4 59 B10R0.2 CCCC(=O)N[C@H](C)COC 1626a_100000764878_100000211992 [0,0,0,0,0,0|4,0,0]=4 60 B10R0.2 CCCC(=O)N[C@H](C)COC 240690a_100000764878_100000211992 [0,0,0,0,0,0|4,0,0]=4 61 B10R0.2 CCCC(=O)N[C@H](C)COC 527a_100000764878_100000211992 [0,0,0,0,0,0|4,0,0]=4 62 B10R0.2 CCCC(C)CC(=O)C=CBr 1458a_100016273825_100011216630 [0,0,0,0,0,0|3,0,1]=4 63 B10R0.2 CCCC(C)CC(=O)C=CCl 1458a_200016279998_100011216630 [0,0,0,0,0,0|3,0,1]=4 64 B10R0.2 CCCC(C)CC(=O)C=CI 1458a_100016256311_100011216630 [0,0,0,0,0,0|3,0,1]=4 65 B10R0.2 CCCC(C)CC(=O)CC#N 1458a_100000748435_100011214920 [0,0,0,0,0,0|3,0,1]=4 66 B10R0.2 CCCC(C)CC(=O)CC#N 1458a_100051588842_100011216630 [0,0,0,0,0,0|3,0,1]=4 67 B10R0.2 CCCC(C)CC(=O)CCF 1458a_100000748435_100011217306 [0,0,0,0,0,0|3,0,0]=3 68 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100000748435_100000211926 [0,0,0,0,0,0|3,0,0]=3 69 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100011216618_100011216630 [0,0,0,0,0,0|3,0,0]=3 70 B10R0.2 CCCC(C)CC(=O)COC 1458a_100000210968_100011216630 [0,0,0,0,0,0|3,0,0]=3 71 B10R0.2 CCCC(C)CC(=O)CSC 1458a_100000184570_100011216630 [0,0,0,0,0,0|3,0,0]=3 72 B10R0.2 CCCC(C)CC(=O)NCC 11a_100015525214_100000748435 [0,0,0,0,0,0|2,0,0]=2 73 B10R0.2 CCCC(C)CC(=O)NCC 240690a_100015525214_100000748435 [0,0,0,0,0,0|2,0,0]=2 74 B10R0.2 CCCC(C)CC(=O)NCC 527a_100015525214_100000748435 [0,0,0,0,0,0|2,0,0]=2 75 B10R0.2 CCCC(C)CC(=O)NNC 22a_100016993582_100000748435 [0,0,0,0,0,0|3,0,0]=3 76 B10R0.2 CCCC(C)CN(C)CCC 2230a_100000747261_100011216630 [0,0,0,0,0,0|4,0,0]=4 77 B10R0.2 CCCC(C)CN(C)CCC 269982a_100000747261_100011216630 [0,0,0,0,0,0|4,0,0]=4 78 B10R0.2 CCCC(C)CN(C)CCC 270004a_100000747261_100000243154 [0,0,0,0,0,0|4,0,0]=4 79 B10R0.2 CCCC(C)NC(=O)CCO 240690a_100000741246_100011216618 [0,0,0,0,0,0|4,0,0]=4 80 B10R0.2 CCCC(C)NC(=O)COC 11a_100000741246_100000210968 [0,0,0,0,0,0|4,0,0]=4 81 B10R0.2 CCCC(C)NC(=O)COC 1626a_100000741246_100000210968 [0,0,0,0,0,0|4,0,0]=4 82 B10R0.2 CCCC(C)NC(=O)COC 240690a_100000741246_100000210968 [0,0,0,0,0,0|4,0,0]=4 83 B10R0.2 CCCC(C)NC(=O)COC 527a_100000741246_100000210968 [0,0,0,0,0,0|4,0,0]=4 84 B10R0.2 CCCC(C)NC(=O)CSC 11a_100000741246_100000184570 [0,0,0,0,0,0|4,0,0]=4 85 B10R0.2 CCCC(C)NC(=O)CSC 1626a_100000741246_100000184570 [0,0,0,0,0,0|4,0,0]=4 86 B10R0.2 CCCC(C)NC(=O)CSC 240690a_100000741246_100000184570 [0,0,0,0,0,0|4,0,0]=4 87 B10R0.2 CCCC(C)NC(=O)CSC 527a_100000741246_100000184570 [0,0,0,0,0,0|4,0,0]=4 88 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100000741246_100015525214 [0,0,0,0,0,0|3,0,0]=3 89 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100015525214_100000741246 [0,0,0,0,0,0|3,0,0]=3 90 B10R0.2 CCCC(C)NC(=O)NCC 273464a_100000741246_100015525214 [0,0,0,0,0,0|3,0,0]=3 91 B10R0.2 CCCC(C)NC(=O)NCC 512a_100000741246_100015525214 [0,0,0,0,0,0|3,0,0]=3 92 B10R0.2 CCCC(C)NC(=O)NCC 512a_100015525214_100000741246 [0,0,0,0,0,0|3,0,0]=3 93 B10R0.2 CCCC(C)NC(=O)NNC 273464a_100000741246_100016993582 [0,0,0,0,0,0|4,0,0]=4 94 B10R0.2 CCCC(C)NC(=O)NNC 512a_100000741246_100016993582 [0,0,0,0,0,0|4,0,0]=4 95 B10R0.2 CCCC(C)NC(=O)NNC 512a_100016993582_100000741246 [0,0,0,0,0,0|4,0,0]=4 96 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000741943_100000210303 [0,0,0,0,0,0|3,0,0]=3 97 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000747261_100000183381 [0,0,0,0,0,0|3,0,0]=3 98 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000741943_100000210303 [0,0,0,0,0,0|3,0,0]=3 99 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000747261_100000183381 [0,0,0,0,0,0|3,0,0]=3 100 B10R0.2 CCCN(C)CC(=O)NCO 2230a_100000747261_100000185155 [0,0,0,0,0,0|4,0,0]=4 101 B10R0.2 CCCN(C)CC(=O)NCO 269982a_100000747261_100000185155 [0,0,0,0,0,0|4,0,0]=4 102 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000220588_100000210303 [0,0,0,0,0,0|2,0,0]=2 103 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000221057_200000210301 [0,0,0,0,0,0|2,0,0]=2 104 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000747261_100000188475 [0,0,0,0,0,0|2,0,0]=2 105 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000221057_200000210301 [0,0,0,0,0,0|2,0,0]=2 106 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000747261_100000188475 [0,0,0,0,0,0|2,0,0]=2 107 B10R0.2 CCCN(C)CC(O)COC 2230a_100000739405_100000210303 [0,0,0,0,0,0|4,0,0]=4 108 B10R0.2 CCCN(C)CC(O)COC 269982a_100000739405_100000210303 [0,0,0,0,0,0|4,0,0]=4 109 B10R0.2 CCCN([13CH3])CC(=O)OCC 2230a_100000221057_200025704644 [0,0,0,0,0,0|2,0,0]=2 110 B10R0.2 CCCN([13CH3])CC(=O)OCC 269982a_100000221057_200025704644 [0,0,0,0,0,0|2,0,0]=2 111 B10R0.2 CCCS(=O)CC(=O)CCF 1458a_100011387404_100011217306 [0,0,0,0,0,0|3,0,1]=4 112 B10R0.2 CCCS(=O)CC(=O)CCO 1458a_100011387404_100000211926 [0,0,0,0,0,0|3,0,1]=4 113 B10R0.2 CCCS(=O)CC(=O)NCC 11a_100015525214_100011387404 [0,0,0,0,0,0|2,0,1]=3 114 B10R0.2 CCCS(=O)CC(=O)NCC 240690a_100015525214_100011387404 [0,0,0,0,0,0|2,0,1]=3 115 B10R0.2 CCCS(=O)CC(=O)NCC 527a_100015525214_100011387404 [0,0,0,0,0,0|2,0,1]=3 116 B10R0.2 CCCS(=O)CC(=O)NNC 22a_100016993582_100011387404 [0,0,0,0,0,0|3,0,1]=4 117 B10R0.2 CCNC(=O)CC(=O)CCO 1458a_100011216618_100000183381 [0,0,0,0,0,0|2,0,2]=4 118 B10R0.2 CCNC(=O)CC(=O)COC 1458a_100000210968_100000183381 [0,0,0,0,0,0|2,0,2]=4 119 B10R0.2 CCNC(=O)CC(=O)CSC 1458a_100000184570_100000183381 [0,0,0,0,0,0|2,0,2]=4 120 B10R0.2 CCNC(=O)CC(=O)OCC 240690a_100015525214_100000243816 [0,0,0,0,0,0|1,0,2]=3 121 B10R0.2 CCNC(=O)CC(C)SCC 11a_100015525214_200011311441 [0,0,0,0,0,0|3,0,0]=3 122 B10R0.2 CCNC(=O)CC(C)SCC 240690a_100015525214_200011311441 [0,0,0,0,0,0|3,0,0]=3 123 B10R0.2 CCNC(=O)CC(C)SCC 527a_100015525214_200011311441 [0,0,0,0,0,0|3,0,0]=3 124 B10R0.2 CCNC(=O)CN(C)CCF 2230a_100000741943_100011217306 [0,0,0,0,0,0|4,0,0]=4 125 B10R0.2 CCNC(=O)CN(C)CCF 269982a_100000741943_100011217306 [0,0,0,0,0,0|4,0,0]=4 126 B10R0.2 CCNC(=O)CN(C)CCO 2230a_100000210263_100000183381 [0,0,0,0,0,0|4,0,0]=4 127 B10R0.2 CCNC(=O)CN(C)CCO 2230a_100000741943_100000211926 [0,0,0,0,0,0|4,0,0]=4 128 B10R0.2 CCNC(=O)CN(C)CCO 269982a_100000210263_100000183381 [0,0,0,0,0,0|4,0,0]=4 129 B10R0.2 CCNC(=O)CN(C)CCO 269982a_100000741943_100000211926 [0,0,0,0,0,0|4,0,0]=4 130 B10R0.2 CCNC(=O)CN(C)COC 2230a_100000741943_100000766300 [0,0,0,0,0,0|4,0,0]=4 131 B10R0.2 CCNC(=O)CN(C)COC 269982a_100000741943_100000766300 [0,0,0,0,0,0|4,0,0]=4 132 B10R0.2 CCNC(=O)CN(C)CSC 2230a_100000741943_100011218213 [0,0,0,0,0,0|4,0,0]=4 133 B10R0.2 CCNC(=O)CN(C)CSC 269982a_100000741943_100011218213 [0,0,0,0,0,0|4,0,0]=4 134 B10R0.2 CCNC(=O)N[C@H](C)CCO 2708a_100015525214_100000706166 [0,0,0,0,0,0|4,0,0]=4 135 B10R0.2 CCNC(=O)N[C@H](C)CCO 273464a_100000706166_100015525214 [0,0,0,0,0,0|4,0,0]=4 136 B10R0.2 CCNC(=O)N[C@H](C)CCO 512a_100000706166_100015525214 [0,0,0,0,0,0|4,0,0]=4 137 B10R0.2 CCNC(=O)N[C@H](C)CCO 512a_100015525214_100000706166 [0,0,0,0,0,0|4,0,0]=4 138 B10R0.2 CCNC(=O)N[C@H](C)COC 2708a_100000764878_100015525214 [0,0,0,0,0,0|4,0,0]=4 139 B10R0.2 CCNC(=O)N[C@H](C)COC 2708a_100015525214_100000764878 [0,0,0,0,0,0|4,0,0]=4 140 B10R0.2 CCNC(=O)N[C@H](C)COC 273464a_100000764878_100015525214 [0,0,0,0,0,0|4,0,0]=4 141 B10R0.2 CCNC(=O)N[C@H](C)COC 273464a_100015525214_100000764878 [0,0,0,0,0,0|4,0,0]=4 142 B10R0.2 CCNC(=O)N[C@H](C)COC 512a_100000764878_100015525214 [0,0,0,0,0,0|4,0,0]=4 143 B10R0.2 CCNC(=O)N[C@H](C)COC 512a_100015525214_100000764878 [0,0,0,0,0,0|4,0,0]=4 144 B10R0.2 CCNC(C)CC(=O)OCC 2230a_100015525214_100009817359 [0,0,0,0,0,0|2,0,0]=2 145 B10R0.2 CCOC(=O)C=C(C)CNC 2230a_106832991635_100135422193 [0,0,0,0,0,0|2,0,2]=4 146 B10R0.2 CCOC(=O)C=C(C)CNC 34a_100102657272_100135422193 [0,0,0,0,0,0|2,0,2]=4 147 B10R0.2 CCOC(=O)C=C(C)CNC 7a_106832991635_100135422193 [0,0,0,0,0,0|2,0,2]=4 148 B10R0.2 CCOC(=O)C=C(C)COC 34a_100138415774_100135422193 [0,0,0,0,0,0|2,0,2]=4 149 B10R0.2 CCOC(=O)C=C(C)CSC 62a_100135422193_200000210301 [0,0,0,0,0,0|2,0,2]=4 150 B10R0.2 CCOC(=O)C=C(C)CSC 62a_200000210301_100135422193 [0,0,0,0,0,0|2,0,2]=4 151 B10R0.2 CCOC(=O)C=C(C)CS[13CH3] 62a_100135422193_200025704644 [0,0,0,0,0,0|2,0,2]=4 152 B10R0.2 CCOC(=O)C=C(C)CS[13CH3] 62a_200025704644_100135422193 [0,0,0,0,0,0|2,0,2]=4 153 B10R0.2 CCOC(=O)CC(=O)CC#N 1458a_100000243816_100011214920 [0,0,0,0,0,0|1,0,3]=4 154 B10R0.2 CCOC(=O)CC(=O)CC#N 1458a_100051588842_100000188475 [0,0,0,0,0,0|1,0,3]=4 155 B10R0.2 CCOC(=O)CC(=O)CCF 1458a_100000243816_100011217306 [0,0,0,0,0,0|1,0,2]=3 156 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100000243816_100000211926 [0,0,0,0,0,0|1,0,2]=3 157 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100011216618_100000188475 [0,0,0,0,0,0|1,0,2]=3 158 B10R0.2 CCOC(=O)CC(=O)COC 1458a_100000210968_100000188475 [0,0,0,0,0,0|1,0,2]=3 159 B10R0.2 CCOC(=O)CC(=O)CSC 1458a_100000184570_100000188475 [0,0,0,0,0,0|1,0,2]=3 160 B10R0.2 CCOC(=O)CC(=O)CSC 62a_100000210311_200000210301 [0,0,0,0,0,0|1,0,2]=3 161 B10R0.2 CCOC(=O)CC(=O)CSC 62a_200000210301_100000210311 [0,0,0,0,0,0|1,0,2]=3 162 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_100000210311_200025704644 [0,0,0,0,0,0|1,0,2]=3 163 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210311 [0,0,0,0,0,0|1,0,2]=3 164 B10R0.2 CCOC(=O)CC(=O)NNC 22a_100016993582_100000243816 [0,0,0,0,0,0|2,0,2]=4 165 B10R0.2 CCOC(=O)CC(C)SCC 62a_100000210202_100009817359 [0,0,0,0,0,0|2,0,0]=2 166 B10R0.2 CCOC(=O)CC(C)SCC 62a_100009817359_100000210202 [0,0,0,0,0,0|2,0,0]=2 167 B10R0.2 CCOC(=O)CC(C)SCF 62a_100009817359_100015361967 [0,0,0,0,0,0|3,0,0]=3 168 B10R0.2 CCOC(=O)CC(C)SCF 62a_100015361967_100009817359 [0,0,0,0,0,0|3,0,0]=3 169 B10R0.2 CCOC(=O)CN(C)CC#N 2230a_100000220588_100011215382 [0,0,0,0,0,0|3,0,1]=4 170 B10R0.2 CCOC(=O)CN(C)CC#N 2230a_100000748184_100000188475 [0,0,0,0,0,0|3,0,1]=4 171 B10R0.2 CCOC(=O)CN(C)CC=O 2230a_100000220588_200015260668 [0,0,0,0,0,0|3,0,1]=4 172 B10R0.2 CCOC(=O)CN(C)CCF 2230a_100000220588_100011217306 [0,0,0,0,0,0|3,0,0]=3 173 B10R0.2 CCOC(=O)CN(C)CCO 2230a_100000210263_100000188475 [0,0,0,0,0,0|3,0,0]=3 174 B10R0.2 CCOC(=O)CN(C)CCO 2230a_100000220588_100000211926 [0,0,0,0,0,0|3,0,0]=3 175 B10R0.2 CCOC(=O)CN(C)CCO 269982a_100000210263_100000188475 [0,0,0,0,0,0|3,0,0]=3 176 B10R0.2 CCOC(=O)CN(C)COC 2230a_100000220588_100000766300 [0,0,0,0,0,0|3,0,0]=3 177 B10R0.2 CCOC(=O)CN(C)CSC 2230a_100000220588_100011218213 [0,0,0,0,0,0|3,0,0]=3 178 B10R0.2 CCOC(=O)C[C@@H](C)OCC 7a_100009816390_100000210202 [0,0,0,0,0,0|2,0,0]=2 179 B10R0.2 CCOC(=O)C[C@@H](C)OCF 7a_100009816390_100015361967 [0,0,0,0,0,0|3,0,0]=3 180 B10R0.2 CCOC(=O)C[C@H](O)CNC 34a_100102657272_100000688340 [0,0,0,0,0,0|1,0,0]=1 181 B10R0.2 CCOC(=O)C[C@H](O)CNC 7a_106832991635_100000688340 [0,0,0,0,0,0|1,0,0]=1 182 B10R0.2 CCOC(=O)C[C@H](O)COC 34a_100138415774_100000688340 [0,0,0,0,0,0|1,0,0]=1 183 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_100000688340_200000210301 [0,0,0,0,0,0|1,0,0]=1 184 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_200000210301_100000688340 [0,0,0,0,0,0|1,0,0]=1 185 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_100000688340_200025704644 [0,0,0,0,0,0|1,0,0]=1 186 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_200025704644_100000688340 [0,0,0,0,0,0|1,0,0]=1 187 B10R0.2 CCOC(=O)NC(=O)CNC 7a_106832991635_100000010344 [0,0,0,0,0,0|2,0,2]=4 188 B10R0.2 CCOC(=O)NC(=O)CSC 62a_200000210301_100000010344 [0,0,0,0,0,0|2,0,2]=4 189 B10R0.2 CCOC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000010344 [0,0,0,0,0,0|2,0,2]=4 190 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000036008_100000210202 [0,0,0,0,0,0|3,0,0]=3 191 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000210202_100000036008 [0,0,0,0,0,0|3,0,0]=3 192 B10R0.2 CCOC(=O)OC(C)SCF 62a_100000036008_100015361967 [0,0,0,0,0,0|4,0,0]=4 193 B10R0.2 CCOC(=O)OC(C)SCF 62a_100015361967_100000036008 [0,0,0,0,0,0|4,0,0]=4 194 B10R0.2 CCSC(C)CC(=O)CCF 1458a_200011311441_100011217306 [0,0,0,0,0,0|4,0,0]=4 195 B10R0.2 CCSC(C)CC(=O)CCO 1458a_200011311441_100000211926 [0,0,0,0,0,0|4,0,0]=4 196 B10R0.2 CCSC(C)CC(=O)NNC 22a_100016993582_200011311441 [0,0,0,0,0,0|4,0,0]=4 197 B9R0.5 C#CCC(=O)CCCCC 1458a_100000212188_100000184674 [1,0,0,0,0,0|1,0,2]=4 198 B9R0.5 C#CCC(=O)CCCCC 1458a_100011220946_100000210326 [1,0,0,0,0,0|1,0,2]=4 199 B9R0.5 C#CCCCC(=O)CCC 1458a_100000211992_100000731252 [1,0,0,0,0,0|1,0,2]=4 200 B9R0.5 C#CCCCC(=O)CCC 1458a_100000690238_100000210303 [1,0,0,0,0,0|1,0,2]=4 201 B9R0.5 C#CCCCC(=O)NCC 11a_100015525214_100000690238 [1,0,0,0,0,0|1,0,2]=4 202 B9R0.5 C#CCCCC(=O)NCC 240690a_100015525214_100000690238 [1,0,0,0,0,0|1,0,2]=4 203 B9R0.5 C#CCCCC(=O)NCC 527a_100015525214_100000690238 [1,0,0,0,0,0|1,0,2]=4 204 B9R0.5 C#CCNCC(=O)OCC 34a_100000212058_100000188475 [1,0,0,0,0,0|1,0,2]=4 205 B9R0.5 C#CCOCC(=O)OCC 34a_100000210247_100000188475 [1,0,0,0,0,0|1,0,2]=4 206 B9R0.5 C#CCSCC(=O)OCC 62a_100000038162_100000188475 [1,0,0,0,0,0|1,0,2]=4 207 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [1,0,0,0,0,0|1,0,2]=4 208 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [1,0,0,0,0,0|1,0,2]=4 209 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [1,0,0,0,0,0|1,0,2]=4 210 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [1,0,0,0,0,0|1,0,2]=4 211 B9R0.5 C=CCCCC(=O)NCC 11a_100015525214_100000766728 [1,0,0,0,0,0|1,0,2]=4 212 B9R0.5 C=CCCCC(=O)NCC 240690a_100015525214_100000766728 [1,0,0,0,0,0|1,0,2]=4 213 B9R0.5 C=CCCCC(=O)NCC 527a_100015525214_100000766728 [1,0,0,0,0,0|1,0,2]=4 214 B9R0.5 C=CCNCC(=O)OCC 2230a_100020586998_100000188475 [1,0,0,0,0,0|1,0,2]=4 215 B9R0.5 C=CCOCC(=O)OCC 34a_200000210373_100000188475 [1,0,0,0,0,0|1,0,2]=4 216 B9R0.5 C=CCSCC(=O)OCC 62a_100000188475_100000210623 [1,0,0,0,0,0|1,0,2]=4 217 B9R0.5 C=CCSCC(=O)OCC 62a_100000210623_100000188475 [1,0,0,0,0,0|1,0,2]=4 218 B9R0.5 C=COC(=O)COCCC 34a_100000210258_100000036128 [1,0,0,0,0,0|1,0,2]=4 219 B9R0.5 C=COC(=O)CSCCC 62a_100000036128_100000210303 [1,0,0,0,0,0|1,0,2]=4 220 B9R0.5 C=COC(=O)CSCCC 62a_100000210303_100000036128 [1,0,0,0,0,0|1,0,2]=4 221 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [1,0,0,0,0,0|1,0,1]=3 222 B9R0.5 CC#CC(=O)CCCCF 1458a_100000763181_100000729493 [1,0,0,0,0,0|2,0,1]=4 223 B9R0.5 CC#CC(=O)CCCCO 1458a_100000763181_100000210776 [1,0,0,0,0,0|2,0,1]=4 224 B9R0.5 CC#CC(=O)CCCOC 1458a_100000763181_100000740836 [1,0,0,0,0,0|2,0,1]=4 225 B9R0.5 CC#CC(=O)CCOCC 1458a_100000763181_100011215890 [1,0,0,0,0,0|2,0,1]=4 226 B9R0.5 CC#CC(=O)CCSCC 1458a_100000763181_100000757381 [1,0,0,0,0,0|2,0,1]=4 227 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [1,0,0,0,0,0|1,0,2]=4 228 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [1,0,0,0,0,0|1,0,2]=4 229 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [1,0,0,0,0,0|1,0,2]=4 230 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [1,0,0,0,0,0|1,0,2]=4 231 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [1,0,0,0,0,0|1,0,2]=4 232 B9R0.5 CC/C=C\CN(C)CCC 2230a_100000747261_100103147603 [1,0,0,0,0,0|3,0,0]=4 233 B9R0.5 CC/C=C\CN(C)CCC 269982a_100000747261_100103147603 [1,0,0,0,0,0|3,0,0]=4 234 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [1,0,0,0,0,0|1,0,1]=3 235 B9R0.5 CC=CC(=O)CCCCF 1458a_100000210699_100000729493 [1,0,0,0,0,0|2,0,1]=4 236 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [1,0,0,0,0,0|2,0,1]=4 237 B9R0.5 CC=CC(=O)CCCOC 1458a_100000210699_100000740836 [1,0,0,0,0,0|2,0,1]=4 238 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [1,0,0,0,0,0|2,0,1]=4 239 B9R0.5 CC=CC(=O)CCSCC 1458a_100000210699_100000757381 [1,0,0,0,0,0|2,0,1]=4 240 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [1,0,0,0,0,0|2,0,1]=4 241 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [1,0,0,0,0,0|2,0,1]=4 242 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [1,0,0,0,0,0|2,0,1]=4 243 B9R0.5 CCC#CCC(=O)CCC 1458a_100000211992_100009813939 [1,0,0,0,0,0|1,0,2]=4 244 B9R0.5 CCCC#CC(=O)CCC 1458a_200011218047_100000210303 [1,0,0,0,0,0|1,0,2]=4 245 B9R0.5 CCCC#CC(=O)NCC 240690a_100015525214_200011218047 [1,0,0,0,0,0|1,0,2]=4 246 B9R0.5 CCCC(=O)C=COCC 1458a_100016266692_100000210303 [1,0,0,0,0,0|0,0,3]=4 247 B9R0.5 CCCC(=O)CCCC#N 1458a_100000075515_100000210303 [1,0,0,0,0,0|2,0,1]=4 248 B9R0.5 CCCC(=O)CCCC#N 1458a_100000211992_100000211468 [1,0,0,0,0,0|2,0,1]=4 249 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [1,0,0,0,0,0|2,0,0]=3 250 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [1,0,0,0,0,0|2,0,0]=3 251 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [1,0,0,0,0,0|2,0,0]=3 252 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [1,0,0,0,0,0|2,0,0]=3 253 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [1,0,0,0,0,0|2,0,0]=3 254 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [1,0,0,0,0,0|2,0,0]=3 255 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [1,0,0,0,0,0|2,0,0]=3 256 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [1,0,0,0,0,0|2,0,0]=3 257 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [1,0,0,0,0,0|2,0,0]=3 258 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [1,0,0,0,0,0|2,0,0]=3 259 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [1,0,0,0,0,0|3,0,0]=4 260 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [1,0,0,0,0,0|3,0,0]=4 261 B9R0.5 CCCC(=O)CSCCF 62a_100000747444_100011217306 [1,0,0,0,0,0|3,0,0]=4 262 B9R0.5 CCCC(=O)CSCCF 62a_100011217306_100000747444 [1,0,0,0,0,0|3,0,0]=4 263 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [1,0,0,0,0,0|3,0,0]=4 264 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [1,0,0,0,0,0|3,0,0]=4 265 B9R0.5 CCCC(=O)CSCOC 62a_100000747444_100000766300 [1,0,0,0,0,0|3,0,0]=4 266 B9R0.5 CCCC(=O)CSCOC 62a_100000766300_100000747444 [1,0,0,0,0,0|3,0,0]=4 267 B9R0.5 CCCC(=O)CSCSC 62a_100000747444_100011218213 [1,0,0,0,0,0|3,0,0]=4 268 B9R0.5 CCCC(=O)CSCSC 62a_100011218213_100000747444 [1,0,0,0,0,0|3,0,0]=4 269 B9R0.5 CCCC(=O)NCCCF 11a_100015189416_100000211992 [1,0,0,0,0,0|3,0,0]=4 270 B9R0.5 CCCC(=O)NCCCF 1626a_100015189416_100000211992 [1,0,0,0,0,0|3,0,0]=4 271 B9R0.5 CCCC(=O)NCCCF 240690a_100015189416_100000211992 [1,0,0,0,0,0|3,0,0]=4 272 B9R0.5 CCCC(=O)NCCCF 527a_100015189416_100000211992 [1,0,0,0,0,0|3,0,0]=4 273 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [1,0,0,0,0,0|3,0,0]=4 274 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [1,0,0,0,0,0|3,0,0]=4 275 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [1,0,0,0,0,0|3,0,0]=4 276 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [1,0,0,0,0,0|3,0,0]=4 277 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [1,0,0,0,0,0|3,0,0]=4 278 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [1,0,0,0,0,0|3,0,0]=4 279 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [1,0,0,0,0,0|3,0,0]=4 280 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [1,0,0,0,0,0|3,0,0]=4 281 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [1,0,0,0,0,0|3,0,0]=4 282 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [1,0,0,0,0,0|3,0,0]=4 283 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [1,0,0,0,0,0|3,0,0]=4 284 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [1,0,0,0,0,0|3,0,0]=4 285 B9R0.5 CCCC(C)CCOCC 34a_100011217855_100000210202 [1,0,0,0,0,0|1,0,1]=3 286 B9R0.5 CCCC(C)CCOCC 7a_100011217855_100000210202 [1,0,0,0,0,0|1,0,1]=3 287 B9R0.5 CCCC(C)CCOCF 34a_100011217855_100015361967 [1,0,0,0,0,0|2,0,1]=4 288 B9R0.5 CCCC(C)CCOCF 7a_100011217855_100015361967 [1,0,0,0,0,0|2,0,1]=4 289 B9R0.5 CCCC(C)SCOCC 62a_100000739092_100000766640 [1,0,0,0,0,0|2,0,1]=4 290 B9R0.5 CCCC(C)SCOCC 62a_100000766640_100000739092 [1,0,0,0,0,0|2,0,1]=4 291 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [1,0,0,0,0,0|1,0,2]=4 292 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [1,0,0,0,0,0|1,0,2]=4 293 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [1,0,0,0,0,0|1,0,2]=4 294 B9R0.5 CCCCCC(=O)C=CBr 1458a_100016273825_100000210326 [1,0,0,0,0,0|2,0,1]=4 295 B9R0.5 CCCCCC(=O)C=CCl 1458a_200016279998_100000210326 [1,0,0,0,0,0|2,0,1]=4 296 B9R0.5 CCCCCC(=O)C=CI 1458a_100016256311_100000210326 [1,0,0,0,0,0|2,0,1]=4 297 B9R0.5 CCCCCC(=O)CC#N 1458a_100000212188_100011214920 [1,0,0,0,0,0|2,0,1]=4 298 B9R0.5 CCCCCC(=O)CC#N 1458a_100051588842_100000210326 [1,0,0,0,0,0|2,0,1]=4 299 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [1,0,0,0,0,0|1,0,0]=2 300 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [1,0,0,0,0,0|1,0,0]=2 301 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [1,0,0,0,0,0|2,0,0]=3 302 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [1,0,0,0,0,0|2,0,0]=3 303 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [1,0,0,0,0,0|2,0,0]=3 304 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [1,0,0,0,0,0|2,0,0]=3 305 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [1,0,0,0,0,0|2,0,0]=3 306 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [1,0,0,0,0,0|2,0,0]=3 307 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [1,0,0,0,0,0|2,0,0]=3 308 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [1,0,0,0,0,0|2,0,0]=3 309 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [1,0,0,0,0,0|2,0,0]=3 310 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [1,0,0,0,0,0|2,0,0]=3 311 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [1,0,0,0,0,0|2,0,0]=3 312 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [1,0,0,0,0,0|2,0,0]=3 313 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [1,0,0,0,0,0|2,0,0]=3 314 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [1,0,0,0,0,0|1,0,0]=2 315 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [1,0,0,0,0,0|1,0,0]=2 316 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [1,0,0,0,0,0|1,0,0]=2 317 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [1,0,0,0,0,0|2,0,0]=3 318 B9R0.5 CCCCCC(C)NCC 2230a_100000211957_100000210202 [1,0,0,0,0,0|2,0,1]=4 319 B9R0.5 CCCCCC(C)NCC 2230a_100015525214_200011218191 [1,0,0,0,0,0|2,0,1]=4 320 B9R0.5 CCCCCC(C)NCC 270004a_100015525214_100000211708 [1,0,0,0,0,0|2,0,1]=4 321 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [1,0,0,0,0,0|1,0,1]=3 322 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [1,0,0,0,0,0|1,0,1]=3 323 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [1,0,0,0,0,0|1,0,1]=3 324 B9R0.5 CCCCCC(C)OCF 34a_100011215632_100015361967 [1,0,0,0,0,0|2,0,1]=4 325 B9R0.5 CCCCCC(C)OCF 7a_100011215632_100015361967 [1,0,0,0,0,0|2,0,1]=4 326 B9R0.5 CCCCCC(C)SCC 62a_100000210202_200011218191 [1,0,0,0,0,0|1,1,1]=4 327 B9R0.5 CCCCCC(C)SCC 62a_200011218191_100000210202 [1,0,0,0,0,0|1,1,1]=4 328 B9R0.5 CCCCCN(C)CCC 2230a_100000223495_100000210303 [1,0,0,0,0,0|3,0,0]=4 329 B9R0.5 CCCCCN(C)CCC 2230a_100000747261_100000210326 [1,0,0,0,0,0|3,0,0]=4 330 B9R0.5 CCCCCN(C)CCC 2230a_200000226819_200000210301 [1,0,0,0,0,0|3,0,0]=4 331 B9R0.5 CCCCCN(C)CCC 269982a_100000223495_100000210303 [1,0,0,0,0,0|3,0,0]=4 332 B9R0.5 CCCCCN(C)CCC 269982a_100000747261_100000210215 [1,0,0,0,0,0|3,0,0]=4 333 B9R0.5 CCCCCN(C)CCC 269982a_200000226819_200000210301 [1,0,0,0,0,0|3,0,0]=4 334 B9R0.5 CCCCCN([13CH3])CCC 2230a_200000226819_200025704644 [1,0,0,0,0,0|3,0,0]=4 335 B9R0.5 CCCCCN([13CH3])CCC 269982a_200000226819_200025704644 [1,0,0,0,0,0|3,0,0]=4 336 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [1,0,0,0,0,0|2,0,0]=3 337 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [1,0,0,0,0,0|2,0,0]=3 338 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [1,0,0,0,0,0|2,0,0]=3 339 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [1,0,0,0,0,0|2,0,0]=3 340 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [1,0,0,0,0,0|3,0,0]=4 341 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [1,0,0,0,0,0|3,0,0]=4 342 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [1,0,0,0,0,0|3,0,0]=4 343 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [1,0,0,0,0,0|3,0,0]=4 344 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [1,0,0,0,0,0|3,0,0]=4 345 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [1,0,0,0,0,0|3,0,0]=4 346 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [1,0,0,0,0,0|3,0,0]=4 347 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [1,0,0,0,0,0|3,0,0]=4 348 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [1,0,0,0,0,0|3,0,0]=4 349 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [1,0,0,0,0,0|3,0,0]=4 350 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [1,0,0,0,0,0|3,0,0]=4 351 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [1,0,0,0,0,0|3,0,0]=4 352 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [1,0,0,0,0,0|3,0,0]=4 353 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [1,0,0,0,0,0|3,0,0]=4 354 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [1,0,0,0,0,0|3,0,0]=4 355 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [1,0,0,0,0,0|3,0,0]=4 356 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [1,0,0,0,0,0|3,0,0]=4 357 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [1,0,0,0,0,0|2,0,0]=3 358 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [1,0,0,0,0,0|2,0,0]=3 359 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [1,0,0,0,0,0|2,0,0]=3 360 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [1,0,0,0,0,0|2,0,0]=3 361 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [1,0,0,0,0,0|2,0,0]=3 362 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [1,0,0,0,0,0|2,0,0]=3 363 B9R0.5 CCCCNC(=O)NNC 273464a_100000102301_100016993582 [1,0,0,0,0,0|3,0,0]=4 364 B9R0.5 CCCCNC(=O)NNC 512a_100000102301_100016993582 [1,0,0,0,0,0|3,0,0]=4 365 B9R0.5 CCCCNC(=O)NNC 512a_100016993582_100000102301 [1,0,0,0,0,0|3,0,0]=4 366 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [1,0,0,0,0,0|3,0,0]=4 367 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [1,0,0,0,0,0|3,0,0]=4 368 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [1,0,0,0,0,0|3,0,0]=4 369 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [1,0,0,0,0,0|3,0,0]=4 370 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [1,0,0,0,0,0|3,0,0]=4 371 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [1,0,0,0,0,0|3,0,0]=4 372 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [1,0,0,0,0,0|3,0,0]=4 373 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [1,0,0,0,0,0|3,0,0]=4 374 B9R0.5 CCCN(C)CCOCC 2230a_100000747261_100011215890 [1,0,0,0,0,0|2,0,1]=4 375 B9R0.5 CCCN(C)CCOCC 269982a_100000747261_100011215890 [1,0,0,0,0,0|2,0,1]=4 376 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [1,0,0,0,0,0|2,0,0]=3 377 B9R0.5 CCCNCC(C)CCC 270004a_100020643023_100000243154 [1,0,0,0,0,0|3,0,0]=4 378 B9R0.5 CCCNCC(O)COC 2230a_100000756049_100000210303 [1,0,0,0,0,0|3,0,0]=4 379 B9R0.5 CCCNCC(O)COC 34a_100000756049_100000210303 [1,0,0,0,0,0|3,0,0]=4 380 B9R0.5 CCCNNC(=O)CCC 22a_100000740057_100000211992 [1,0,0,0,0,0|3,0,0]=4 381 B9R0.5 CCCNNC(=O)NCC 273464a_100015525214_100000740057 [1,0,0,0,0,0|3,0,0]=4 382 B9R0.5 CCCNNC(=O)NCC 512a_100000740057_100015525214 [1,0,0,0,0,0|3,0,0]=4 383 B9R0.5 CCCNNC(=O)NCC 512a_100015525214_100000740057 [1,0,0,0,0,0|3,0,0]=4 384 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [1,0,0,0,0,0|2,0,0]=3 385 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [1,0,0,0,0,0|3,0,0]=4 386 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [1,0,0,0,0,0|3,0,0]=4 387 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [1,0,0,0,0,0|2,0,0]=3 388 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [1,0,0,0,0,0|2,0,0]=3 389 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [1,0,0,0,0,0|2,0,0]=3 390 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [1,0,0,0,0,0|2,0,0]=3 391 B9R0.5 CCCOCC(=O)NCO 34a_100000210258_100000185155 [1,0,0,0,0,0|3,0,0]=4 392 B9R0.5 CCCOCC(=O)NNC 22a_100016993582_100000745993 [1,0,0,0,0,0|3,0,0]=4 393 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [1,0,0,0,0,0|1,0,0]=2 394 B9R0.5 CCCOCC(C)CCC 34a_100000210258_100011216630 [1,0,0,0,0,0|3,0,0]=4 395 B9R0.5 CCCOCC(C)CCC 34a_100000688023_100000210303 [1,0,0,0,0,0|3,0,0]=4 396 B9R0.5 CCCOCC(C)CCC 7a_100000688023_100000210303 [1,0,0,0,0,0|3,0,0]=4 397 B9R0.5 CCCOCC(O)COC 34a_100000210258_100011215053 [1,0,0,0,0,0|3,0,0]=4 398 B9R0.5 CCCOC[C@@H](N)CCC 34a_100000732646_100000210303 [1,0,0,0,0,0|3,0,0]=4 399 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [1,0,0,0,0,0|2,0,0]=3 400 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [1,0,0,0,0,0|2,0,0]=3 401 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [1,0,0,0,0,0|2,0,0]=3 402 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [1,0,0,0,0,0|3,0,0]=4 403 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [1,0,0,0,0,0|3,0,0]=4 404 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [1,0,0,0,0,0|2,0,0]=3 405 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [1,0,0,0,0,0|2,0,0]=3 406 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [1,0,0,0,0,0|2,0,0]=3 407 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [1,0,0,0,0,0|2,0,0]=3 408 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [1,0,0,0,0,0|2,0,0]=3 409 B9R0.5 CCCSCC(=O)NCO 62a_100000185155_100000210303 [1,0,0,0,0,0|3,0,0]=4 410 B9R0.5 CCCSCC(=O)NCO 62a_100000210303_100000185155 [1,0,0,0,0,0|3,0,0]=4 411 B9R0.5 CCCSCC(=O)NNC 22a_100016993582_100000217233 [1,0,0,0,0,0|3,0,0]=4 412 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [1,0,0,0,0,0|1,0,0]=2 413 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [1,0,0,0,0,0|1,0,0]=2 414 B9R0.5 CCCSCC(C)CCC 62a_100000210303_100011216630 [1,0,0,0,0,0|3,0,0]=4 415 B9R0.5 CCCSCC(C)CCC 62a_100011216630_100000210303 [1,0,0,0,0,0|3,0,0]=4 416 B9R0.5 CCCSCC(O)COC 62a_100000210303_100011215053 [1,0,0,0,0,0|3,0,0]=4 417 B9R0.5 CCCSCC(O)COC 62a_100011215053_100000210303 [1,0,0,0,0,0|3,0,0]=4 418 B9R0.5 CCC[C@H](N)CCOCC 34a_100015193777_100000210202 [1,0,0,0,0,0|1,0,1]=3 419 B9R0.5 CCC[C@H](N)CCOCF 34a_100015193777_100015361967 [1,0,0,0,0,0|2,0,1]=4 420 B9R0.5 CCNC(=O)CCCC#N 11a_100015525214_100000075515 [1,0,0,0,0,0|2,0,1]=4 421 B9R0.5 CCNC(=O)CCCC#N 240690a_100015525214_100000075515 [1,0,0,0,0,0|2,0,1]=4 422 B9R0.5 CCNC(=O)CCCC#N 527a_100015525214_100000075515 [1,0,0,0,0,0|2,0,1]=4 423 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [1,0,0,0,0,0|2,0,0]=3 424 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [1,0,0,0,0,0|2,0,0]=3 425 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [1,0,0,0,0,0|2,0,0]=3 426 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [1,0,0,0,0,0|2,0,0]=3 427 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [1,0,0,0,0,0|2,0,0]=3 428 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [1,0,0,0,0,0|2,0,0]=3 429 B9R0.5 CCNC(=O)CCNCF 34a_100025743525_100015361967 [1,0,0,0,0,0|3,0,0]=4 430 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [1,0,0,0,0,0|2,0,0]=3 431 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [1,0,0,0,0,0|2,0,0]=3 432 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [1,0,0,0,0,0|2,0,0]=3 433 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [1,0,0,0,0,0|2,0,0]=3 434 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [1,0,0,0,0,0|2,0,0]=3 435 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [1,0,0,0,0,0|2,0,0]=3 436 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [1,0,0,0,0,0|2,0,0]=3 437 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [1,0,0,0,0,0|2,0,0]=3 438 B9R0.5 CCNC(=O)CCSCF 62a_100000737597_100015361967 [1,0,0,0,0,0|3,0,0]=4 439 B9R0.5 CCNC(=O)CCSCF 62a_100015361967_100000737597 [1,0,0,0,0,0|3,0,0]=4 440 B9R0.5 CCNC(=O)CNCCF 2230a_100016988866_100011217306 [1,0,0,0,0,0|3,0,0]=4 441 B9R0.5 CCNC(=O)CNCCF 34a_100000724931_100000183381 [1,0,0,0,0,0|3,0,0]=4 442 B9R0.5 CCNC(=O)CNCCO 2230a_100016988866_100000211926 [1,0,0,0,0,0|3,0,0]=4 443 B9R0.5 CCNC(=O)CNCCO 2230a_100016997473_100000183381 [1,0,0,0,0,0|3,0,0]=4 444 B9R0.5 CCNC(=O)CNCCO 34a_100016990907_100000183381 [1,0,0,0,0,0|3,0,0]=4 445 B9R0.5 CCNC(=O)CNCOC 2230a_100016988866_100000766300 [1,0,0,0,0,0|3,0,0]=4 446 B9R0.5 CCNC(=O)CNCSC 2230a_100016988866_100011218213 [1,0,0,0,0,0|3,0,0]=4 447 B9R0.5 CCNC(=O)COCCBr 34a_100000211926_100000183381 [1,0,0,0,0,0|3,0,0]=4 448 B9R0.5 CCNC(=O)COCCN 34a_100000210304_100000183381 [1,0,0,0,0,0|3,0,0]=4 449 B9R0.5 CCNC(=O)COCCO 240690a_100015525214_100000708028 [1,0,0,0,0,0|3,0,0]=4 450 B9R0.5 CCNC(=O)CSCCF 62a_100000183381_100011217306 [1,0,0,0,0,0|3,0,0]=4 451 B9R0.5 CCNC(=O)CSCCF 62a_100011217306_100000183381 [1,0,0,0,0,0|3,0,0]=4 452 B9R0.5 CCNC(=O)CSCCO 62a_100000183381_100000211926 [1,0,0,0,0,0|3,0,0]=4 453 B9R0.5 CCNC(=O)CSCCO 62a_100000211926_100000183381 [1,0,0,0,0,0|3,0,0]=4 454 B9R0.5 CCNC(=O)CSCOC 62a_100000183381_100000766300 [1,0,0,0,0,0|3,0,0]=4 455 B9R0.5 CCNC(=O)CSCOC 62a_100000766300_100000183381 [1,0,0,0,0,0|3,0,0]=4 456 B9R0.5 CCNC(=O)CSCSC 62a_100000183381_100011218213 [1,0,0,0,0,0|3,0,0]=4 457 B9R0.5 CCNC(=O)CSCSC 62a_100011218213_100000183381 [1,0,0,0,0,0|3,0,0]=4 458 B9R0.5 CCNC(=O)NCCCF 2708a_100015189416_100015525214 [1,0,0,0,0,0|3,0,0]=4 459 B9R0.5 CCNC(=O)NCCCF 2708a_100015525214_100015189416 [1,0,0,0,0,0|3,0,0]=4 460 B9R0.5 CCNC(=O)NCCCF 273464a_100015189416_100015525214 [1,0,0,0,0,0|3,0,0]=4 461 B9R0.5 CCNC(=O)NCCCF 273464a_100015525214_100015189416 [1,0,0,0,0,0|3,0,0]=4 462 B9R0.5 CCNC(=O)NCCCF 512a_100015189416_100015525214 [1,0,0,0,0,0|3,0,0]=4 463 B9R0.5 CCNC(=O)NCCCF 512a_100015525214_100015189416 [1,0,0,0,0,0|3,0,0]=4 464 B9R0.5 CCNC(=O)NCCCO 2708a_100015525214_100000182051 [1,0,0,0,0,0|3,0,0]=4 465 B9R0.5 CCNC(=O)NCCCO 273464a_100000182051_100015525214 [1,0,0,0,0,0|3,0,0]=4 466 B9R0.5 CCNC(=O)NCCCO 273464a_100015525214_100000182051 [1,0,0,0,0,0|3,0,0]=4 467 B9R0.5 CCNC(=O)NCCCO 512a_100015525214_100000182051 [1,0,0,0,0,0|3,0,0]=4 468 B9R0.5 CCNC(=O)NCCOC 2708a_100015525214_100000209980 [1,0,0,0,0,0|3,0,0]=4 469 B9R0.5 CCNC(=O)NCCOC 273464a_100000209980_100015525214 [1,0,0,0,0,0|3,0,0]=4 470 B9R0.5 CCNC(=O)NCCOC 273464a_100015525214_100000209980 [1,0,0,0,0,0|3,0,0]=4 471 B9R0.5 CCNC(=O)NCCSC 2708a_100015525214_100020590264 [1,0,0,0,0,0|3,0,0]=4 472 B9R0.5 CCNC(=O)NCCSC 2708a_100020590264_100015525214 [1,0,0,0,0,0|3,0,0]=4 473 B9R0.5 CCNC(=O)NCCSC 273464a_100015525214_100020590264 [1,0,0,0,0,0|3,0,0]=4 474 B9R0.5 CCNC(=O)NCCSC 273464a_100020590264_100015525214 [1,0,0,0,0,0|3,0,0]=4 475 B9R0.5 CCNC(=O)NCCSC 512a_100015525214_100020590264 [1,0,0,0,0,0|3,0,0]=4 476 B9R0.5 CCNC(=O)NCCSC 512a_100020590264_100015525214 [1,0,0,0,0,0|3,0,0]=4 477 B9R0.5 CCNC(C)CCOCC 270004a_100015525214_200011216536 [1,0,0,0,0,0|2,0,1]=4 478 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [1,0,0,0,0,0|2,0,0]=3 479 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [1,0,0,0,0,0|2,0,0]=3 480 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [1,0,0,0,0,0|1,0,0]=2 481 B9R0.5 CCNN=CC(=O)OCC 4a_100000756455_100000742314 [1,0,0,0,0,0|2,0,1]=4 482 B9R0.5 CCOC(=O)/C=C/CNC 2230a_106832991635_100016267167 [1,0,0,0,0,0|1,0,2]=4 483 B9R0.5 CCOC(=O)/C=C/CNC 34a_100102657272_100016267167 [1,0,0,0,0,0|1,0,2]=4 484 B9R0.5 CCOC(=O)/C=C/CNC 7a_106832991635_100016267167 [1,0,0,0,0,0|1,0,2]=4 485 B9R0.5 CCOC(=O)/C=C/COC 34a_100138415774_100016267167 [1,0,0,0,0,0|1,0,2]=4 486 B9R0.5 CCOC(=O)/C=C/CSC 62a_100016267167_200000210301 [1,0,0,0,0,0|1,0,2]=4 487 B9R0.5 CCOC(=O)/C=C/CSC 62a_200000210301_100016267167 [1,0,0,0,0,0|1,0,2]=4 488 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_100016267167_200025704644 [1,0,0,0,0,0|1,0,2]=4 489 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_200025704644_100016267167 [1,0,0,0,0,0|1,0,2]=4 490 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [1,0,0,0,0,0|1,0,0]=2 491 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [1,0,0,0,0,0|1,0,0]=2 492 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [1,0,0,0,0,0|1,0,0]=2 493 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [1,0,0,0,0,0|1,0,0]=2 494 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [1,0,0,0,0,0|1,0,0]=2 495 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [1,0,0,0,0,0|1,0,0]=2 496 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [1,0,0,0,0,0|1,0,0]=2 497 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [1,0,0,0,0,0|1,0,0]=2 498 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [1,0,0,0,0,0|1,0,0]=2 499 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [1,0,0,0,0,0|1,0,0]=2 500 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [1,0,0,0,0,0|1,0,0]=2 501 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [1,0,0,0,0,0|1,0,0]=2 502 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [1,0,0,0,0,0|2,0,0]=3 503 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [1,0,0,0,0,0|2,0,0]=3 504 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [1,0,0,0,0,0|2,0,0]=3 505 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [1,0,0,0,0,0|2,0,0]=3 506 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [1,0,0,0,0,0|2,0,0]=3 507 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [1,0,0,0,0,0|2,0,0]=3 508 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [1,0,0,0,0,0|2,0,0]=3 509 B9R0.5 CCOC(=O)CSCC#N 62a_100000188475_100011215382 [1,0,0,0,0,0|2,0,1]=4 510 B9R0.5 CCOC(=O)CSCC#N 62a_100011215382_100000188475 [1,0,0,0,0,0|2,0,1]=4 511 B9R0.5 CCOC(=O)CSCC=O 62a_100000188475_200015260668 [1,0,0,0,0,0|2,0,1]=4 512 B9R0.5 CCOC(=O)CSCC=O 62a_200015260668_100000188475 [1,0,0,0,0,0|2,0,1]=4 513 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [1,0,0,0,0,0|2,0,0]=3 514 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [1,0,0,0,0,0|2,0,0]=3 515 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [1,0,0,0,0,0|2,0,0]=3 516 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [1,0,0,0,0,0|2,0,0]=3 517 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [1,0,0,0,0,0|2,0,0]=3 518 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [1,0,0,0,0,0|2,0,0]=3 519 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [1,0,0,0,0,0|2,0,0]=3 520 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [1,0,0,0,0,0|2,0,0]=3 521 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [1,0,0,0,0,0|2,0,0]=3 522 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [1,0,0,0,0,0|2,0,0]=3 523 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [1,0,0,0,0,0|2,0,0]=3 524 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [1,0,0,0,0,0|2,0,0]=3 525 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [1,0,0,0,0,0|2,0,0]=3 526 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [1,0,0,0,0,0|2,0,0]=3 527 B9R0.5 CCOC(=O)OCSCF 62a_100015361967_100000075025 [1,0,0,0,0,0|3,0,0]=4 528 B9R0.5 CCOC(C)CCCOC 34a_200011539412_100000210202 [1,0,0,0,0,0|2,0,1]=4 529 B9R0.5 CCOC(C)CCCOC 7a_200011539412_100000210202 [1,0,0,0,0,0|2,0,1]=4 530 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [1,0,0,0,0,0|3,0,0]=4 531 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [1,0,0,0,0,0|3,0,0]=4 532 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [1,0,0,0,0,0|3,0,0]=4 533 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [1,0,0,0,0,0|3,0,0]=4 534 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [1,0,0,0,0,0|3,0,0]=4 535 B9R0.5 CCOCCC(=O)NNC 22a_100016993582_100000749530 [1,0,0,0,0,0|3,0,0]=4 536 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [1,0,0,0,0,0|1,0,0]=2 537 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [1,0,0,0,0,0|3,0,0]=4 538 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [1,0,0,0,0,0|3,0,0]=4 539 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [1,0,0,0,0,0|3,0,0]=4 540 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [1,0,0,0,0,0|3,0,0]=4 541 B9R0.5 CCSCCC(=O)CSC 1458a_100000184570_100000757381 [1,0,0,0,0,0|3,0,0]=4 542 B9R0.5 CCSCCC(=O)NNC 22a_100016993582_100000230768 [1,0,0,0,0,0|3,0,0]=4 543 B9R0.5 CNNC(=O)CCCOC 22a_100016993582_100000741012 [1,0,0,0,0,0|3,0,0]=4 544 B9R0.5 CNNC(=O)CCCSC 22a_100016993582_100000173376 [1,0,0,0,0,0|3,0,0]=4 545 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [1,0,0,0,0,0|3,0,0]=4 546 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [1,0,0,0,0,0|3,0,0]=4 547 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [1,0,0,0,0,0|3,0,0]=4 548 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [1,0,0,0,0,0|3,0,0]=4 549 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [1,0,0,0,0,0|3,0,0]=4 550 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [1,0,0,0,0,0|3,0,0]=4 551 B9R0.5 COCCCC(=O)CSC 1458a_100000184570_100000740836 [1,0,0,0,0,0|3,0,0]=4 552 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [1,0,0,0,0,0|3,0,0]=4 553 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [1,0,0,0,0,0|3,0,0]=4 554 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [1,0,0,0,0,0|3,0,0]=4 555 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [1,0,0,0,0,0|3,0,0]=4 556 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [1,0,0,0,0,0|3,0,0]=4 557 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [1,0,0,0,0,0|3,0,0]=4 558 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [1,0,0,0,0,0|3,0,0]=4 559 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [1,0,0,0,0,0|3,0,0]=4 560 B9R0.34 C#CC(=O)CC(C)CCC 1458a_100000211873_100011216630 [1,0,0,0,0,0|1,0,2]=4 561 B9R0.34 C#CCC(=O)CC(O)CC 1458a_100011220946_100011218378 [1,0,0,0,0,0|1,0,2]=4 562 B9R0.34 C#CCC(=O)CC(O)CC 1458a_100011667805_100000184674 [1,0,0,0,0,0|1,0,2]=4 563 B9R0.34 C=C(CCC)CC(=O)CC 1458a_100000138376_100000210202 [1,0,0,0,0,0|1,0,1]=3 564 B9R0.34 C=C(CCC)CC(=O)CF 1458a_100000138376_100015361967 [1,0,0,0,0,0|2,0,1]=4 565 B9R0.34 C=C(CCC)CC(=O)NC 11a_106832991635_100000138376 [1,0,0,0,0,0|2,0,1]=4 566 B9R0.34 C=C(CCC)CC(=O)NC 240690a_100102657272_100000138376 [1,0,0,0,0,0|2,0,1]=4 567 B9R0.34 C=C(CCC)CC(=O)NC 527a_100102657272_100000138376 [1,0,0,0,0,0|2,0,1]=4 568 B9R0.34 C=CC(=O)CC(C)CCC 1458a_100000185746_100011216630 [1,0,0,0,0,0|1,0,2]=4 569 B9R0.34 C=CCC(=O)CC(O)CC 1458a_100000210193_100011218378 [1,0,0,0,0,0|1,0,2]=4 570 B9R0.34 C=CCC(=O)CC(O)CC 1458a_100011667805_100000210623 [1,0,0,0,0,0|1,0,2]=4 571 B9R0.34 CC#CC(=O)CC(C)CC 1458a_100000763181_100000748023 [1,0,0,0,0,0|2,0,1]=4 572 B9R0.34 CC#CC(=O)CC(O)CC 1458a_100000763181_100011218378 [1,0,0,0,0,0|1,0,1]=3 573 B9R0.34 CC#CC(=O)C[C@@H](C)CC 1458a_100000763181_100009816398 [1,0,0,0,0,0|2,0,1]=4 574 B9R0.34 CC=CC(=O)CC(C)CC 1458a_100000210699_100000748023 [1,0,0,0,0,0|2,0,1]=4 575 B9R0.34 CC=CC(=O)CC(O)CC 1458a_100000210699_100011218378 [1,0,0,0,0,0|1,0,1]=3 576 B9R0.34 CC=CC(=O)C[C@@H](C)CC 1458a_100000210699_100009816398 [1,0,0,0,0,0|2,0,1]=4 577 B9R0.34 CCC(=O)CC(=O)CCO 1458a_100011216618_100000747405 [1,0,0,0,0,0|1,0,2]=4 578 B9R0.34 CCC(=O)CC(=O)COC 1458a_100000210968_100000747405 [1,0,0,0,0,0|1,0,2]=4 579 B9R0.34 CCC(=O)CC(=O)CSC 1458a_100000184570_100000747405 [1,0,0,0,0,0|1,0,2]=4 580 B9R0.34 CCC(=O)CN(C)CCO 269982a_100000210263_100000747405 [1,0,0,0,0,0|3,0,0]=4 581 B9R0.34 CCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210414 [1,0,0,0,0,0|3,0,0]=4 582 B9R0.34 CCC(=O)N[C@H](C)CCO 527a_100000706166_100000210414 [1,0,0,0,0,0|3,0,0]=4 583 B9R0.34 CCC(=O)N[C@H](C)COC 11a_100000764878_100000210414 [1,0,0,0,0,0|3,0,0]=4 584 B9R0.34 CCC(=O)N[C@H](C)COC 1626a_100000764878_100000210414 [1,0,0,0,0,0|3,0,0]=4 585 B9R0.34 CCC(=O)N[C@H](C)COC 240690a_100000764878_100000210414 [1,0,0,0,0,0|3,0,0]=4 586 B9R0.34 CCC(=O)N[C@H](C)COC 527a_100000764878_100000210414 [1,0,0,0,0,0|3,0,0]=4 587 B9R0.34 CCC(C)CC(=O)CCF 1458a_100000708755_100011217306 [1,0,0,0,0,0|3,0,0]=4 588 B9R0.34 CCC(C)CC(=O)CCO 1458a_100000708755_100000211926 [1,0,0,0,0,0|3,0,0]=4 589 B9R0.34 CCC(C)CC(=O)CCO 1458a_100011216618_100000748023 [1,0,0,0,0,0|3,0,0]=4 590 B9R0.34 CCC(C)CC(=O)COC 1458a_100000210968_100000748023 [1,0,0,0,0,0|3,0,0]=4 591 B9R0.34 CCC(C)CC(=O)CSC 1458a_100000184570_100000748023 [1,0,0,0,0,0|3,0,0]=4 592 B9R0.34 CCC(C)CC(=O)NNC 22a_100016993582_100000708755 [1,0,0,0,0,0|3,0,0]=4 593 B9R0.34 CCC(O)CC(=O)C=CBr 1458a_100016273825_100011218378 [1,0,0,0,0,0|2,0,1]=4 594 B9R0.34 CCC(O)CC(=O)C=CCl 1458a_200016279998_100011218378 [1,0,0,0,0,0|2,0,1]=4 595 B9R0.34 CCC(O)CC(=O)C=CI 1458a_100016256311_100011218378 [1,0,0,0,0,0|2,0,1]=4 596 B9R0.34 CCC(O)CC(=O)CC#N 1458a_100011667805_100011214920 [1,0,0,0,0,0|2,0,1]=4 597 B9R0.34 CCC(O)CC(=O)CC#N 1458a_100051588842_100011218378 [1,0,0,0,0,0|2,0,1]=4 598 B9R0.34 CCC(O)CC(=O)CCF 1458a_100011667805_100011217306 [1,0,0,0,0,0|2,0,0]=3 599 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011216618_100011218378 [1,0,0,0,0,0|2,0,0]=3 600 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011667805_100000211926 [1,0,0,0,0,0|2,0,0]=3 601 B9R0.34 CCC(O)CC(=O)COC 1458a_100000210968_100011218378 [1,0,0,0,0,0|2,0,0]=3 602 B9R0.34 CCC(O)CC(=O)CSC 1458a_100000184570_100011218378 [1,0,0,0,0,0|2,0,0]=3 603 B9R0.34 CCC(O)CC(=O)NNC 22a_100016993582_100011667805 [1,0,0,0,0,0|2,0,0]=3 604 B9R0.34 CCCC(=CC(=O)CC)C 1458a_100020676950_100000210202 [1,0,0,0,0,0|1,0,2]=4 605 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [1,0,0,0,0,0|0,0,2]=3 606 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [1,0,0,0,0,0|0,0,2]=3 607 B9R0.34 CCCC(=O)CC(=O)CO 1458a_100000210174_100000747444 [1,0,0,0,0,0|1,0,2]=4 608 B9R0.34 CCCC(=O)CC(=O)NC 1458a_100000211992_100000183359 [1,0,0,0,0,0|1,0,2]=4 609 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211351_100000210303 [1,0,0,0,0,0|0,0,2]=3 610 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211992_100000747449 [1,0,0,0,0,0|0,0,2]=3 611 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [1,0,0,0,0,0|2,0,0]=3 612 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [1,0,0,0,0,0|2,0,0]=3 613 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [1,0,0,0,0,0|1,0,0]=2 614 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [1,0,0,0,0,0|1,0,0]=2 615 B9R0.34 CCCC(=O)CN(C)CC 1458a_100116209913_100000210303 [1,0,0,0,0,0|3,0,0]=4 616 B9R0.34 CCCC(=O)CN(C)CC 2230a_100000225621_100000747444 [1,0,0,0,0,0|3,0,0]=4 617 B9R0.34 CCCC(=O)CN(C)CC 269982a_100000225621_100000747444 [1,0,0,0,0,0|3,0,0]=4 618 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [1,0,0,0,0,0|2,0,0]=3 619 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [1,0,0,0,0,0|3,0,0]=4 620 B9R0.34 CCCC(=O)NC(C)CC 11a_100000209981_100000211992 [1,0,0,0,0,0|3,0,0]=4 621 B9R0.34 CCCC(=O)NC(C)CC 1626a_100000209981_100000211992 [1,0,0,0,0,0|3,0,0]=4 622 B9R0.34 CCCC(=O)NC(C)CC 240690a_100000209981_100000211992 [1,0,0,0,0,0|3,0,0]=4 623 B9R0.34 CCCC(=O)NC(C)CC 527a_100000209981_100000211992 [1,0,0,0,0,0|3,0,0]=4 624 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000210414_100011216630 [1,0,0,0,0,0|1,0,0]=2 625 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000748435_100000210202 [1,0,0,0,0,0|1,0,0]=2 626 B9R0.34 CCCC(C)CC(=O)CF 1458a_100000748435_100015361967 [1,0,0,0,0,0|2,0,0]=3 627 B9R0.34 CCCC(C)CC(=O)CO 1458a_100000210174_100011216630 [1,0,0,0,0,0|2,0,0]=3 628 B9R0.34 CCCC(C)CC(=O)NC 11a_106832991635_100000748435 [1,0,0,0,0,0|2,0,0]=3 629 B9R0.34 CCCC(C)CC(=O)NC 1626a_100102657272_100000748435 [1,0,0,0,0,0|2,0,0]=3 630 B9R0.34 CCCC(C)CC(=O)NC 240690a_100102657272_100000748435 [1,0,0,0,0,0|2,0,0]=3 631 B9R0.34 CCCC(C)CC(=O)NC 527a_100102657272_100000748435 [1,0,0,0,0,0|2,0,0]=3 632 B9R0.34 CCCC(C)CN(C)CC 2230a_100000225621_100011216630 [1,0,0,0,0,0|3,0,0]=4 633 B9R0.34 CCCC(C)CN(C)CC 269982a_100000225621_100011216630 [1,0,0,0,0,0|3,0,0]=4 634 B9R0.34 CCCC(C)NC(=O)CC 11a_100000741246_100000210414 [1,0,0,0,0,0|2,0,0]=3 635 B9R0.34 CCCC(C)NC(=O)CC 1626a_100000741246_100000210414 [1,0,0,0,0,0|2,0,0]=3 636 B9R0.34 CCCC(C)NC(=O)CC 240690a_100000741246_100000210414 [1,0,0,0,0,0|2,0,0]=3 637 B9R0.34 CCCC(C)NC(=O)CC 527a_100000741246_100000210414 [1,0,0,0,0,0|2,0,0]=3 638 B9R0.34 CCCC(C)NC(=O)CO 240690a_100000741246_100000210174 [1,0,0,0,0,0|3,0,0]=4 639 B9R0.34 CCCC(C)NC(=O)CO 527a_100000741246_100000210174 [1,0,0,0,0,0|3,0,0]=4 640 B9R0.34 CCCC(C)NC(=O)NC 2708a_100000741246_106832991635 [1,0,0,0,0,0|3,0,0]=4 641 B9R0.34 CCCC(C)NC(=O)NC 2708a_100102657272_100000741246 [1,0,0,0,0,0|3,0,0]=4 642 B9R0.34 CCCC(C)NC(=O)NC 273464a_100000741246_100102657272 [1,0,0,0,0,0|3,0,0]=4 643 B9R0.34 CCCC(C)NC(=O)NC 512a_100000741246_100102657272 [1,0,0,0,0,0|3,0,0]=4 644 B9R0.34 CCCC(C)NC(=O)NC 512a_106832991638_100000741246 [1,0,0,0,0,0|3,0,0]=4 645 B9R0.34 CCCN(C)CC(=O)CC 269982a_100000747261_100000747405 [1,0,0,0,0,0|2,0,0]=3 646 B9R0.34 CCCN(C)CC(=O)NC 2230a_100000189611_100000210303 [1,0,0,0,0,0|3,0,0]=4 647 B9R0.34 CCCN(C)CC(=O)NC 2230a_100000747261_100000183359 [1,0,0,0,0,0|3,0,0]=4 648 B9R0.34 CCCN(C)CC(=O)NC 269982a_100000747261_100000183359 [1,0,0,0,0,0|3,0,0]=4 649 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000198492_100000210303 [1,0,0,0,0,0|2,0,0]=3 650 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000747261_100000747449 [1,0,0,0,0,0|2,0,0]=3 651 B9R0.34 CCCN(C)CC(=O)OC 269982a_100000747261_100000747449 [1,0,0,0,0,0|2,0,0]=3 652 B9R0.34 CCCN(C)CC(O)CC 2230a_100000747261_100011218378 [1,0,0,0,0,0|3,0,0]=4 653 B9R0.34 CCCN(C)CC(O)CC 269982a_100000747261_100011218378 [1,0,0,0,0,0|3,0,0]=4 654 B9R0.34 CCCS(=O)CC(=O)CC 1458a_100011387404_100000210202 [1,0,0,0,0,0|1,0,1]=3 655 B9R0.34 CCCS(=O)CC(=O)CF 1458a_100011387404_100015361967 [1,0,0,0,0,0|2,0,1]=4 656 B9R0.34 CCCS(=O)CC(=O)NC 11a_106832991635_100011387404 [1,0,0,0,0,0|2,0,1]=4 657 B9R0.34 CCCS(=O)CC(=O)NC 1626a_100102657272_100011387404 [1,0,0,0,0,0|2,0,1]=4 658 B9R0.34 CCCS(=O)CC(=O)NC 240690a_100102657272_100011387404 [1,0,0,0,0,0|2,0,1]=4 659 B9R0.34 CCCS(=O)CC(=O)NC 527a_100102657272_100011387404 [1,0,0,0,0,0|2,0,1]=4 660 B9R0.34 CCN(C)CC(O)COC 2230a_100000739405_100000210202 [1,0,0,0,0,0|3,0,0]=4 661 B9R0.34 CCN(C)CC(O)COC 269982a_100000739405_100000204670 [1,0,0,0,0,0|3,0,0]=4 662 B9R0.34 CCNC(=O)CC(=O)CC 1458a_100000210414_100000183381 [1,0,0,0,0,0|1,0,2]=4 663 B9R0.34 CCNC(=O)CC(=O)OC 240690a_100015525214_100000211351 [1,0,0,0,0,0|1,0,2]=4 664 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [1,0,0,0,0,0|2,0,0]=3 665 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [1,0,0,0,0,0|2,0,0]=3 666 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [1,0,0,0,0,0|2,0,0]=3 667 B9R0.34 CCNC(=O)CC(O)CC 240690a_100015525214_100011667805 [1,0,0,0,0,0|1,0,0]=2 668 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000225621_100000183381 [1,0,0,0,0,0|3,0,0]=4 669 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000741943_100000210202 [1,0,0,0,0,0|3,0,0]=4 670 B9R0.34 CCNC(=O)CN(C)CC 240690a_100015525214_100116209913 [1,0,0,0,0,0|3,0,0]=4 671 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000225621_100000183381 [1,0,0,0,0,0|3,0,0]=4 672 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000741943_100000204670 [1,0,0,0,0,0|3,0,0]=4 673 B9R0.34 CCNC(=O)CN(C)CC 527a_100015525214_100116209913 [1,0,0,0,0,0|3,0,0]=4 674 B9R0.34 CCNC(=O)NC(C)CC 2708a_100000209981_100015525214 [1,0,0,0,0,0|3,0,0]=4 675 B9R0.34 CCNC(=O)NC(C)CC 2708a_100015525214_100000209981 [1,0,0,0,0,0|3,0,0]=4 676 B9R0.34 CCNC(=O)NC(C)CC 273464a_100000209981_100015525214 [1,0,0,0,0,0|3,0,0]=4 677 B9R0.34 CCNC(=O)NC(C)CC 273464a_100015525214_100000209981 [1,0,0,0,0,0|3,0,0]=4 678 B9R0.34 CCNC(=O)NC(C)CC 512a_100000209981_100015525214 [1,0,0,0,0,0|3,0,0]=4 679 B9R0.34 CCNC(=O)NC(C)CC 512a_100015525214_100000209981 [1,0,0,0,0,0|3,0,0]=4 680 B9R0.34 CCNC(C)CC(=O)OC 2230a_100015525214_100009817358 [1,0,0,0,0,0|2,0,0]=3 681 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [1,0,0,0,0,0|0,0,2]=3 682 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [1,0,0,0,0,0|0,0,2]=3 683 B9R0.34 CCOC(=O)CC(=O)CF 1458a_100000243816_100015361967 [1,0,0,0,0,0|1,0,2]=4 684 B9R0.34 CCOC(=O)CC(=O)CO 1458a_100000210174_100000188475 [1,0,0,0,0,0|1,0,2]=4 685 B9R0.34 CCOC(=O)CC(=O)NC 240690a_100102657272_100000243816 [1,0,0,0,0,0|1,0,2]=4 686 B9R0.34 CCOC(=O)CC(C)NC 2230a_106832991635_100009817359 [1,0,0,0,0,0|2,0,0]=3 687 B9R0.34 CCOC(=O)CC(C)NC 7a_106832991635_100009817359 [1,0,0,0,0,0|2,0,0]=3 688 B9R0.34 CCOC(=O)CC(C)SC 62a_100009817359_200000210301 [1,0,0,0,0,0|2,0,0]=3 689 B9R0.34 CCOC(=O)CC(C)SC 62a_200000210301_100009817359 [1,0,0,0,0,0|2,0,0]=3 690 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_100009817359_200025704644 [1,0,0,0,0,0|2,0,0]=3 691 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_200025704644_100009817359 [1,0,0,0,0,0|2,0,0]=3 692 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220588_100000210202 [1,0,0,0,0,0|2,0,0]=3 693 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220607_200000210301 [1,0,0,0,0,0|2,0,0]=3 694 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000225621_100000188475 [1,0,0,0,0,0|2,0,0]=3 695 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000220607_200000210301 [1,0,0,0,0,0|2,0,0]=3 696 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000225621_100000188475 [1,0,0,0,0,0|2,0,0]=3 697 B9R0.34 CCOC(=O)CN([13CH3])CC 2230a_100000220607_200025704644 [1,0,0,0,0,0|2,0,0]=3 698 B9R0.34 CCOC(=O)CN([13CH3])CC 269982a_100000220607_200025704644 [1,0,0,0,0,0|2,0,0]=3 699 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [1,0,0,0,0,0|2,0,0]=3 700 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [1,0,0,0,0,0|2,0,0]=3 701 B9R0.34 CCOC(=O)OC(C)SC 62a_100000036008_200000210301 [1,0,0,0,0,0|3,0,0]=4 702 B9R0.34 CCOC(=O)OC(C)SC 62a_200000210301_100000036008 [1,0,0,0,0,0|3,0,0]=4 703 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_100000036008_200025704644 [1,0,0,0,0,0|3,0,0]=4 704 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_200025704644_100000036008 [1,0,0,0,0,0|3,0,0]=4 705 B9R0.34 CCOC(C)CC(=O)OC 34a_100121572206_100009817358 [1,0,0,0,0,0|2,0,0]=3 706 B9R0.34 CCSC(C)CC(=O)CC 1458a_200011311441_100000210202 [1,0,0,0,0,0|2,0,0]=3 707 B9R0.34 CCSC(C)CC(=O)CF 1458a_200011311441_100015361967 [1,0,0,0,0,0|3,0,0]=4 708 B9R0.34 CCSC(C)CC(=O)NC 11a_106832991635_200011311441 [1,0,0,0,0,0|3,0,0]=4 709 B9R0.34 CCSC(C)CC(=O)NC 1626a_100102657272_200011311441 [1,0,0,0,0,0|3,0,0]=4 710 B9R0.34 CCSC(C)CC(=O)NC 240690a_100102657272_200011311441 [1,0,0,0,0,0|3,0,0]=4 711 B9R0.34 CCSC(C)CC(=O)NC 527a_100102657272_200011311441 [1,0,0,0,0,0|3,0,0]=4 712 B9R0.34 CCSC(C)CC(=O)OC 62a_100000210202_100009817358 [1,0,0,0,0,0|2,0,0]=3 713 B9R0.34 CCSC(C)CC(=O)OC 62a_100009817358_100000210202 [1,0,0,0,0,0|2,0,0]=3 714 B9R0.34 CC[C@H](C)CC(=O)CCO 1458a_100011216618_100009816398 [1,0,0,0,0,0|3,0,0]=4 715 B9R0.34 CC[C@H](C)CC(=O)COC 1458a_100000210968_100009816398 [1,0,0,0,0,0|3,0,0]=4 716 B9R0.34 CC[C@H](C)CC(=O)CSC 1458a_100000184570_100009816398 [1,0,0,0,0,0|3,0,0]=4 717 B9R0.34 CNC[C@H](O)CC(=O)OC 34a_100102657272_100000754131 [1,0,0,0,0,0|1,0,0]=2 718 B9R0.34 CNC[C@H](O)CC(=O)OC 7a_106832991635_100000754131 [1,0,0,0,0,0|1,0,0]=2 719 B9R0.34 COC(=O)CC(=O)CCF 1458a_100000211351_100011217306 [1,0,0,0,0,0|1,0,2]=4 720 B9R0.34 COC(=O)CC(=O)CCO 1458a_100000211351_100000211926 [1,0,0,0,0,0|1,0,2]=4 721 B9R0.34 COC(=O)CC(=O)CCO 1458a_100011216618_100000747449 [1,0,0,0,0,0|1,0,2]=4 722 B9R0.34 COC(=O)CC(=O)CSC 1458a_100000184570_100000747449 [1,0,0,0,0,0|1,0,2]=4 723 B9R0.34 COC(=O)CC(=O)CSC 62a_100000210525_200000210301 [1,0,0,0,0,0|1,0,2]=4 724 B9R0.34 COC(=O)CC(=O)CSC 62a_200000210301_100000210525 [1,0,0,0,0,0|1,0,2]=4 725 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_100000210525_200025704644 [1,0,0,0,0,0|1,0,2]=4 726 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210525 [1,0,0,0,0,0|1,0,2]=4 727 B9R0.34 COC(=O)CC(C)SCF 62a_100009817358_100015361967 [1,0,0,0,0,0|3,0,0]=4 728 B9R0.34 COC(=O)CC(C)SCF 62a_100015361967_100009817358 [1,0,0,0,0,0|3,0,0]=4 729 B9R0.34 COC(=O)CN(C)CCF 2230a_100000198492_100011217306 [1,0,0,0,0,0|3,0,0]=4 730 B9R0.34 COC(=O)CN(C)CCO 2230a_100000198492_100000211926 [1,0,0,0,0,0|3,0,0]=4 731 B9R0.34 COC(=O)CN(C)CCO 2230a_100000210263_100000747449 [1,0,0,0,0,0|3,0,0]=4 732 B9R0.34 COC(=O)CN(C)CCO 269982a_100000210263_100000747449 [1,0,0,0,0,0|3,0,0]=4 733 B9R0.34 COC(=O)CN(C)CSC 2230a_100000198492_100011218213 [1,0,0,0,0,0|3,0,0]=4 734 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_100000754131_200000210301 [1,0,0,0,0,0|1,0,0]=2 735 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_200000210301_100000754131 [1,0,0,0,0,0|1,0,0]=2 736 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_100000754131_200025704644 [1,0,0,0,0,0|1,0,0]=2 737 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_200025704644_100000754131 [1,0,0,0,0,0|1,0,0]=2 738 B9R0.34 COCC(=O)CC(=O)OC 1458a_100000210968_100000747449 [1,0,0,0,0,0|1,0,2]=4 739 B9R0.34 COCN(C)CC(=O)OC 2230a_100000198492_100000766300 [1,0,0,0,0,0|3,0,0]=4 740 B9R0.34 COC[C@H](O)CC(=O)OC 34a_100138415774_100000754131 [1,0,0,0,0,0|1,0,0]=2 741 B11R0.1 C=C(C)CC(=O)CC(=O)OCC 1458a_100000243816_100000748629 [0,1,0,0,0,0|0,0,3]=4 742 B11R0.1 C=C(C)CC(=O)CC(C)CCC 1458a_100000748435_100000748629 [0,1,0,0,0,0|2,0,1]=4 743 B11R0.1 C=C(C)CN(C)CC(=O)OCC 2230a_100000220588_100000748629 [0,1,0,0,0,0|2,0,1]=4 744 B11R0.1 C=C(C)CN(C)CC(=O)OCC 2230a_100000225649_100000188475 [0,1,0,0,0,0|2,0,1]=4 745 B11R0.1 C=C(C)CN(C)CC(=O)OCC 269982a_100000225649_100000188475 [0,1,0,0,0,0|2,0,1]=4 746 B11R0.1 C=C(CCC)CC(=O)CC(C)C 1458a_100000138376_100000210624 [0,1,0,0,0,0|2,0,1]=4 747 B11R0.1 C=C(CCC)CC(=O)CC(C)O 1458a_100000138376_100011218427 [0,1,0,0,0,0|2,0,1]=4 748 B11R0.1 C=C(CCC)CC(=O)NC(C)C 11a_100138425928_100000138376 [0,1,0,0,0,0|2,0,1]=4 749 B11R0.1 C=C(CCC)CC(=O)NC(C)C 240690a_100138425928_100000138376 [0,1,0,0,0,0|2,0,1]=4 750 B11R0.1 C=C(CCC)CC(=O)NC(C)C 527a_100138425928_100000138376 [0,1,0,0,0,0|2,0,1]=4 751 B11R0.1 CC(C)OC(=O)CC(=O)CCO 1458a_100011216618_100011215430 [0,1,0,0,0,0|1,0,2]=4 752 B11R0.1 CC(C)OC(=O)CN(C)CCO 2230a_100000210263_100011215430 [0,1,0,0,0,0|3,0,0]=4 753 B11R0.1 CC(C)OC(=O)CN(C)CCO 269982a_100000210263_100011215430 [0,1,0,0,0,0|3,0,0]=4 754 B11R0.1 CCCC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747444 [0,1,0,0,0,0|1,0,2]=4 755 B11R0.1 CCCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747444 [0,1,0,0,0,0|1,0,2]=4 756 B11R0.1 CCCC(=O)CC(=O)NC(C)C 1458a_100000211992_100000183996 [0,1,0,0,0,0|1,0,2]=4 757 B11R0.1 CCCC(=O)CC(=O)OC(C)C 1458a_100000211992_100011215430 [0,1,0,0,0,0|0,0,2]=3 758 B11R0.1 CCCC(=O)CN(C)CC(C)C 2230a_100000747067_100000747444 [0,1,0,0,0,0|3,0,0]=4 759 B11R0.1 CCCC(=O)CN(C)CC(C)C 269982a_100000747067_100000747444 [0,1,0,0,0,0|3,0,0]=4 760 B11R0.1 CCCC(=O)CN(C)CC(C)O 2230a_100000227577_100000747444 [0,1,0,0,0,0|3,0,0]=4 761 B11R0.1 CCCC(=O)CN(C)CC(C)O 269982a_100000227577_100000747444 [0,1,0,0,0,0|3,0,0]=4 762 B11R0.1 CCCC(=O)NC(C)CC(C)C 11a_100000692259_100000211992 [0,1,0,0,0,0|3,0,0]=4 763 B11R0.1 CCCC(=O)NC(C)CC(C)C 1626a_100000692259_100000211992 [0,1,0,0,0,0|3,0,0]=4 764 B11R0.1 CCCC(=O)NC(C)CC(C)C 240690a_100000692259_100000211992 [0,1,0,0,0,0|3,0,0]=4 765 B11R0.1 CCCC(=O)NC(C)CC(C)C 527a_100000692259_100000211992 [0,1,0,0,0,0|3,0,0]=4 766 B11R0.1 CCCC(C)CC(=O)C=C(C)C 1458a_100000211388_100011216630 [0,1,0,0,0,0|2,0,1]=4 767 B11R0.1 CCCC(C)CC(=O)C=C(C)Cl 1458a_200042562850_100011216630 [0,1,0,0,0,0|2,0,1]=4 768 B11R0.1 CCCC(C)CC(=O)C=C(C)I 1458a_100025716642_100011216630 [0,1,0,0,0,0|2,0,1]=4 769 B11R0.1 CCCC(C)CC(=O)CC(C)C 1458a_100000210554_100011216630 [0,1,0,0,0,0|2,0,0]=3 770 B11R0.1 CCCC(C)CC(=O)CC(C)C 1458a_100000748435_100000210624 [0,1,0,0,0,0|2,0,0]=3 771 B11R0.1 CCCC(C)CC(=O)CC(C)O 1458a_100000748435_100011218427 [0,1,0,0,0,0|2,0,0]=3 772 B11R0.1 CCCC(C)CC(=O)CC(F)F 1458a_100000748435_100011934356 [0,1,0,0,0,0|3,0,0]=4 773 B11R0.1 CCCC(C)CC(=O)CN(C)C 1458a_100000750896_100011216630 [0,1,0,0,0,0|3,0,0]=4 774 B11R0.1 CCCC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100011216630 [0,1,0,0,0,0|2,0,0]=3 775 B11R0.1 CCCC(C)CC(=O)C[S+](C)C 1458a_200159257847_100011216630 [0,1,0,0,0,0|3,0,0]=4 776 B11R0.1 CCCC(C)CC(=O)NC(C)C 11a_100138425928_100000748435 [0,1,0,0,0,0|2,0,0]=3 777 B11R0.1 CCCC(C)CC(=O)NC(C)C 1626a_100138425928_100000748435 [0,1,0,0,0,0|2,0,0]=3 778 B11R0.1 CCCC(C)CC(=O)NC(C)C 240690a_100138425928_100000748435 [0,1,0,0,0,0|2,0,0]=3 779 B11R0.1 CCCC(C)CC(=O)NC(C)C 527a_100138425928_100000748435 [0,1,0,0,0,0|2,0,0]=3 780 B11R0.1 CCCC(C)NC(=O)CC(C)C 11a_100000741246_100000210554 [0,1,0,0,0,0|3,0,0]=4 781 B11R0.1 CCCC(C)NC(=O)CC(C)C 1626a_100000741246_100000210554 [0,1,0,0,0,0|3,0,0]=4 782 B11R0.1 CCCC(C)NC(=O)CC(C)C 240690a_100000741246_100000210554 [0,1,0,0,0,0|3,0,0]=4 783 B11R0.1 CCCC(C)NC(=O)CC(C)C 527a_100000741246_100000210554 [0,1,0,0,0,0|3,0,0]=4 784 B11R0.1 CCCC(C)NC(=O)C[C@@H](C)O 240690a_100000741246_100011933948 [0,1,0,0,0,0|3,0,0]=4 785 B11R0.1 CCCC(C)NC(=O)NC(C)C 2708a_100000741246_100138425928 [0,1,0,0,0,0|3,0,0]=4 786 B11R0.1 CCCC(C)NC(=O)NC(C)C 2708a_100138425928_100000741246 [0,1,0,0,0,0|3,0,0]=4 787 B11R0.1 CCCC(C)NC(=O)NC(C)C 512a_100000741246_100138425928 [0,1,0,0,0,0|3,0,0]=4 788 B11R0.1 CCCC(C)NC(=O)NC(C)C 512a_100138425928_100000741246 [0,1,0,0,0,0|3,0,0]=4 789 B11R0.1 CCCN(C)CC(=O)NC(C)C 2230a_100000168146_100000210303 [0,1,0,0,0,0|3,0,0]=4 790 B11R0.1 CCCN(C)CC(=O)NC(C)C 2230a_100000747261_100000183996 [0,1,0,0,0,0|3,0,0]=4 791 B11R0.1 CCCN(C)CC(=O)NC(C)C 269982a_100000168146_100000210303 [0,1,0,0,0,0|3,0,0]=4 792 B11R0.1 CCCN(C)CC(=O)NC(C)C 269982a_100000747261_100000183996 [0,1,0,0,0,0|3,0,0]=4 793 B11R0.1 CCCN(C)CC(=O)OC(C)C 2230a_100000747261_100011215430 [0,1,0,0,0,0|2,0,0]=3 794 B11R0.1 CCCN(C)CC(=O)OC(C)C 269982a_100000747261_100011215430 [0,1,0,0,0,0|2,0,0]=3 795 B11R0.1 CCCS(=O)CC(=O)CC(C)C 1458a_100011387404_100000210624 [0,1,0,0,0,0|2,0,1]=4 796 B11R0.1 CCCS(=O)CC(=O)CC(C)O 1458a_100011387404_100011218427 [0,1,0,0,0,0|2,0,1]=4 797 B11R0.1 CCCS(=O)CC(=O)NC(C)C 11a_100138425928_100011387404 [0,1,0,0,0,0|2,0,1]=4 798 B11R0.1 CCCS(=O)CC(=O)NC(C)C 1626a_100138425928_100011387404 [0,1,0,0,0,0|2,0,1]=4 799 B11R0.1 CCCS(=O)CC(=O)NC(C)C 240690a_100138425928_100011387404 [0,1,0,0,0,0|2,0,1]=4 800 B11R0.1 CCCS(=O)CC(=O)NC(C)C 527a_100138425928_100011387404 [0,1,0,0,0,0|2,0,1]=4 801 B11R0.1 CCNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183381 [0,1,0,0,0,0|1,0,2]=4 802 B11R0.1 CCNC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000183381 [0,1,0,0,0,0|1,0,2]=4 803 B11R0.1 CCNC(=O)CN(C)CC(C)C 2230a_100000741943_100000210760 [0,1,0,0,0,0|3,0,0]=4 804 B11R0.1 CCNC(=O)CN(C)CC(C)C 2230a_100000747067_100000183381 [0,1,0,0,0,0|3,0,0]=4 805 B11R0.1 CCNC(=O)CN(C)CC(C)C 269982a_100000741943_100000210624 [0,1,0,0,0,0|3,0,0]=4 806 B11R0.1 CCNC(=O)CN(C)CC(C)C 269982a_100000747067_100000183381 [0,1,0,0,0,0|3,0,0]=4 807 B11R0.1 CCNC(=O)CN(C)CC(C)C 270004a_100000741943_100000210432 [0,1,0,0,0,0|3,0,0]=4 808 B11R0.1 CCNC(=O)CN(C)CC(C)O 2230a_100000227577_100000183381 [0,1,0,0,0,0|3,0,0]=4 809 B11R0.1 CCNC(=O)CN(C)CC(C)O 2230a_100000741943_100011218427 [0,1,0,0,0,0|3,0,0]=4 810 B11R0.1 CCNC(=O)CN(C)CC(C)O 269982a_100000227577_100000183381 [0,1,0,0,0,0|3,0,0]=4 811 B11R0.1 CCNC(=O)CN(C)CC(C)O 269982a_100000741943_100011218427 [0,1,0,0,0,0|3,0,0]=4 812 B11R0.1 CCNC(=O)CN(C)C[C@@H](C)O 2230a_100000741943_100009817552 [0,1,0,0,0,0|3,0,0]=4 813 B11R0.1 CCNC(=O)CN(C)C[C@@H](C)O 269982a_100000741943_100009817552 [0,1,0,0,0,0|3,0,0]=4 814 B11R0.1 CCNC(=O)NC(C)CC(C)C 2708a_100000692259_100015525214 [0,1,0,0,0,0|3,0,0]=4 815 B11R0.1 CCNC(=O)NC(C)CC(C)C 2708a_100015525214_100000692259 [0,1,0,0,0,0|3,0,0]=4 816 B11R0.1 CCNC(=O)NC(C)CC(C)C 273464a_100000692259_100015525214 [0,1,0,0,0,0|3,0,0]=4 817 B11R0.1 CCNC(=O)NC(C)CC(C)C 512a_100000692259_100015525214 [0,1,0,0,0,0|3,0,0]=4 818 B11R0.1 CCNC(=O)NC(C)CC(C)C 512a_100015525214_100000692259 [0,1,0,0,0,0|3,0,0]=4 819 B11R0.1 CCOC(=O)CC(=O)CC(C)C 1458a_100000210554_100000188475 [0,1,0,0,0,0|0,0,2]=3 820 B11R0.1 CCOC(=O)CC(=O)CC(C)C 1458a_100000243816_100000210624 [0,1,0,0,0,0|0,0,2]=3 821 B11R0.1 CCOC(=O)CC(=O)CC(C)O 1458a_100000243816_100011218427 [0,1,0,0,0,0|0,0,2]=3 822 B11R0.1 CCOC(=O)CC(=O)CC(F)F 1458a_100000243816_100011934356 [0,1,0,0,0,0|1,0,2]=4 823 B11R0.1 CCOC(=O)CC(=O)CN(C)C 1458a_100000750896_100000188475 [0,1,0,0,0,0|1,0,2]=4 824 B11R0.1 CCOC(=O)CC(=O)CN(C)C 269982a_100102631434_100000210311 [0,1,0,0,0,0|1,0,2]=4 825 B11R0.1 CCOC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000188475 [0,1,0,0,0,0|0,0,2]=3 826 B11R0.1 CCOC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000188475 [0,1,0,0,0,0|1,0,2]=4 827 B11R0.1 CCOC(=O)CC(=O)NC(C)C 240690a_100138425928_100000243816 [0,1,0,0,0,0|1,0,2]=4 828 B11R0.1 CCOC(=O)CC(C)NC(=O)C 188690a_100000686176_100015343762 [0,1,0,0,0,0|2,0,1]=4 829 B11R0.1 CCOC(=O)CC(C)NC(C)C 2230a_100138425928_100009817359 [0,1,0,0,0,0|2,0,0]=3 830 B11R0.1 CCOC(=O)CC(C)SC(C)C 62a_100000210206_100009817359 [0,1,0,0,0,0|2,0,0]=3 831 B11R0.1 CCOC(=O)CC(C)SC(C)C 62a_100009817359_100000210206 [0,1,0,0,0,0|2,0,0]=3 832 B11R0.1 CCOC(=O)CN(C)CC(C)C 2230a_100000220588_100000210760 [0,1,0,0,0,0|2,0,0]=3 833 B11R0.1 CCOC(=O)CN(C)CC(C)C 2230a_100000747067_100000188475 [0,1,0,0,0,0|2,0,0]=3 834 B11R0.1 CCOC(=O)CN(C)CC(C)C 269982a_100000747067_100000188475 [0,1,0,0,0,0|2,0,0]=3 835 B11R0.1 CCOC(=O)CN(C)CC(C)C 270004a_100000220588_100000210432 [0,1,0,0,0,0|2,0,0]=3 836 B11R0.1 CCOC(=O)CN(C)CC(C)O 2230a_100000220588_100011218427 [0,1,0,0,0,0|2,0,0]=3 837 B11R0.1 CCOC(=O)CN(C)CC(C)O 2230a_100000227577_100000188475 [0,1,0,0,0,0|2,0,0]=3 838 B11R0.1 CCOC(=O)CN(C)CC(C)O 269982a_100000227577_100000188475 [0,1,0,0,0,0|2,0,0]=3 839 B11R0.1 CCOC(=O)CN(C)CC(F)F 2230a_100000220588_100011934356 [0,1,0,0,0,0|3,0,0]=4 840 B11R0.1 CCOC(=O)CN(C)C[C@@H](C)O 2230a_100000220588_100009817552 [0,1,0,0,0,0|2,0,0]=3 841 B11R0.1 CCOC(=O)C[C@@H](C)OC(C)C 7a_100009816390_100000210206 [0,1,0,0,0,0|2,0,0]=3 842 B11R0.1 CCOC(=O)C[C@H](O)CN(C)C 269982a_100102631434_100000688340 [0,1,0,0,0,0|1,0,0]=2 843 B11R0.1 CCOC(=O)OC(C)SC(C)C 62a_100000036008_100000210206 [0,1,0,0,0,0|3,0,0]=4 844 B11R0.1 CCOC(=O)OC(C)SC(C)C 62a_100000210206_100000036008 [0,1,0,0,0,0|3,0,0]=4 845 B11R0.1 CCSC(C)CC(=O)CC(C)C 1458a_200011311441_100000210624 [0,1,0,0,0,0|3,0,0]=4 846 B11R0.1 CCSC(C)CC(=O)CC(C)O 1458a_200011311441_100011218427 [0,1,0,0,0,0|3,0,0]=4 847 B11R0.1 CCSC(C)CC(=O)NC(C)C 11a_100138425928_200011311441 [0,1,0,0,0,0|3,0,0]=4 848 B11R0.1 CCSC(C)CC(=O)NC(C)C 1626a_100138425928_200011311441 [0,1,0,0,0,0|3,0,0]=4 849 B11R0.1 CCSC(C)CC(=O)NC(C)C 240690a_100138425928_200011311441 [0,1,0,0,0,0|3,0,0]=4 850 B11R0.1 CCSC(C)CC(=O)NC(C)C 527a_100138425928_200011311441 [0,1,0,0,0,0|3,0,0]=4 851 B11R0.1 CCSC(C)OC(=O)OC(C)C 62a_100000067433_100000210202 [0,1,0,0,0,0|3,0,0]=4 852 B11R0.1 CCSC(C)OC(=O)OC(C)C 62a_100000210202_100000067433 [0,1,0,0,0,0|3,0,0]=4 853 B11R0.1 COCC(=O)CC(=O)OC(C)C 1458a_100000210968_100011215430 [0,1,0,0,0,0|1,0,2]=4 854 B11R0.1 CSCC(=O)CC(=O)OC(C)C 1458a_100000184570_100011215430 [0,1,0,0,0,0|1,0,2]=4 855 B11R0.5 C#CCCC(=O)CC(=O)OCC 1458a_100000243816_100000753159 [0,1,0,0,0,0|0,0,3]=4 856 B11R0.5 C#CCCC(=O)CC(=O)OCC 1458a_100000692101_100000188475 [0,1,0,0,0,0|0,0,3]=4 857 B11R0.5 C#CCCC(=O)CC(C)CCC 1458a_100000692101_100011216630 [0,1,0,0,0,0|2,0,1]=4 858 B11R0.5 C#CCCC(=O)CC(C)CCC 1458a_100000748435_100000753159 [0,1,0,0,0,0|2,0,1]=4 859 B11R0.5 C#CCCN(C)CC(=O)OCC 2230a_100000220588_100000688953 [0,1,0,0,0,0|2,0,1]=4 860 B11R0.5 C#CCNC(=O)CC(C)CCC 11a_100000212058_100000748435 [0,1,0,0,0,0|2,0,1]=4 861 B11R0.5 C#CCNC(=O)CC(C)CCC 1626a_100000212058_100000748435 [0,1,0,0,0,0|2,0,1]=4 862 B11R0.5 C#CCNC(=O)CC(C)CCC 240690a_100000212058_100000748435 [0,1,0,0,0,0|2,0,1]=4 863 B11R0.5 C#CCNC(=O)CC(C)CCC 527a_100000212058_100000748435 [0,1,0,0,0,0|2,0,1]=4 864 B11R0.5 C#CCO[C@H](C)CC(=O)OCC 7a_100009816390_100000038162 [0,1,0,0,0,0|1,0,2]=4 865 B11R0.5 C#CCSC(C)CC(=O)OCC 62a_100000038162_100009817359 [0,1,0,0,0,0|1,0,2]=4 866 B11R0.5 C/C=C/CC(=O)CC(=O)OCC 1458a_100000243816_100102629194 [0,1,0,0,0,0|0,0,3]=4 867 B11R0.5 C/C=C/CC(=O)CC(C)CCC 1458a_100000748435_100102629194 [0,1,0,0,0,0|2,0,1]=4 868 B11R0.5 C=C(CC(=O)CCC)OCOC 1458a_100000211992_100000042856 [0,1,0,0,0,0|1,0,2]=4 869 B11R0.5 C=C(CCC)CC(=O)CCCC 1458a_100000138376_100000210211 [0,1,0,0,0,0|2,0,1]=4 870 B11R0.5 C=C(CCC)CC(=O)CCCF 1458a_100000138376_100011934791 [0,1,0,0,0,0|2,0,1]=4 871 B11R0.5 C=C(CCC)CC(=O)CCCO 1458a_100000138376_100011215043 [0,1,0,0,0,0|2,0,1]=4 872 B11R0.5 C=C(CCC)CC(=O)CCOC 1458a_100000138376_100000233755 [0,1,0,0,0,0|2,0,1]=4 873 B11R0.5 C=C(CCC)CC(=O)CCSC 1458a_100000138376_100000751147 [0,1,0,0,0,0|2,0,1]=4 874 B11R0.5 C=C(CCC)CC(=O)NCCC 11a_100020643023_100000138376 [0,1,0,0,0,0|2,0,1]=4 875 B11R0.5 C=C(CCC)CC(=O)NCCC 240690a_100020643023_100000138376 [0,1,0,0,0,0|2,0,1]=4 876 B11R0.5 C=C(CCC)CC(=O)NCCC 527a_100020643023_100000138376 [0,1,0,0,0,0|2,0,1]=4 877 B11R0.5 C=C(CCC)CC(=O)NCCF 11a_100000724931_100000138376 [0,1,0,0,0,0|2,0,1]=4 878 B11R0.5 C=C(CCC)CC(=O)NCCF 240690a_100000724931_100000138376 [0,1,0,0,0,0|2,0,1]=4 879 B11R0.5 C=C(CCC)CC(=O)NCCF 527a_100000724931_100000138376 [0,1,0,0,0,0|2,0,1]=4 880 B11R0.5 C=C(CCC)CC(=O)NCCO 240690a_100000210304_100000138376 [0,1,0,0,0,0|2,0,1]=4 881 B11R0.5 C=C(CCC)CC(=O)NCCO 527a_100000210304_100000138376 [0,1,0,0,0,0|2,0,1]=4 882 B11R0.5 C=C(CCC)CC(=O)NNCC 22a_100000756455_100000138376 [0,1,0,0,0,0|2,0,1]=4 883 B11R0.5 C=C(CN(C)CCC)OCOC 269982a_100000747261_100000042856 [0,1,0,0,0,0|3,0,0]=4 884 B11R0.5 C=CCCC(=O)CC(=O)OCC 1458a_100000243816_100000754431 [0,1,0,0,0,0|0,0,3]=4 885 B11R0.5 C=CCCC(=O)CC(=O)OCC 1458a_100000749702_100000188475 [0,1,0,0,0,0|0,0,3]=4 886 B11R0.5 C=CCCC(=O)CC(C)CCC 1458a_100000748435_100000754431 [0,1,0,0,0,0|2,0,1]=4 887 B11R0.5 C=CCCC(=O)CC(C)CCC 1458a_100000749702_100011216630 [0,1,0,0,0,0|2,0,1]=4 888 B11R0.5 C=CCCN(C)CC(=O)OCC 2230a_100000220588_100000754431 [0,1,0,0,0,0|2,0,1]=4 889 B11R0.5 C=CCCN(C)CC(=O)OCC 2230a_100020639649_100000188475 [0,1,0,0,0,0|2,0,1]=4 890 B11R0.5 C=CCCN(C)CC(=O)OCC 269982a_100020639649_100000188475 [0,1,0,0,0,0|2,0,1]=4 891 B11R0.5 C=CCNC(=O)CC(C)CCC 1626a_100020586998_100000748435 [0,1,0,0,0,0|2,0,1]=4 892 B11R0.5 C=CCNC(=O)CC(C)CCC 240690a_100020586998_100000748435 [0,1,0,0,0,0|2,0,1]=4 893 B11R0.5 C=CCNC(=O)CC(C)CCC 527a_100020586998_100000748435 [0,1,0,0,0,0|2,0,1]=4 894 B11R0.5 C=CCNC(C)CC(=O)OCC 2230a_100020586998_100009817359 [0,1,0,0,0,0|1,0,2]=4 895 B11R0.5 C=CCOC(=O)CC(=O)CCC 1458a_100000211992_100000033060 [0,1,0,0,0,0|0,0,3]=4 896 B11R0.5 C=CCOC(=O)CN(C)CCC 2230a_100000747261_100000033060 [0,1,0,0,0,0|2,0,1]=4 897 B11R0.5 C=CCOC(=O)CN(C)CCC 269982a_100000747261_100000033060 [0,1,0,0,0,0|2,0,1]=4 898 B11R0.5 C=CCO[C@H](C)CC(=O)OCC 7a_100009816390_100015514636 [0,1,0,0,0,0|1,0,2]=4 899 B11R0.5 C=CCSC(C)CC(=O)OCC 62a_100000210623_100009817359 [0,1,0,0,0,0|1,0,2]=4 900 B11R0.5 C=CCSC(C)CC(=O)OCC 62a_100009817359_100000210623 [0,1,0,0,0,0|1,0,2]=4 901 B11R0.5 CC#CCC(=O)CC(=O)OCC 1458a_100000243816_100000748600 [0,1,0,0,0,0|0,0,3]=4 902 B11R0.5 CC#CCC(=O)CC(C)CCC 1458a_100000748435_100000748600 [0,1,0,0,0,0|2,0,1]=4 903 B11R0.5 CC#CCN(C)CC(=O)OCC 2230a_100000220588_100000748600 [0,1,0,0,0,0|2,0,1]=4 904 B11R0.5 CC=CCC(=O)CC(=O)OCC 1458a_100000243816_100000070051 [0,1,0,0,0,0|0,0,3]=4 905 B11R0.5 CC=CCC(=O)CC(=O)OCC 1458a_100121576822_100000188475 [0,1,0,0,0,0|0,0,3]=4 906 B11R0.5 CC=CCC(=O)CC(C)CCC 1458a_100000748435_100000070051 [0,1,0,0,0,0|2,0,1]=4 907 B11R0.5 CC=CCC(=O)CC(C)CCC 1458a_100121576822_100011216630 [0,1,0,0,0,0|2,0,1]=4 908 B11R0.5 CC=CCN(C)CC(=O)OCC 2230a_100000220588_100000070051 [0,1,0,0,0,0|2,0,1]=4 909 B11R0.5 CCC#CC(=O)CC(=O)CCC 1458a_100011827653_100000747444 [0,1,0,0,0,0|1,0,2]=4 910 B11R0.5 CCC#CC(=O)CC(=O)OCC 1458a_100011827653_100000188475 [0,1,0,0,0,0|0,0,3]=4 911 B11R0.5 CCC#CC(=O)CC(C)CCC 1458a_100011827653_100011216630 [0,1,0,0,0,0|2,0,0]=3 912 B11R0.5 CCC=CC(=O)CC(=O)CCC 1458a_100000212282_100000747444 [0,1,0,0,0,0|1,0,2]=4 913 B11R0.5 CCC=CC(=O)CC(=O)OCC 1458a_100000212282_100000188475 [0,1,0,0,0,0|0,0,3]=4 914 B11R0.5 CCC=CC(=O)CC(C)CCC 1458a_100000212282_100011216630 [0,1,0,0,0,0|2,0,0]=3 915 B11R0.5 CCC=CC(=O)NC(C)CCC 11a_100000741246_100000212282 [0,1,0,0,0,0|3,0,0]=4 916 B11R0.5 CCC=CC(=O)NC(C)CCC 1626a_100000741246_100000212282 [0,1,0,0,0,0|3,0,0]=4 917 B11R0.5 CCC=CC(=O)NC(C)CCC 240690a_100000741246_100000212282 [0,1,0,0,0,0|3,0,0]=4 918 B11R0.5 CCCC(=O)CC(=O)CCOC 1458a_100000749529_100000747444 [0,1,0,0,0,0|1,0,2]=4 919 B11R0.5 CCCC(=O)CC(=O)CCSC 1458a_100000174002_100000747444 [0,1,0,0,0,0|1,0,2]=4 920 B11R0.5 CCCC(=O)CC(=O)COCC 1458a_100000211967_100000747444 [0,1,0,0,0,0|0,0,2]=3 921 B11R0.5 CCCC(=O)CC(=O)CSCC 1458a_100000230394_100000747444 [0,1,0,0,0,0|0,1,2]=4 922 B11R0.5 CCCC(=O)CN(C)CCCO 2230a_100000213112_100000747444 [0,1,0,0,0,0|3,0,0]=4 923 B11R0.5 CCCC(=O)CN(C)CCCO 269982a_100000213112_100000747444 [0,1,0,0,0,0|3,0,0]=4 924 B11R0.5 CCCC(=O)CN(C)CCOC 2230a_100000743101_100000747444 [0,1,0,0,0,0|3,0,0]=4 925 B11R0.5 CCCC(=O)CN(C)CCOC 269982a_100000743101_100000747444 [0,1,0,0,0,0|3,0,0]=4 926 B11R0.5 CCCC(=O)CN(C)CCSC 2230a_100000686725_100000747444 [0,1,0,0,0,0|3,0,0]=4 927 B11R0.5 CCCC(=O)CN(C)CCSC 269982a_100000686725_100000747444 [0,1,0,0,0,0|3,0,0]=4 928 B11R0.5 CCCC(C)CC(=O)C#CCO 1458a_100000049017_100011216630 [0,1,0,0,0,0|2,0,1]=4 929 B11R0.5 CCCC(C)CC(=O)C=COC 1458a_100016268678_100011216630 [0,1,0,0,0,0|2,0,1]=4 930 B11R0.5 CCCC(C)CC(=O)CCC#N 1458a_100000748435_100011215226 [0,1,0,0,0,0|2,0,1]=4 931 B11R0.5 CCCC(C)CC(=O)CCC#N 1458a_100011934036_100011216630 [0,1,0,0,0,0|2,0,1]=4 932 B11R0.5 CCCC(C)CC(=O)CCCF 1458a_100000748435_100011934791 [0,1,0,0,0,0|2,0,0]=3 933 B11R0.5 CCCC(C)CC(=O)CCCO 1458a_100000748435_100011215043 [0,1,0,0,0,0|2,0,0]=3 934 B11R0.5 CCCC(C)CC(=O)CCOC 1458a_100000748435_100000233755 [0,1,0,0,0,0|2,0,0]=3 935 B11R0.5 CCCC(C)CC(=O)CCOC 1458a_100000749529_100011216630 [0,1,0,0,0,0|2,0,0]=3 936 B11R0.5 CCCC(C)CC(=O)CCSC 1458a_100000174002_100011216630 [0,1,0,0,0,0|2,0,0]=3 937 B11R0.5 CCCC(C)CC(=O)CCSC 1458a_100000748435_100000751147 [0,1,0,0,0,0|2,0,0]=3 938 B11R0.5 CCCC(C)CC(=O)COCC 1458a_100000211967_100011216630 [0,1,0,0,0,0|1,0,0]=2 939 B11R0.5 CCCC(C)CC(=O)CSCC 1458a_100000230394_100011216630 [0,1,0,0,0,0|1,1,0]=3 940 B11R0.5 CCCC(C)CC(=O)NCC#N 1626a_100000734998_100000748435 [0,1,0,0,0,0|2,0,1]=4 941 B11R0.5 CCCC(C)CC(=O)NCC#N 527a_100000734998_100000748435 [0,1,0,0,0,0|2,0,1]=4 942 B11R0.5 CCCC(C)CC(=O)NCCF 11a_100000724931_100000748435 [0,1,0,0,0,0|2,0,0]=3 943 B11R0.5 CCCC(C)CC(=O)NCCF 1626a_100000724931_100000748435 [0,1,0,0,0,0|2,0,0]=3 944 B11R0.5 CCCC(C)CC(=O)NCCF 240690a_100000724931_100000748435 [0,1,0,0,0,0|2,0,0]=3 945 B11R0.5 CCCC(C)CC(=O)NCCF 527a_100000724931_100000748435 [0,1,0,0,0,0|2,0,0]=3 946 B11R0.5 CCCC(C)CC(=O)NCCO 240690a_100000210304_100000748435 [0,1,0,0,0,0|2,0,0]=3 947 B11R0.5 CCCC(C)CC(=O)NCCO 527a_100000210304_100000748435 [0,1,0,0,0,0|2,0,0]=3 948 B11R0.5 CCCC(C)CC(=O)NNCC 22a_100000756455_100000748435 [0,1,0,0,0,0|2,0,0]=3 949 B11R0.5 CCCC(C)NC(=O)CCOC 11a_100000741246_100000749529 [0,1,0,0,0,0|3,0,0]=4 950 B11R0.5 CCCC(C)NC(=O)CCOC 1626a_100000741246_100000749529 [0,1,0,0,0,0|3,0,0]=4 951 B11R0.5 CCCC(C)NC(=O)CCOC 240690a_100000741246_100000749529 [0,1,0,0,0,0|3,0,0]=4 952 B11R0.5 CCCC(C)NC(=O)CCOC 527a_100000741246_100000749529 [0,1,0,0,0,0|3,0,0]=4 953 B11R0.5 CCCC(C)NC(=O)CCSC 11a_100000741246_100000174002 [0,1,0,0,0,0|3,0,0]=4 954 B11R0.5 CCCC(C)NC(=O)CCSC 1626a_100000741246_100000174002 [0,1,0,0,0,0|3,0,0]=4 955 B11R0.5 CCCC(C)NC(=O)CCSC 240690a_100000741246_100000174002 [0,1,0,0,0,0|3,0,0]=4 956 B11R0.5 CCCC(C)NC(=O)CCSC 527a_100000741246_100000174002 [0,1,0,0,0,0|3,0,0]=4 957 B11R0.5 CCCC(C)NC(=O)COCC 11a_100000741246_100000211967 [0,1,0,0,0,0|2,0,0]=3 958 B11R0.5 CCCC(C)NC(=O)COCC 1626a_100000741246_100000211967 [0,1,0,0,0,0|2,0,0]=3 959 B11R0.5 CCCC(C)NC(=O)COCC 240690a_100000741246_100000211967 [0,1,0,0,0,0|2,0,0]=3 960 B11R0.5 CCCC(C)NC(=O)COCC 527a_100000741246_100000211967 [0,1,0,0,0,0|2,0,0]=3 961 B11R0.5 CCCC(C)NC(=O)CSCC 11a_100000741246_100000230394 [0,1,0,0,0,0|2,1,0]=4 962 B11R0.5 CCCC(C)NC(=O)CSCC 1626a_100000741246_100000230394 [0,1,0,0,0,0|2,1,0]=4 963 B11R0.5 CCCC(C)NC(=O)CSCC 240690a_100000741246_100000230394 [0,1,0,0,0,0|2,1,0]=4 964 B11R0.5 CCCC(C)NC(=O)CSCC 527a_100000741246_100000230394 [0,1,0,0,0,0|2,1,0]=4 965 B11R0.5 CCCC(C)NC(=O)NCCF 2708a_100000741246_100000724931 [0,1,0,0,0,0|3,0,0]=4 966 B11R0.5 CCCC(C)NC(=O)NCCF 273464a_100000741246_100000724931 [0,1,0,0,0,0|3,0,0]=4 967 B11R0.5 CCCC(C)NC(=O)NCCF 512a_100000741246_100000724931 [0,1,0,0,0,0|3,0,0]=4 968 B11R0.5 CCCC(C)NC(=O)NCCO 2708a_100000741246_100000210304 [0,1,0,0,0,0|3,0,0]=4 969 B11R0.5 CCCC(C)NC(=O)NCCO 273464a_100000741246_100000210304 [0,1,0,0,0,0|3,0,0]=4 970 B11R0.5 CCCC(C)NC(=O)NCCO 512a_100000741246_100000210304 [0,1,0,0,0,0|3,0,0]=4 971 B11R0.5 CCCC(C)NC(=O)NNCC 273464a_100000741246_100000756455 [0,1,0,0,0,0|3,0,0]=4 972 B11R0.5 CCCC(C)NC(=O)NNCC 512a_100000741246_100000756455 [0,1,0,0,0,0|3,0,0]=4 973 B11R0.5 CCCC(C)NC(=O)NNCC 512a_100000756455_100000741246 [0,1,0,0,0,0|3,0,0]=4 974 B11R0.5 CCCCC(=O)CC(=O)CCC 1458a_100000210183_100000747444 [0,1,0,0,0,0|1,0,2]=4 975 B11R0.5 CCCCC(=O)CC(=O)NCC 1458a_100000210183_100000183381 [0,1,0,0,0,0|1,0,2]=4 976 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000210183_100000188475 [0,1,0,0,0,0|0,0,2]=3 977 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210211 [0,1,0,0,0,0|0,0,2]=3 978 B11R0.5 CCCCC(=O)CC(C)CCC 1458a_100000210183_100011216630 [0,1,0,0,0,0|2,0,0]=3 979 B11R0.5 CCCCC(=O)CC(C)CCC 1458a_100000748435_100000210211 [0,1,0,0,0,0|2,0,0]=3 980 B11R0.5 CCCCC(=O)CC(C)SCC 1458a_200011311441_100000210211 [0,1,0,0,0,0|3,0,0]=4 981 B11R0.5 CCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210211 [0,1,0,0,0,0|2,0,1]=4 982 B11R0.5 CCCCC(=O)NC(C)CCC 11a_100000741246_100000210183 [0,1,0,0,0,0|3,0,0]=4 983 B11R0.5 CCCCC(=O)NC(C)CCC 1626a_100000741246_100000210183 [0,1,0,0,0,0|3,0,0]=4 984 B11R0.5 CCCCC(=O)NC(C)CCC 240690a_100000741246_100000210183 [0,1,0,0,0,0|3,0,0]=4 985 B11R0.5 CCCCC(=O)NC(C)CCC 527a_100000741246_100000210183 [0,1,0,0,0,0|3,0,0]=4 986 B11R0.5 CCCCC(C)NC(=O)CCC 11a_100000126638_100000211992 [0,1,0,0,0,0|3,0,0]=4 987 B11R0.5 CCCCC(C)NC(=O)CCC 1626a_100000126638_100000211992 [0,1,0,0,0,0|3,0,0]=4 988 B11R0.5 CCCCC(C)NC(=O)CCC 240690a_100000126638_100000211992 [0,1,0,0,0,0|3,0,0]=4 989 B11R0.5 CCCCC(C)NC(=O)CCC 527a_100000126638_100000211992 [0,1,0,0,0,0|3,0,0]=4 990 B11R0.5 CCCCC(C)NC(=O)NCC 2708a_100000126638_100015525214 [0,1,0,0,0,0|3,0,0]=4 991 B11R0.5 CCCCC(C)NC(=O)NCC 2708a_100015525214_100000126638 [0,1,0,0,0,0|3,0,0]=4 992 B11R0.5 CCCCC(C)NC(=O)NCC 273464a_100000126638_100015525214 [0,1,0,0,0,0|3,0,0]=4 993 B11R0.5 CCCCC(C)NC(=O)NCC 273464a_100015525214_100000126638 [0,1,0,0,0,0|3,0,0]=4 994 B11R0.5 CCCCC(C)NC(=O)NCC 512a_100000126638_100015525214 [0,1,0,0,0,0|3,0,0]=4 995 B11R0.5 CCCCC(C)NC(=O)NCC 512a_100015525214_100000126638 [0,1,0,0,0,0|3,0,0]=4 996 B11R0.5 CCCCN(C)CC(=O)CCC 2230a_100000207549_100000747444 [0,1,0,0,0,0|3,0,0]=4 997 B11R0.5 CCCCN(C)CC(=O)CCC 269982a_100000207549_100000747444 [0,1,0,0,0,0|3,0,0]=4 998 B11R0.5 CCCCN(C)CC(=O)NCC 2230a_100000207549_100000183381 [0,1,0,0,0,0|3,0,0]=4 999 B11R0.5 CCCCN(C)CC(=O)NCC 2230a_100000741943_100000210211 [0,1,0,0,0,0|3,0,0]=4 1000 B11R0.5 CCCCN(C)CC(=O)NCC 269982a_100000207549_100000183381 [0,1,0,0,0,0|3,0,0]=4 1001 B11R0.5 CCCCN(C)CC(=O)NCC 269982a_100000741943_100000210211 [0,1,0,0,0,0|3,0,0]=4 1002 B11R0.5 CCCCN(C)CC(=O)OCC 2230a_100000207549_100000188475 [0,1,0,0,0,0|2,0,0]=3 1003 B11R0.5 CCCCN(C)CC(=O)OCC 2230a_100000220588_100000210211 [0,1,0,0,0,0|2,0,0]=3 1004 B11R0.5 CCCCN(C)CC(=O)OCC 269982a_100000207549_100000188475 [0,1,0,0,0,0|2,0,0]=3 1005 B11R0.5 CCCNC(=O)CC(=O)CCC 1458a_100000211992_100000183358 [0,1,0,0,0,0|1,0,2]=4 1006 B11R0.5 CCCNC(=O)CC(=O)OCC 240690a_100020643023_100000243816 [0,1,0,0,0,0|0,0,2]=3 1007 B11R0.5 CCCNC(=O)CC(C)CCC 11a_100020643023_100000748435 [0,1,0,0,0,0|2,0,0]=3 1008 B11R0.5 CCCNC(=O)CC(C)CCC 1626a_100020643023_100000748435 [0,1,0,0,0,0|2,0,0]=3 1009 B11R0.5 CCCNC(=O)CC(C)CCC 240690a_100020643023_100000748435 [0,1,0,0,0,0|2,0,0]=3 1010 B11R0.5 CCCNC(=O)CC(C)CCC 527a_100020643023_100000748435 [0,1,0,0,0,0|2,0,0]=3 1011 B11R0.5 CCCNC(=O)CC(C)SCC 11a_100020643023_200011311441 [0,1,0,0,0,0|3,0,0]=4 1012 B11R0.5 CCCNC(=O)CC(C)SCC 1626a_100020643023_200011311441 [0,1,0,0,0,0|3,0,0]=4 1013 B11R0.5 CCCNC(=O)CC(C)SCC 240690a_100020643023_200011311441 [0,1,0,0,0,0|3,0,0]=4 1014 B11R0.5 CCCNC(=O)CC(C)SCC 527a_100020643023_200011311441 [0,1,0,0,0,0|3,0,0]=4 1015 B11R0.5 CCCNC(=O)CN(C)CCC 2230a_100000684209_100000210303 [0,1,0,0,0,0|3,0,0]=4 1016 B11R0.5 CCCNC(=O)CN(C)CCC 2230a_100000747261_100000183358 [0,1,0,0,0,0|3,0,0]=4 1017 B11R0.5 CCCNC(=O)CN(C)CCC 269982a_100000684209_100000210303 [0,1,0,0,0,0|3,0,0]=4 1018 B11R0.5 CCCNC(=O)CN(C)CCC 269982a_100000747261_100000183358 [0,1,0,0,0,0|3,0,0]=4 1019 B11R0.5 CCCNC(=O)CS(=O)CCC 11a_100020643023_100011387404 [0,1,0,0,0,0|2,0,1]=4 1020 B11R0.5 CCCNC(=O)CS(=O)CCC 1626a_100020643023_100011387404 [0,1,0,0,0,0|2,0,1]=4 1021 B11R0.5 CCCNC(=O)CS(=O)CCC 240690a_100020643023_100011387404 [0,1,0,0,0,0|2,0,1]=4 1022 B11R0.5 CCCNC(=O)CS(=O)CCC 527a_100020643023_100011387404 [0,1,0,0,0,0|2,0,1]=4 1023 B11R0.5 CCCNC(=O)NC(C)CCC 2708a_100000741246_100020643023 [0,1,0,0,0,0|3,0,0]=4 1024 B11R0.5 CCCNC(=O)NC(C)CCC 2708a_100020643023_100000741246 [0,1,0,0,0,0|3,0,0]=4 1025 B11R0.5 CCCNC(=O)NC(C)CCC 273464a_100000741246_100020643023 [0,1,0,0,0,0|3,0,0]=4 1026 B11R0.5 CCCNC(=O)NC(C)CCC 512a_100000741246_100020643023 [0,1,0,0,0,0|3,0,0]=4 1027 B11R0.5 CCCNC(=O)NC(C)CCC 512a_100020643023_100000741246 [0,1,0,0,0,0|3,0,0]=4 1028 B11R0.5 CCCOC(=O)CC(=O)CCC 1458a_100000211992_200011215008 [0,1,0,0,0,0|0,0,2]=3 1029 B11R0.5 CCCOC(=O)CC(=O)CCO 1458a_100011216618_200011215008 [0,1,0,0,0,0|1,0,2]=4 1030 B11R0.5 CCCOC(=O)CC(=O)COC 1458a_100000210968_200011215008 [0,1,0,0,0,0|1,0,2]=4 1031 B11R0.5 CCCOC(=O)CC(=O)CSC 1458a_100000184570_200011215008 [0,1,0,0,0,0|1,0,2]=4 1032 B11R0.5 CCCOC(=O)CN(C)CCC 2230a_100000747261_200011215008 [0,1,0,0,0,0|2,0,0]=3 1033 B11R0.5 CCCOC(=O)CN(C)CCC 269982a_100000747261_200011215008 [0,1,0,0,0,0|2,0,0]=3 1034 B11R0.5 CCCOC(=O)CN(C)CCO 2230a_100000210263_200011215008 [0,1,0,0,0,0|3,0,0]=4 1035 B11R0.5 CCCOC(=O)CN(C)CCO 269982a_100000210263_200011215008 [0,1,0,0,0,0|3,0,0]=4 1036 B11R0.5 CCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210303 [0,1,0,0,0,0|1,0,0]=2 1037 B11R0.5 CCCS(=O)CC(=O)CCCF 1458a_100011387404_100011934791 [0,1,0,0,0,0|2,0,1]=4 1038 B11R0.5 CCCS(=O)CC(=O)CCCO 1458a_100011387404_100011215043 [0,1,0,0,0,0|2,0,1]=4 1039 B11R0.5 CCCS(=O)CC(=O)CCOC 1458a_100011387404_100000233755 [0,1,0,0,0,0|2,0,1]=4 1040 B11R0.5 CCCS(=O)CC(=O)CCSC 1458a_100011387404_100000751147 [0,1,0,0,0,0|2,0,1]=4 1041 B11R0.5 CCCS(=O)CC(=O)NCCF 11a_100000724931_100011387404 [0,1,0,0,0,0|2,0,1]=4 1042 B11R0.5 CCCS(=O)CC(=O)NCCF 1626a_100000724931_100011387404 [0,1,0,0,0,0|2,0,1]=4 1043 B11R0.5 CCCS(=O)CC(=O)NCCF 240690a_100000724931_100011387404 [0,1,0,0,0,0|2,0,1]=4 1044 B11R0.5 CCCS(=O)CC(=O)NCCF 527a_100000724931_100011387404 [0,1,0,0,0,0|2,0,1]=4 1045 B11R0.5 CCCS(=O)CC(=O)NCCO 240690a_100000210304_100011387404 [0,1,0,0,0,0|2,0,1]=4 1046 B11R0.5 CCCS(=O)CC(=O)NCCO 527a_100000210304_100011387404 [0,1,0,0,0,0|2,0,1]=4 1047 B11R0.5 CCCS(=O)CC(=O)NNCC 22a_100000756455_100011387404 [0,1,0,0,0,0|2,0,1]=4 1048 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100000210303_100009817359 [0,1,0,0,0,0|1,0,0]=2 1049 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100009817359_100000210303 [0,1,0,0,0,0|1,0,0]=2 1050 B11R0.5 CCCSC(C)OC(=O)OCC 62a_100000036008_100000210303 [0,1,0,0,0,0|2,0,0]=3 1051 B11R0.5 CCCSC(C)OC(=O)OCC 62a_100000210303_100000036008 [0,1,0,0,0,0|2,0,0]=3 1052 B11R0.5 CCNC(=O)CC(=O)CCOC 1458a_100000749529_100000183381 [0,1,0,0,0,0|1,0,2]=4 1053 B11R0.5 CCNC(=O)CC(=O)CCSC 1458a_100000174002_100000183381 [0,1,0,0,0,0|1,0,2]=4 1054 B11R0.5 CCNC(=O)CC(=O)COCC 1458a_100000211967_100000183381 [0,1,0,0,0,0|1,0,2]=4 1055 B11R0.5 CCNC(=O)CC(=O)CSCC 1458a_100000230394_100000183381 [0,1,0,0,0,0|1,0,2]=4 1056 B11R0.5 CCNC(=O)CN(C)CCCF 2230a_100000741943_100011934791 [0,1,0,0,0,0|3,0,0]=4 1057 B11R0.5 CCNC(=O)CN(C)CCCF 269982a_100000741943_100011934791 [0,1,0,0,0,0|3,0,0]=4 1058 B11R0.5 CCNC(=O)CN(C)CCCO 2230a_100000213112_100000183381 [0,1,0,0,0,0|3,0,0]=4 1059 B11R0.5 CCNC(=O)CN(C)CCCO 2230a_100000741943_100000230001 [0,1,0,0,0,0|3,0,0]=4 1060 B11R0.5 CCNC(=O)CN(C)CCCO 269982a_100000213112_100000183381 [0,1,0,0,0,0|3,0,0]=4 1061 B11R0.5 CCNC(=O)CN(C)CCCO 269982a_100000741943_100011215043 [0,1,0,0,0,0|3,0,0]=4 1062 B11R0.5 CCNC(=O)CN(C)CCOC 2230a_100000741943_100011201679 [0,1,0,0,0,0|3,0,0]=4 1063 B11R0.5 CCNC(=O)CN(C)CCOC 2230a_100000743101_100000183381 [0,1,0,0,0,0|3,0,0]=4 1064 B11R0.5 CCNC(=O)CN(C)CCOC 240690a_100015525214_100015184299 [0,1,0,0,0,0|3,0,0]=4 1065 B11R0.5 CCNC(=O)CN(C)CCOC 269982a_100000741943_100000233755 [0,1,0,0,0,0|3,0,0]=4 1066 B11R0.5 CCNC(=O)CN(C)CCOC 269982a_100000743101_100000183381 [0,1,0,0,0,0|3,0,0]=4 1067 B11R0.5 CCNC(=O)CN(C)CCOC 527a_100015525214_100015184299 [0,1,0,0,0,0|3,0,0]=4 1068 B11R0.5 CCNC(=O)CN(C)CCSC 2230a_100000686725_100000183381 [0,1,0,0,0,0|3,0,0]=4 1069 B11R0.5 CCNC(=O)CN(C)CCSC 2230a_100000741943_100000751147 [0,1,0,0,0,0|3,0,0]=4 1070 B11R0.5 CCNC(=O)CN(C)CCSC 269982a_100000686725_100000183381 [0,1,0,0,0,0|3,0,0]=4 1071 B11R0.5 CCNC(=O)CN(C)CCSC 269982a_100000741943_100000212216 [0,1,0,0,0,0|3,0,0]=4 1072 B11R0.5 CCNC(=O)CN(C)COCC 269982a_100000741943_100000739092 [0,1,0,0,0,0|3,0,0]=4 1073 B11R0.5 CCNCC(=CC(=O)OCC)C 2230a_100015525214_100135422193 [0,1,0,0,0,0|1,0,2]=4 1074 B11R0.5 CCNNC(=O)CC(=O)OCC 22a_100000756455_100000243816 [0,1,0,0,0,0|1,0,2]=4 1075 B11R0.5 CCNNC(=O)CC(C)SCC 22a_100000756455_200011311441 [0,1,0,0,0,0|3,0,0]=4 1076 B11R0.5 CCOC(=O)C=C(C)CSCC 62a_100000210202_100135422193 [0,1,0,0,0,0|1,0,2]=4 1077 B11R0.5 CCOC(=O)C=C(C)CSCC 62a_100135422193_100000210202 [0,1,0,0,0,0|1,0,2]=4 1078 B11R0.5 CCOC(=O)CC(=O)CCC#N 1458a_100000243816_100011215226 [0,1,0,0,0,0|0,0,3]=4 1079 B11R0.5 CCOC(=O)CC(=O)CCC#N 1458a_100011934036_100000188475 [0,1,0,0,0,0|0,0,3]=4 1080 B11R0.5 CCOC(=O)CC(=O)CCCF 1458a_100000243816_100011934791 [0,1,0,0,0,0|0,0,2]=3 1081 B11R0.5 CCOC(=O)CC(=O)CCCO 1458a_100000243816_100011215043 [0,1,0,0,0,0|0,0,2]=3 1082 B11R0.5 CCOC(=O)CC(=O)CCOC 1458a_100000243816_100000233755 [0,1,0,0,0,0|0,0,2]=3 1083 B11R0.5 CCOC(=O)CC(=O)CCOC 1458a_100000749529_100000188475 [0,1,0,0,0,0|0,0,2]=3 1084 B11R0.5 CCOC(=O)CC(=O)CCSC 1458a_100000174002_100000188475 [0,1,0,0,0,0|0,0,2]=3 1085 B11R0.5 CCOC(=O)CC(=O)CCSC 1458a_100000243816_100000751147 [0,1,0,0,0,0|0,0,2]=3 1086 B11R0.5 CCOC(=O)CC(=O)CSCC 1458a_100000230394_100000188475 [0,1,0,0,0,0|0,0,2]=3 1087 B11R0.5 CCOC(=O)CC(=O)CSCC 62a_100000210202_100000210311 [0,1,0,0,0,0|0,0,2]=3 1088 B11R0.5 CCOC(=O)CC(=O)CSCC 62a_100000210311_100000210202 [0,1,0,0,0,0|0,0,2]=3 1089 B11R0.5 CCOC(=O)CC(=O)CSCF 62a_100000210311_100015361967 [0,1,0,0,0,0|1,0,2]=4 1090 B11R0.5 CCOC(=O)CC(=O)CSCF 62a_100015361967_100000210311 [0,1,0,0,0,0|1,0,2]=4 1091 B11R0.5 CCOC(=O)CC(=O)NCCF 240690a_100000724931_100000243816 [0,1,0,0,0,0|1,0,2]=4 1092 B11R0.5 CCOC(=O)CC(=O)NCCO 240690a_100000210304_100000243816 [0,1,0,0,0,0|1,0,2]=4 1093 B11R0.5 CCOC(=O)CC(C)NCCO 2230a_100016997473_100009817359 [0,1,0,0,0,0|2,0,0]=3 1094 B11R0.5 CCOC(=O)CC(C)SCC#N 62a_100009817359_100011215382 [0,1,0,0,0,0|2,0,1]=4 1095 B11R0.5 CCOC(=O)CC(C)SCC#N 62a_100011215382_100009817359 [0,1,0,0,0,0|2,0,1]=4 1096 B11R0.5 CCOC(=O)CC(C)SCC=O 62a_100009817359_200015260668 [0,1,0,0,0,0|2,0,1]=4 1097 B11R0.5 CCOC(=O)CC(C)SCC=O 62a_200015260668_100009817359 [0,1,0,0,0,0|2,0,1]=4 1098 B11R0.5 CCOC(=O)CC(C)SCCF 62a_100009817359_100011217306 [0,1,0,0,0,0|2,0,0]=3 1099 B11R0.5 CCOC(=O)CC(C)SCCF 62a_100011217306_100009817359 [0,1,0,0,0,0|2,0,0]=3 1100 B11R0.5 CCOC(=O)CC(C)SCCO 62a_100000211926_100009817359 [0,1,0,0,0,0|2,0,0]=3 1101 B11R0.5 CCOC(=O)CC(C)SCCO 62a_100009817359_100000211926 [0,1,0,0,0,0|2,0,0]=3 1102 B11R0.5 CCOC(=O)CC(C)SCOC 62a_100000766300_100009817359 [0,1,0,0,0,0|2,0,0]=3 1103 B11R0.5 CCOC(=O)CC(C)SCOC 62a_100009817359_100000766300 [0,1,0,0,0,0|2,0,0]=3 1104 B11R0.5 CCOC(=O)CC(C)SCSC 62a_100009817359_100011218213 [0,1,0,0,0,0|2,0,0]=3 1105 B11R0.5 CCOC(=O)CC(C)SCSC 62a_100011218213_100009817359 [0,1,0,0,0,0|2,0,0]=3 1106 B11R0.5 CCOC(=O)CN(C)CCC#N 2230a_100000184479_100000188475 [0,1,0,0,0,0|2,0,1]=4 1107 B11R0.5 CCOC(=O)CN(C)CCC#N 2230a_100000220588_100011215226 [0,1,0,0,0,0|2,0,1]=4 1108 B11R0.5 CCOC(=O)CN(C)CCCF 2230a_100000220588_100011934791 [0,1,0,0,0,0|2,0,0]=3 1109 B11R0.5 CCOC(=O)CN(C)CCCO 2230a_100000213112_100000188475 [0,1,0,0,0,0|2,0,0]=3 1110 B11R0.5 CCOC(=O)CN(C)CCCO 2230a_100000220588_100000230001 [0,1,0,0,0,0|2,0,0]=3 1111 B11R0.5 CCOC(=O)CN(C)CCCO 269982a_100000213112_100000188475 [0,1,0,0,0,0|2,0,0]=3 1112 B11R0.5 CCOC(=O)CN(C)CCOC 2230a_100000220588_100011201679 [0,1,0,0,0,0|2,0,0]=3 1113 B11R0.5 CCOC(=O)CN(C)CCOC 2230a_100000743101_100000188475 [0,1,0,0,0,0|2,0,0]=3 1114 B11R0.5 CCOC(=O)CN(C)CCOC 269982a_100000743101_100000188475 [0,1,0,0,0,0|2,0,0]=3 1115 B11R0.5 CCOC(=O)CN(C)CCSC 2230a_100000220588_100000751147 [0,1,0,0,0,0|2,0,0]=3 1116 B11R0.5 CCOC(=O)CN(C)CCSC 2230a_100000686725_100000188475 [0,1,0,0,0,0|2,0,0]=3 1117 B11R0.5 CCOC(=O)CN(C)CCSC 269982a_100000686725_100000188475 [0,1,0,0,0,0|2,0,0]=3 1118 B11R0.5 CCOC(=O)C[C@@H](C)OCC#N 7a_100009816390_100011215382 [0,1,0,0,0,0|2,0,1]=4 1119 B11R0.5 CCOC(=O)C[C@@H](C)OCC=O 7a_100009816390_200015260668 [0,1,0,0,0,0|2,0,1]=4 1120 B11R0.5 CCOC(=O)C[C@@H](C)OCCF 7a_100009816390_100011217306 [0,1,0,0,0,0|2,0,0]=3 1121 B11R0.5 CCOC(=O)C[C@@H](C)OCCO 7a_100009816390_100000211926 [0,1,0,0,0,0|2,0,0]=3 1122 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000210202_100000688340 [0,1,0,0,0,0|0,0,0]=1 1123 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000688340_100000210202 [0,1,0,0,0,0|0,0,0]=1 1124 B11R0.5 CCOC(=O)C[C@H](O)CSCF 62a_100000688340_100015361967 [0,1,0,0,0,0|1,0,0]=2 1125 B11R0.5 CCOC(=O)C[C@H](O)CSCF 62a_100015361967_100000688340 [0,1,0,0,0,0|1,0,0]=2 1126 B11R0.5 CCOC(=O)NC(=O)CSCC 62a_100000210202_100000010344 [0,1,0,0,0,0|1,0,2]=4 1127 B11R0.5 CCOC(=O)OC(C)SCCF 62a_100000036008_100011217306 [0,1,0,0,0,0|3,0,0]=4 1128 B11R0.5 CCOC(=O)OC(C)SCCF 62a_100011217306_100000036008 [0,1,0,0,0,0|3,0,0]=4 1129 B11R0.5 CCOC(=O)OC(C)SCCO 62a_100000036008_100000211926 [0,1,0,0,0,0|3,0,0]=4 1130 B11R0.5 CCOC(=O)OC(C)SCCO 62a_100000211926_100000036008 [0,1,0,0,0,0|3,0,0]=4 1131 B11R0.5 CCOC(=O)OC(C)SCOC 62a_100000036008_100000766300 [0,1,0,0,0,0|3,0,0]=4 1132 B11R0.5 CCOC(=O)OC(C)SCOC 62a_100000766300_100000036008 [0,1,0,0,0,0|3,0,0]=4 1133 B11R0.5 CCOC(=O)OC(C)SCSC 62a_100000036008_100011218213 [0,1,0,0,0,0|3,0,0]=4 1134 B11R0.5 CCOC(=O)OC(C)SCSC 62a_100011218213_100000036008 [0,1,0,0,0,0|3,0,0]=4 1135 B11R0.5 CCOCC(=CC(=O)OCC)C 34a_100121572206_100135422193 [0,1,0,0,0,0|1,0,2]=4 1136 B11R0.5 CCOCC(=O)CC(=O)OCC 1458a_100000211967_100000188475 [0,1,0,0,0,0|0,0,2]=3 1137 B11R0.5 CCOCC(=O)N[C@H](C)CCO 240690a_100000706166_100000211967 [0,1,0,0,0,0|3,0,0]=4 1138 B11R0.5 CCOCC(=O)N[C@H](C)CCO 527a_100000706166_100000211967 [0,1,0,0,0,0|3,0,0]=4 1139 B11R0.5 CCOCC(=O)N[C@H](C)COC 11a_100000764878_100000211967 [0,1,0,0,0,0|3,0,0]=4 1140 B11R0.5 CCOCC(=O)N[C@H](C)COC 1626a_100000764878_100000211967 [0,1,0,0,0,0|3,0,0]=4 1141 B11R0.5 CCOCC(=O)N[C@H](C)COC 240690a_100000764878_100000211967 [0,1,0,0,0,0|3,0,0]=4 1142 B11R0.5 CCOCC(=O)N[C@H](C)COC 527a_100000764878_100000211967 [0,1,0,0,0,0|3,0,0]=4 1143 B11R0.5 CCOCN(C)CC(O)COC 269982a_100000739405_100000739092 [0,1,0,0,0,0|3,0,0]=4 1144 B11R0.5 CCOC[C@@H](O)CC(=O)OCC 34a_100121572206_100000688340 [0,1,0,0,0,0|0,0,0]=1 1145 B11R0.5 CCSC(C)CC(=O)CCCF 1458a_200011311441_100011934791 [0,1,0,0,0,0|3,0,0]=4 1146 B11R0.5 CCSC(C)CC(=O)CCCO 1458a_200011311441_100011215043 [0,1,0,0,0,0|3,0,0]=4 1147 B11R0.5 CCSC(C)CC(=O)CCOC 1458a_200011311441_100000233755 [0,1,0,0,0,0|3,0,0]=4 1148 B11R0.5 CCSC(C)CC(=O)CCSC 1458a_200011311441_100000751147 [0,1,0,0,0,0|3,0,0]=4 1149 B11R0.5 CCSC(C)CC(=O)NCCF 11a_100000724931_200011311441 [0,1,0,0,0,0|3,0,0]=4 1150 B11R0.5 CCSC(C)CC(=O)NCCF 1626a_100000724931_200011311441 [0,1,0,0,0,0|3,0,0]=4 1151 B11R0.5 CCSC(C)CC(=O)NCCF 240690a_100000724931_200011311441 [0,1,0,0,0,0|3,0,0]=4 1152 B11R0.5 CCSC(C)CC(=O)NCCF 527a_100000724931_200011311441 [0,1,0,0,0,0|3,0,0]=4 1153 B11R0.5 CCSC(C)CC(=O)NCCO 240690a_100000210304_200011311441 [0,1,0,0,0,0|3,0,0]=4 1154 B11R0.5 CCSC(C)CC(=O)NCCO 527a_100000210304_200011311441 [0,1,0,0,0,0|3,0,0]=4 1155 B11R0.177 CCCC(=O)C(C)C(=O)NCC 1458a_100000211992_100000230173 [0,1,0,0,0,0|1,0,2]=4 1156 B11R0.177 CCCC(=O)C(C)C(=O)OCC 1458a_100000211992_100011216346 [0,1,0,0,0,0|0,0,2]=3 1157 B11R0.177 CCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000210303 [0,1,0,0,0,0|0,0,2]=3 1158 B11R0.177 CCCC(=O)C(F)C(=O)OCC 1458a_100000211992_100000760018 [0,1,0,0,0,0|0,0,2]=3 1159 B11R0.177 CCCC(C)C(=O)C(=O)NCC 1458a_200011297158_100000766640 [0,1,0,0,0,0|2,0,1]=4 1160 B11R0.177 CCCN(C)C(=O)C(=O)OCC 11a_100000747261_100014798877 [0,1,0,0,0,0|2,0,1]=4 1161 B11R0.177 CCCN(C)C(=O)C(=O)OCC 1626a_100000747261_100014798877 [0,1,0,0,0,0|2,0,1]=4 1162 B11R0.177 CCCN(C)C(=O)C(=O)OCC 240690a_100000747261_100014798877 [0,1,0,0,0,0|2,0,1]=4 1163 B11R0.177 CCCN(C)C(C)C(=O)NCC 2230a_100000747261_100000230173 [0,1,0,0,0,0|3,0,0]=4 1164 B11R0.177 CCCN(C)C(C)C(=O)NCC 269982a_100000747261_100000230173 [0,1,0,0,0,0|3,0,0]=4 1165 B11R0.177 CCCN(C)C(C)C(=O)OCC 2230a_100000747261_100011215307 [0,1,0,0,0,0|2,0,0]=3 1166 B11R0.177 CCCN(C)C(C)C(=O)OCC 269982a_100000747261_100011216346 [0,1,0,0,0,0|2,0,0]=3 1167 B11R0.177 CCCN(C)C(F)C(=O)OCC 2230a_100000747261_100000760018 [0,1,0,0,0,0|2,0,0]=3 1168 B11R0.177 CCCN(C)C(F)C(=O)OCC 269982a_100000747261_100000760018 [0,1,0,0,0,0|2,0,0]=3 1169 B11R0.177 CCNC(=O)C(C)C(=O)OCC 11a_100015525214_100132301724 [0,1,0,0,0,0|1,0,2]=4 1170 B11R0.177 CCNC(=O)C(C)C(=O)OCC 240690a_100015525214_100132301724 [0,1,0,0,0,0|1,0,2]=4 1171 B11R0.177 CCNC(=O)C(C)C(=O)OCC 527a_100015525214_100132301724 [0,1,0,0,0,0|1,0,2]=4 1172 B11R0.177 CCNC(C)C(=O)C(=O)OCC 2230a_100015525214_100010256902 [0,1,0,0,0,0|2,0,1]=4 1173 B11R0.177 CCOC(=O)C(=O)C(C)SCC 62a_100000210202_100010256902 [0,1,0,0,0,0|2,0,1]=4 1174 B11R0.177 CCOC(=O)C(=O)C(C)SCC 62a_100010256902_100000210202 [0,1,0,0,0,0|2,0,1]=4 1175 B11R0.177 CCOC(=O)C(C)C(=O)CCF 1458a_100132301724_100011217306 [0,1,0,0,0,0|1,0,2]=4 1176 B11R0.177 CCOC(=O)C(C)C(=O)CCO 1458a_100011216618_100011216346 [0,1,0,0,0,0|1,0,2]=4 1177 B11R0.177 CCOC(=O)C(C)C(=O)CCO 1458a_100132301724_100000211926 [0,1,0,0,0,0|1,0,2]=4 1178 B11R0.177 CCOC(=O)C(C)C(=O)COC 1458a_100000210968_100011216346 [0,1,0,0,0,0|1,0,2]=4 1179 B11R0.177 CCOC(=O)C(C)C(=O)CSC 1458a_100000184570_100011216346 [0,1,0,0,0,0|1,0,2]=4 1180 B11R0.177 CCOC(=O)C(C)N(C)CCO 2230a_100000210263_100011215307 [0,1,0,0,0,0|3,0,0]=4 1181 B11R0.177 CCOC(=O)C(C)N(C)CCO 269982a_100000210263_100011216346 [0,1,0,0,0,0|3,0,0]=4 1182 B11R0.177 CCOC(=O)C(F)C(=O)CCO 1458a_100011216618_100000760018 [0,1,0,0,0,0|1,0,2]=4 1183 B11R0.177 CCOC(=O)C(F)C(=O)COC 1458a_100000210968_100000760018 [0,1,0,0,0,0|1,0,2]=4 1184 B11R0.177 CCOC(=O)C(F)C(=O)CSC 1458a_100000184570_100000760018 [0,1,0,0,0,0|1,0,2]=4 1185 B11R0.177 CCOC(=O)C(F)N(C)CCO 2230a_100000210263_100000760018 [0,1,0,0,0,0|3,0,0]=4 1186 B11R0.177 CCOC(=O)C(F)N(C)CCO 269982a_100000210263_100000760018 [0,1,0,0,0,0|3,0,0]=4 1187 B11R0.182 CC=CC(=O)N[C@H](CO)CCC 240690a_100000732646_100000210699 [0,1,0,0,0,0|2,0,1]=4 1188 B11R0.182 CCCC(=O)CN(CC)CCC 2230a_100000226822_100000747444 [0,1,0,0,0,0|3,0,0]=4 1189 B11R0.182 CCCC(=O)CN(CC)CCC 269982a_100000226822_100000747444 [0,1,0,0,0,0|3,0,0]=4 1190 B11R0.182 CCCC(=O)NC(CC)CCC 11a_100000747048_100000211992 [0,1,0,0,0,0|3,0,0]=4 1191 B11R0.182 CCCC(=O)NC(CC)CCC 1626a_100000747048_100000211992 [0,1,0,0,0,0|3,0,0]=4 1192 B11R0.182 CCCC(=O)NC(CC)CCC 240690a_100000747048_100000211992 [0,1,0,0,0,0|3,0,0]=4 1193 B11R0.182 CCCC(=O)NC(CC)CCC 527a_100000747048_100000211992 [0,1,0,0,0,0|3,0,0]=4 1194 B11R0.182 CCCC(=O)NC(CO)COC 240690a_100000724102_100000211992 [0,1,0,0,0,0|3,0,0]=4 1195 B11R0.182 CCCC(=O)NC(CO)COC 527a_100000724102_100000211992 [0,1,0,0,0,0|3,0,0]=4 1196 B11R0.182 CCCC(=O)N[C@H](CO)CCC 240690a_100000732646_100000211992 [0,1,0,0,0,0|2,0,0]=3 1197 B11R0.182 CCCC(=O)N[C@H](CO)CCC 527a_100000732646_100000211992 [0,1,0,0,0,0|2,0,0]=3 1198 B11R0.182 CCCC(CC(=O)OCC)OC 7a_100011216533_200000210301 [0,1,0,0,0,0|0,0,0]=1 1199 B11R0.182 CCCC(CC(=O)OCC)O[13CH3] 7a_100011216533_200025704644 [0,1,0,0,0,0|0,0,0]=1 1200 B11R0.182 CCCC(CC)NC(=O)NCC 2708a_100000747048_100015525214 [0,1,0,0,0,0|3,0,0]=4 1201 B11R0.182 CCCC(CC)NC(=O)NCC 2708a_100015525214_100000747048 [0,1,0,0,0,0|3,0,0]=4 1202 B11R0.182 CCCC(CC)NC(=O)NCC 273464a_100000747048_100015525214 [0,1,0,0,0,0|3,0,0]=4 1203 B11R0.182 CCCC(CC)NC(=O)NCC 273464a_100015525214_100000747048 [0,1,0,0,0,0|3,0,0]=4 1204 B11R0.182 CCCC(CC)NC(=O)NCC 512a_100000747048_100015525214 [0,1,0,0,0,0|3,0,0]=4 1205 B11R0.182 CCCC(CC)NC(=O)NCC 512a_100015525214_100000747048 [0,1,0,0,0,0|3,0,0]=4 1206 B11R0.182 CCCN(CC)CC(=O)NCC 2230a_100000226822_100000183381 [0,1,0,0,0,0|3,0,0]=4 1207 B11R0.182 CCCN(CC)CC(=O)NCC 269982a_100000226822_100000183381 [0,1,0,0,0,0|3,0,0]=4 1208 B11R0.182 CCCN(CC)CC(=O)OCC 2230a_100000220607_100000210303 [0,1,0,0,0,0|2,0,0]=3 1209 B11R0.182 CCCN(CC)CC(=O)OCC 2230a_100000221057_100000210202 [0,1,0,0,0,0|2,0,0]=3 1210 B11R0.182 CCCN(CC)CC(=O)OCC 2230a_100000226822_100000188475 [0,1,0,0,0,0|2,0,0]=3 1211 B11R0.182 CCCN(CC)CC(=O)OCC 269982a_100000220607_100000210303 [0,1,0,0,0,0|2,0,0]=3 1212 B11R0.182 CCCN(CC)CC(=O)OCC 269982a_100000221057_100000204670 [0,1,0,0,0,0|2,0,0]=3 1213 B11R0.182 CCCN(CC)CC(=O)OCC 269982a_100000226822_100000188475 [0,1,0,0,0,0|2,0,0]=3 1214 B11R0.182 CCCN(CF)CC(=O)OCC 269982a_100000221057_100015361967 [0,1,0,0,0,0|2,0,0]=3 1215 B11R0.182 CCC[C@@H](CO)NC(=O)CCO 240690a_100000732646_100011216618 [0,1,0,0,0,0|3,0,0]=4 1216 B11R0.182 CCC[C@@H](CO)NC(=O)COC 240690a_100000732646_100000210968 [0,1,0,0,0,0|3,0,0]=4 1217 B11R0.182 CCC[C@@H](CO)NC(=O)COC 527a_100000732646_100000210968 [0,1,0,0,0,0|3,0,0]=4 1218 B11R0.182 CCC[C@@H](CO)NC(=O)CSC 240690a_100000732646_100000184570 [0,1,0,0,0,0|3,0,0]=4 1219 B11R0.182 CCC[C@@H](CO)NC(=O)CSC 527a_100000732646_100000184570 [0,1,0,0,0,0|3,0,0]=4 1220 B11R0.182 CCC[C@@H](CO)NC(=O)NCC 2708a_100015525214_100000732646 [0,1,0,0,0,0|2,0,0]=3 1221 B11R0.182 CCC[C@@H](CO)NC(=O)NCC 273464a_100000732646_100015525214 [0,1,0,0,0,0|2,0,0]=3 1222 B11R0.182 CCC[C@@H](CO)NC(=O)NCC 273464a_100015525214_100000732646 [0,1,0,0,0,0|2,0,0]=3 1223 B11R0.182 CCC[C@@H](CO)NC(=O)NCC 512a_100000732646_100015525214 [0,1,0,0,0,0|2,0,0]=3 1224 B11R0.182 CCC[C@@H](CO)NC(=O)NCC 512a_100015525214_100000732646 [0,1,0,0,0,0|2,0,0]=3 1225 B11R0.182 CCC[C@@H](CO)NC(=O)NNC 273464a_100000732646_100016993582 [0,1,0,0,0,0|3,0,0]=4 1226 B11R0.182 CCC[C@@H](CO)NC(=O)NNC 512a_100000732646_100016993582 [0,1,0,0,0,0|3,0,0]=4 1227 B11R0.182 CCC[C@@H](CO)NC(=O)NNC 512a_100016993582_100000732646 [0,1,0,0,0,0|3,0,0]=4 1228 B11R0.182 CCNC(=O)NC(CO)COC 2708a_100015525214_100000724102 [0,1,0,0,0,0|3,0,0]=4 1229 B11R0.182 CCNC(=O)NC(CO)COC 273464a_100000724102_100015525214 [0,1,0,0,0,0|3,0,0]=4 1230 B11R0.182 CCNC(=O)NC(CO)COC 273464a_100015525214_100000724102 [0,1,0,0,0,0|3,0,0]=4 1231 B11R0.182 CCNC(=O)NC(CO)COC 512a_100015525214_100000724102 [0,1,0,0,0,0|3,0,0]=4 1232 B11R0.182 CCOC(=O)CN(CC)CCF 2230a_100000220607_100011217306 [0,1,0,0,0,0|3,0,0]=4 1233 B11R0.182 CCOC(=O)CN(CC)CCF 269982a_100000220607_100011217306 [0,1,0,0,0,0|3,0,0]=4 1234 B11R0.182 CCOC(=O)CN(CC)CCO 2230a_100000210973_100000188475 [0,1,0,0,0,0|3,0,0]=4 1235 B11R0.182 CCOC(=O)CN(CC)CCO 2230a_100000220607_100000211926 [0,1,0,0,0,0|3,0,0]=4 1236 B11R0.182 CCOC(=O)CN(CC)CCO 269982a_100000210973_100000188475 [0,1,0,0,0,0|3,0,0]=4 1237 B11R0.182 CCOC(=O)CN(CC)CCO 269982a_100000220607_100000211926 [0,1,0,0,0,0|3,0,0]=4 1238 B11R0.182 CCOC(=O)CN(CC)COC 2230a_100000220607_100000766300 [0,1,0,0,0,0|3,0,0]=4 1239 B11R0.182 CCOC(=O)CN(CC)COC 269982a_100000220607_100000766300 [0,1,0,0,0,0|3,0,0]=4 1240 B11R0.182 CCOC(=O)CN(CC)CSC 2230a_100000220607_100011218213 [0,1,0,0,0,0|3,0,0]=4 1241 B11R0.182 CCOC(=O)CN(CC)CSC 269982a_100000220607_100011218213 [0,1,0,0,0,0|3,0,0]=4 1242 B11R0.182 CCOC(=O)C[C@@H](CCl)OCC 7a_100000688340_100000210202 [0,1,0,0,0,0|2,0,0]=3 1243 B11R0.182 CCOC(=O)C[C@@H](CCl)OCF 7a_100000688340_100015361967 [0,1,0,0,0,0|3,0,0]=4 1244 B11R0.187 C/C=C(\C)/C(=O)CC(C)CCC 1458a_100020587367_100011216630 [0,1,0,0,0,0|2,0,1]=4 1245 B11R0.187 C=C(CCC)CC(=O)C(C)CC 1458a_100000138376_100000758301 [0,1,0,0,0,0|2,0,1]=4 1246 B11R0.187 C=C(CCC)CC(=O)N(C)CC 11a_100000225621_100000138376 [0,1,0,0,0,0|2,0,1]=4 1247 B11R0.187 C=C(CCC)CC(=O)N(C)CC 240690a_100000225621_100000138376 [0,1,0,0,0,0|2,0,1]=4 1248 B11R0.187 C=C(CCC)CC(=O)N(C)CC 527a_100000225621_100000138376 [0,1,0,0,0,0|2,0,1]=4 1249 B11R0.187 CCCC(=O)CC(=O)C(C)CC 1458a_100011192722_100000747444 [0,1,0,0,0,0|1,0,2]=4 1250 B11R0.187 CCCC(=O)CC(=O)C(O)CC 1458a_100011196387_100000747444 [0,1,0,0,0,0|1,0,2]=4 1251 B11R0.187 CCCC(=O)CC(=O)N(C)CC 1458a_100000211992_100011894763 [0,1,0,0,0,0|1,0,2]=4 1252 B11R0.187 CCCC(=O)CC(C)N(C)CC 1458a_200015187196_100000210303 [0,1,0,0,0,0|3,0,0]=4 1253 B11R0.187 CCCC(=O)CN(C)C(C)CC 2230a_100000741768_100000747444 [0,1,0,0,0,0|3,0,0]=4 1254 B11R0.187 CCCC(=O)CN(C)C(C)CC 269982a_100000741768_100000747444 [0,1,0,0,0,0|3,0,0]=4 1255 B11R0.187 CCCC(C)CC(=O)C(=O)NC 1458a_100011218921_100011216630 [0,1,0,0,0,0|3,0,0]=4 1256 B11R0.187 CCCC(C)CC(=O)C(C)CC 1458a_100000748435_100000758301 [0,1,0,0,0,0|2,0,0]=3 1257 B11R0.187 CCCC(C)CC(=O)C(C)CC 1458a_100011192722_100011216630 [0,1,0,0,0,0|2,0,0]=3 1258 B11R0.187 CCCC(C)CC(=O)C(C)OC 1458a_100000743197_100011216630 [0,1,0,0,0,0|3,0,0]=4 1259 B11R0.187 CCCC(C)CC(=O)C(C)SC 1458a_100000149566_100011216630 [0,1,0,0,0,0|3,0,0]=4 1260 B11R0.187 CCCC(C)CC(=O)C(O)CC 1458a_100011196387_100011216630 [0,1,0,0,0,0|2,0,0]=3 1261 B11R0.187 CCCC(C)CC(=O)C(O)CO 1458a_100011215603_100011216630 [0,1,0,0,0,0|3,0,0]=4 1262 B11R0.187 CCCC(C)CC(=O)N(C)CC 11a_100000225621_100000748435 [0,1,0,0,0,0|2,0,0]=3 1263 B11R0.187 CCCC(C)CC(=O)N(C)CC 1626a_100000225621_100000748435 [0,1,0,0,0,0|2,0,0]=3 1264 B11R0.187 CCCC(C)CC(=O)N(C)CC 240690a_100000225621_100000748435 [0,1,0,0,0,0|2,0,0]=3 1265 B11R0.187 CCCC(C)CC(=O)N(C)CC 527a_100000225621_100000748435 [0,1,0,0,0,0|2,0,0]=3 1266 B11R0.187 CCCC(C)NC(=O)C(C)CC 11a_100000741246_100011192722 [0,1,0,0,0,0|3,0,0]=4 1267 B11R0.187 CCCC(C)NC(=O)C(C)CC 1626a_100000741246_100011192722 [0,1,0,0,0,0|3,0,0]=4 1268 B11R0.187 CCCC(C)NC(=O)C(C)CC 240690a_100000741246_100011192722 [0,1,0,0,0,0|3,0,0]=4 1269 B11R0.187 CCCC(C)NC(=O)C(C)CC 527a_100000741246_100011192722 [0,1,0,0,0,0|3,0,0]=4 1270 B11R0.187 CCCC(C)NC(=O)C(O)CC 240690a_100000741246_100011196387 [0,1,0,0,0,0|3,0,0]=4 1271 B11R0.187 CCCC(C)NC(=O)N(C)CC 2708a_100000741246_100000225621 [0,1,0,0,0,0|3,0,0]=4 1272 B11R0.187 CCCC(C)NC(=O)N(C)CC 273464a_100000741246_100000225621 [0,1,0,0,0,0|3,0,0]=4 1273 B11R0.187 CCCN(C)CC(=O)N(C)CC 2230a_100000747261_100000738999 [0,1,0,0,0,0|3,0,0]=4 1274 B11R0.187 CCCN(C)CC(=O)N(C)CC 269982a_100000747261_100000738999 [0,1,0,0,0,0|3,0,0]=4 1275 B11R0.187 CCCS(=O)CC(=O)C(C)CC 1458a_100011387404_100000758301 [0,1,0,0,0,0|2,0,1]=4 1276 B11R0.187 CCCS(=O)CC(=O)N(C)CC 11a_100000225621_100011387404 [0,1,0,0,0,0|2,0,1]=4 1277 B11R0.187 CCCS(=O)CC(=O)N(C)CC 1626a_100000225621_100011387404 [0,1,0,0,0,0|2,0,1]=4 1278 B11R0.187 CCCS(=O)CC(=O)N(C)CC 240690a_100000225621_100011387404 [0,1,0,0,0,0|2,0,1]=4 1279 B11R0.187 CCCS(=O)CC(=O)N(C)CC 527a_100000225621_100011387404 [0,1,0,0,0,0|2,0,1]=4 1280 B11R0.187 CCNC(=O)CC(=O)C(C)CC 1458a_100011192722_100000183381 [0,1,0,0,0,0|1,0,2]=4 1281 B11R0.187 CCNC(=O)CC(=O)C(O)CC 1458a_100011196387_100000183381 [0,1,0,0,0,0|1,0,2]=4 1282 B11R0.187 CCNC(=O)CC(C)N(C)CC 240690a_100015525214_200015187196 [0,1,0,0,0,0|3,0,0]=4 1283 B11R0.187 CCNC(=O)CC(C)N(C)CC 527a_100015525214_200015187196 [0,1,0,0,0,0|3,0,0]=4 1284 B11R0.187 CCNC(=O)CN(C)C(C)CC 2230a_100000741768_100000183381 [0,1,0,0,0,0|3,0,0]=4 1285 B11R0.187 CCNC(=O)CN(C)C(C)CC 2230a_100000741943_100000758301 [0,1,0,0,0,0|3,0,0]=4 1286 B11R0.187 CCNC(=O)CN(C)C(C)CC 269982a_100000741768_100000183381 [0,1,0,0,0,0|3,0,0]=4 1287 B11R0.187 CCNC(=O)CN(C)C(C)CC 269982a_100000741943_100000758301 [0,1,0,0,0,0|3,0,0]=4 1288 B11R0.187 CCOC(=O)CC(=O)C(C)CC 1458a_100000243816_100000758301 [0,1,0,0,0,0|0,0,2]=3 1289 B11R0.187 CCOC(=O)CC(=O)C(C)CC 1458a_100011192722_100000188475 [0,1,0,0,0,0|0,0,2]=3 1290 B11R0.187 CCOC(=O)CC(=O)C(C)OC 1458a_100000743197_100000188475 [0,1,0,0,0,0|1,0,2]=4 1291 B11R0.187 CCOC(=O)CC(=O)C(C)SC 1458a_100000149566_100000188475 [0,1,0,0,0,0|1,0,2]=4 1292 B11R0.187 CCOC(=O)CC(=O)C(C)SC 62a_100010090504_200000210301 [0,1,0,0,0,0|1,0,2]=4 1293 B11R0.187 CCOC(=O)CC(=O)C(C)SC 62a_200000210301_100010090504 [0,1,0,0,0,0|1,0,2]=4 1294 B11R0.187 CCOC(=O)CC(=O)C(C)S[13CH3] 62a_100010090504_200025704644 [0,1,0,0,0,0|1,0,2]=4 1295 B11R0.187 CCOC(=O)CC(=O)C(C)S[13CH3] 62a_200025704644_100010090504 [0,1,0,0,0,0|1,0,2]=4 1296 B11R0.187 CCOC(=O)CC(=O)C(O)CC 1458a_100011196387_100000188475 [0,1,0,0,0,0|0,0,2]=3 1297 B11R0.187 CCOC(=O)CC(=O)C(O)CO 1458a_100011215603_100000188475 [0,1,0,0,0,0|1,0,2]=4 1298 B11R0.187 CCOC(=O)CC(=O)N(C)CC 240690a_100000225621_100000243816 [0,1,0,0,0,0|1,0,2]=4 1299 B11R0.187 CCOC(=O)CC(C)C(=O)CC 1458a_100000210414_100009817359 [0,1,0,0,0,0|1,0,1]=3 1300 B11R0.187 CCOC(=O)CC(C)C(=O)CO 1458a_100000210174_100009817359 [0,1,0,0,0,0|2,0,1]=4 1301 B11R0.187 CCOC(=O)CC(C)N(C)CC 2230a_100000225621_100009817359 [0,1,0,0,0,0|2,0,0]=3 1302 B11R0.187 CCOC(=O)CC(C)N(C)CC 269982a_100000225621_100009817359 [0,1,0,0,0,0|2,0,0]=3 1303 B11R0.187 CCOC(=O)CN(C)C(=O)CC 11a_100000220588_100000210414 [0,1,0,0,0,0|2,0,1]=4 1304 B11R0.187 CCOC(=O)CN(C)C(=O)CC 1626a_100000220588_100000210414 [0,1,0,0,0,0|2,0,1]=4 1305 B11R0.187 CCOC(=O)CN(C)C(=O)CC 240690a_100000220588_100000210414 [0,1,0,0,0,0|2,0,1]=4 1306 B11R0.187 CCOC(=O)CN(C)C(=O)CC 527a_100000220588_100000210414 [0,1,0,0,0,0|2,0,1]=4 1307 B11R0.187 CCOC(=O)CN(C)C(C)CC 2230a_100000220588_100000758301 [0,1,0,0,0,0|2,0,0]=3 1308 B11R0.187 CCOC(=O)CN(C)C(C)CC 2230a_100000741768_100000188475 [0,1,0,0,0,0|2,0,0]=3 1309 B11R0.187 CCOC(=O)CN(C)C(C)CC 269982a_100000741768_100000188475 [0,1,0,0,0,0|2,0,0]=3 1310 B11R0.187 CCOC(=O)CN(C)C(C)CO 2230a_100000220588_100012180447 [0,1,0,0,0,0|3,0,0]=4 1311 B11R0.187 CCOC(=O)CN(C)C(C)CO 2230a_100000693034_100000188475 [0,1,0,0,0,0|3,0,0]=4 1312 B11R0.187 CCOC(=O)CN(C)C(C)CO 269982a_100000693034_100000188475 [0,1,0,0,0,0|3,0,0]=4 1313 B11R0.187 CCOC(=O)OC(C)N(C)CC 269982a_100000225621_100000036008 [0,1,0,0,0,0|3,0,0]=4 1314 B11R0.187 CCSC(C)CC(=O)C(C)CC 1458a_200011311441_100000758301 [0,1,0,0,0,0|3,0,0]=4 1315 B11R0.187 CCSC(C)CC(=O)N(C)CC 11a_100000225621_200011311441 [0,1,0,0,0,0|3,0,0]=4 1316 B11R0.187 CCSC(C)CC(=O)N(C)CC 1626a_100000225621_200011311441 [0,1,0,0,0,0|3,0,0]=4 1317 B11R0.187 CCSC(C)CC(=O)N(C)CC 240690a_100000225621_200011311441 [0,1,0,0,0,0|3,0,0]=4 1318 B11R0.187 CCSC(C)CC(=O)N(C)CC 527a_100000225621_200011311441 [0,1,0,0,0,0|3,0,0]=4 1319 B11R0.353 C#CCC(=O)CC(C)(O)CCC 1458a_100011667670_100000184674 [0,1,0,0,0,0|1,0,2]=4 1320 B11R0.353 C=CCC(=O)CC(C)(O)CCC 1458a_100011667670_100000210623 [0,1,0,0,0,0|1,0,2]=4 1321 B11R0.353 CCCC(=O)CC(C)(O)CCC 1458a_100011667670_100000210303 [0,1,0,0,0,0|1,0,0]=2 1322 B11R0.353 CCCC(C)(O)CC(=O)CC#N 1458a_100011667670_100011214920 [0,1,0,0,0,0|2,0,1]=4 1323 B11R0.353 CCCC(C)(O)CC(=O)CCF 1458a_100011667670_100011217306 [0,1,0,0,0,0|2,0,0]=3 1324 B11R0.353 CCCC(C)(O)CC(=O)CCO 1458a_100011667670_100000211926 [0,1,0,0,0,0|2,0,0]=3 1325 B11R0.353 CCCC(C)(O)CC(=O)NCC 240690a_100015525214_100011667670 [0,1,0,0,0,0|1,0,0]=2 1326 B11R0.353 CCCC(C)(O)CC(=O)NCC 527a_100015525214_100011667670 [0,1,0,0,0,0|1,0,0]=2 1327 B11R0.353 CCCC(C)(O)CC(=O)NNC 22a_100016993582_100011667670 [0,1,0,0,0,0|2,0,0]=3 1328 B11R0.353 CCNS(=O)(=O)CC(=O)OCC 270084a_100015525214_100000738689 [0,1,0,0,0,0|2,0,1]=4 1329 B11R0.353 CCNS(=O)(=O)CC(=O)OCC 274078a_100015525214_100000738689 [0,1,0,0,0,0|2,0,1]=4 1330 B11R0.353 CCOC(=O)CC(C)(C)OCC 7a_100000765344_100000210202 [0,1,0,0,0,0|2,0,0]=3 1331 B11R0.353 CCOC(=O)CC(C)(C)OCF 7a_100000765344_100015361967 [0,1,0,0,0,0|3,0,0]=4 1332 B11R1.30 C#CCC(=O)CC1CCCO1 1458a_100011220946_100000203698 [0,0,0,1,0,0|1,0,2]=4 1333 B11R1.30 C=CCC(=O)CC1CCCO1 1458a_100000210193_100000203698 [0,0,0,1,0,0|1,0,2]=4 1334 B11R1.30 CC#CC(=O)CC1CCCC1 1458a_100000763181_100000740388 [0,0,0,1,0,0|2,0,1]=4 1335 B11R1.30 CC#CC(=O)CC1CCCO1 1458a_100000763181_100000203698 [0,0,0,1,0,0|1,0,1]=3 1336 B11R1.30 CC#CC(=O)CC1OCCO1 1458a_100000763181_100000755774 [0,0,0,1,0,0|2,0,1]=4 1337 B11R1.30 CC=CC(=O)CC1CCCC1 1458a_100000210699_100000740388 [0,0,0,1,0,0|2,0,1]=4 1338 B11R1.30 CC=CC(=O)CC1CCCO1 1458a_100000210699_100000203698 [0,0,0,1,0,0|1,0,1]=3 1339 B11R1.30 CC=CC(=O)CC1OCCO1 1458a_100000210699_100000755774 [0,0,0,1,0,0|2,0,1]=4 1340 B11R1.30 CCCC(=O)CC1=CCCC1 1458a_100000050221_100000210303 [0,0,0,1,0,0|2,0,1]=4 1341 B11R1.30 CCCC(=O)CC1C=CCC1 1458a_100000212241_100000210303 [0,0,0,1,0,0|2,0,1]=4 1342 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000210891_100000210303 [0,0,0,1,0,0|2,0,0]=3 1343 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000211992_100000740388 [0,0,0,1,0,0|2,0,0]=3 1344 B11R1.30 CCCC(=O)CC1CCCO1 1458a_100000211992_100000203698 [0,0,0,1,0,0|1,0,0]=2 1345 B11R1.30 CCCC(=O)CC1CCOC1 1458a_100000211992_100000702531 [0,0,0,1,0,0|3,0,0]=4 1346 B11R1.30 CCCC(=O)CC1CCOC1 1458a_100011218419_100000210303 [0,0,0,1,0,0|3,0,0]=4 1347 B11R1.30 CCCC(=O)CC1OCCO1 1458a_100000211992_100000755774 [0,0,0,1,0,0|2,0,0]=3 1348 B11R1.30 CCCC(=O)CN1CCCC1 1458a_100000740243_100000210303 [0,0,0,1,0,0|3,0,0]=4 1349 B11R1.30 CCCC(=O)CN1CCCC1 2230a_100000188435_100000747444 [0,0,0,1,0,0|3,0,0]=4 1350 B11R1.30 CCCC(=O)CN1CCCC1 269982a_100000188435_100000747444 [0,0,0,1,0,0|3,0,0]=4 1351 B11R1.30 CCCC(=O)NC1CCCC1 11a_100000211070_100000211992 [0,0,0,1,0,0|3,0,0]=4 1352 B11R1.30 CCCC(=O)NC1CCCC1 1626a_100000211070_100000211992 [0,0,0,1,0,0|3,0,0]=4 1353 B11R1.30 CCCC(=O)NC1CCCC1 240690a_100000211070_100000211992 [0,0,0,1,0,0|3,0,0]=4 1354 B11R1.30 CCCC(=O)NC1CCCC1 527a_100000211070_100000211992 [0,0,0,1,0,0|3,0,0]=4 1355 B11R1.30 CCCN(C)CC1CCCO1 2230a_100000226859_200000210301 [0,0,0,1,0,0|3,0,0]=4 1356 B11R1.30 CCCN(C)CC1CCCO1 2230a_100000747261_100000203698 [0,0,0,1,0,0|3,0,0]=4 1357 B11R1.30 CCCN(C)CC1CCCO1 2230a_100102946541_100000210303 [0,0,0,1,0,0|3,0,0]=4 1358 B11R1.30 CCCN(C)CC1CCCO1 269982a_100000226859_200000210301 [0,0,0,1,0,0|3,0,0]=4 1359 B11R1.30 CCCN(C)CC1CCCO1 269982a_100000747261_100000183445 [0,0,0,1,0,0|3,0,0]=4 1360 B11R1.30 CCCN(C)CC1CCCO1 269982a_100102946541_100000210303 [0,0,0,1,0,0|3,0,0]=4 1361 B11R1.30 CCCN(C)CC1CCCO1 34a_100000226859_200000210301 [0,0,0,1,0,0|3,0,0]=4 1362 B11R1.30 CCCN(C)CC1CCCO1 34a_100102946541_100000210303 [0,0,0,1,0,0|3,0,0]=4 1363 B11R1.30 CCCN([13CH3])CC1CCCO1 2230a_100000226859_200025704644 [0,0,0,1,0,0|3,0,0]=4 1364 B11R1.30 CCCN([13CH3])CC1CCCO1 269982a_100000226859_200025704644 [0,0,0,1,0,0|3,0,0]=4 1365 B11R1.30 CCCN([13CH3])CC1CCCO1 34a_100000226859_200025704644 [0,0,0,1,0,0|3,0,0]=4 1366 B11R1.30 CCNC(=O)CC1=CCCC1 11a_100015525214_100000050221 [0,0,0,1,0,0|2,0,1]=4 1367 B11R1.30 CCNC(=O)CC1=CCCC1 240690a_100015525214_100000050221 [0,0,0,1,0,0|2,0,1]=4 1368 B11R1.30 CCNC(=O)CC1=CCCC1 527a_100015525214_100000050221 [0,0,0,1,0,0|2,0,1]=4 1369 B11R1.30 CCNC(=O)CC1C=CCC1 11a_100015525214_100000212241 [0,0,0,1,0,0|2,0,1]=4 1370 B11R1.30 CCNC(=O)CC1C=CCC1 240690a_100015525214_100000212241 [0,0,0,1,0,0|2,0,1]=4 1371 B11R1.30 CCNC(=O)CC1C=CCC1 527a_100015525214_100000212241 [0,0,0,1,0,0|2,0,1]=4 1372 B11R1.30 CCNC(=O)CC1CCCC1 11a_100015525214_100000210891 [0,0,0,1,0,0|2,0,0]=3 1373 B11R1.30 CCNC(=O)CC1CCCC1 240690a_100015525214_100000210891 [0,0,0,1,0,0|2,0,0]=3 1374 B11R1.30 CCNC(=O)CC1CCCC1 527a_100015525214_100000210891 [0,0,0,1,0,0|2,0,0]=3 1375 B11R1.30 CCNC(=O)CC1CCOC1 11a_100015525214_100011218419 [0,0,0,1,0,0|3,0,0]=4 1376 B11R1.30 CCNC(=O)CC1CCOC1 240690a_100015525214_100011218419 [0,0,0,1,0,0|3,0,0]=4 1377 B11R1.30 CCNC(=O)CC1CCOC1 527a_100015525214_100011218419 [0,0,0,1,0,0|3,0,0]=4 1378 B11R1.30 CCNC(=O)CN1CCCC1 2230a_100000188435_100000183381 [0,0,0,1,0,0|3,0,0]=4 1379 B11R1.30 CCNC(=O)CN1CCCC1 240690a_100015525214_100000740243 [0,0,0,1,0,0|3,0,0]=4 1380 B11R1.30 CCNC(=O)CN1CCCC1 269982a_100000188435_100000183381 [0,0,0,1,0,0|3,0,0]=4 1381 B11R1.30 CCNC(=O)CN1CCCC1 527a_100015525214_100000740243 [0,0,0,1,0,0|3,0,0]=4 1382 B11R1.30 CCNC(=O)NC1CCCC1 2708a_100000211070_100015525214 [0,0,0,1,0,0|3,0,0]=4 1383 B11R1.30 CCNC(=O)NC1CCCC1 2708a_100015525214_100000211070 [0,0,0,1,0,0|3,0,0]=4 1384 B11R1.30 CCNC(=O)NC1CCCC1 273464a_100000211070_100015525214 [0,0,0,1,0,0|3,0,0]=4 1385 B11R1.30 CCNC(=O)NC1CCCC1 273464a_100015525214_100000211070 [0,0,0,1,0,0|3,0,0]=4 1386 B11R1.30 CCNC(=O)NC1CCCC1 512a_100000211070_100015525214 [0,0,0,1,0,0|3,0,0]=4 1387 B11R1.30 CCNC(=O)NC1CCCC1 512a_100015525214_100000211070 [0,0,0,1,0,0|3,0,0]=4 1388 B11R1.30 CCOC(=O)CN1CCCC1 2230a_100000188435_100000188475 [0,0,0,1,0,0|2,0,0]=3 1389 B11R1.30 CCOC(=O)CN1CCCC1 269982a_100000188435_100000188475 [0,0,0,1,0,0|2,0,0]=3 1390 B11R1.30 CCOC(=O)CN1CCSC1 2230a_100011215254_100000188475 [0,0,0,1,0,0|3,0,0]=4 1391 B11R1.30 CCOC(=O)CN1CCSC1 269982a_100011215254_100000188475 [0,0,0,1,0,0|3,0,0]=4 1392 B11R1.30 CNNC(=O)CC1CCCC1 22a_100016993582_100000210891 [0,0,0,1,0,0|3,0,0]=4 1393 B11R1.30 COCC(=O)CC1CCCC1 1458a_100000210968_100000740388 [0,0,0,1,0,0|3,0,0]=4 1394 B11R1.30 COCC(=O)CC1CCCO1 1458a_100000210968_100000203698 [0,0,0,1,0,0|2,0,0]=3 1395 B11R1.30 COCC(=O)CC1OCCO1 1458a_100000210968_100000755774 [0,0,0,1,0,0|3,0,0]=4 1396 B11R1.30 CSCC(=O)CC1CCCC1 1458a_100000184570_100000740388 [0,0,0,1,0,0|3,0,0]=4 1397 B11R1.30 CSCC(=O)CC1CCCO1 1458a_100000184570_100000203698 [0,0,0,1,0,0|2,0,0]=3 1398 B11R1.30 CSCC(=O)CC1OCCO1 1458a_100000184570_100000755774 [0,0,0,1,0,0|3,0,0]=4 1399 B11R1.30 N#CCC(=O)CC1CCCO1 1458a_100051588842_100000203698 [0,0,0,1,0,0|2,0,1]=4 1400 B11R1.30 O=C(C=CBr)CC1CCCO1 1458a_100016273825_100000203698 [0,0,0,1,0,0|2,0,1]=4 1401 B11R1.30 O=C(C=CCl)CC1CCCO1 1458a_200016279998_100000203698 [0,0,0,1,0,0|2,0,1]=4 1402 B11R1.30 O=C(C=CI)CC1CCCO1 1458a_100016256311_100000203698 [0,0,0,1,0,0|2,0,1]=4 1403 B11R1.30 O=C(CCF)CC1CCCC1 1458a_100000210891_100011217306 [0,0,0,1,0,0|3,0,0]=4 1404 B11R1.30 O=C(CCO)CC1CCCC1 1458a_100000210891_100000211926 [0,0,0,1,0,0|3,0,0]=4 1405 B11R1.30 O=C(CCO)CC1CCCC1 1458a_100011216618_100000740388 [0,0,0,1,0,0|3,0,0]=4 1406 B11R1.30 O=C(CCO)CC1CCCO1 1458a_100011216618_100000203698 [0,0,0,1,0,0|2,0,0]=3 1407 B11R1.30 O=C(CCO)CC1OCCO1 1458a_100011216618_100000755774 [0,0,0,1,0,0|3,0,0]=4 1408 B11R1.110 CCCN1CCCCC(C1)O 2230a_100025706797_100000210303 [0,0,0,1,0,0|3,0,0]=4 1409 B11R1.110 CCCN1CCCCC(C1)O 269982a_100025706797_100000210303 [0,0,0,1,0,0|3,0,0]=4 1410 B11R1.110 CCCN1CCCNC(=O)C1 2230a_100015190381_100000210303 [0,0,0,1,0,0|3,0,0]=4 1411 B11R1.187 CCN1CC(CC1=O)CNC 2230a_100011935115_200000210301 [0,0,0,1,0,0|3,0,0]=4 1412 B11R1.187 CCN1CC(CC1=O)CNC 34a_100011935115_200000210301 [0,0,0,1,0,0|3,0,0]=4 1413 B11R1.187 CCN1CC(CC1=O)CN[13CH3] 2230a_100011935115_200025704644 [0,0,0,1,0,0|3,0,0]=4 1414 B11R1.187 CCN1CC(CC1=O)CN[13CH3] 34a_100011935115_200025704644 [0,0,0,1,0,0|3,0,0]=4 1415 B11R1.187 CCN1CC(CC1=O)COC 34a_100000758270_200000210301 [0,0,0,1,0,0|3,0,0]=4 1416 B11R1.187 CCN1CC(CC1=O)COC 7a_100000758270_200000210301 [0,0,0,1,0,0|3,0,0]=4 1417 B11R1.187 CCN1CC(CC1=O)CO[13CH3] 34a_100000758270_200025704644 [0,0,0,1,0,0|3,0,0]=4 1418 B11R1.187 CCN1CC(CC1=O)CO[13CH3] 7a_100000758270_200025704644 [0,0,0,1,0,0|3,0,0]=4 1419 B11R1.187 CCNC1CC(=O)N(C1)CC 2230a_100015184948_100000210202 [0,0,0,1,0,0|3,0,0]=4 1420 B11R1.187 CCNC1CC(=O)N(C1)CC 34a_100015184948_100000210202 [0,0,0,1,0,0|3,0,0]=4 1421 B11R1.199 CC1CCCC1C(=O)CCF 1458a_100000690547_100011217306 [0,0,0,1,0,0|3,0,0]=4 1422 B11R1.199 CC1CCCC1C(=O)CCO 1458a_100000690547_100000211926 [0,0,0,1,0,0|3,0,0]=4 1423 B11R1.199 CCCC(=O)C1CCCC1=O 1458a_100000211992_100000211823 [0,0,0,1,0,0|1,0,2]=4 1424 B11R1.199 CCCC(=O)C1CCCC1C 1458a_100000690547_100000210303 [0,0,0,1,0,0|2,0,0]=3 1425 B11R1.199 CCCC(=O)C1CCOC1=O 1458a_100000211992_100000211211 [0,0,0,1,0,0|0,0,2]=3 1426 B11R1.199 CCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000211992 [0,0,0,1,0,0|3,0,0]=4 1427 B11R1.199 CCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000211992 [0,0,0,1,0,0|3,0,0]=4 1428 B11R1.199 CCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000211992 [0,0,0,1,0,0|3,0,0]=4 1429 B11R1.199 CCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000211992 [0,0,0,1,0,0|3,0,0]=4 1430 B11R1.199 CCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000211992 [0,0,0,1,0,0|3,0,0]=4 1431 B11R1.199 CCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210303 [0,0,0,1,0,0|3,0,0]=4 1432 B11R1.199 CCCN(C)C1CCCC1=O 2230a_100000747261_100000211823 [0,0,0,1,0,0|3,0,0]=4 1433 B11R1.199 CCCN(C)C1CCCC1=O 269982a_100000747261_100000211823 [0,0,0,1,0,0|3,0,0]=4 1434 B11R1.199 CCCN(C)C1CCOC1=O 2230a_100000747261_100000211211 [0,0,0,1,0,0|2,0,0]=3 1435 B11R1.199 CCCN(C)C1CCOC1=O 269982a_100000747261_100000211211 [0,0,0,1,0,0|2,0,0]=3 1436 B11R1.199 CCCN(C)[C@@H]1CCC[C@H]1O 269982a_100000747261_200016002552 [0,0,0,1,0,0|3,0,0]=4 1437 B11R1.199 CCNC(=O)C1CCCC1C 11a_100015525214_100000690547 [0,0,0,1,0,0|2,0,0]=3 1438 B11R1.199 CCNC(=O)C1CCCC1C 240690a_100015525214_100000690547 [0,0,0,1,0,0|2,0,0]=3 1439 B11R1.199 CCNC(=O)C1CCCC1C 527a_100015525214_100000690547 [0,0,0,1,0,0|2,0,0]=3 1440 B11R1.199 CCNC(=O)N1CCC[C@@H]1C 2708a_100015525214_100020605311 [0,0,0,1,0,0|3,0,0]=4 1441 B11R1.199 CCNC(=O)N1CCC[C@@H]1C 273464a_100015525214_100020605311 [0,0,0,1,0,0|3,0,0]=4 1442 B11R1.199 CCNC(=O)N1CCC[C@H]1C 2708a_100015525214_100015189458 [0,0,0,1,0,0|3,0,0]=4 1443 B11R1.199 CCNC(=O)N1CCC[C@H]1C 273464a_100015525214_100015189458 [0,0,0,1,0,0|3,0,0]=4 1444 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 11a_100015525214_100009816429 [0,0,0,1,0,0|3,0,0]=4 1445 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 2230a_100020641767_200000210301 [0,0,0,1,0,0|3,0,0]=4 1446 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 240690a_100015525214_100009816429 [0,0,0,1,0,0|3,0,0]=4 1447 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 269982a_100020641767_200000210301 [0,0,0,1,0,0|3,0,0]=4 1448 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 34a_100020641767_200000210301 [0,0,0,1,0,0|3,0,0]=4 1449 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 527a_100015525214_100009816429 [0,0,0,1,0,0|3,0,0]=4 1450 B11R1.199 CCNC(=O)[C@@H]1CCCN1[13CH3] 2230a_100020641767_200025704644 [0,0,0,1,0,0|3,0,0]=4 1451 B11R1.199 CCNC(=O)[C@@H]1CCCN1[13CH3] 269982a_100020641767_200025704644 [0,0,0,1,0,0|3,0,0]=4 1452 B11R1.199 CCNC(=O)[C@@H]1CCCN1[13CH3] 34a_100020641767_200025704644 [0,0,0,1,0,0|3,0,0]=4 1453 B11R1.199 CCOC(=O)[C@@H]1CCCN1C 2230a_100000703725_200000210301 [0,0,0,1,0,0|2,0,0]=3 1454 B11R1.199 CCOC(=O)[C@@H]1CCCN1C 269982a_100000703725_200000210301 [0,0,0,1,0,0|2,0,0]=3 1455 B11R1.199 CCOC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000703725_200025704644 [0,0,0,1,0,0|2,0,0]=3 1456 B11R1.199 CCOC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000703725_200025704644 [0,0,0,1,0,0|2,0,0]=3 1457 B11R1.199 CCOC(=O)[C@@H]1CSCN1C 269982a_100016989239_200000210301 [0,0,0,1,0,0|3,0,0]=4 1458 B11R1.199 CCOC(=O)[C@@H]1CSCN1[13CH3] 269982a_100016989239_200025704644 [0,0,0,1,0,0|3,0,0]=4 1459 B11R1.199 CN(CCO)C1CCOC1=O 2230a_100000210263_100000211211 [0,0,0,1,0,0|3,0,0]=4 1460 B11R1.199 CN(CCO)C1CCOC1=O 269982a_100000210263_100000211211 [0,0,0,1,0,0|3,0,0]=4 1461 B11R1.199 CNNC(=O)C1CCCC1C 22a_100016993582_100000690547 [0,0,0,1,0,0|3,0,0]=4 1462 B11R1.199 COCC(=O)C1CCOC1=O 1458a_100000210968_100000211211 [0,0,0,1,0,0|1,0,2]=4 1463 B11R1.199 CSCC(=O)C1CCOC1=O 1458a_100000184570_100000211211 [0,0,0,1,0,0|1,0,2]=4 1464 B11R1.199 O=C(CCO)C1CCOC1=O 1458a_100011216618_100000211211 [0,0,0,1,0,0|1,0,2]=4 1465 B11R1.201 CCCC(=O)CN1CC(C1)C 2230a_100000702820_100000747444 [0,0,0,1,0,0|3,0,0]=4 1466 B11R1.201 CCCC(=O)CN1CC(C1)C 269982a_100000702820_100000747444 [0,0,0,1,0,0|3,0,0]=4 1467 B11R1.201 CCNC(=O)CN1CC(C1)C 2230a_100000702820_100000183381 [0,0,0,1,0,0|3,0,0]=4 1468 B11R1.201 CCNC(=O)CN1CC(C1)C 269982a_100000702820_100000183381 [0,0,0,1,0,0|3,0,0]=4 1469 B11R1.201 CCNC(=O)CN1CC(C1)C 34a_100000702820_100000183381 [0,0,0,1,0,0|3,0,0]=4 1470 B11R1.201 CCOC(=O)CN1CC(C1)C 2230a_100000702820_100000188475 [0,0,0,1,0,0|2,0,0]=3 1471 B11R1.201 CCOC(=O)CN1CC(C1)C 269982a_100000702820_100000188475 [0,0,0,1,0,0|2,0,0]=3 1472 B11R1.201 CCOC(=O)CN1CC(C1)C 34a_100000702820_100000188475 [0,0,0,1,0,0|2,0,0]=3 1473 B11R1.201 CCOC(=O)CN1CC(C1)F 2230a_100000690557_100000188475 [0,0,0,1,0,0|3,0,0]=4 1474 B11R1.201 CCOC(=O)CN1CC(C1)F 269982a_100000690557_100000188475 [0,0,0,1,0,0|3,0,0]=4 1475 B11R1.201 CCOC(=O)CN1CC(C1)F 34a_100000690557_100000188475 [0,0,0,1,0,0|3,0,0]=4 1476 B11R1.201 CCOC(=O)CN1CC(C1)O 269982a_100000749847_100000188475 [0,0,0,1,0,0|3,0,0]=4 1477 B11R1.334 CCCC(=O)CC(=O)C1CC1 1458a_100000210395_100000747444 [0,0,0,1,0,0|1,0,2]=4 1478 B11R1.334 CCCC(=O)CC(=O)C1CC1 1458a_100000211992_100000746382 [0,0,0,1,0,0|1,0,2]=4 1479 B11R1.334 CCCC(=O)CN(C)C1CC1 2230a_100000226674_100000747444 [0,0,0,1,0,0|3,0,0]=4 1480 B11R1.334 CCCC(=O)CN(C)C1CC1 269982a_100000226674_100000747444 [0,0,0,1,0,0|3,0,0]=4 1481 B11R1.334 CCCC(=O)NC(C)C1CC1 11a_100000700016_100000211992 [0,0,0,1,0,0|3,0,0]=4 1482 B11R1.334 CCCC(=O)NC(C)C1CC1 1626a_100000700016_100000211992 [0,0,0,1,0,0|3,0,0]=4 1483 B11R1.334 CCCC(=O)NC(C)C1CC1 240690a_100000700016_100000211992 [0,0,0,1,0,0|3,0,0]=4 1484 B11R1.334 CCCC(=O)NC(C)C1CC1 527a_100000700016_100000211992 [0,0,0,1,0,0|3,0,0]=4 1485 B11R1.334 CCCC(C)CC(=O)C1CC1 1458a_100000210395_100011216630 [0,0,0,1,0,0|2,0,0]=3 1486 B11R1.334 CCCC(C)CC(=O)C1CO1 1458a_100000701028_100011216630 [0,0,0,1,0,0|3,0,0]=4 1487 B11R1.334 CCCC(C)NC(=O)C1CC1 11a_100000741246_100000210395 [0,0,0,1,0,0|3,0,0]=4 1488 B11R1.334 CCCC(C)NC(=O)C1CC1 1626a_100000741246_100000210395 [0,0,0,1,0,0|3,0,0]=4 1489 B11R1.334 CCCC(C)NC(=O)C1CC1 240690a_100000741246_100000210395 [0,0,0,1,0,0|3,0,0]=4 1490 B11R1.334 CCCC(C)NC(=O)C1CC1 527a_100000741246_100000210395 [0,0,0,1,0,0|3,0,0]=4 1491 B11R1.334 CCCN(C)CC(=O)C1CC1 2230a_100000747261_100000746382 [0,0,0,1,0,0|3,0,0]=4 1492 B11R1.334 CCCN(C)CC(=O)C1CC1 269982a_100000747261_100000746382 [0,0,0,1,0,0|3,0,0]=4 1493 B11R1.334 CCNC(=O)CC(=O)C1CC1 1458a_100000210395_100000183381 [0,0,0,1,0,0|1,0,2]=4 1494 B11R1.334 CCNC(=O)CN(C)C1CC1 2230a_100000226674_100000183381 [0,0,0,1,0,0|3,0,0]=4 1495 B11R1.334 CCNC(=O)CN(C)C1CC1 269982a_100000226674_100000183381 [0,0,0,1,0,0|3,0,0]=4 1496 B11R1.334 CCNC(=O)CN(C)C1CC1 269982a_100000741943_100000211595 [0,0,0,1,0,0|3,0,0]=4 1497 B11R1.334 CCNC(=O)NC(C)C1CC1 2708a_100000700016_100015525214 [0,0,0,1,0,0|3,0,0]=4 1498 B11R1.334 CCNC(=O)NC(C)C1CC1 2708a_100015525214_100000700016 [0,0,0,1,0,0|3,0,0]=4 1499 B11R1.334 CCNC(=O)NC(C)C1CC1 273464a_100000700016_100015525214 [0,0,0,1,0,0|3,0,0]=4 1500 B11R1.334 CCNC(=O)NC(C)C1CC1 273464a_100015525214_100000700016 [0,0,0,1,0,0|3,0,0]=4 1501 B11R1.334 CCNC(=O)NC(C)C1CC1 512a_100000700016_100015525214 [0,0,0,1,0,0|3,0,0]=4 1502 B11R1.334 CCNC(=O)NC(C)C1CC1 512a_100015525214_100000700016 [0,0,0,1,0,0|3,0,0]=4 1503 B11R1.334 CCOC(=O)CC(=O)C1CC1 1458a_100000210395_100000188475 [0,0,0,1,0,0|0,0,2]=3 1504 B11R1.334 CCOC(=O)CC(=O)C1CO1 1458a_100000701028_100000188475 [0,0,0,1,0,0|1,0,2]=4 1505 B11R1.334 CCOC(=O)CN(C)C1CC1 2230a_100000220965_200000210301 [0,0,0,1,0,0|2,0,0]=3 1506 B11R1.334 CCOC(=O)CN(C)C1CC1 2230a_100000226674_100000188475 [0,0,0,1,0,0|2,0,0]=3 1507 B11R1.334 CCOC(=O)CN(C)C1CC1 269982a_100000226674_100000188475 [0,0,0,1,0,0|2,0,0]=3 1508 B11R1.334 CCOC(=O)CN([13CH3])C1CC1 2230a_100000220965_200025704644 [0,0,0,1,0,0|2,0,0]=3 1509 B11R1.840 CC#CC(=O)CC1(CCC1)C 1458a_100000763181_100000726658 [0,0,0,1,0,0|2,0,1]=4 1510 B11R1.840 CC1(CCC1)CC(=O)CCO 1458a_100011216618_100000726658 [0,0,0,1,0,0|3,0,0]=4 1511 B11R1.840 CC=CC(=O)CC1(CCC1)C 1458a_100000210699_100000726658 [0,0,0,1,0,0|2,0,1]=4 1512 B11R1.840 CCCC(=O)CC1(CCC1)C 1458a_100000211992_100000726658 [0,0,0,1,0,0|2,0,0]=3 1513 B11R1.840 CCCC(=O)CC1(COC1)C 1458a_100000211992_100000066812 [0,0,0,1,0,0|3,0,0]=4 1514 B11R1.840 CCCC(=O)NC1(CCC1)C 11a_100000692455_100000211992 [0,0,0,1,0,0|3,0,0]=4 1515 B11R1.840 CCCC(=O)NC1(CCC1)C 1626a_100000692455_100000211992 [0,0,0,1,0,0|3,0,0]=4 1516 B11R1.840 CCCC(=O)NC1(CCC1)C 240690a_100000692455_100000211992 [0,0,0,1,0,0|3,0,0]=4 1517 B11R1.840 CCCC(=O)NC1(CCC1)C 527a_100000692455_100000211992 [0,0,0,1,0,0|3,0,0]=4 1518 B11R1.840 CCNC(=O)NC1(CCC1)C 2708a_100015525214_100000692455 [0,0,0,1,0,0|3,0,0]=4 1519 B11R1.840 CCNC(=O)NC1(CCC1)C 273464a_100000692455_100015525214 [0,0,0,1,0,0|3,0,0]=4 1520 B11R1.840 CCNC(=O)NC1(CCC1)C 273464a_100015525214_100000692455 [0,0,0,1,0,0|3,0,0]=4 1521 B11R1.840 CCNC(=O)NC1(CCC1)C 512a_100000692455_100015525214 [0,0,0,1,0,0|3,0,0]=4 1522 B11R1.840 CCNC(=O)NC1(CCC1)C 512a_100015525214_100000692455 [0,0,0,1,0,0|3,0,0]=4 1523 B11R1.840 COCC(=O)CC1(CCC1)C 1458a_100000210968_100000726658 [0,0,0,1,0,0|3,0,0]=4 1524 B11R1.840 CSCC(=O)CC1(CCC1)C 1458a_100000184570_100000726658 [0,0,0,1,0,0|3,0,0]=4 1525 B9R0.35 C#CCC(=O)[C@@H](O)CCC 1458a_100009822183_100000184674 [0,0,0,0,1,0|1,0,2]=4 1526 B9R0.35 C=C(CNC)C(=O)OCC 34a_100102657272_100000755967 [0,0,0,0,1,0|2,0,1]=4 1527 B9R0.35 C=C(CNC)C(=O)OCC 7a_106832991635_100000755967 [0,0,0,0,1,0|2,0,1]=4 1528 B9R0.35 C=C(COC)C(=O)OCC 34a_100138415774_100000755967 [0,0,0,0,1,0|2,0,1]=4 1529 B9R0.35 C=C(CSC)C(=O)OCC 62a_100000755967_200000210301 [0,0,0,0,1,0|2,0,1]=4 1530 B9R0.35 C=C(CSC)C(=O)OCC 62a_200000210301_100000755967 [0,0,0,0,1,0|2,0,1]=4 1531 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_100000755967_200025704644 [0,0,0,0,1,0|2,0,1]=4 1532 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_200025704644_100000755967 [0,0,0,0,1,0|2,0,1]=4 1533 B9R0.35 C=CCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210623 [0,0,0,0,1,0|1,0,2]=4 1534 B9R0.35 CC#CC(=O)C(C)CCC 1458a_100000763181_100000766640 [0,0,0,0,1,0|2,0,1]=4 1535 B9R0.35 CC=CC(=O)C(C)CCC 1458a_100000210699_100000766640 [0,0,0,0,1,0|2,0,1]=4 1536 B9R0.35 CCCC(=O)C(=O)NCC 1458a_200011297158_100000210303 [0,0,0,0,1,0|1,0,2]=4 1537 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000210906_100000210303 [0,0,0,0,1,0|2,0,0]=3 1538 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000211992_100000766640 [0,0,0,0,1,0|2,0,0]=3 1539 B9R0.35 CCCC(=O)C(C)CCO 1458a_100000211992_100009893172 [0,0,0,0,1,0|3,0,0]=4 1540 B9R0.35 CCCC(=O)C(C)COC 1458a_100000211992_100000765312 [0,0,0,0,1,0|3,0,0]=4 1541 B9R0.35 CCCC(=O)C(C)COC 1458a_100000751857_100000210303 [0,0,0,0,1,0|3,0,0]=4 1542 B9R0.35 CCCC(=O)C(C)CSC 1458a_100000753918_100000210303 [0,0,0,0,1,0|3,0,0]=4 1543 B9R0.35 CCCC(=O)C(C)OCC 1458a_100000739345_100000210303 [0,0,0,0,1,0|3,0,0]=4 1544 B9R0.35 CCCC(=O)C(C)SCC 1458a_100000230601_100000210303 [0,0,0,0,1,0|3,0,0]=4 1545 B9R0.35 CCCC(=O)N(C)CCC 11a_100000747261_100000211992 [0,0,0,0,1,0|3,0,0]=4 1546 B9R0.35 CCCC(=O)N(C)CCC 1626a_100000747261_100000211992 [0,0,0,0,1,0|3,0,0]=4 1547 B9R0.35 CCCC(=O)N(C)CCC 240690a_100000747261_100000211992 [0,0,0,0,1,0|3,0,0]=4 1548 B9R0.35 CCCC(=O)N(C)CCC 527a_100000747261_100000211992 [0,0,0,0,1,0|3,0,0]=4 1549 B9R0.35 CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210303 [0,0,0,0,1,0|1,0,0]=2 1550 B9R0.35 CCCC(C)C(=O)CCF 1458a_100000210906_100011217306 [0,0,0,0,1,0|3,0,0]=4 1551 B9R0.35 CCCC(C)C(=O)CCO 1458a_100000210906_100000211926 [0,0,0,0,1,0|3,0,0]=4 1552 B9R0.35 CCCC(C)C(=O)CCO 1458a_100011216618_100000766640 [0,0,0,0,1,0|3,0,0]=4 1553 B9R0.35 CCCC(C)C(=O)COC 1458a_100000210968_100000766640 [0,0,0,0,1,0|3,0,0]=4 1554 B9R0.35 CCCC(C)C(=O)CSC 1458a_100000184570_100000766640 [0,0,0,0,1,0|3,0,0]=4 1555 B9R0.35 CCCC(C)C(=O)NCC 11a_100015525214_100000210906 [0,0,0,0,1,0|2,0,0]=3 1556 B9R0.35 CCCC(C)C(=O)NCC 240690a_100015525214_100000210906 [0,0,0,0,1,0|2,0,0]=3 1557 B9R0.35 CCCC(C)C(=O)NCC 527a_100015525214_100000210906 [0,0,0,0,1,0|2,0,0]=3 1558 B9R0.35 CCCC(C)C(=O)NNC 22a_100016993582_100000210906 [0,0,0,0,1,0|3,0,0]=4 1559 B9R0.35 CCCC(C)C(C)OCC 34a_100000708338_100000210202 [0,0,0,0,1,0|2,0,1]=4 1560 B9R0.35 CCCC(C)C(C)OCC 7a_100000708338_100000210202 [0,0,0,0,1,0|2,0,1]=4 1561 B9R0.35 CCCN(C)C(=O)NCC 2708a_100015525214_100000747261 [0,0,0,0,1,0|3,0,0]=4 1562 B9R0.35 CCCN(C)C(=O)NCC 273464a_100015525214_100000747261 [0,0,0,0,1,0|3,0,0]=4 1563 B9R0.35 CCC[C@H](O)C(=O)CC#N 1458a_100009822183_100011214920 [0,0,0,0,1,0|2,0,1]=4 1564 B9R0.35 CCC[C@H](O)C(=O)CCF 1458a_100009822183_100011217306 [0,0,0,0,1,0|2,0,0]=3 1565 B9R0.35 CCC[C@H](O)C(=O)CCO 1458a_100009822183_100000211926 [0,0,0,0,1,0|2,0,0]=3 1566 B9R0.35 CCC[C@H](O)C(=O)NCC 240690a_100015525214_100009822183 [0,0,0,0,1,0|1,0,0]=2 1567 B9R0.35 CCC[C@H](O)C(=O)NNC 22a_100016993582_100009822183 [0,0,0,0,1,0|2,0,0]=3 1568 B9R0.35 CCNC(=O)C(=O)OCC 11a_100015525214_100014798877 [0,0,0,0,1,0|1,0,2]=4 1569 B9R0.35 CCNC(=O)C(=O)OCC 240690a_100015525214_100014798877 [0,0,0,0,1,0|1,0,2]=4 1570 B9R0.35 CCNC(=O)C(C)COC 11a_100015525214_100000751857 [0,0,0,0,1,0|3,0,0]=4 1571 B9R0.35 CCNC(=O)C(C)COC 240690a_100015525214_100000751857 [0,0,0,0,1,0|3,0,0]=4 1572 B9R0.35 CCNC(=O)C(C)COC 527a_100015525214_100000751857 [0,0,0,0,1,0|3,0,0]=4 1573 B9R0.35 CCNC(=O)C(C)CSC 11a_100015525214_100000753918 [0,0,0,0,1,0|3,0,0]=4 1574 B9R0.35 CCNC(=O)C(C)CSC 240690a_100015525214_100000753918 [0,0,0,0,1,0|3,0,0]=4 1575 B9R0.35 CCNC(=O)C(C)CSC 527a_100015525214_100000753918 [0,0,0,0,1,0|3,0,0]=4 1576 B9R0.35 CCNC(=O)C(C)NCC 2230a_100000736553_100000210202 [0,0,0,0,1,0|3,0,0]=4 1577 B9R0.35 CCNC(=O)C(C)NCC 2230a_100015525214_100000230173 [0,0,0,0,1,0|3,0,0]=4 1578 B9R0.35 CCNC(=O)C(C)NCC 34a_100000736553_100000210202 [0,0,0,0,1,0|3,0,0]=4 1579 B9R0.35 CCNC(=O)C(C)OCC 11a_100015525214_100000739345 [0,0,0,0,1,0|3,0,0]=4 1580 B9R0.35 CCNC(=O)C(C)OCC 240690a_100015525214_100000739345 [0,0,0,0,1,0|3,0,0]=4 1581 B9R0.35 CCNC(=O)C(C)OCC 34a_100121572206_100000230173 [0,0,0,0,1,0|3,0,0]=4 1582 B9R0.35 CCNC(=O)C(C)OCC 527a_100015525214_100000739345 [0,0,0,0,1,0|3,0,0]=4 1583 B9R0.35 CCNC(=O)C(C)SCC 11a_100015525214_100000230601 [0,0,0,0,1,0|3,0,0]=4 1584 B9R0.35 CCNC(=O)C(C)SCC 240690a_100015525214_100000230601 [0,0,0,0,1,0|3,0,0]=4 1585 B9R0.35 CCNC(=O)C(C)SCC 527a_100015525214_100000230601 [0,0,0,0,1,0|3,0,0]=4 1586 B9R0.35 CCNC(=O)C(C)SCC 62a_100000210202_100000230173 [0,0,0,0,1,0|3,0,0]=4 1587 B9R0.35 CCNC(=O)C(C)SCC 62a_100000230173_100000210202 [0,0,0,0,1,0|3,0,0]=4 1588 B9R0.35 CCNC(C)C(=O)OCC 2230a_100015525214_100011215307 [0,0,0,0,1,0|2,0,0]=3 1589 B9R0.35 CCNC(F)C(=O)OCC 2230a_100015525214_100000760018 [0,0,0,0,1,0|2,0,0]=3 1590 B9R0.35 CCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210202 [0,0,0,0,1,0|2,1,0]=4 1591 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [0,0,0,0,1,0|1,0,2]=4 1592 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [0,0,0,0,1,0|1,0,2]=4 1593 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [0,0,0,0,1,0|1,0,2]=4 1594 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [0,0,0,0,1,0|1,0,2]=4 1595 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [0,0,0,0,1,0|2,0,0]=3 1596 B9R0.35 CCOC(=O)C(C)SCC 62a_100000210202_100011216346 [0,0,0,0,1,0|2,0,0]=3 1597 B9R0.35 CCOC(=O)C(C)SCC 62a_100011216346_100000210202 [0,0,0,0,1,0|2,0,0]=3 1598 B9R0.35 CCOC(=O)C(C)SCF 62a_100011216346_100015361967 [0,0,0,0,1,0|3,0,0]=4 1599 B9R0.35 CCOC(=O)C(C)SCF 62a_100015361967_100011216346 [0,0,0,0,1,0|3,0,0]=4 1600 B9R0.35 CCOC(=O)C(F)OCC 34a_100121572206_100000760018 [0,0,0,0,1,0|2,0,0]=3 1601 B9R0.35 CCOC(=O)C(F)SCC 62a_100000210202_100000760018 [0,0,0,0,1,0|2,0,0]=3 1602 B9R0.35 CCOC(=O)C(F)SCC 62a_100000760018_100000210202 [0,0,0,0,1,0|2,0,0]=3 1603 B9R0.35 CCOC(=O)C(F)SCF 62a_100000760018_100015361967 [0,0,0,0,1,0|3,0,0]=4 1604 B9R0.35 CCOC(=O)C(F)SCF 62a_100015361967_100000760018 [0,0,0,0,1,0|3,0,0]=4 1605 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [0,0,0,0,1,0|2,0,0]=3 1606 B9R0.35 CCOC(=O)[C@H](C)OCF 7a_100000751109_100015361967 [0,0,0,0,1,0|3,0,0]=4 1607 B11R0.62 C#CCC(C)OCC(=O)OCC 34a_100000685586_100000188475 [0,0,0,0,0,1|1,0,2]=4 1608 B11R0.62 C#CCC(C)OCC(=O)OCC 7a_100000685586_100000188475 [0,0,0,0,0,1|1,0,2]=4 1609 B11R0.62 C/C=C/C(C)OCC(=O)OCC 34a_200102604097_100000188475 [0,0,0,0,0,1|1,0,2]=4 1610 B11R0.62 C=CC[C@@H](C)OCC(=O)OCC 34a_100000731007_100000188475 [0,0,0,0,0,1|1,0,2]=4 1611 B11R0.62 C=CC[C@@H](C)OCC(=O)OCC 7a_100000731007_100000188475 [0,0,0,0,0,1|1,0,2]=4 1612 B11R0.62 C=COC(=O)CNC(C)CCC 2230a_100000741246_100000036128 [0,0,0,0,0,1|1,0,2]=4 1613 B11R0.62 C=COC(=O)COC(C)CCC 34a_100000764384_100000036128 [0,0,0,0,0,1|1,0,2]=4 1614 B11R0.62 C=COC(=O)CSC(C)CCC 62a_100000036128_100000766640 [0,0,0,0,0,1|1,0,2]=4 1615 B11R0.62 C=COC(=O)CSC(C)CCC 62a_100000766640_100000036128 [0,0,0,0,0,1|1,0,2]=4 1616 B11R0.62 CC#CC(C)OCC(=O)OCC 34a_100011216543_100000188475 [0,0,0,0,0,1|1,0,2]=4 1617 B11R0.62 CC=CC(=O)NCC(O)COC 240690a_100000756049_100000210699 [0,0,0,0,0,1|2,0,1]=4 1618 B11R0.62 CCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210303 [0,0,0,0,0,1|0,0,3]=4 1619 B11R0.62 CCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210303 [0,0,0,0,0,1|1,0,2]=4 1620 B11R0.62 CCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210303 [0,0,0,0,0,1|0,0,2]=3 1621 B11R0.62 CCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210303 [0,0,0,0,0,1|0,0,2]=3 1622 B11R0.62 CCCC(=O)CNC(C)CCC 2230a_100000741246_100000747444 [0,0,0,0,0,1|2,0,0]=3 1623 B11R0.62 CCCC(=O)CN[C@H](C)CCO 2230a_100000706166_100000747444 [0,0,0,0,0,1|3,0,0]=4 1624 B11R0.62 CCCC(=O)CN[C@H](C)COC 2230a_100000764878_100000747444 [0,0,0,0,0,1|3,0,0]=4 1625 B11R0.62 CCCC(=O)COC(=O)CCC 1458a_100000211992_100000034017 [0,0,0,0,0,1|1,0,2]=4 1626 B11R0.62 CCCC(=O)COC(C)CCC 7a_100000764384_100000747444 [0,0,0,0,0,1|2,0,0]=3 1627 B11R0.62 CCCC(=O)CSC(C)CCC 62a_100000747444_100000766640 [0,0,0,0,0,1|2,0,0]=3 1628 B11R0.62 CCCC(=O)CSC(C)CCC 62a_100000766640_100000747444 [0,0,0,0,0,1|2,0,0]=3 1629 B11R0.62 CCCC(=O)CSC(C)CCO 62a_100000747444_100009893172 [0,0,0,0,0,1|3,0,0]=4 1630 B11R0.62 CCCC(=O)CSC(C)CCO 62a_100009893172_100000747444 [0,0,0,0,0,1|3,0,0]=4 1631 B11R0.62 CCCC(=O)CSC(C)COC 62a_100000747444_100000765312 [0,0,0,0,0,1|3,0,0]=4 1632 B11R0.62 CCCC(=O)CSC(C)COC 62a_100000765312_100000747444 [0,0,0,0,0,1|3,0,0]=4 1633 B11R0.62 CCCC(=O)NCC(=O)NCC 11a_100016988866_100000211992 [0,0,0,0,0,1|1,0,2]=4 1634 B11R0.62 CCCC(=O)NCC(=O)NCC 1626a_100016988866_100000211992 [0,0,0,0,0,1|1,0,2]=4 1635 B11R0.62 CCCC(=O)NCC(=O)NCC 240690a_100016988866_100000211992 [0,0,0,0,0,1|1,0,2]=4 1636 B11R0.62 CCCC(=O)NCC(=O)NCC 527a_100016988866_100000211992 [0,0,0,0,0,1|1,0,2]=4 1637 B11R0.62 CCCC(=O)NCC(=O)OCC 188690a_100000741813_100000211992 [0,0,0,0,0,1|0,0,2]=3 1638 B11R0.62 CCCC(=O)NCC(O)COC 240690a_100000756049_100000211992 [0,0,0,0,0,1|2,0,0]=3 1639 B11R0.62 CCCC(=O)NCC(O)COC 527a_100000756049_100000211992 [0,0,0,0,0,1|2,0,0]=3 1640 B11R0.62 CCCC(=O)OCN(C)CCC 2230a_100000747261_100000034017 [0,0,0,0,0,1|3,0,0]=4 1641 B11R0.62 CCCC(=O)OCN(C)CCC 269982a_100000747261_100000034017 [0,0,0,0,0,1|3,0,0]=4 1642 B11R0.62 CCCC(C)NCC(=O)NCC 2230a_100000741246_100000183381 [0,0,0,0,0,1|2,0,0]=3 1643 B11R0.62 CCCC(C)NCC(=O)NCC 2230a_100016988866_100000766640 [0,0,0,0,0,1|2,0,0]=3 1644 B11R0.62 CCCC(C)NCC(=O)NCC 270004a_100016988866_100000211909 [0,0,0,0,0,1|2,0,0]=3 1645 B11R0.62 CCCC(C)NCC(=O)NCO 2230a_100000741246_100000185155 [0,0,0,0,0,1|3,0,0]=4 1646 B11R0.62 CCCC(C)NCC(=O)OCC 2230a_100000741246_100000188475 [0,0,0,0,0,1|1,0,0]=2 1647 B11R0.62 CCCC(C)OCC(=O)NCC 34a_100000764384_100000183381 [0,0,0,0,0,1|2,0,0]=3 1648 B11R0.62 CCCC(C)OCC(=O)NCC 7a_100000764384_100000183381 [0,0,0,0,0,1|2,0,0]=3 1649 B11R0.62 CCCC(C)OCC(=O)NCO 34a_100000764384_100000185155 [0,0,0,0,0,1|3,0,0]=4 1650 B11R0.62 CCCC(C)OCC(=O)NCO 7a_100000764384_100000185155 [0,0,0,0,0,1|3,0,0]=4 1651 B11R0.62 CCCC(C)OCC(=O)OCC 34a_100000764384_100000188475 [0,0,0,0,0,1|1,0,0]=2 1652 B11R0.62 CCCC(C)OCC(=O)OCC 7a_100000764384_100000188475 [0,0,0,0,0,1|1,0,0]=2 1653 B11R0.62 CCCC(C)SCC(=O)NCC 62a_100000183381_100000766640 [0,0,0,0,0,1|2,0,0]=3 1654 B11R0.62 CCCC(C)SCC(=O)NCC 62a_100000766640_100000183381 [0,0,0,0,0,1|2,0,0]=3 1655 B11R0.62 CCCC(C)SCC(=O)NCO 62a_100000185155_100000766640 [0,0,0,0,0,1|3,0,0]=4 1656 B11R0.62 CCCC(C)SCC(=O)NCO 62a_100000766640_100000185155 [0,0,0,0,0,1|3,0,0]=4 1657 B11R0.62 CCCC(C)SCC(=O)OCC 62a_100000188475_100000766640 [0,0,0,0,0,1|1,0,0]=2 1658 B11R0.62 CCCC(C)SCC(=O)OCC 62a_100000766640_100000188475 [0,0,0,0,0,1|1,0,0]=2 1659 B11R0.62 CCCN(C)CCC(=O)NCC 2230a_100000747261_100000737597 [0,0,0,0,0,1|3,0,0]=4 1660 B11R0.62 CCCN(C)CCC(=O)NCC 269982a_100000747261_100000737597 [0,0,0,0,0,1|3,0,0]=4 1661 B11R0.62 CCCN(C)CCC(=O)OCC 2230a_100000745921_100000210303 [0,0,0,0,0,1|2,0,0]=3 1662 B11R0.62 CCCN(C)CCC(=O)OCC 2230a_100000747261_100011206558 [0,0,0,0,0,1|2,0,0]=3 1663 B11R0.62 CCCN(C)CCC(=O)OCC 269982a_100000745921_100000210303 [0,0,0,0,0,1|2,0,0]=3 1664 B11R0.62 CCCN(C)CCC(=O)OCC 269982a_100000747261_100011206558 [0,0,0,0,0,1|2,0,0]=3 1665 B11R0.62 CCNC(=O)CCC(=O)OCC 11a_100015525214_100000183558 [0,0,0,0,0,1|1,0,2]=4 1666 B11R0.62 CCNC(=O)CCC(=O)OCC 240690a_100015525214_100000183558 [0,0,0,0,0,1|1,0,2]=4 1667 B11R0.62 CCNC(=O)CNC(=O)OCC 11a_100015525214_100000190774 [0,0,0,0,0,1|1,0,2]=4 1668 B11R0.62 CCNC(=O)CNC(=O)OCC 240690a_100015525214_100000190774 [0,0,0,0,0,1|1,0,2]=4 1669 B11R0.62 CCNC(=O)CNC(=O)OCC 527a_100015525214_100000190774 [0,0,0,0,0,1|1,0,2]=4 1670 B11R0.62 CCNC(=O)CNC(C)CCO 2230a_100016988866_100009893172 [0,0,0,0,0,1|3,0,0]=4 1671 B11R0.62 CCNC(=O)CNC(C)COC 2230a_100016988866_100000765312 [0,0,0,0,0,1|3,0,0]=4 1672 B11R0.62 CCNC(=O)CNC(C)COC 270004a_100016988866_100000749346 [0,0,0,0,0,1|3,0,0]=4 1673 B11R0.62 CCNC(=O)CNC(C)CSC 270004a_100016988866_100011216314 [0,0,0,0,0,1|3,0,0]=4 1674 B11R0.62 CCNC(=O)CN[C@H](C)CCO 2230a_100000706166_100000183381 [0,0,0,0,0,1|3,0,0]=4 1675 B11R0.62 CCNC(=O)CN[C@H](C)CCO 34a_100000706166_100000183381 [0,0,0,0,0,1|3,0,0]=4 1676 B11R0.62 CCNC(=O)CN[C@H](C)COC 2230a_100000764878_100000183381 [0,0,0,0,0,1|3,0,0]=4 1677 B11R0.62 CCNC(=O)COC(C)CCBr 34a_100012276601_100000183381 [0,0,0,0,0,1|3,0,0]=4 1678 B11R0.62 CCNC(=O)CO[C@H](C)COC 34a_100011934205_100000183381 [0,0,0,0,0,1|3,0,0]=4 1679 B11R0.62 CCNC(=O)CSC(C)CCO 62a_100000183381_100009893172 [0,0,0,0,0,1|3,0,0]=4 1680 B11R0.62 CCNC(=O)CSC(C)CCO 62a_100009893172_100000183381 [0,0,0,0,0,1|3,0,0]=4 1681 B11R0.62 CCNC(=O)CSC(C)COC 62a_100000183381_100000765312 [0,0,0,0,0,1|3,0,0]=4 1682 B11R0.62 CCNC(=O)CSC(C)COC 62a_100000765312_100000183381 [0,0,0,0,0,1|3,0,0]=4 1683 B11R0.62 CCNC(=O)NCC(O)COC 2708a_100015525214_100000756049 [0,0,0,0,0,1|2,0,0]=3 1684 B11R0.62 CCNC(=O)NCC(O)COC 273464a_100000756049_100015525214 [0,0,0,0,0,1|2,0,0]=3 1685 B11R0.62 CCNC(=O)NCC(O)COC 273464a_100015525214_100000756049 [0,0,0,0,0,1|2,0,0]=3 1686 B11R0.62 CCNC(=O)NCC(O)COC 512a_100000756049_100015525214 [0,0,0,0,0,1|2,0,0]=3 1687 B11R0.62 CCNC(=O)NCC(O)COC 512a_100015525214_100000756049 [0,0,0,0,0,1|2,0,0]=3 1688 B11R0.62 CCNC(C)CCC(=O)OCC 2230a_100015525214_100000748298 [0,0,0,0,0,1|2,0,0]=3 1689 B11R0.62 CCOC(=O)CCC(=O)CCF 1458a_100000183558_100011217306 [0,0,0,0,0,1|1,0,2]=4 1690 B11R0.62 CCOC(=O)CCC(=O)CCO 1458a_100000183558_100000211926 [0,0,0,0,0,1|1,0,2]=4 1691 B11R0.62 CCOC(=O)CCC(C)OCC 34a_100121572206_100000748298 [0,0,0,0,0,1|2,0,0]=3 1692 B11R0.62 CCOC(=O)CCC(C)SCC 62a_100000210202_100000748298 [0,0,0,0,0,1|2,0,0]=3 1693 B11R0.62 CCOC(=O)CCC(C)SCC 62a_100000748298_100000210202 [0,0,0,0,0,1|2,0,0]=3 1694 B11R0.62 CCOC(=O)CCC(C)SCF 62a_100000748298_100015361967 [0,0,0,0,0,1|3,0,0]=4 1695 B11R0.62 CCOC(=O)CCC(C)SCF 62a_100015361967_100000748298 [0,0,0,0,0,1|3,0,0]=4 1696 B11R0.62 CCOC(=O)CCN(C)CCF 2230a_100000745921_100011217306 [0,0,0,0,0,1|3,0,0]=4 1697 B11R0.62 CCOC(=O)CCN(C)CCF 269982a_100000745921_100011217306 [0,0,0,0,0,1|3,0,0]=4 1698 B11R0.62 CCOC(=O)CCN(C)CCO 2230a_100000210263_100011206558 [0,0,0,0,0,1|3,0,0]=4 1699 B11R0.62 CCOC(=O)CCN(C)CCO 2230a_100000745921_100000211926 [0,0,0,0,0,1|3,0,0]=4 1700 B11R0.62 CCOC(=O)CCN(C)CCO 269982a_100000210263_100011206558 [0,0,0,0,0,1|3,0,0]=4 1701 B11R0.62 CCOC(=O)CCN(C)CCO 269982a_100000745921_100000211926 [0,0,0,0,0,1|3,0,0]=4 1702 B11R0.62 CCOC(=O)CCN(C)COC 2230a_100000745921_100000766300 [0,0,0,0,0,1|3,0,0]=4 1703 B11R0.62 CCOC(=O)CCN(C)COC 269982a_100000745921_100000766300 [0,0,0,0,0,1|3,0,0]=4 1704 B11R0.62 CCOC(=O)CCN(C)CSC 2230a_100000745921_100011218213 [0,0,0,0,0,1|3,0,0]=4 1705 B11R0.62 CCOC(=O)CCN(C)CSC 269982a_100000745921_100011218213 [0,0,0,0,0,1|3,0,0]=4 1706 B11R0.62 CCOC(=O)CNC(=O)CNC 2230a_106832991635_100011215850 [0,0,0,0,0,1|1,0,2]=4 1707 B11R0.62 CCOC(=O)CNC(=O)CNC 34a_100102657272_100011215850 [0,0,0,0,0,1|1,0,2]=4 1708 B11R0.62 CCOC(=O)CNC(=O)CNC 7a_106832991635_100011215850 [0,0,0,0,0,1|1,0,2]=4 1709 B11R0.62 CCOC(=O)CNC(=O)COC 188690a_100000741813_100000210968 [0,0,0,0,0,1|1,0,2]=4 1710 B11R0.62 CCOC(=O)CNC(=O)COC 34a_100138415774_100011215850 [0,0,0,0,0,1|1,0,2]=4 1711 B11R0.62 CCOC(=O)CNC(=O)CSC 188690a_100000741813_100000184570 [0,0,0,0,0,1|1,0,2]=4 1712 B11R0.62 CCOC(=O)CNC(=O)CSC 62a_100011215850_200000210301 [0,0,0,0,0,1|1,0,2]=4 1713 B11R0.62 CCOC(=O)CNC(=O)CSC 62a_200000210301_100011215850 [0,0,0,0,0,1|1,0,2]=4 1714 B11R0.62 CCOC(=O)CNC(=O)CS[13CH3] 62a_100011215850_200025704644 [0,0,0,0,0,1|1,0,2]=4 1715 B11R0.62 CCOC(=O)CNC(=O)CS[13CH3] 62a_200025704644_100011215850 [0,0,0,0,0,1|1,0,2]=4 1716 B11R0.62 CCOC(=O)CN[C@@H](C)CC#N 2230a_100016994482_100000188475 [0,0,0,0,0,1|2,0,1]=4 1717 B11R0.62 CCOC(=O)CN[C@H](C)CCO 2230a_100000706166_100000188475 [0,0,0,0,0,1|2,0,0]=3 1718 B11R0.62 CCOC(=O)CN[C@H](C)CCO 34a_100000706166_100000188475 [0,0,0,0,0,1|2,0,0]=3 1719 B11R0.62 CCOC(=O)CN[C@H](C)COC 2230a_100000764878_100000188475 [0,0,0,0,0,1|2,0,0]=3 1720 B11R0.62 CCOC(=O)COC(C)CCBr 34a_100012276601_100000188475 [0,0,0,0,0,1|2,0,0]=3 1721 B11R0.62 CCOC(=O)CO[C@H](C)COC 34a_100011934205_100000188475 [0,0,0,0,0,1|2,0,0]=3 1722 B11R0.62 CCOC(=O)CSC(C)CC#N 62a_100000188475_100009813641 [0,0,0,0,0,1|2,0,1]=4 1723 B11R0.62 CCOC(=O)CSC(C)CC#N 62a_100009813641_100000188475 [0,0,0,0,0,1|2,0,1]=4 1724 B11R0.62 CCOC(=O)CSC(C)CCO 62a_100000188475_100009893172 [0,0,0,0,0,1|2,0,0]=3 1725 B11R0.62 CCOC(=O)CSC(C)CCO 62a_100009893172_100000188475 [0,0,0,0,0,1|2,0,0]=3 1726 B11R0.62 CCOC(=O)CSC(C)COC 62a_100000188475_100000765312 [0,0,0,0,0,1|2,0,0]=3 1727 B11R0.62 CCOC(=O)CSC(C)COC 62a_100000765312_100000188475 [0,0,0,0,0,1|2,0,0]=3 1728 B11R0.62 CCOC(=O)NCC(=O)CCF 1458a_100000190774_100011217306 [0,0,0,0,0,1|1,0,2]=4 1729 B11R0.62 CCOC(=O)NCC(=O)CCO 1458a_100000190774_100000211926 [0,0,0,0,0,1|1,0,2]=4 1730 B11R0.62 CNNC(=O)NCC(O)COC 273464a_100000756049_100016993582 [0,0,0,0,0,1|3,0,0]=4 1731 B11R0.62 CNNC(=O)NCC(O)COC 512a_100000756049_100016993582 [0,0,0,0,0,1|3,0,0]=4 1732 B11R0.62 CNNC(=O)NCC(O)COC 512a_100016993582_100000756049 [0,0,0,0,0,1|3,0,0]=4 1733 B11R0.62 COCC(=O)NCC(O)COC 240690a_100000756049_100000210968 [0,0,0,0,0,1|3,0,0]=4 1734 B11R0.62 COCC(=O)NCC(O)COC 527a_100000756049_100000210968 [0,0,0,0,0,1|3,0,0]=4 1735 B11R0.62 COCC(O)CNC(=O)CCO 240690a_100000756049_100011216618 [0,0,0,0,0,1|3,0,0]=4 1736 B11R0.62 COCC(O)CNC(=O)CSC 240690a_100000756049_100000184570 [0,0,0,0,0,1|3,0,0]=4 1737 B11R0.62 COCC(O)CNC(=O)CSC 527a_100000756049_100000184570 [0,0,0,0,0,1|3,0,0]=4 1738 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [2,0,0,0,0,0|1,0,1]=4 1739 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [2,0,0,0,0,0|1,0,1]=4 1740 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [2,0,0,0,0,0|2,0,0]=4 1741 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [2,0,0,0,0,0|2,0,0]=4 1742 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [2,0,0,0,0,0|2,0,0]=4 1743 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [2,0,0,0,0,0|2,0,0]=4 1744 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [2,0,0,0,0,0|2,0,0]=4 1745 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [2,0,0,0,0,0|2,0,0]=4 1746 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [2,0,0,0,0,0|2,0,0]=4 1747 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [2,0,0,0,0,0|0,0,2]=4 1748 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [2,0,0,0,0,0|2,0,0]=4 1749 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [2,0,0,0,0,0|2,0,0]=4 1750 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [2,0,0,0,0,0|2,0,0]=4 1751 B8R0.1 CCCC(C)CCOC 34a_100011217855_200000210301 [2,0,0,0,0,0|1,0,1]=4 1752 B8R0.1 CCCC(C)CCOC 7a_100011217855_200000210301 [2,0,0,0,0,0|1,0,1]=4 1753 B8R0.1 CCCC(C)CCO[13CH3] 34a_100011217855_200025704644 [2,0,0,0,0,0|1,0,1]=4 1754 B8R0.1 CCCC(C)CCO[13CH3] 7a_100011217855_200025704644 [2,0,0,0,0,0|1,0,1]=4 1755 B8R0.1 CCCC(C)CNCC 2230a_100015525214_100011216630 [2,0,0,0,0,0|2,0,0]=4 1756 B8R0.1 CCCC(C)CNCC 270004a_100015525214_100000243154 [2,0,0,0,0,0|2,0,0]=4 1757 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [2,0,0,0,0,0|1,0,0]=3 1758 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [2,0,0,0,0,0|1,0,0]=3 1759 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [2,0,0,0,0,0|1,0,0]=3 1760 B8R0.1 CCCC(C)COCF 34a_100000688023_100015361967 [2,0,0,0,0,0|2,0,0]=4 1761 B8R0.1 CCCC(C)COCF 7a_100000688023_100015361967 [2,0,0,0,0,0|2,0,0]=4 1762 B8R0.1 CCCC(C)CSCC 62a_100000210202_100011216630 [2,0,0,0,0,0|1,1,0]=4 1763 B8R0.1 CCCC(C)CSCC 62a_100011216630_100000210202 [2,0,0,0,0,0|1,1,0]=4 1764 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [2,0,0,0,0,0|1,0,0]=3 1765 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [2,0,0,0,0,0|1,0,0]=3 1766 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [2,0,0,0,0,0|2,0,0]=4 1767 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [2,0,0,0,0,0|2,0,0]=4 1768 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [2,0,0,0,0,0|2,0,0]=4 1769 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [2,0,0,0,0,0|2,0,0]=4 1770 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [2,0,0,0,0,0|2,0,0]=4 1771 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [2,0,0,0,0,0|1,0,0]=3 1772 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [2,0,0,0,0,0|1,0,0]=3 1773 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [2,0,0,0,0,0|1,0,0]=3 1774 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [2,0,0,0,0,0|2,0,0]=4 1775 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [2,0,0,0,0,0|1,0,1]=4 1776 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [2,0,0,0,0,0|1,0,1]=4 1777 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [2,0,0,0,0,0|1,0,1]=4 1778 B8R0.1 CCCN(C)COCC 269982a_100000747261_100000739092 [2,0,0,0,0,0|2,0,0]=4 1779 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [2,0,0,0,0,0|2,0,0]=4 1780 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [2,0,0,0,0,0|2,0,0]=4 1781 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [2,0,0,0,0,0|2,0,0]=4 1782 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [2,0,0,0,0,0|2,0,0]=4 1783 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [2,0,0,0,0,0|2,0,0]=4 1784 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [2,0,0,0,0,0|2,0,0]=4 1785 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [2,0,0,0,0,0|2,0,0]=4 1786 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [2,0,0,0,0,0|2,0,0]=4 1787 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [2,0,0,0,0,0|2,0,0]=4 1788 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [2,0,0,0,0,0|2,0,0]=4 1789 B8R0.1 CCC[C@H](N)CCOC 34a_100015193777_200000210301 [2,0,0,0,0,0|1,0,1]=4 1790 B8R0.1 CCC[C@H](N)CCO[13CH3] 34a_100015193777_200025704644 [2,0,0,0,0,0|1,0,1]=4 1791 B8R0.1 CCC[C@H](N)COCC 34a_100000732646_100000210202 [2,0,0,0,0,0|1,0,0]=3 1792 B8R0.1 CCC[C@H](N)COCF 34a_100000732646_100015361967 [2,0,0,0,0,0|2,0,0]=4 1793 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [2,0,0,0,0,0|2,0,0]=4 1794 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [2,0,0,0,0,0|2,0,0]=4 1795 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [2,0,0,0,0,0|2,0,0]=4 1796 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [2,0,0,0,0,0|2,0,0]=4 1797 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [2,0,0,0,0,0|2,0,0]=4 1798 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [2,0,0,0,0,0|2,0,0]=4 1799 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [2,0,0,0,0,0|2,0,0]=4 1800 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [2,0,0,0,0,0|2,0,0]=4 1801 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [2,0,0,0,0,0|2,0,0]=4 1802 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [2,0,0,0,0,0|2,0,0]=4 1803 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [2,0,0,0,0,0|2,0,0]=4 1804 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [2,0,0,0,0,0|2,0,0]=4 1805 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [2,0,0,0,0,0|2,0,0]=4 1806 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [2,0,0,0,0,0|2,0,0]=4 1807 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [2,0,0,0,0,0|2,0,0]=4 1808 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [2,0,0,0,0,0|2,0,0]=4 1809 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [2,0,0,0,0,0|2,0,0]=4 1810 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [2,0,0,0,0,0|2,0,0]=4 1811 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [2,0,0,0,0,0|2,0,0]=4 1812 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [2,0,0,0,0,0|2,0,0]=4 1813 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [2,0,0,0,0,0|2,0,0]=4 1814 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [2,0,0,0,0,0|2,0,0]=4 1815 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [2,0,0,0,0,0|2,0,0]=4 1816 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [2,0,0,0,0,0|2,0,0]=4 1817 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [2,0,0,0,0,0|2,0,0]=4 1818 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [2,0,0,0,0,0|1,0,0]=3 1819 B8R0.1 CCNCC(O)COC 2230a_100000756049_100000210202 [2,0,0,0,0,0|2,0,0]=4 1820 B8R0.1 CCNCC(O)COC 34a_100000756049_100000210202 [2,0,0,0,0,0|2,0,0]=4 1821 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [2,0,0,0,0,0|1,0,0]=3 1822 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [2,0,0,0,0,0|1,0,0]=3 1823 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [2,0,0,0,0,0|1,0,0]=3 1824 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [2,0,0,0,0,0|1,0,0]=3 1825 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [2,0,0,0,0,0|1,0,0]=3 1826 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [2,0,0,0,0,0|1,0,0]=3 1827 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [2,0,0,0,0,0|1,0,0]=3 1828 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [2,0,0,0,0,0|1,0,0]=3 1829 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [2,0,0,0,0,0|1,0,0]=3 1830 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [2,0,0,0,0,0|1,0,0]=3 1831 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [2,0,0,0,0,0|2,0,0]=4 1832 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [2,0,0,0,0,0|2,0,0]=4 1833 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [2,0,0,0,0,0|2,0,0]=4 1834 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [2,0,0,0,0,0|2,0,0]=4 1835 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [2,0,0,0,0,0|1,0,0]=3 1836 B8R0.1 CCOCC(C)CCN 34a_106354213184_100000210202 [2,0,0,0,0,0|2,0,0]=4 1837 B8R0.1 CCOCC(C)OCC 34a_100000718985_100000210202 [2,0,0,0,0,0|2,0,0]=4 1838 B8R0.1 CCOCC(C)OCC 7a_100000718985_100000210202 [2,0,0,0,0,0|2,0,0]=4 1839 B8R0.1 CCOCC(N)COC 34a_100000724102_100000210202 [2,0,0,0,0,0|2,0,0]=4 1840 B8R0.1 CCOCC(O)CNC 2230a_102515437182_200000210301 [2,0,0,0,0,0|1,0,0]=3 1841 B8R0.1 CCOCC(O)CNC 34a_102515437182_200000210301 [2,0,0,0,0,0|1,0,0]=3 1842 B8R0.1 CCOCC(O)CN[13CH3] 2230a_102515437182_200025704644 [2,0,0,0,0,0|1,0,0]=3 1843 B8R0.1 CCOCC(O)CN[13CH3] 34a_102515437182_200025704644 [2,0,0,0,0,0|1,0,0]=3 1844 B8R0.1 CCOCC(O)COC 34a_100121572206_100011215053 [2,0,0,0,0,0|1,0,0]=3 1845 B8R0.1 CCSCC(O)COC 62a_100000210202_100011215053 [2,0,0,0,0,0|1,1,0]=4 1846 B8R0.1 CCSCC(O)COC 62a_100011215053_100000210202 [2,0,0,0,0,0|1,1,0]=4 1847 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [2,0,0,0,0,0|2,0,0]=4 1848 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [2,0,0,0,0,0|2,0,0]=4 1849 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [2,0,0,0,0,0|2,0,0]=4 1850 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [2,0,0,0,0,0|2,0,0]=4 1851 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [2,0,0,0,0,0|2,0,0]=4 1852 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [2,0,0,0,0,0|2,0,0]=4 1853 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [2,0,0,0,0,0|2,0,0]=4 1854 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [2,0,0,0,0,0|2,0,0]=4 1855 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [2,0,0,0,0,0|2,0,0]=4 1856 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [2,0,0,0,0,0|2,0,0]=4 1857 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [2,0,0,0,0,0|2,0,0]=4 1858 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [2,0,0,0,0,0|2,0,0]=4 1859 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [2,0,0,0,0,0|2,0,0]=4 1860 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [2,0,0,0,0,0|2,0,0]=4 1861 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [2,0,0,0,0,0|1,0,1]=4 1862 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [2,0,0,0,0,0|1,0,1]=4 1863 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [2,0,0,0,0,0|0,0,1]=3 1864 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [2,0,0,0,0,0|0,0,1]=3 1865 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [2,0,0,0,0,0|0,0,1]=3 1866 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [2,0,0,0,0,0|1,0,1]=4 1867 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [2,0,0,0,0,0|1,0,1]=4 1868 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [2,0,0,0,0,0|0,1,1]=4 1869 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [2,0,0,0,0,0|0,1,1]=4 1870 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [2,0,0,0,0,0|2,0,0]=4 1871 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [2,0,0,0,0,0|2,0,0]=4 1872 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [2,0,0,0,0,0|2,0,0]=4 1873 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [2,0,0,0,0,0|2,0,0]=4 1874 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [2,0,0,0,0,0|2,0,0]=4 1875 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [2,0,0,0,0,0|2,0,0]=4 1876 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [2,0,0,0,0,0|1,0,1]=4 1877 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [2,0,0,0,0,0|1,0,1]=4 1878 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [2,0,0,0,0,0|1,0,1]=4 1879 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [2,0,0,0,0,0|1,0,1]=4 1880 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [2,0,0,0,0,0|1,0,1]=4 1881 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [2,0,0,0,0,0|1,0,1]=4 1882 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [2,0,0,0,0,0|1,0,1]=4 1883 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [2,0,0,0,0,0|1,0,1]=4 1884 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [2,0,0,0,0,0|1,0,1]=4 1885 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [2,0,0,0,0,0|1,0,1]=4 1886 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [2,0,0,0,0,0|1,0,1]=4 1887 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [2,0,0,0,0,0|1,0,1]=4 1888 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [2,0,0,0,0,0|1,0,1]=4 1889 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [2,0,0,0,0,0|1,0,1]=4 1890 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [2,0,0,0,0,0|1,0,1]=4 1891 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [2,0,0,0,0,0|1,0,1]=4 1892 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [2,0,0,0,0,0|1,0,1]=4 1893 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [2,0,0,0,0,0|1,0,1]=4 1894 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [2,0,0,0,0,0|1,0,1]=4 1895 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [2,0,0,0,0,0|1,0,1]=4 1896 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [2,0,0,0,0,0|1,0,1]=4 1897 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [2,0,0,0,0,0|1,0,1]=4 1898 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [2,0,0,0,0,0|1,0,1]=4 1899 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [2,0,0,0,0,0|1,0,1]=4 1900 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [2,0,0,0,0,0|1,0,1]=4 1901 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [2,0,0,0,0,0|1,0,1]=4 1902 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [2,0,0,0,0,0|1,0,1]=4 1903 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [2,0,0,0,0,0|1,0,1]=4 1904 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [2,0,0,0,0,0|1,0,1]=4 1905 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [2,0,0,0,0,0|1,0,1]=4 1906 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [2,0,0,0,0,0|1,0,1]=4 1907 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [2,0,0,0,0,0|1,0,1]=4 1908 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [2,0,0,0,0,0|1,0,1]=4 1909 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [2,0,0,0,0,0|1,0,1]=4 1910 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [2,0,0,0,0,0|1,0,1]=4 1911 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [2,0,0,0,0,0|1,0,1]=4 1912 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [2,0,0,0,0,0|1,0,1]=4 1913 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [2,0,0,0,0,0|1,0,1]=4 1914 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [2,0,0,0,0,0|0,0,2]=4 1915 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [2,0,0,0,0,0|0,0,2]=4 1916 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [2,0,0,0,0,0|0,0,2]=4 1917 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [2,0,0,0,0,0|0,0,2]=4 1918 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [2,0,0,0,0,0|0,0,2]=4 1919 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [2,0,0,0,0,0|0,0,2]=4 1920 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [2,0,0,0,0,0|0,0,2]=4 1921 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [2,0,0,0,0,0|0,0,2]=4 1922 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [2,0,0,0,0,0|0,0,2]=4 1923 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [2,0,0,0,0,0|1,0,1]=4 1924 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [2,0,0,0,0,0|1,0,1]=4 1925 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [2,0,0,0,0,0|1,0,0]=3 1926 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [2,0,0,0,0,0|1,0,0]=3 1927 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [2,0,0,0,0,0|1,0,0]=3 1928 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [2,0,0,0,0,0|1,0,0]=3 1929 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [2,0,0,0,0,0|1,0,0]=3 1930 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [2,0,0,0,0,0|1,0,0]=3 1931 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [2,0,0,0,0,0|2,0,0]=4 1932 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [2,0,0,0,0,0|2,0,0]=4 1933 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [2,0,0,0,0,0|2,0,0]=4 1934 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [2,0,0,0,0,0|2,0,0]=4 1935 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [2,0,0,0,0,0|2,0,0]=4 1936 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [2,0,0,0,0,0|2,0,0]=4 1937 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [2,0,0,0,0,0|2,0,0]=4 1938 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [2,0,0,0,0,0|2,0,0]=4 1939 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [2,0,0,0,0,0|2,0,0]=4 1940 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [2,0,0,0,0,0|2,0,0]=4 1941 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [2,0,0,0,0,0|2,0,0]=4 1942 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [2,0,0,0,0,0|2,0,0]=4 1943 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [2,0,0,0,0,0|2,0,0]=4 1944 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [2,0,0,0,0,0|2,0,0]=4 1945 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [2,0,0,0,0,0|2,0,0]=4 1946 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [2,0,0,0,0,0|2,0,0]=4 1947 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [2,0,0,0,0,0|2,0,0]=4 1948 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [2,0,0,0,0,0|2,0,0]=4 1949 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [2,0,0,0,0,0|2,0,0]=4 1950 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [2,0,0,0,0,0|2,0,0]=4 1951 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [2,0,0,0,0,0|2,0,0]=4 1952 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [2,0,0,0,0,0|2,0,0]=4 1953 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [2,0,0,0,0,0|2,0,0]=4 1954 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [2,0,0,0,0,0|2,0,0]=4 1955 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [2,0,0,0,0,0|2,0,0]=4 1956 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [2,0,0,0,0,0|2,0,0]=4 1957 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [2,0,0,0,0,0|2,0,0]=4 1958 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [2,0,0,0,0,0|2,0,0]=4 1959 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [2,0,0,0,0,0|2,0,0]=4 1960 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [2,0,0,0,0,0|2,0,0]=4 1961 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [2,0,0,0,0,0|2,0,0]=4 1962 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [2,0,0,0,0,0|2,0,0]=4 1963 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [2,0,0,0,0,0|2,0,0]=4 1964 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [2,0,0,0,0,0|0,0,2]=4 1965 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [2,0,0,0,0,0|0,0,2]=4 1966 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [2,0,0,0,0,0|0,0,0]=2 1967 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [2,0,0,0,0,0|0,0,0]=2 1968 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [2,0,0,0,0,0|1,0,0]=3 1969 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [2,0,0,0,0,0|1,0,0]=3 1970 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [2,0,0,0,0,0|1,0,0]=3 1971 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [2,0,0,0,0,0|1,0,0]=3 1972 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [2,0,0,0,0,0|1,0,0]=3 1973 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [2,0,0,0,0,0|1,0,0]=3 1974 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [2,0,0,0,0,0|1,0,1]=4 1975 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [2,0,0,0,0,0|1,0,1]=4 1976 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [2,0,0,0,0,0|1,0,1]=4 1977 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [2,0,0,0,0,0|1,0,1]=4 1978 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [2,0,0,0,0,0|1,0,1]=4 1979 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [2,0,0,0,0,0|2,0,0]=4 1980 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [2,0,0,0,0,0|2,0,0]=4 1981 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [2,0,0,0,0,0|2,0,0]=4 1982 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [2,0,0,0,0,0|2,0,0]=4 1983 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [2,0,0,0,0,0|1,0,0]=3 1984 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [2,0,0,0,0,0|1,0,0]=3 1985 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [2,0,0,0,0,0|1,0,0]=3 1986 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [2,0,0,0,0,0|1,0,0]=3 1987 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [2,0,0,0,0,0|2,0,0]=4 1988 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [2,0,0,0,0,0|2,0,0]=4 1989 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [2,0,0,0,0,0|2,0,0]=4 1990 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [2,0,0,0,0,0|2,0,0]=4 1991 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [2,0,0,0,0,0|2,0,0]=4 1992 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [2,0,0,0,0,0|2,0,0]=4 1993 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [2,0,0,0,0,0|2,0,0]=4 1994 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [2,0,0,0,0,0|2,0,0]=4 1995 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [2,0,0,0,0,0|2,0,0]=4 1996 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [2,0,0,0,0,0|2,0,0]=4 1997 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [2,0,0,0,0,0|2,0,0]=4 1998 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [2,0,0,0,0,0|1,0,0]=3 1999 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [2,0,0,0,0,0|1,0,0]=3 2000 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [2,0,0,0,0,0|2,0,0]=4 2001 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [2,0,0,0,0,0|2,0,0]=4 2002 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [2,0,0,0,0,0|2,0,0]=4 2003 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [2,0,0,0,0,0|2,0,0]=4 2004 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [2,0,0,0,0,0|2,0,0]=4 2005 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [2,0,0,0,0,0|2,0,0]=4 2006 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [2,0,0,0,0,0|2,0,0]=4 2007 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [2,0,0,0,0,0|1,0,0]=3 2008 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [2,0,0,0,0,0|2,0,0]=4 2009 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [2,0,0,0,0,0|1,0,0]=3 2010 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [2,0,0,0,0,0|1,0,0]=3 2011 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [2,0,0,0,0,0|1,0,0]=3 2012 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [2,0,0,0,0,0|2,0,0]=4 2013 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [2,0,0,0,0,0|2,0,0]=4 2014 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [2,0,0,0,0,0|2,0,0]=4 2015 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [2,0,0,0,0,0|2,0,0]=4 2016 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [2,0,0,0,0,0|2,0,0]=4 2017 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [2,0,0,0,0,0|2,0,0]=4 2018 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [2,0,0,0,0,0|2,0,0]=4 2019 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [2,0,0,0,0,0|1,0,0]=3 2020 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [2,0,0,0,0,0|1,0,0]=3 2021 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [2,0,0,0,0,0|2,0,0]=4 2022 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [2,0,0,0,0,0|2,0,0]=4 2023 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [2,0,0,0,0,0|2,0,0]=4 2024 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [2,0,0,0,0,0|2,0,0]=4 2025 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [2,0,0,0,0,0|2,0,0]=4 2026 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [2,0,0,0,0,0|1,0,0]=3 2027 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [2,0,0,0,0,0|1,0,0]=3 2028 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [2,0,0,0,0,0|1,0,0]=3 2029 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [2,0,0,0,0,0|2,0,0]=4 2030 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [2,0,0,0,0,0|2,0,0]=4 2031 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [2,0,0,0,0,0|2,0,0]=4 2032 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [2,0,0,0,0,0|2,0,0]=4 2033 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [2,0,0,0,0,0|2,0,0]=4 2034 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [2,0,0,0,0,0|2,0,0]=4 2035 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [2,0,0,0,0,0|2,0,0]=4 2036 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [2,0,0,0,0,0|2,0,0]=4 2037 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [2,0,0,0,0,0|1,0,0]=3 2038 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [2,0,0,0,0,0|1,0,1]=4 2039 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [2,0,0,0,0,0|1,0,0]=3 2040 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [2,0,0,0,0,0|1,0,0]=3 2041 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [2,0,0,0,0,0|2,0,0]=4 2042 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [2,0,0,0,0,0|2,0,0]=4 2043 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [2,0,0,0,0,0|2,0,0]=4 2044 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [2,0,0,0,0,0|2,0,0]=4 2045 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [2,0,0,0,0,0|2,0,0]=4 2046 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [2,0,0,0,0,0|2,0,0]=4 2047 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [2,0,0,0,0,0|2,0,0]=4 2048 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [2,0,0,0,0,0|2,0,0]=4 2049 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [2,0,0,0,0,0|1,0,0]=3 2050 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [2,0,0,0,0,0|1,0,0]=3 2051 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [2,0,0,0,0,0|2,0,0]=4 2052 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [2,0,0,0,0,0|2,0,0]=4 2053 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [2,0,0,0,0,0|2,0,0]=4 2054 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [2,0,0,0,0,0|2,0,0]=4 2055 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [2,0,0,0,0,0|2,0,0]=4 2056 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [2,0,0,0,0,0|2,0,0]=4 2057 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [2,0,0,0,0,0|2,0,0]=4 2058 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [2,0,0,0,0,0|2,0,0]=4 2059 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [2,0,0,0,0,0|2,0,0]=4 2060 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [2,0,0,0,0,0|2,0,0]=4 2061 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [2,0,0,0,0,0|2,0,0]=4 2062 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [2,0,0,0,0,0|2,0,0]=4 2063 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [2,0,0,0,0,0|2,0,0]=4 2064 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [2,0,0,0,0,0|2,0,0]=4 2065 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [2,0,0,0,0,0|2,0,0]=4 2066 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [2,0,0,0,0,0|2,0,0]=4 2067 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [2,0,0,0,0,0|2,0,0]=4 2068 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [2,0,0,0,0,0|2,0,0]=4 2069 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [2,0,0,0,0,0|2,0,0]=4 2070 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [2,0,0,0,0,0|2,0,0]=4 2071 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [2,0,0,0,0,0|2,0,0]=4 2072 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [2,0,0,0,0,0|2,0,0]=4 2073 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [2,0,0,0,0,0|1,0,0]=3 2074 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [2,0,0,0,0,0|1,0,0]=3 2075 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [2,0,0,0,0,0|1,0,0]=3 2076 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [2,0,0,0,0,0|1,0,0]=3 2077 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [2,0,0,0,0,0|1,0,0]=3 2078 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [2,0,0,0,0,0|1,0,0]=3 2079 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [2,0,0,0,0,0|1,0,0]=3 2080 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [2,0,0,0,0,0|2,0,0]=4 2081 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [2,0,0,0,0,0|2,0,0]=4 2082 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [2,0,0,0,0,0|2,0,0]=4 2083 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [2,0,0,0,0,0|2,0,0]=4 2084 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [2,0,0,0,0,0|2,0,0]=4 2085 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [2,0,0,0,0,0|2,0,0]=4 2086 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [2,0,0,0,0,0|2,0,0]=4 2087 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [2,0,0,0,0,0|2,0,0]=4 2088 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [2,0,0,0,0,0|2,0,0]=4 2089 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [2,0,0,0,0,0|2,0,0]=4 2090 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [2,0,0,0,0,0|2,0,0]=4 2091 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [2,0,0,0,0,0|2,0,0]=4 2092 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [2,0,0,0,0,0|2,0,0]=4 2093 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [2,0,0,0,0,0|2,0,0]=4 2094 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [2,0,0,0,0,0|2,0,0]=4 2095 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [2,0,0,0,0,0|2,0,0]=4 2096 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [2,0,0,0,0,0|2,0,0]=4 2097 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [2,0,0,0,0,0|1,0,0]=3 2098 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [2,0,0,0,0,0|2,0,0]=4 2099 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [2,0,0,0,0,0|2,0,0]=4 2100 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [2,0,0,0,0,0|2,0,0]=4 2101 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [2,0,0,0,0,0|2,0,0]=4 2102 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [2,0,0,0,0,0|2,0,0]=4 2103 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [2,0,0,0,0,0|2,0,0]=4 2104 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [2,0,0,0,0,0|2,0,0]=4 2105 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [2,0,0,0,0,0|2,0,0]=4 2106 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [2,0,0,0,0,0|1,0,1]=4 2107 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [2,0,0,0,0,0|1,0,1]=4 2108 B8R0.5 CC#CC(=O)CC(C)O 1458a_100000763181_100011218427 [2,0,0,0,0,0|1,0,1]=4 2109 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [2,0,0,0,0,0|2,0,0]=4 2110 B8R0.5 CC=CC(=O)CC(C)O 1458a_100000210699_100011218427 [2,0,0,0,0,0|1,0,1]=4 2111 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [2,0,0,0,0,0|0,0,2]=4 2112 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [2,0,0,0,0,0|2,0,0]=4 2113 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [2,0,0,0,0,0|2,0,0]=4 2114 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [2,0,0,0,0,0|1,0,0]=3 2115 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [2,0,0,0,0,0|1,0,0]=3 2116 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [2,0,0,0,0,0|1,0,0]=3 2117 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [2,0,0,0,0,0|1,0,0]=3 2118 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [2,0,0,0,0,0|1,0,0]=3 2119 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [2,0,0,0,0,0|2,0,0]=4 2120 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [2,0,0,0,0,0|2,0,0]=4 2121 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [2,0,0,0,0,0|2,0,0]=4 2122 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [2,0,0,0,0,0|2,0,0]=4 2123 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [2,0,0,0,0,0|2,0,0]=4 2124 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [2,0,0,0,0,0|1,0,1]=4 2125 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [2,0,0,0,0,0|1,0,1]=4 2126 B8R0.5 CCNC(=O)CC(C)C 11a_100015525214_100000210554 [2,0,0,0,0,0|2,0,0]=4 2127 B8R0.5 CCNC(=O)CC(C)C 240690a_100015525214_100000210554 [2,0,0,0,0,0|2,0,0]=4 2128 B8R0.5 CCNC(=O)CC(C)C 527a_100015525214_100000210554 [2,0,0,0,0,0|2,0,0]=4 2129 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [2,0,0,0,0,0|1,0,0]=3 2130 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [2,0,0,0,0,0|0,0,2]=4 2131 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [2,0,0,0,0,0|0,0,2]=4 2132 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [2,0,0,0,0,0|0,0,2]=4 2133 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [2,0,0,0,0,0|2,0,0]=4 2134 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [2,0,0,0,0,0|2,0,0]=4 2135 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [2,0,0,0,0,0|2,0,0]=4 2136 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [2,0,0,0,0,0|2,0,0]=4 2137 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [2,0,0,0,0,0|2,0,0]=4 2138 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [2,0,0,0,0,0|2,0,0]=4 2139 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [2,0,0,0,0,0|1,0,0]=3 2140 B8R0.5 CNNC(=O)C[C@@H](C)O 22a_100016993582_100011933948 [2,0,0,0,0,0|2,0,0]=4 2141 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [2,0,0,0,0,0|2,0,0]=4 2142 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [2,0,0,0,0,0|2,0,0]=4 2143 B8R0.5 C[C@@H](O)CC(=O)CCF 1458a_100011933948_100011217306 [2,0,0,0,0,0|2,0,0]=4 2144 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [2,0,0,0,0,0|2,0,0]=4 2145 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [2,0,0,0,0,0|1,0,0]=3 2146 B8R0.19 C#CC(=O)CC(O)CC 1458a_100000211873_100011218378 [2,0,0,0,0,0|0,0,2]=4 2147 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [2,0,0,0,0,0|0,0,2]=4 2148 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [2,0,0,0,0,0|0,0,2]=4 2149 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [2,0,0,0,0,0|0,0,2]=4 2150 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [2,0,0,0,0,0|0,0,2]=4 2151 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [2,0,0,0,0,0|1,0,0]=3 2152 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [2,0,0,0,0,0|1,0,0]=3 2153 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [2,0,0,0,0,0|0,0,0]=2 2154 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [2,0,0,0,0,0|0,0,0]=2 2155 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [2,0,0,0,0,0|2,0,0]=4 2156 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [2,0,0,0,0,0|2,0,0]=4 2157 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [2,0,0,0,0,0|1,0,0]=3 2158 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [2,0,0,0,0,0|2,0,0]=4 2159 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [2,0,0,0,0,0|2,0,0]=4 2160 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [2,0,0,0,0,0|2,0,0]=4 2161 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [2,0,0,0,0,0|2,0,0]=4 2162 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [2,0,0,0,0,0|2,0,0]=4 2163 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [2,0,0,0,0,0|2,0,0]=4 2164 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [2,0,0,0,0,0|2,0,0]=4 2165 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [2,0,0,0,0,0|2,0,0]=4 2166 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [2,0,0,0,0,0|2,0,0]=4 2167 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [2,0,0,0,0,0|2,0,0]=4 2168 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [2,0,0,0,0,0|2,0,0]=4 2169 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [2,0,0,0,0,0|1,0,0]=3 2170 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [2,0,0,0,0,0|1,0,0]=3 2171 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [2,0,0,0,0,0|1,0,0]=3 2172 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [2,0,0,0,0,0|1,0,0]=3 2173 B8R0.19 CCC(O)CN(C)CC 2230a_100000225621_100011218378 [2,0,0,0,0,0|2,0,0]=4 2174 B8R0.19 CCC(O)CN(C)CC 2230a_100011365200_200000210301 [2,0,0,0,0,0|2,0,0]=4 2175 B8R0.19 CCC(O)CN(C)CC 269982a_100000225621_100011218378 [2,0,0,0,0,0|2,0,0]=4 2176 B8R0.19 CCC(O)CN(C)CC 269982a_100011365200_200000210301 [2,0,0,0,0,0|2,0,0]=4 2177 B8R0.19 CCC(O)CN([13CH3])CC 2230a_100011365200_200025704644 [2,0,0,0,0,0|2,0,0]=4 2178 B8R0.19 CCC(O)CN([13CH3])CC 269982a_100011365200_200025704644 [2,0,0,0,0,0|2,0,0]=4 2179 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [2,0,0,0,0,0|2,0,0]=4 2180 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [2,0,0,0,0,0|2,0,0]=4 2181 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [2,0,0,0,0,0|2,0,0]=4 2182 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [2,0,0,0,0,0|2,0,0]=4 2183 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [2,0,0,0,0,0|2,0,0]=4 2184 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [2,0,0,0,0,0|2,0,0]=4 2185 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [2,0,0,0,0,0|2,0,0]=4 2186 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [2,0,0,0,0,0|2,0,0]=4 2187 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [2,0,0,0,0,0|2,0,0]=4 2188 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [2,0,0,0,0,0|2,0,0]=4 2189 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [2,0,0,0,0,0|2,0,0]=4 2190 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [2,0,0,0,0,0|2,0,0]=4 2191 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000211992_100010269958 [1,1,0,0,0,0|1,0,1]=4 2192 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000696528_100000210303 [1,1,0,0,0,0|1,0,1]=4 2193 B10R0.1 C#CCCCCC(=O)NCC 11a_100015525214_100000696528 [1,1,0,0,0,0|1,0,1]=4 2194 B10R0.1 C#CCCCCC(=O)NCC 240690a_100015525214_100000696528 [1,1,0,0,0,0|1,0,1]=4 2195 B10R0.1 C#CCCCCC(=O)NCC 527a_100015525214_100000696528 [1,1,0,0,0,0|1,0,1]=4 2196 B10R0.1 C#CCCNCC(=O)OCC 34a_100000755551_100000188475 [1,1,0,0,0,0|0,0,2]=4 2197 B10R0.1 C#CCCOCC(=O)OCC 34a_100011215631_100000188475 [1,1,0,0,0,0|0,0,2]=4 2198 B10R0.1 C#CCCSCC(=O)OCC 62a_100000188475_100000688953 [1,1,0,0,0,0|0,0,2]=4 2199 B10R0.1 C#CCCSCC(=O)OCC 62a_100000688953_100000188475 [1,1,0,0,0,0|0,0,2]=4 2200 B10R0.1 C#CCNCCC(=O)OCC 34a_100000212058_100000765890 [1,1,0,0,0,0|0,0,2]=4 2201 B10R0.1 C#CCOCCC(=O)OCC 34a_100000210247_100000765890 [1,1,0,0,0,0|0,0,2]=4 2202 B10R0.1 C#CCSCCC(=O)OCC 62a_100000038162_100000765890 [1,1,0,0,0,0|0,0,2]=4 2203 B10R0.1 C/C=C/COCC(=O)OCC 34a_100016270725_100000188475 [1,1,0,0,0,0|0,0,2]=4 2204 B10R0.1 C/C=C/CSCC(=O)OCC 62a_100000188475_100102629194 [1,1,0,0,0,0|0,0,2]=4 2205 B10R0.1 C/C=C/CSCC(=O)OCC 62a_100102629194_100000188475 [1,1,0,0,0,0|0,0,2]=4 2206 B10R0.1 C=CCCCCC(=O)CCC 1458a_100000211992_100011215482 [1,1,0,0,0,0|1,0,1]=4 2207 B10R0.1 C=CCCCCC(=O)CCC 1458a_100011215552_100000210303 [1,1,0,0,0,0|1,0,1]=4 2208 B10R0.1 C=CCCCCC(=O)NCC 11a_100015525214_100011215552 [1,1,0,0,0,0|1,0,1]=4 2209 B10R0.1 C=CCCCCC(=O)NCC 240690a_100015525214_100011215552 [1,1,0,0,0,0|1,0,1]=4 2210 B10R0.1 C=CCCCCC(=O)NCC 527a_100015525214_100011215552 [1,1,0,0,0,0|1,0,1]=4 2211 B10R0.1 C=CCCNCC(=O)OCC 2230a_100015191253_100000188475 [1,1,0,0,0,0|0,0,2]=4 2212 B10R0.1 C=CCCOCC(=O)OCC 34a_100011205117_100000188475 [1,1,0,0,0,0|0,0,2]=4 2213 B10R0.1 C=CCCSCC(=O)OCC 62a_100000188475_100000754431 [1,1,0,0,0,0|0,0,2]=4 2214 B10R0.1 C=CCCSCC(=O)OCC 62a_100000754431_100000188475 [1,1,0,0,0,0|0,0,2]=4 2215 B10R0.1 C=CCNCCC(=O)OCC 2230a_100020586998_100011206558 [1,1,0,0,0,0|0,0,2]=4 2216 B10R0.1 C=CCOCCC(=O)OCC 34a_200000210373_100000765890 [1,1,0,0,0,0|0,0,2]=4 2217 B10R0.1 C=CCSCCC(=O)OCC 62a_100000210623_100000765890 [1,1,0,0,0,0|0,0,2]=4 2218 B10R0.1 C=CCSCCC(=O)OCC 62a_100000765890_100000210623 [1,1,0,0,0,0|0,0,2]=4 2219 B10R0.1 C=COC(=O)CNCCCC 2230a_100000102301_100000036128 [1,1,0,0,0,0|0,0,2]=4 2220 B10R0.1 C=COC(=O)COCCCC 34a_100000210227_100000036128 [1,1,0,0,0,0|0,0,2]=4 2221 B10R0.1 C=COC(=O)CSCCCC 62a_100000036128_100000210210 [1,1,0,0,0,0|0,0,2]=4 2222 B10R0.1 C=COC(=O)CSCCCC 62a_100000210211_100000036128 [1,1,0,0,0,0|0,0,2]=4 2223 B10R0.1 CC#CC(=O)CCCCCC 1458a_100000763181_100000210757 [1,1,0,0,0,0|1,0,1]=4 2224 B10R0.1 CC#CC(=O)CCCCCF 1458a_100000763181_100000729378 [1,1,0,0,0,0|1,0,1]=4 2225 B10R0.1 CC#CC(=O)CCCCCO 1458a_100000763181_100000746330 [1,1,0,0,0,0|1,0,1]=4 2226 B10R0.1 CC#CC(=O)CCCCOC 1458a_100000763181_100000755781 [1,1,0,0,0,0|1,0,1]=4 2227 B10R0.1 CC#CC(=O)CCCOCC 1458a_100000763181_100012232248 [1,1,0,0,0,0|1,0,1]=4 2228 B10R0.1 CC#CC(=O)CCOCCC 1458a_100000763181_100011215938 [1,1,0,0,0,0|1,0,1]=4 2229 B10R0.1 CC#CC(=O)COCCCC 1458a_100000763181_100011995733 [1,1,0,0,0,0|1,0,1]=4 2230 B10R0.1 CC#CCNCC(=O)OCC 2230a_100000685387_100000188475 [1,1,0,0,0,0|0,0,2]=4 2231 B10R0.1 CC#CCNCC(=O)OCC 34a_100000685387_100000188475 [1,1,0,0,0,0|0,0,2]=4 2232 B10R0.1 CC#CCOCC(=O)OCC 34a_100000761923_100000188475 [1,1,0,0,0,0|0,0,2]=4 2233 B10R0.1 CC#CCSCC(=O)OCC 62a_100000188475_100000748600 [1,1,0,0,0,0|0,0,2]=4 2234 B10R0.1 CC#CCSCC(=O)OCC 62a_100000748600_100000188475 [1,1,0,0,0,0|0,0,2]=4 2235 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [1,1,0,0,0,0|1,0,1]=4 2236 B10R0.1 CC/C=C\CNC(C)CCC 2230a_100000741246_100103147603 [1,1,0,0,0,0|2,0,0]=4 2237 B10R0.1 CC/C=C\COC(C)CCC 34a_100000764384_100103147603 [1,1,0,0,0,0|2,0,0]=4 2238 B10R0.1 CC/C=C\COC(C)CCC 34a_100016268518_100000766640 [1,1,0,0,0,0|2,0,0]=4 2239 B10R0.1 CC/C=C\COC(C)CCC 7a_100000764384_100103147603 [1,1,0,0,0,0|2,0,0]=4 2240 B10R0.1 CC/C=C\CSC(C)CCC 62a_100000766640_100103147603 [1,1,0,0,0,0|2,0,0]=4 2241 B10R0.1 CC/C=C\CSC(C)CCC 62a_100103147603_100000766640 [1,1,0,0,0,0|2,0,0]=4 2242 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [1,1,0,0,0,0|1,0,1]=4 2243 B10R0.1 CC=CC(=O)CCCCCF 1458a_100000210699_100000729378 [1,1,0,0,0,0|1,0,1]=4 2244 B10R0.1 CC=CC(=O)CCCCCO 1458a_100000210699_100000746330 [1,1,0,0,0,0|1,0,1]=4 2245 B10R0.1 CC=CC(=O)CCCCOC 1458a_100000210699_100000755781 [1,1,0,0,0,0|1,0,1]=4 2246 B10R0.1 CC=CC(=O)CCCOCC 1458a_100000210699_100012232248 [1,1,0,0,0,0|1,0,1]=4 2247 B10R0.1 CC=CC(=O)CCOCCC 1458a_100000210699_100011215938 [1,1,0,0,0,0|1,0,1]=4 2248 B10R0.1 CC=CC(=O)COCCCC 1458a_100000210699_100011995733 [1,1,0,0,0,0|1,0,1]=4 2249 B10R0.1 CC=CC(=O)NCCCCC 11a_100000209983_100000210699 [1,1,0,0,0,0|1,0,1]=4 2250 B10R0.1 CC=CC(=O)NCCCCC 1626a_100000209983_100000210699 [1,1,0,0,0,0|1,0,1]=4 2251 B10R0.1 CC=CC(=O)NCCCCC 240690a_100000209983_100000210699 [1,1,0,0,0,0|1,0,1]=4 2252 B10R0.1 CC=CCSCC(=O)OCC 62a_100000070051_100000188475 [1,1,0,0,0,0|0,0,2]=4 2253 B10R0.1 CC=CCSCC(=O)OCC 62a_100000188475_100000070051 [1,1,0,0,0,0|0,0,2]=4 2254 B10R0.1 CCC/C=C/CC(=O)CCC 1458a_200016266809_100000210303 [1,1,0,0,0,0|1,0,1]=4 2255 B10R0.1 CCC/C=C/CC(=O)NCC 11a_100015525214_200016266809 [1,1,0,0,0,0|1,0,1]=4 2256 B10R0.1 CCC/C=C/CC(=O)NCC 240690a_100015525214_200016266809 [1,1,0,0,0,0|1,0,1]=4 2257 B10R0.1 CCC/C=C/CC(=O)NCC 527a_100015525214_200016266809 [1,1,0,0,0,0|1,0,1]=4 2258 B10R0.1 CCCC(=O)CCCCC#N 1458a_100000211992_100000211819 [1,1,0,0,0,0|1,0,1]=4 2259 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [1,1,0,0,0,0|1,0,0]=3 2260 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [1,1,0,0,0,0|1,0,0]=3 2261 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [1,1,0,0,0,0|1,0,0]=3 2262 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [1,1,0,0,0,0|1,0,0]=3 2263 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [1,1,0,0,0,0|1,0,0]=3 2264 B10R0.1 CCCC(=O)CCOCCO 1458a_100000211992_100011215305 [1,1,0,0,0,0|2,0,0]=4 2265 B10R0.1 CCCC(=O)CCOCCO 1458a_100011229844_100000210303 [1,1,0,0,0,0|2,0,0]=4 2266 B10R0.1 CCCC(=O)CNCCCF 2230a_100015189416_100000747444 [1,1,0,0,0,0|2,0,0]=4 2267 B10R0.1 CCCC(=O)CNCCOC 2230a_100000209980_100000747444 [1,1,0,0,0,0|2,0,0]=4 2268 B10R0.1 CCCC(=O)CNCCSC 2230a_100020590264_100000747444 [1,1,0,0,0,0|2,0,0]=4 2269 B10R0.1 CCCC(=O)COCCOC 1458a_100000211095_100000210303 [1,1,0,0,0,0|2,0,0]=4 2270 B10R0.1 CCCC(=O)COCCSC 7a_100000230434_100000747444 [1,1,0,0,0,0|2,0,0]=4 2271 B10R0.1 CCCC(=O)CSCCCF 62a_100000747444_100011934791 [1,1,0,0,0,0|2,0,0]=4 2272 B10R0.1 CCCC(=O)CSCCCF 62a_100011934791_100000747444 [1,1,0,0,0,0|2,0,0]=4 2273 B10R0.1 CCCC(=O)CSCCCO 62a_100000747444_100011215043 [1,1,0,0,0,0|2,0,0]=4 2274 B10R0.1 CCCC(=O)CSCCCO 62a_100011215043_100000747444 [1,1,0,0,0,0|2,0,0]=4 2275 B10R0.1 CCCC(=O)CSCCOC 62a_100000233755_100000747444 [1,1,0,0,0,0|2,0,0]=4 2276 B10R0.1 CCCC(=O)CSCCOC 62a_100000747444_100000233755 [1,1,0,0,0,0|2,0,0]=4 2277 B10R0.1 CCCC(=O)CSCCSC 62a_100000212216_100000747444 [1,1,0,0,0,0|2,0,0]=4 2278 B10R0.1 CCCC(=O)CSCCSC 62a_100000747444_100000751147 [1,1,0,0,0,0|2,0,0]=4 2279 B10R0.1 CCCC(=O)CSCOCC 62a_100000739092_100000747444 [1,1,0,0,0,0|2,0,0]=4 2280 B10R0.1 CCCC(=O)CSCOCC 62a_100000747444_100000739092 [1,1,0,0,0,0|2,0,0]=4 2281 B10R0.1 CCCC(=O)NCCCCO 240690a_100000750430_100000211992 [1,1,0,0,0,0|2,0,0]=4 2282 B10R0.1 CCCC(=O)NCCCCO 527a_100000750430_100000211992 [1,1,0,0,0,0|2,0,0]=4 2283 B10R0.1 CCCC(=O)NCCCOC 1626a_100150723488_100000211992 [1,1,0,0,0,0|2,0,0]=4 2284 B10R0.1 CCCC(=O)NCCCOC 240690a_100150723488_100000211992 [1,1,0,0,0,0|2,0,0]=4 2285 B10R0.1 CCCC(=O)NCCCOC 527a_100150723488_100000211992 [1,1,0,0,0,0|2,0,0]=4 2286 B10R0.1 CCCC(=O)NCCCSC 11a_100000749238_100000211992 [1,1,0,0,0,0|2,0,0]=4 2287 B10R0.1 CCCC(=O)NCCCSC 1626a_100000749238_100000211992 [1,1,0,0,0,0|2,0,0]=4 2288 B10R0.1 CCCC(=O)NCCCSC 240690a_100000749238_100000211992 [1,1,0,0,0,0|2,0,0]=4 2289 B10R0.1 CCCC(=O)NCCCSC 527a_100000749238_100000211992 [1,1,0,0,0,0|2,0,0]=4 2290 B10R0.1 CCCC(=O)NCCOCC 11a_100011200944_100000211992 [1,1,0,0,0,0|2,0,0]=4 2291 B10R0.1 CCCC(=O)NCCOCC 1626a_102516460346_100000211992 [1,1,0,0,0,0|2,0,0]=4 2292 B10R0.1 CCCC(=O)NCCOCC 240690a_100011200944_100000211992 [1,1,0,0,0,0|2,0,0]=4 2293 B10R0.1 CCCC(=O)NCCOCC 527a_100011200944_100000211992 [1,1,0,0,0,0|2,0,0]=4 2294 B10R0.1 CCCC(=O)NCCSCC 11a_100000106463_100000211992 [1,1,0,0,0,0|2,0,0]=4 2295 B10R0.1 CCCC(=O)NCCSCC 1626a_100000106463_100000211992 [1,1,0,0,0,0|2,0,0]=4 2296 B10R0.1 CCCC(=O)NCCSCC 240690a_100000106463_100000211992 [1,1,0,0,0,0|2,0,0]=4 2297 B10R0.1 CCCC(=O)NCCSCC 527a_100000106463_100000211992 [1,1,0,0,0,0|2,0,0]=4 2298 B10R0.1 CCCC(C)CCCOCC 34a_100011713154_100000210202 [1,1,0,0,0,0|1,0,1]=4 2299 B10R0.1 CCCC(C)CCCOCC 7a_100011713154_100000210202 [1,1,0,0,0,0|1,0,1]=4 2300 B10R0.1 CCCC(C)CCOCCF 34a_100011217855_100011217306 [1,1,0,0,0,0|1,0,1]=4 2301 B10R0.1 CCCC(C)CCOCCF 7a_100011217855_100011217306 [1,1,0,0,0,0|1,0,1]=4 2302 B10R0.1 CCCC(C)CCOCCO 34a_100011217855_100000211926 [1,1,0,0,0,0|1,0,1]=4 2303 B10R0.1 CCCC(C)CCOCCO 7a_100011217855_100000211926 [1,1,0,0,0,0|1,0,1]=4 2304 B10R0.1 CCCC(C)CCOCSC 34a_100011217855_100011218213 [1,1,0,0,0,0|1,0,1]=4 2305 B10R0.1 CCCC(C)CSCOCC 62a_100000739092_100011216630 [1,1,0,0,0,0|1,0,1]=4 2306 B10R0.1 CCCC(C)CSCOCC 62a_100011216630_100000739092 [1,1,0,0,0,0|1,0,1]=4 2307 B10R0.1 CCCC(C)NCCOCC 2230a_100000741246_100011215890 [1,1,0,0,0,0|1,0,1]=4 2308 B10R0.1 CCCC(C)NCCOCC 2230a_102516460346_100000766640 [1,1,0,0,0,0|1,0,1]=4 2309 B10R0.1 CCCC(C)NCCOCC 270004a_102516460346_100000211909 [1,1,0,0,0,0|1,0,1]=4 2310 B10R0.1 CCCC(C)NCCOCC 34a_102516460346_100000766640 [1,1,0,0,0,0|1,0,1]=4 2311 B10R0.1 CCCC(C)OCCOCC 34a_100000210136_100000766640 [1,1,0,0,0,0|1,0,1]=4 2312 B10R0.1 CCCC(C)OCCOCC 34a_100000764384_100000210147 [1,1,0,0,0,0|1,0,1]=4 2313 B10R0.1 CCCC(C)OCCOCC 7a_100000210136_100000766640 [1,1,0,0,0,0|1,0,1]=4 2314 B10R0.1 CCCC(C)OCCOCC 7a_100000764384_100011215890 [1,1,0,0,0,0|1,0,1]=4 2315 B10R0.1 CCCC(C)SCCOCC 62a_100000210147_100000766640 [1,1,0,0,0,0|1,0,1]=4 2316 B10R0.1 CCCC(C)SCCOCC 62a_100000766640_100011215890 [1,1,0,0,0,0|1,0,1]=4 2317 B10R0.1 CCCCC=CC(=O)CCC 1458a_100016266645_100000210303 [1,1,0,0,0,0|1,0,1]=4 2318 B10R0.1 CCCCC=CC(=O)NCC 11a_100015525214_100016266645 [1,1,0,0,0,0|1,0,1]=4 2319 B10R0.1 CCCCC=CC(=O)NCC 240690a_100015525214_100016266645 [1,1,0,0,0,0|1,0,1]=4 2320 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [1,1,0,0,0,0|1,0,0]=3 2321 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [1,1,0,0,0,0|1,0,0]=3 2322 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [1,1,0,0,0,0|2,0,0]=4 2323 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [1,1,0,0,0,0|2,0,0]=4 2324 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [1,1,0,0,0,0|2,0,0]=4 2325 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [1,1,0,0,0,0|2,0,0]=4 2326 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [1,1,0,0,0,0|2,0,0]=4 2327 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [1,1,0,0,0,0|1,0,0]=3 2328 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [1,1,0,0,0,0|1,0,0]=3 2329 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [1,1,0,0,0,0|1,0,0]=3 2330 B10R0.1 CCCCCCC(=O)NNC 22a_100016993582_100102632555 [1,1,0,0,0,0|2,0,0]=4 2331 B10R0.1 CCCCCCC(C)OCC 34a_100000210265_100000210202 [1,1,0,0,0,0|1,0,1]=4 2332 B10R0.1 CCCCCCC(C)OCC 34a_100121572206_100011215978 [1,1,0,0,0,0|1,0,1]=4 2333 B10R0.1 CCCCCCC(C)OCC 7a_100000210265_100000210202 [1,1,0,0,0,0|1,0,1]=4 2334 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [1,1,0,0,0,0|1,0,0]=3 2335 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [1,1,0,0,0,0|1,0,0]=3 2336 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [1,1,0,0,0,0|1,0,0]=3 2337 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [1,1,0,0,0,0|1,0,0]=3 2338 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [1,1,0,0,0,0|2,0,0]=4 2339 B10R0.1 CCCCCNC(=O)CNC 2230a_106832991635_100000230301 [1,1,0,0,0,0|2,0,0]=4 2340 B10R0.1 CCCCCNC(=O)CNC 34a_100102657272_100000230301 [1,1,0,0,0,0|2,0,0]=4 2341 B10R0.1 CCCCCNC(=O)CNC 7a_106832991635_100000230301 [1,1,0,0,0,0|2,0,0]=4 2342 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [1,1,0,0,0,0|2,0,0]=4 2343 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [1,1,0,0,0,0|2,0,0]=4 2344 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [1,1,0,0,0,0|2,0,0]=4 2345 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [1,1,0,0,0,0|2,0,0]=4 2346 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [1,1,0,0,0,0|2,0,0]=4 2347 B10R0.1 CCCCCNC(=O)CSC 11a_100000209983_100000184570 [1,1,0,0,0,0|2,0,0]=4 2348 B10R0.1 CCCCCNC(=O)CSC 1626a_100000209983_100000184570 [1,1,0,0,0,0|2,0,0]=4 2349 B10R0.1 CCCCCNC(=O)CSC 240690a_100000209983_100000184570 [1,1,0,0,0,0|2,0,0]=4 2350 B10R0.1 CCCCCNC(=O)CSC 527a_100000209983_100000184570 [1,1,0,0,0,0|2,0,0]=4 2351 B10R0.1 CCCCCNC(=O)CSC 62a_100000230301_200000210301 [1,1,0,0,0,0|2,0,0]=4 2352 B10R0.1 CCCCCNC(=O)CSC 62a_200000210301_100000230301 [1,1,0,0,0,0|2,0,0]=4 2353 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_100000230301_200025704644 [1,1,0,0,0,0|2,0,0]=4 2354 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_200025704644_100000230301 [1,1,0,0,0,0|2,0,0]=4 2355 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [1,1,0,0,0,0|1,0,0]=3 2356 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [1,1,0,0,0,0|1,0,0]=3 2357 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [1,1,0,0,0,0|1,0,0]=3 2358 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [1,1,0,0,0,0|1,0,0]=3 2359 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [1,1,0,0,0,0|1,0,0]=3 2360 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [1,1,0,0,0,0|1,0,0]=3 2361 B10R0.1 CCCCCNC(=O)NNC 273464a_100000209983_100016993582 [1,1,0,0,0,0|2,0,0]=4 2362 B10R0.1 CCCCCNC(=O)NNC 512a_100000209983_100016993582 [1,1,0,0,0,0|2,0,0]=4 2363 B10R0.1 CCCCCNC(=O)NNC 512a_100016993582_100000209983 [1,1,0,0,0,0|2,0,0]=4 2364 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [1,1,0,0,0,0|1,0,0]=3 2365 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [1,1,0,0,0,0|1,0,0]=3 2366 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [1,1,0,0,0,0|1,0,0]=3 2367 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [1,1,0,0,0,0|1,0,0]=3 2368 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [1,1,0,0,0,0|1,0,0]=3 2369 B10R0.1 CCCCNCC(=O)NCO 2230a_100000102301_100000185155 [1,1,0,0,0,0|2,0,0]=4 2370 B10R0.1 CCCCNCC(=O)NCO 7a_106832991798_100000185155 [1,1,0,0,0,0|2,0,0]=4 2371 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [1,1,0,0,0,0|0,0,0]=2 2372 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [1,1,0,0,0,0|0,0,0]=2 2373 B10R0.1 CCCCNNC(=O)CCC 22a_100025702795_100000211992 [1,1,0,0,0,0|2,0,0]=4 2374 B10R0.1 CCCCNNC(=O)NCC 273464a_100015525214_100025702795 [1,1,0,0,0,0|2,0,0]=4 2375 B10R0.1 CCCCNNC(=O)NCC 512a_100015525214_100025702795 [1,1,0,0,0,0|2,0,0]=4 2376 B10R0.1 CCCCNNC(=O)NCC 512a_100025702795_100015525214 [1,1,0,0,0,0|2,0,0]=4 2377 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [1,1,0,0,0,0|1,0,0]=3 2378 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [1,1,0,0,0,0|1,0,0]=3 2379 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [1,1,0,0,0,0|1,0,0]=3 2380 B10R0.1 CCCCOCC(=O)CCF 1458a_100000757543_100011217306 [1,1,0,0,0,0|2,0,0]=4 2381 B10R0.1 CCCCOCC(=O)CCO 1458a_100000757543_100000211926 [1,1,0,0,0,0|2,0,0]=4 2382 B10R0.1 CCCCOCC(=O)CCO 1458a_100011216618_100011995733 [1,1,0,0,0,0|2,0,0]=4 2383 B10R0.1 CCCCOCC(=O)COC 1458a_100000210968_100011995733 [1,1,0,0,0,0|2,0,0]=4 2384 B10R0.1 CCCCOCC(=O)CSC 1458a_100000184570_100011995733 [1,1,0,0,0,0|2,0,0]=4 2385 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [1,1,0,0,0,0|1,0,0]=3 2386 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [1,1,0,0,0,0|1,0,0]=3 2387 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [1,1,0,0,0,0|1,0,0]=3 2388 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [1,1,0,0,0,0|1,0,0]=3 2389 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [1,1,0,0,0,0|1,0,0]=3 2390 B10R0.1 CCCCOCC(=O)NCO 34a_100000210227_100000185155 [1,1,0,0,0,0|2,0,0]=4 2391 B10R0.1 CCCCOCC(=O)NCO 7a_100000210227_100000185155 [1,1,0,0,0,0|2,0,0]=4 2392 B10R0.1 CCCCOCC(=O)NNC 22a_100016993582_100000757543 [1,1,0,0,0,0|2,0,0]=4 2393 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [1,1,0,0,0,0|0,0,0]=2 2394 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [1,1,0,0,0,0|0,0,0]=2 2395 B10R0.1 CCCCOCC(C)OCC 34a_100011217071_100000210202 [1,1,0,0,0,0|1,0,1]=4 2396 B10R0.1 CCCCOCC(C)OCC 7a_100011217071_100000210202 [1,1,0,0,0,0|1,0,1]=4 2397 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [1,1,0,0,0,0|1,0,0]=3 2398 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [1,1,0,0,0,0|1,0,0]=3 2399 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [1,1,0,0,0,0|1,0,0]=3 2400 B10R0.1 CCCCSCC(=O)CCF 1458a_100000191162_100011217306 [1,1,0,0,0,0|2,0,0]=4 2401 B10R0.1 CCCCSCC(=O)CCO 1458a_100000191162_100000211926 [1,1,0,0,0,0|2,0,0]=4 2402 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [1,1,0,0,0,0|1,0,0]=3 2403 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [1,1,0,0,0,0|1,0,0]=3 2404 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [1,1,0,0,0,0|1,0,0]=3 2405 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [1,1,0,0,0,0|1,0,0]=3 2406 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [1,1,0,0,0,0|1,0,0]=3 2407 B10R0.1 CCCCSCC(=O)NCO 62a_100000185155_100000210210 [1,1,0,0,0,0|2,0,0]=4 2408 B10R0.1 CCCCSCC(=O)NCO 62a_100000210211_100000185155 [1,1,0,0,0,0|2,0,0]=4 2409 B10R0.1 CCCCSCC(=O)NNC 22a_100016993582_100000191162 [1,1,0,0,0,0|2,0,0]=4 2410 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [1,1,0,0,0,0|0,0,0]=2 2411 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [1,1,0,0,0,0|0,0,0]=2 2412 B10R0.1 CCCNCCC(=O)NCC 34a_100025743525_100000210303 [1,1,0,0,0,0|1,0,0]=3 2413 B10R0.1 CCCNN=CC(=O)OCC 4a_100000740057_100000742314 [1,1,0,0,0,0|1,0,1]=4 2414 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [1,1,0,0,0,0|1,0,0]=3 2415 B10R0.1 CCCOCCC(=O)CCO 1458a_100011216618_100011215938 [1,1,0,0,0,0|2,0,0]=4 2416 B10R0.1 CCCOCCC(=O)COC 1458a_100000210968_100011215938 [1,1,0,0,0,0|2,0,0]=4 2417 B10R0.1 CCCOCCC(=O)CSC 1458a_100000184570_100011215938 [1,1,0,0,0,0|2,0,0]=4 2418 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [1,1,0,0,0,0|0,0,0]=2 2419 B10R0.1 CCCOCCC(C)CCC 34a_100011217855_100000210303 [1,1,0,0,0,0|1,0,1]=4 2420 B10R0.1 CCCOCCC(C)CCC 7a_100011217855_100000210303 [1,1,0,0,0,0|1,0,1]=4 2421 B10R0.1 CCCOCC[C@@H](N)CCC 34a_100015193777_100000210303 [1,1,0,0,0,0|1,0,1]=4 2422 B10R0.1 CCCOCOC(=O)CCC 34a_100000210258_100000034017 [1,1,0,0,0,0|2,0,0]=4 2423 B10R0.1 CCCSCCC(=O)NCC 62a_100000210303_100000737597 [1,1,0,0,0,0|1,0,0]=3 2424 B10R0.1 CCCSCCC(=O)NCC 62a_100000737597_100000210303 [1,1,0,0,0,0|1,0,0]=3 2425 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [1,1,0,0,0,0|0,0,0]=2 2426 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [1,1,0,0,0,0|0,0,0]=2 2427 B10R0.1 CCCSCOC(=O)CCC 62a_100000210303_100000034017 [1,1,0,0,0,0|2,0,0]=4 2428 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [1,1,0,0,0,0|1,0,0]=3 2429 B10R0.1 CCC[C@H](N)CCOCCF 34a_100015193777_100011217306 [1,1,0,0,0,0|1,0,1]=4 2430 B10R0.1 CCC[C@H](N)CCOCCO 34a_100015193777_100000211926 [1,1,0,0,0,0|1,0,1]=4 2431 B10R0.1 CCC[C@H](N)CCOCSC 34a_100015193777_100011218213 [1,1,0,0,0,0|1,0,1]=4 2432 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [1,1,0,0,0,0|1,0,0]=3 2433 B10R0.1 CCNC(=O)CCNCCF 34a_100025743525_100011217306 [1,1,0,0,0,0|2,0,0]=4 2434 B10R0.1 CCNC(=O)CCNCCO 2230a_100016997473_100000737597 [1,1,0,0,0,0|2,0,0]=4 2435 B10R0.1 CCNC(=O)CCNCCO 34a_100025743525_100000211926 [1,1,0,0,0,0|2,0,0]=4 2436 B10R0.1 CCNC(=O)CCNCSC 34a_100025743525_100011218213 [1,1,0,0,0,0|2,0,0]=4 2437 B10R0.1 CCNC(=O)CCOCCO 240690a_100015525214_100011229844 [1,1,0,0,0,0|2,0,0]=4 2438 B10R0.1 CCNC(=O)CCSCCF 62a_100000737597_100011217306 [1,1,0,0,0,0|2,0,0]=4 2439 B10R0.1 CCNC(=O)CCSCCF 62a_100011217306_100000737597 [1,1,0,0,0,0|2,0,0]=4 2440 B10R0.1 CCNC(=O)CCSCCO 62a_100000211926_100000737597 [1,1,0,0,0,0|2,0,0]=4 2441 B10R0.1 CCNC(=O)CCSCCO 62a_100000737597_100000211926 [1,1,0,0,0,0|2,0,0]=4 2442 B10R0.1 CCNC(=O)CCSCOC 62a_100000737597_100000766300 [1,1,0,0,0,0|2,0,0]=4 2443 B10R0.1 CCNC(=O)CCSCOC 62a_100000766300_100000737597 [1,1,0,0,0,0|2,0,0]=4 2444 B10R0.1 CCNC(=O)CCSCSC 62a_100000737597_100011218213 [1,1,0,0,0,0|2,0,0]=4 2445 B10R0.1 CCNC(=O)CCSCSC 62a_100011218213_100000737597 [1,1,0,0,0,0|2,0,0]=4 2446 B10R0.1 CCNC(=O)CNCCCF 2230a_100015189416_100000183381 [1,1,0,0,0,0|2,0,0]=4 2447 B10R0.1 CCNC(=O)CNCCCF 2230a_100016988866_100011934791 [1,1,0,0,0,0|2,0,0]=4 2448 B10R0.1 CCNC(=O)CNCCCF 34a_100015189416_100000183381 [1,1,0,0,0,0|2,0,0]=4 2449 B10R0.1 CCNC(=O)CNCCCO 2230a_100016988866_100000230001 [1,1,0,0,0,0|2,0,0]=4 2450 B10R0.1 CCNC(=O)CNCCOC 2230a_100000209980_100000183381 [1,1,0,0,0,0|2,0,0]=4 2451 B10R0.1 CCNC(=O)CNCCOC 2230a_100016988866_100011201679 [1,1,0,0,0,0|2,0,0]=4 2452 B10R0.1 CCNC(=O)CNCCSC 2230a_100016988866_100000751147 [1,1,0,0,0,0|2,0,0]=4 2453 B10R0.1 CCNC(=O)CNCCSC 2230a_100020590264_100000183381 [1,1,0,0,0,0|2,0,0]=4 2454 B10R0.1 CCNC(=O)COCCCBr 34a_100011217188_100000183381 [1,1,0,0,0,0|2,0,0]=4 2455 B10R0.1 CCNC(=O)COCCCCl 34a_100000230001_100000183381 [1,1,0,0,0,0|2,0,0]=4 2456 B10R0.1 CCNC(=O)COCCCF 34a_100000759539_100000183381 [1,1,0,0,0,0|2,0,0]=4 2457 B10R0.1 CCNC(=O)COCCCN 34a_100000182051_100000183381 [1,1,0,0,0,0|2,0,0]=4 2458 B10R0.1 CCNC(=O)COCCOC 11a_100015525214_100000211095 [1,1,0,0,0,0|2,0,0]=4 2459 B10R0.1 CCNC(=O)COCCOC 240690a_100015525214_100000211095 [1,1,0,0,0,0|2,0,0]=4 2460 B10R0.1 CCNC(=O)COCCOC 34a_100000210237_100000183381 [1,1,0,0,0,0|2,0,0]=4 2461 B10R0.1 CCNC(=O)COCCOC 527a_100015525214_100000211095 [1,1,0,0,0,0|2,0,0]=4 2462 B10R0.1 CCNC(=O)COCCSC 34a_100000230434_100000183381 [1,1,0,0,0,0|2,0,0]=4 2463 B10R0.1 CCNC(=O)COCCSC 7a_100000230434_100000183381 [1,1,0,0,0,0|2,0,0]=4 2464 B10R0.1 CCNC(=O)CSCCCF 62a_100000183381_100011934791 [1,1,0,0,0,0|2,0,0]=4 2465 B10R0.1 CCNC(=O)CSCCCF 62a_100011934791_100000183381 [1,1,0,0,0,0|2,0,0]=4 2466 B10R0.1 CCNC(=O)CSCCCO 62a_100000183381_100011215043 [1,1,0,0,0,0|2,0,0]=4 2467 B10R0.1 CCNC(=O)CSCCCO 62a_100011215043_100000183381 [1,1,0,0,0,0|2,0,0]=4 2468 B10R0.1 CCNC(=O)CSCCOC 62a_100000183381_100000233755 [1,1,0,0,0,0|2,0,0]=4 2469 B10R0.1 CCNC(=O)CSCCOC 62a_100000233755_100000183381 [1,1,0,0,0,0|2,0,0]=4 2470 B10R0.1 CCNC(=O)CSCCSC 62a_100000183381_100000751147 [1,1,0,0,0,0|2,0,0]=4 2471 B10R0.1 CCNC(=O)CSCCSC 62a_100000212216_100000183381 [1,1,0,0,0,0|2,0,0]=4 2472 B10R0.1 CCNC(=O)CSCOCC 62a_100000183381_100000739092 [1,1,0,0,0,0|2,0,0]=4 2473 B10R0.1 CCNC(=O)CSCOCC 62a_100000739092_100000183381 [1,1,0,0,0,0|2,0,0]=4 2474 B10R0.1 CCNC(=O)NCCCCO 2708a_100000750430_100015525214 [1,1,0,0,0,0|2,0,0]=4 2475 B10R0.1 CCNC(=O)NCCCCO 2708a_100015525214_100000750430 [1,1,0,0,0,0|2,0,0]=4 2476 B10R0.1 CCNC(=O)NCCCCO 273464a_100000750430_100015525214 [1,1,0,0,0,0|2,0,0]=4 2477 B10R0.1 CCNC(=O)NCCCCO 273464a_100015525214_100000750430 [1,1,0,0,0,0|2,0,0]=4 2478 B10R0.1 CCNC(=O)NCCCCO 512a_100000750430_100015525214 [1,1,0,0,0,0|2,0,0]=4 2479 B10R0.1 CCNC(=O)NCCCCO 512a_100015525214_100000750430 [1,1,0,0,0,0|2,0,0]=4 2480 B10R0.1 CCNC(=O)NCCCOC 2708a_100015525214_100150723488 [1,1,0,0,0,0|2,0,0]=4 2481 B10R0.1 CCNC(=O)NCCCOC 2708a_100150723488_100015525214 [1,1,0,0,0,0|2,0,0]=4 2482 B10R0.1 CCNC(=O)NCCCOC 273464a_100015525214_100150723488 [1,1,0,0,0,0|2,0,0]=4 2483 B10R0.1 CCNC(=O)NCCCOC 273464a_100150723488_100015525214 [1,1,0,0,0,0|2,0,0]=4 2484 B10R0.1 CCNC(=O)NCCCOC 512a_100015525214_100150723488 [1,1,0,0,0,0|2,0,0]=4 2485 B10R0.1 CCNC(=O)NCCCSC 2708a_100000749238_100015525214 [1,1,0,0,0,0|2,0,0]=4 2486 B10R0.1 CCNC(=O)NCCCSC 2708a_100015525214_100000749238 [1,1,0,0,0,0|2,0,0]=4 2487 B10R0.1 CCNC(=O)NCCCSC 273464a_100000749238_100015525214 [1,1,0,0,0,0|2,0,0]=4 2488 B10R0.1 CCNC(=O)NCCCSC 273464a_100015525214_100000749238 [1,1,0,0,0,0|2,0,0]=4 2489 B10R0.1 CCNC(=O)NCCCSC 512a_100000749238_100015525214 [1,1,0,0,0,0|2,0,0]=4 2490 B10R0.1 CCNC(=O)NCCCSC 512a_100015525214_100000749238 [1,1,0,0,0,0|2,0,0]=4 2491 B10R0.1 CCNC(=O)NCCOCC 2708a_100011200944_100015525214 [1,1,0,0,0,0|2,0,0]=4 2492 B10R0.1 CCNC(=O)NCCOCC 2708a_100015525214_100011200944 [1,1,0,0,0,0|2,0,0]=4 2493 B10R0.1 CCNC(=O)NCCOCC 273464a_100015525214_102516460346 [1,1,0,0,0,0|2,0,0]=4 2494 B10R0.1 CCNC(=O)NCCOCC 273464a_102516460346_100015525214 [1,1,0,0,0,0|2,0,0]=4 2495 B10R0.1 CCNC(=O)NCCOCC 512a_100011200944_100015525214 [1,1,0,0,0,0|2,0,0]=4 2496 B10R0.1 CCNC(=O)NCCOCC 512a_100015525214_100011200944 [1,1,0,0,0,0|2,0,0]=4 2497 B10R0.1 CCNC(=O)NCCSCC 2708a_100000106463_100015525214 [1,1,0,0,0,0|2,0,0]=4 2498 B10R0.1 CCNC(=O)NCCSCC 2708a_100015525214_100000106463 [1,1,0,0,0,0|2,0,0]=4 2499 B10R0.1 CCNC(=O)NCCSCC 273464a_100000106463_100015525214 [1,1,0,0,0,0|2,0,0]=4 2500 B10R0.1 CCNC(=O)NCCSCC 273464a_100015525214_100000106463 [1,1,0,0,0,0|2,0,0]=4 2501 B10R0.1 CCNC(=O)NCCSCC 512a_100000106463_100015525214 [1,1,0,0,0,0|2,0,0]=4 2502 B10R0.1 CCNC(=O)NCCSCC 512a_100015525214_100000106463 [1,1,0,0,0,0|2,0,0]=4 2503 B10R0.1 CCNC/C=C/C(=O)OCC 2230a_100015525214_100016267167 [1,1,0,0,0,0|0,0,2]=4 2504 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [1,1,0,0,0,0|0,0,0]=2 2505 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100000210202_100016267167 [1,1,0,0,0,0|0,0,2]=4 2506 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100016267167_100000210202 [1,1,0,0,0,0|0,0,2]=4 2507 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [1,1,0,0,0,0|0,0,0]=2 2508 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [1,1,0,0,0,0|0,0,0]=2 2509 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [1,1,0,0,0,0|0,0,0]=2 2510 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [1,1,0,0,0,0|0,0,0]=2 2511 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [1,1,0,0,0,0|0,0,0]=2 2512 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [1,1,0,0,0,0|0,0,0]=2 2513 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [1,1,0,0,0,0|0,0,0]=2 2514 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [1,1,0,0,0,0|0,0,0]=2 2515 B10R0.1 CCOC(=O)CCCOCF 7a_100012001163_100015361967 [1,1,0,0,0,0|1,0,0]=3 2516 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [1,1,0,0,0,0|0,0,0]=2 2517 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [1,1,0,0,0,0|0,0,0]=2 2518 B10R0.1 CCOC(=O)CCCSCF 62a_100009991533_100015361967 [1,1,0,0,0,0|1,0,0]=3 2519 B10R0.1 CCOC(=O)CCCSCF 62a_100015361967_100009991533 [1,1,0,0,0,0|1,0,0]=3 2520 B10R0.1 CCOC(=O)CCNCCF 34a_100000724931_100000765890 [1,1,0,0,0,0|1,0,0]=3 2521 B10R0.1 CCOC(=O)CCNCCO 2230a_100016997473_100011206558 [1,1,0,0,0,0|1,0,0]=3 2522 B10R0.1 CCOC(=O)CCNCCO 34a_100016990907_100000765890 [1,1,0,0,0,0|1,0,0]=3 2523 B10R0.1 CCOC(=O)CCOCCBr 34a_100000211926_100000765890 [1,1,0,0,0,0|1,0,0]=3 2524 B10R0.1 CCOC(=O)CCOCCN 34a_100000210304_100000765890 [1,1,0,0,0,0|1,0,0]=3 2525 B10R0.1 CCOC(=O)CCSCC#N 62a_100000765890_100011215382 [1,1,0,0,0,0|1,0,1]=4 2526 B10R0.1 CCOC(=O)CCSCC#N 62a_100011215382_100000765890 [1,1,0,0,0,0|1,0,1]=4 2527 B10R0.1 CCOC(=O)CCSCC=O 62a_100000765890_200015260668 [1,1,0,0,0,0|1,0,1]=4 2528 B10R0.1 CCOC(=O)CCSCC=O 62a_200015260668_100000765890 [1,1,0,0,0,0|1,0,1]=4 2529 B10R0.1 CCOC(=O)CCSCCF 62a_100000765890_100011217306 [1,1,0,0,0,0|1,0,0]=3 2530 B10R0.1 CCOC(=O)CCSCCF 62a_100011217306_100000765890 [1,1,0,0,0,0|1,0,0]=3 2531 B10R0.1 CCOC(=O)CCSCCO 62a_100000211926_100000765890 [1,1,0,0,0,0|1,0,0]=3 2532 B10R0.1 CCOC(=O)CCSCCO 62a_100000765890_100000211926 [1,1,0,0,0,0|1,0,0]=3 2533 B10R0.1 CCOC(=O)CCSCOC 62a_100000765890_100000766300 [1,1,0,0,0,0|1,0,0]=3 2534 B10R0.1 CCOC(=O)CCSCOC 62a_100000766300_100000765890 [1,1,0,0,0,0|1,0,0]=3 2535 B10R0.1 CCOC(=O)CCSCSC 62a_100000765890_100011218213 [1,1,0,0,0,0|1,0,0]=3 2536 B10R0.1 CCOC(=O)CCSCSC 62a_100011218213_100000765890 [1,1,0,0,0,0|1,0,0]=3 2537 B10R0.1 CCOC(=O)CNCCCF 2230a_100015189416_100000188475 [1,1,0,0,0,0|1,0,0]=3 2538 B10R0.1 CCOC(=O)CNCCCF 34a_100015189416_100000188475 [1,1,0,0,0,0|1,0,0]=3 2539 B10R0.1 CCOC(=O)CNCCOC 2230a_100000209980_100000188475 [1,1,0,0,0,0|1,0,0]=3 2540 B10R0.1 CCOC(=O)CNCCSC 2230a_100020590264_100000188475 [1,1,0,0,0,0|1,0,0]=3 2541 B10R0.1 CCOC(=O)COCCCBr 34a_100011217188_100000188475 [1,1,0,0,0,0|1,0,0]=3 2542 B10R0.1 CCOC(=O)COCCCCl 34a_100000230001_100000188475 [1,1,0,0,0,0|1,0,0]=3 2543 B10R0.1 CCOC(=O)COCCCF 34a_100000759539_100000188475 [1,1,0,0,0,0|1,0,0]=3 2544 B10R0.1 CCOC(=O)COCCCN 34a_100000182051_100000188475 [1,1,0,0,0,0|1,0,0]=3 2545 B10R0.1 CCOC(=O)COCCNC 2230a_106832991635_100000088970 [1,1,0,0,0,0|1,0,0]=3 2546 B10R0.1 CCOC(=O)COCCNC 34a_100102657272_100000088970 [1,1,0,0,0,0|1,0,0]=3 2547 B10R0.1 CCOC(=O)COCCNC 7a_106832991635_100000088970 [1,1,0,0,0,0|1,0,0]=3 2548 B10R0.1 CCOC(=O)COCCOC 34a_100000210237_100000188475 [1,1,0,0,0,0|1,0,0]=3 2549 B10R0.1 CCOC(=O)COCCOC 34a_100138415774_100000088970 [1,1,0,0,0,0|1,0,0]=3 2550 B10R0.1 CCOC(=O)COCCON 34a_100000700252_100000188475 [1,1,0,0,0,0|2,0,0]=4 2551 B10R0.1 CCOC(=O)COCCSC 34a_100000230434_100000188475 [1,1,0,0,0,0|1,0,0]=3 2552 B10R0.1 CCOC(=O)COCCSC 62a_100000088970_200000210301 [1,1,0,0,0,0|1,0,0]=3 2553 B10R0.1 CCOC(=O)COCCSC 62a_200000210301_100000088970 [1,1,0,0,0,0|1,0,0]=3 2554 B10R0.1 CCOC(=O)COCCSC 7a_100000230434_100000188475 [1,1,0,0,0,0|1,0,0]=3 2555 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_100000088970_200025704644 [1,1,0,0,0,0|1,0,0]=3 2556 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_200025704644_100000088970 [1,1,0,0,0,0|1,0,0]=3 2557 B10R0.1 CCOC(=O)CSCCC#N 62a_100000188475_100011215226 [1,1,0,0,0,0|1,0,1]=4 2558 B10R0.1 CCOC(=O)CSCCC#N 62a_100011215226_100000188475 [1,1,0,0,0,0|1,0,1]=4 2559 B10R0.1 CCOC(=O)CSCCCF 62a_100000188475_100011934791 [1,1,0,0,0,0|1,0,0]=3 2560 B10R0.1 CCOC(=O)CSCCCF 62a_100011934791_100000188475 [1,1,0,0,0,0|1,0,0]=3 2561 B10R0.1 CCOC(=O)CSCCCO 62a_100000188475_100011215043 [1,1,0,0,0,0|1,0,0]=3 2562 B10R0.1 CCOC(=O)CSCCCO 62a_100011215043_100000188475 [1,1,0,0,0,0|1,0,0]=3 2563 B10R0.1 CCOC(=O)CSCCOC 62a_100000188475_100000233755 [1,1,0,0,0,0|1,0,0]=3 2564 B10R0.1 CCOC(=O)CSCCOC 62a_100000233755_100000188475 [1,1,0,0,0,0|1,0,0]=3 2565 B10R0.1 CCOC(=O)CSCCOC 7a_200000230590_200000210301 [1,1,0,0,0,0|1,0,0]=3 2566 B10R0.1 CCOC(=O)CSCCO[13CH3] 7a_200000230590_200025704644 [1,1,0,0,0,0|1,0,0]=3 2567 B10R0.1 CCOC(=O)CSCCSC 62a_100000188475_100000751147 [1,1,0,0,0,0|1,0,0]=3 2568 B10R0.1 CCOC(=O)CSCCSC 62a_100000212216_100000188475 [1,1,0,0,0,0|1,0,0]=3 2569 B10R0.1 CCOC(=O)NCCOCF 34a_100000158857_100015361967 [1,1,0,0,0,0|2,0,0]=4 2570 B10R0.1 CCOC(=O)NCCSCC 62a_100000210202_200011445536 [1,1,0,0,0,0|1,0,0]=3 2571 B10R0.1 CCOC(=O)NCCSCF 62a_100015361967_200011445536 [1,1,0,0,0,0|2,0,0]=4 2572 B10R0.1 CCOC(=O)OCSCCF 62a_100011217306_100000075025 [1,1,0,0,0,0|2,0,0]=4 2573 B10R0.1 CCOC(=O)OCSCCO 62a_100000211926_100000075025 [1,1,0,0,0,0|2,0,0]=4 2574 B10R0.1 CCOC(=O)OCSCOC 62a_100000766300_100000075025 [1,1,0,0,0,0|2,0,0]=4 2575 B10R0.1 CCOC(=O)OCSCSC 62a_100011218213_100000075025 [1,1,0,0,0,0|2,0,0]=4 2576 B10R0.1 CCOC/C=C/C(=O)OCC 34a_100121572206_100016267167 [1,1,0,0,0,0|0,0,2]=4 2577 B10R0.1 CCOCCCC(=O)CCO 1458a_100011216618_100012232248 [1,1,0,0,0,0|2,0,0]=4 2578 B10R0.1 CCOCCCC(=O)COC 1458a_100000210968_100012232248 [1,1,0,0,0,0|2,0,0]=4 2579 B10R0.1 CCOCCCC(=O)CSC 1458a_100000184570_100012232248 [1,1,0,0,0,0|2,0,0]=4 2580 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [1,1,0,0,0,0|0,0,0]=2 2581 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [1,1,0,0,0,0|0,0,0]=2 2582 B10R0.1 CCOCCNC(=O)OCC 34a_100000158857_100000210202 [1,1,0,0,0,0|1,0,0]=3 2583 B10R0.1 CCOCSCC(=O)OCC 62a_100000188475_100000739092 [1,1,0,0,0,0|1,0,0]=3 2584 B10R0.1 CCOCSCC(=O)OCC 62a_100000739092_100000188475 [1,1,0,0,0,0|1,0,0]=3 2585 B10R0.1 CCOCSCC(O)COC 62a_100000739092_100011215053 [1,1,0,0,0,0|1,0,1]=4 2586 B10R0.1 CCOCSCC(O)COC 62a_100011215053_100000739092 [1,1,0,0,0,0|1,0,1]=4 2587 B10R0.1 CNNC(=O)CCCCCO 22a_100016993582_100102619762 [1,1,0,0,0,0|2,0,0]=4 2588 B10R0.1 COCC(=O)CCCCCF 1458a_100000210968_100000729378 [1,1,0,0,0,0|2,0,0]=4 2589 B10R0.1 COCC(=O)CCCCCO 1458a_100000210968_100000746330 [1,1,0,0,0,0|2,0,0]=4 2590 B10R0.1 COCCCCC(=O)CCO 1458a_100011216618_100000755781 [1,1,0,0,0,0|2,0,0]=4 2591 B10R0.1 COCCCCC(=O)COC 1458a_100000210968_100000755781 [1,1,0,0,0,0|2,0,0]=4 2592 B10R0.1 COCCCCC(=O)CSC 1458a_100000184570_100000755781 [1,1,0,0,0,0|2,0,0]=4 2593 B10R0.1 CSCC(=O)CCCCCF 1458a_100000184570_100000729378 [1,1,0,0,0,0|2,0,0]=4 2594 B10R0.1 CSCC(=O)CCCCCO 1458a_100000184570_100000746330 [1,1,0,0,0,0|2,0,0]=4 2595 B10R0.1 O=C(CCF)CCCCCO 1458a_100102619762_100011217306 [1,1,0,0,0,0|2,0,0]=4 2596 B10R0.1 O=C(CCO)CCCCCF 1458a_100011216618_100000729378 [1,1,0,0,0,0|2,0,0]=4 2597 B10R0.1 O=C(CCO)CCCCCO 1458a_100011216618_100000746330 [1,1,0,0,0,0|2,0,0]=4 2598 B10R0.1 O=C(CCO)CCCCCO 1458a_100102619762_100000211926 [1,1,0,0,0,0|2,0,0]=4 2599 B10R0.3 C=C(C)COCC(=O)OCC 34a_100000210245_100000188475 [1,1,0,0,0,0|1,0,1]=4 2600 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000188475_100000211660 [1,1,0,0,0,0|1,0,1]=4 2601 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000748629_100000188475 [1,1,0,0,0,0|1,0,1]=4 2602 B10R0.3 CC#CC(=O)CCCC(C)C 1458a_100000763181_100011214892 [1,1,0,0,0,0|1,0,1]=4 2603 B10R0.3 CC#CC(=O)CCCC(C)O 1458a_100000763181_200000718107 [1,1,0,0,0,0|1,0,1]=4 2604 B10R0.3 CC(C)CCCC(=O)CCF 1458a_100011216857_100011217306 [1,1,0,0,0,0|2,0,0]=4 2605 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216618_100011214892 [1,1,0,0,0,0|2,0,0]=4 2606 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216857_100000211926 [1,1,0,0,0,0|2,0,0]=4 2607 B10R0.3 CC(O)CCCC(=O)CCO 1458a_100011216618_200000718107 [1,1,0,0,0,0|2,0,0]=4 2608 B10R0.3 CC=CC(=O)CCCC(C)C 1458a_100000210699_100011214892 [1,1,0,0,0,0|1,0,1]=4 2609 B10R0.3 CC=CC(=O)CCCC(C)O 1458a_100000210699_200000718107 [1,1,0,0,0,0|1,0,1]=4 2610 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [1,1,0,0,0,0|1,0,1]=4 2611 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100000211992_100011214892 [1,1,0,0,0,0|1,0,0]=3 2612 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100011216857_100000210303 [1,1,0,0,0,0|1,0,0]=3 2613 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [1,1,0,0,0,0|1,0,0]=3 2614 B10R0.3 CCCC(=O)CCCN(C)C 1458a_100000211992_100000695564 [1,1,0,0,0,0|2,0,0]=4 2615 B10R0.3 CCCC(=O)CCOC(C)C 1458a_100000211992_100000211751 [1,1,0,0,0,0|2,0,0]=4 2616 B10R0.3 CCCC(=O)CCSC(C)C 1458a_100000211992_100000730970 [1,1,0,0,0,0|2,0,0]=4 2617 B10R0.3 CCCC(=O)CNCC(C)C 2230a_100000210953_100000747444 [1,1,0,0,0,0|2,0,0]=4 2618 B10R0.3 CCCC(=O)CNCC(C)O 2230a_100000210904_100000747444 [1,1,0,0,0,0|2,0,0]=4 2619 B10R0.3 CCCC(=O)COCC(C)C 1458a_100011223364_100000210303 [1,1,0,0,0,0|2,0,0]=4 2620 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000210624_100000747444 [1,1,0,0,0,0|2,0,0]=4 2621 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000747444_100000210760 [1,1,0,0,0,0|2,0,0]=4 2622 B10R0.3 CCCC(=O)CSCC(C)O 62a_100000747444_100011218427 [1,1,0,0,0,0|2,0,0]=4 2623 B10R0.3 CCCC(=O)CSCC(C)O 62a_100011218427_100000747444 [1,1,0,0,0,0|2,0,0]=4 2624 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100000747444_100009817552 [1,1,0,0,0,0|2,0,0]=4 2625 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747444 [1,1,0,0,0,0|2,0,0]=4 2626 B10R0.3 CCCC(=O)NCCC(C)C 11a_100000210545_100000211992 [1,1,0,0,0,0|2,0,0]=4 2627 B10R0.3 CCCC(=O)NCCC(C)C 1626a_100000210545_100000211992 [1,1,0,0,0,0|2,0,0]=4 2628 B10R0.3 CCCC(=O)NCCC(C)C 240690a_100000210545_100000211992 [1,1,0,0,0,0|2,0,0]=4 2629 B10R0.3 CCCC(=O)NCCC(C)C 527a_100000210545_100000211992 [1,1,0,0,0,0|2,0,0]=4 2630 B10R0.3 CCCC(=O)NCCC(C)O 240690a_200000755665_100000211992 [1,1,0,0,0,0|2,0,0]=4 2631 B10R0.3 CCCC(=O)NCCC(C)O 527a_200000755665_100000211992 [1,1,0,0,0,0|2,0,0]=4 2632 B10R0.3 CCCC(C)CCOC(C)C 34a_100011217855_100000210206 [1,1,0,0,0,0|1,0,1]=4 2633 B10R0.3 CCCC(C)CCOC(C)C 7a_100011217855_100000210206 [1,1,0,0,0,0|1,0,1]=4 2634 B10R0.3 CCC[C@H](N)CCOC(C)C 34a_100015193777_100000210206 [1,1,0,0,0,0|1,0,1]=4 2635 B10R0.3 CCNC(=O)CCCC(=O)C 1458a_100000199580_200000210301 [1,1,0,0,0,0|1,0,1]=4 2636 B10R0.3 CCNC(=O)CCCC(=O)[13CH3] 1458a_100000199580_200025704644 [1,1,0,0,0,0|1,0,1]=4 2637 B10R0.3 CCNC(=O)CCCC(C)C 11a_100015525214_100011216857 [1,1,0,0,0,0|1,0,0]=3 2638 B10R0.3 CCNC(=O)CCCC(C)C 240690a_100015525214_100011216857 [1,1,0,0,0,0|1,0,0]=3 2639 B10R0.3 CCNC(=O)CCCC(C)C 527a_100015525214_100011216857 [1,1,0,0,0,0|1,0,0]=3 2640 B10R0.3 CCNC(=O)CCCC(C)O 527a_100015525214_100000761597 [1,1,0,0,0,0|1,0,0]=3 2641 B10R0.3 CCNC(=O)CCCN(C)C 11a_100015525214_100000740757 [1,1,0,0,0,0|2,0,0]=4 2642 B10R0.3 CCNC(=O)CCCN(C)C 240690a_100015525214_100000740757 [1,1,0,0,0,0|2,0,0]=4 2643 B10R0.3 CCNC(=O)CCNC(C)C 2230a_100138425928_100000737597 [1,1,0,0,0,0|2,0,0]=4 2644 B10R0.3 CCNC(=O)CCNC(C)C 34a_100025743525_100000210206 [1,1,0,0,0,0|2,0,0]=4 2645 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000210206_100000737597 [1,1,0,0,0,0|2,0,0]=4 2646 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000737597_100000210206 [1,1,0,0,0,0|2,0,0]=4 2647 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100000210953_100000183381 [1,1,0,0,0,0|2,0,0]=4 2648 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100016988866_100000210760 [1,1,0,0,0,0|2,0,0]=4 2649 B10R0.3 CCNC(=O)CNCC(C)C 270004a_100016988866_100000210432 [1,1,0,0,0,0|2,0,0]=4 2650 B10R0.3 CCNC(=O)CNCC(C)C 34a_100000210953_100000183381 [1,1,0,0,0,0|2,0,0]=4 2651 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100000210904_100000183381 [1,1,0,0,0,0|2,0,0]=4 2652 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100016988866_100011218427 [1,1,0,0,0,0|2,0,0]=4 2653 B10R0.3 CCNC(=O)CNCC(C)O 34a_100000210904_100000183381 [1,1,0,0,0,0|2,0,0]=4 2654 B10R0.3 CCNC(=O)CNC[C@@H](C)O 2230a_100016988866_100009817552 [1,1,0,0,0,0|2,0,0]=4 2655 B10R0.3 CCNC(=O)COCC(C)Br 34a_100012180447_100000183381 [1,1,0,0,0,0|2,0,0]=4 2656 B10R0.3 CCNC(=O)COCC(C)C 11a_100015525214_100011223364 [1,1,0,0,0,0|2,0,0]=4 2657 B10R0.3 CCNC(=O)COCC(C)C 240690a_100015525214_100011223364 [1,1,0,0,0,0|2,0,0]=4 2658 B10R0.3 CCNC(=O)COCC(C)C 34a_100000210257_100000183381 [1,1,0,0,0,0|2,0,0]=4 2659 B10R0.3 CCNC(=O)COCC(C)C 527a_100015525214_100011223364 [1,1,0,0,0,0|2,0,0]=4 2660 B10R0.3 CCNC(=O)COCC(C)F 34a_100015925927_100000183381 [1,1,0,0,0,0|2,0,0]=4 2661 B10R0.3 CCNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183381 [1,1,0,0,0,0|2,0,0]=4 2662 B10R0.3 CCNC(=O)COC[C@@H](C)N 34a_100000737577_100000183381 [1,1,0,0,0,0|2,0,0]=4 2663 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000183381_100000210760 [1,1,0,0,0,0|2,0,0]=4 2664 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000210624_100000183381 [1,1,0,0,0,0|2,0,0]=4 2665 B10R0.3 CCNC(=O)CSCC(C)O 62a_100000183381_100011218427 [1,1,0,0,0,0|2,0,0]=4 2666 B10R0.3 CCNC(=O)CSCC(C)O 62a_100011218427_100000183381 [1,1,0,0,0,0|2,0,0]=4 2667 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100000183381_100009817552 [1,1,0,0,0,0|2,0,0]=4 2668 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183381 [1,1,0,0,0,0|2,0,0]=4 2669 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100000210545_100015525214 [1,1,0,0,0,0|2,0,0]=4 2670 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100015525214_100000210545 [1,1,0,0,0,0|2,0,0]=4 2671 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100000210545_100015525214 [1,1,0,0,0,0|2,0,0]=4 2672 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100015525214_100000210545 [1,1,0,0,0,0|2,0,0]=4 2673 B10R0.3 CCNC(=O)NCCC(C)C 512a_100000210545_100015525214 [1,1,0,0,0,0|2,0,0]=4 2674 B10R0.3 CCNC(=O)NCCC(C)C 512a_100015525214_100000210545 [1,1,0,0,0,0|2,0,0]=4 2675 B10R0.3 CCNC(=O)NCCC(C)O 2708a_100015525214_200000755665 [1,1,0,0,0,0|2,0,0]=4 2676 B10R0.3 CCNC(=O)NCCC(C)O 273464a_200000755665_100015525214 [1,1,0,0,0,0|2,0,0]=4 2677 B10R0.3 CCNC(=O)NCCC(C)O 512a_100015525214_200000755665 [1,1,0,0,0,0|2,0,0]=4 2678 B10R0.3 CCNC(=O)NCCC(C)O 512a_200000755665_100015525214 [1,1,0,0,0,0|2,0,0]=4 2679 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [1,1,0,0,0,0|0,0,1]=3 2680 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [1,1,0,0,0,0|0,0,1]=3 2681 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [1,1,0,0,0,0|0,0,1]=3 2682 B10R0.3 CCOC(=O)CCCN(C)C 2230a_100102631434_100009991533 [1,1,0,0,0,0|1,0,0]=3 2683 B10R0.3 CCOC(=O)CCCN(C)C 269982a_100102631434_100009991533 [1,1,0,0,0,0|1,0,0]=3 2684 B10R0.3 CCOC(=O)CCNC(=O)C 188690a_100000746078_100015343762 [1,1,0,0,0,0|1,0,1]=4 2685 B10R0.3 CCOC(=O)CCNC(C)C 2230a_100138425928_100011206558 [1,1,0,0,0,0|1,0,0]=3 2686 B10R0.3 CCOC(=O)CCNC(C)C 34a_100138425928_100000765890 [1,1,0,0,0,0|1,0,0]=3 2687 B10R0.3 CCOC(=O)CCOC(C)C 34a_100000212225_100000765890 [1,1,0,0,0,0|1,0,0]=3 2688 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000210206_100000765890 [1,1,0,0,0,0|1,0,0]=3 2689 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000765890_100000210206 [1,1,0,0,0,0|1,0,0]=3 2690 B10R0.3 CCOC(=O)CNCC(C)C 2230a_100000210953_100000188475 [1,1,0,0,0,0|1,0,0]=3 2691 B10R0.3 CCOC(=O)CNCC(C)C 34a_100000210953_100000188475 [1,1,0,0,0,0|1,0,0]=3 2692 B10R0.3 CCOC(=O)CNCC(C)O 2230a_100000210904_100000188475 [1,1,0,0,0,0|1,0,0]=3 2693 B10R0.3 CCOC(=O)CNCC(C)O 34a_100000210904_100000188475 [1,1,0,0,0,0|1,0,0]=3 2694 B10R0.3 CCOC(=O)CNCC(F)F 34a_100000765723_100000188475 [1,1,0,0,0,0|2,0,0]=4 2695 B10R0.3 CCOC(=O)COCC(=O)C 34a_100000211253_100000188475 [1,1,0,0,0,0|1,0,1]=4 2696 B10R0.3 CCOC(=O)COCC(C)Br 34a_100012180447_100000188475 [1,1,0,0,0,0|1,0,0]=3 2697 B10R0.3 CCOC(=O)COCC(C)C 34a_100000210257_100000188475 [1,1,0,0,0,0|1,0,0]=3 2698 B10R0.3 CCOC(=O)COCC(C)F 34a_100015925927_100000188475 [1,1,0,0,0,0|1,0,0]=3 2699 B10R0.3 CCOC(=O)COCC(F)F 34a_100000743014_100000188475 [1,1,0,0,0,0|2,0,0]=4 2700 B10R0.3 CCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000188475 [1,1,0,0,0,0|1,0,0]=3 2701 B10R0.3 CCOC(=O)COC[C@@H](C)N 34a_100000737577_100000188475 [1,1,0,0,0,0|1,0,0]=3 2702 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000188475_100000210760 [1,1,0,0,0,0|1,0,0]=3 2703 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000210624_100000188475 [1,1,0,0,0,0|1,0,0]=3 2704 B10R0.3 CCOC(=O)CSCC(C)O 62a_100000188475_100011218427 [1,1,0,0,0,0|1,0,0]=3 2705 B10R0.3 CCOC(=O)CSCC(C)O 62a_100011218427_100000188475 [1,1,0,0,0,0|1,0,0]=3 2706 B10R0.3 CCOC(=O)CSCC(F)F 62a_100000188475_100011934356 [1,1,0,0,0,0|2,0,0]=4 2707 B10R0.3 CCOC(=O)CSCC(F)F 62a_100011934356_100000188475 [1,1,0,0,0,0|2,0,0]=4 2708 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100000188475_100009817552 [1,1,0,0,0,0|1,0,0]=3 2709 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000188475 [1,1,0,0,0,0|1,0,0]=3 2710 B10R0.3 CCOC(=O)NCCC(=O)C 1458a_100000070787_200011445536 [1,1,0,0,0,0|1,0,1]=4 2711 B10R0.3 CCOC(=O)NCCN(C)C 269982a_100102631434_200011445536 [1,1,0,0,0,0|2,0,0]=4 2712 B10R0.3 CCOC(=O)OCSC(C)C 62a_100000210206_100000075025 [1,1,0,0,0,0|2,0,0]=4 2713 B10R0.3 CCOC(C)CCCC(C)C 34a_200011218570_100000210202 [1,1,0,0,0,0|1,0,1]=4 2714 B10R0.3 CCOC(C)CCCC(C)C 7a_200011218570_100000210202 [1,1,0,0,0,0|1,0,1]=4 2715 B10R0.3 CNNC(=O)CCCC(C)C 22a_100016993582_100011216857 [1,1,0,0,0,0|2,0,0]=4 2716 B10R0.3 CNNC(=O)CCCC(C)O 22a_100016993582_100000761597 [1,1,0,0,0,0|2,0,0]=4 2717 B10R0.3 COCC(=O)CCCC(C)C 1458a_100000210968_100011214892 [1,1,0,0,0,0|2,0,0]=4 2718 B10R0.3 COCC(=O)CCCC(C)O 1458a_100000210968_200000718107 [1,1,0,0,0,0|2,0,0]=4 2719 B10R0.3 CSCC(=O)CCCC(C)C 1458a_100000184570_100011214892 [1,1,0,0,0,0|2,0,0]=4 2720 B10R0.3 CSCC(=O)CCCC(C)O 1458a_100000184570_200000718107 [1,1,0,0,0,0|2,0,0]=4 2721 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [1,1,0,0,0,0|1,0,1]=4 2722 B10R0.6 CC(C)CC(=O)CCCCF 1458a_100000210554_100000729493 [1,1,0,0,0,0|2,0,0]=4 2723 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000210554_100000210776 [1,1,0,0,0,0|2,0,0]=4 2724 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000695505_100000210624 [1,1,0,0,0,0|2,0,0]=4 2725 B10R0.6 CC(C)NC(=O)CCCCO 1626a_100138425928_100000695505 [1,1,0,0,0,0|2,0,0]=4 2726 B10R0.6 CC(C)OC(=O)CCSCF 62a_100000760027_100015361967 [1,1,0,0,0,0|2,0,0]=4 2727 B10R0.6 CC(C)OC(=O)CCSCF 62a_100015361967_100000760027 [1,1,0,0,0,0|2,0,0]=4 2728 B10R0.6 CC(C)OC(=O)CNCCF 34a_100000724931_100011215430 [1,1,0,0,0,0|2,0,0]=4 2729 B10R0.6 CC(C)OC(=O)CNCCO 2230a_100016997473_100011215430 [1,1,0,0,0,0|2,0,0]=4 2730 B10R0.6 CC(C)OC(=O)CNCCO 34a_100016990907_100011215430 [1,1,0,0,0,0|2,0,0]=4 2731 B10R0.6 CC(C)OC(=O)COCCBr 34a_100000211926_100011215430 [1,1,0,0,0,0|2,0,0]=4 2732 B10R0.6 CC(C)OC(=O)COCCN 34a_100000210304_100011215430 [1,1,0,0,0,0|2,0,0]=4 2733 B10R0.6 CC(C)OC(=O)CSCCF 62a_100011215430_100011217306 [1,1,0,0,0,0|2,0,0]=4 2734 B10R0.6 CC(C)OC(=O)CSCCF 62a_100011217306_100011215430 [1,1,0,0,0,0|2,0,0]=4 2735 B10R0.6 CC(C)OC(=O)CSCCO 62a_100000211926_100011215430 [1,1,0,0,0,0|2,0,0]=4 2736 B10R0.6 CC(C)OC(=O)CSCCO 62a_100011215430_100000211926 [1,1,0,0,0,0|2,0,0]=4 2737 B10R0.6 CC(O)CC(=O)CCCCO 1458a_100000695505_100011218427 [1,1,0,0,0,0|2,0,0]=4 2738 B10R0.6 CCCCCC(=O)C=C(C)C 1458a_100000211388_100000210326 [1,1,0,0,0,0|1,0,1]=4 2739 B10R0.6 CCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210326 [1,1,0,0,0,0|1,0,1]=4 2740 B10R0.6 CCCCCC(=O)C=C(C)I 1458a_100025716642_100000210326 [1,1,0,0,0,0|1,0,1]=4 2741 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [1,1,0,0,0,0|1,0,1]=4 2742 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000210554_100000210326 [1,1,0,0,0,0|1,0,0]=3 2743 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000212188_100000210624 [1,1,0,0,0,0|1,0,0]=3 2744 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [1,1,0,0,0,0|1,0,0]=3 2745 B10R0.6 CCCCCC(=O)CC(F)F 1458a_100000212188_100011934356 [1,1,0,0,0,0|2,0,0]=4 2746 B10R0.6 CCCCCC(=O)CN(C)C 1458a_100000750896_100000210326 [1,1,0,0,0,0|2,0,0]=4 2747 B10R0.6 CCCCCC(=O)CN(C)C 2230a_100102631434_200012276598 [1,1,0,0,0,0|2,0,0]=4 2748 B10R0.6 CCCCCC(=O)CN(C)C 269982a_100102631434_200012276598 [1,1,0,0,0,0|2,0,0]=4 2749 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [1,1,0,0,0,0|1,0,0]=3 2750 B10R0.6 CCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210326 [1,1,0,0,0,0|2,0,0]=4 2751 B10R0.6 CCCCCC(=O)NC(C)C 11a_100138425928_100000212188 [1,1,0,0,0,0|1,0,0]=3 2752 B10R0.6 CCCCCC(=O)NC(C)C 1626a_100138425928_100000212188 [1,1,0,0,0,0|1,0,0]=3 2753 B10R0.6 CCCCCC(=O)NC(C)C 240690a_100138425928_100000212188 [1,1,0,0,0,0|1,0,0]=3 2754 B10R0.6 CCCCCC(=O)NC(C)C 527a_100138425928_100000212188 [1,1,0,0,0,0|1,0,0]=3 2755 B10R0.6 CCCCCC(C)OC(C)C 34a_100000212225_200011218191 [1,1,0,0,0,0|1,0,1]=4 2756 B10R0.6 CCCCCC(C)OC(C)C 34a_100011215632_100000210206 [1,1,0,0,0,0|1,0,1]=4 2757 B10R0.6 CCCCCC(C)OC(C)C 7a_100011215632_100000210206 [1,1,0,0,0,0|1,0,1]=4 2758 B10R0.6 CCCCNC(=O)CC(C)C 11a_100000102301_100000210554 [1,1,0,0,0,0|2,0,0]=4 2759 B10R0.6 CCCCNC(=O)CC(C)C 1626a_100000102301_100000210554 [1,1,0,0,0,0|2,0,0]=4 2760 B10R0.6 CCCCNC(=O)CC(C)C 240690a_100000102301_100000210554 [1,1,0,0,0,0|2,0,0]=4 2761 B10R0.6 CCCCNC(=O)CC(C)C 527a_100000102301_100000210554 [1,1,0,0,0,0|2,0,0]=4 2762 B10R0.6 CCCCNC(=O)C[C@@H](C)O 240690a_100000102301_100011933948 [1,1,0,0,0,0|2,0,0]=4 2763 B10R0.6 CCCCNC(=O)NC(C)C 2708a_100000102301_100138425928 [1,1,0,0,0,0|2,0,0]=4 2764 B10R0.6 CCCCNC(=O)NC(C)C 2708a_100138425928_100000102301 [1,1,0,0,0,0|2,0,0]=4 2765 B10R0.6 CCCCNC(=O)NC(C)C 273464a_100138425928_100000102301 [1,1,0,0,0,0|2,0,0]=4 2766 B10R0.6 CCCCNC(=O)NC(C)C 512a_100000102301_100138425928 [1,1,0,0,0,0|2,0,0]=4 2767 B10R0.6 CCCCNC(=O)NC(C)C 512a_100138425928_100000102301 [1,1,0,0,0,0|2,0,0]=4 2768 B10R0.6 CCCNCC(=O)NC(C)C 2230a_100000168517_100000210303 [1,1,0,0,0,0|2,0,0]=4 2769 B10R0.6 CCCOCC(=O)CC(C)C 1458a_100000745993_100000210624 [1,1,0,0,0,0|2,0,0]=4 2770 B10R0.6 CCCOCC(=O)CC(C)O 1458a_100000745993_100011218427 [1,1,0,0,0,0|2,0,0]=4 2771 B10R0.6 CCCOCC(=O)NC(C)C 11a_100138425928_100000745993 [1,1,0,0,0,0|2,0,0]=4 2772 B10R0.6 CCCOCC(=O)NC(C)C 1626a_100138425928_100000745993 [1,1,0,0,0,0|2,0,0]=4 2773 B10R0.6 CCCOCC(=O)NC(C)C 240690a_100138425928_100000745993 [1,1,0,0,0,0|2,0,0]=4 2774 B10R0.6 CCCOCC(=O)NC(C)C 34a_100000210258_100000183996 [1,1,0,0,0,0|2,0,0]=4 2775 B10R0.6 CCCOCC(=O)NC(C)C 527a_100138425928_100000745993 [1,1,0,0,0,0|2,0,0]=4 2776 B10R0.6 CCCOCC(=O)OC(C)C 34a_100000210258_100011215430 [1,1,0,0,0,0|1,0,0]=3 2777 B10R0.6 CCCSCC(=O)CC(C)C 1458a_100000217233_100000210624 [1,1,0,0,0,0|2,0,0]=4 2778 B10R0.6 CCCSCC(=O)CC(C)O 1458a_100000217233_100011218427 [1,1,0,0,0,0|2,0,0]=4 2779 B10R0.6 CCCSCC(=O)NC(C)C 11a_100138425928_100000217233 [1,1,0,0,0,0|2,0,0]=4 2780 B10R0.6 CCCSCC(=O)NC(C)C 1626a_100138425928_100000217233 [1,1,0,0,0,0|2,0,0]=4 2781 B10R0.6 CCCSCC(=O)NC(C)C 240690a_100138425928_100000217233 [1,1,0,0,0,0|2,0,0]=4 2782 B10R0.6 CCCSCC(=O)NC(C)C 527a_100138425928_100000217233 [1,1,0,0,0,0|2,0,0]=4 2783 B10R0.6 CCCSCC(=O)NC(C)C 62a_100000183996_100000210303 [1,1,0,0,0,0|2,0,0]=4 2784 B10R0.6 CCCSCC(=O)NC(C)C 62a_100000210303_100000183996 [1,1,0,0,0,0|2,0,0]=4 2785 B10R0.6 CCCSCC(=O)OC(C)C 62a_100000210303_100011215430 [1,1,0,0,0,0|1,0,0]=3 2786 B10R0.6 CCCSCC(=O)OC(C)C 62a_100011215430_100000210303 [1,1,0,0,0,0|1,0,0]=3 2787 B10R0.6 CCNCCC(=O)NC(C)C 2230a_100015525214_100000737564 [1,1,0,0,0,0|2,0,0]=4 2788 B10R0.6 CCNCCC(=O)OC(C)C 2230a_100015525214_100000760027 [1,1,0,0,0,0|1,0,0]=3 2789 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000210554_100011215890 [1,1,0,0,0,0|2,0,0]=4 2790 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000749530_100000210624 [1,1,0,0,0,0|2,0,0]=4 2791 B10R0.6 CCOCCC(=O)CC(C)O 1458a_100000749530_100011218427 [1,1,0,0,0,0|2,0,0]=4 2792 B10R0.6 CCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215890 [1,1,0,0,0,0|2,0,0]=4 2793 B10R0.6 CCOCCC(=O)NC(C)C 11a_100138425928_100000749530 [1,1,0,0,0,0|2,0,0]=4 2794 B10R0.6 CCOCCC(=O)NC(C)C 1626a_100138425928_100000749530 [1,1,0,0,0,0|2,0,0]=4 2795 B10R0.6 CCOCCC(=O)NC(C)C 240690a_100138425928_100000749530 [1,1,0,0,0,0|2,0,0]=4 2796 B10R0.6 CCOCCC(=O)NC(C)C 527a_100138425928_100000749530 [1,1,0,0,0,0|2,0,0]=4 2797 B10R0.6 CCOCC[C@@H](N)CC(C)C 34a_100161151251_100000210202 [1,1,0,0,0,0|1,0,1]=4 2798 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000210554_100000757381 [1,1,0,0,0,0|2,0,0]=4 2799 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000230768_100000210624 [1,1,0,0,0,0|2,0,0]=4 2800 B10R0.6 CCSCCC(=O)CC(C)O 1458a_100000230768_100011218427 [1,1,0,0,0,0|2,0,0]=4 2801 B10R0.6 CCSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757381 [1,1,0,0,0,0|2,0,0]=4 2802 B10R0.6 CCSCCC(=O)NC(C)C 11a_100138425928_100000230768 [1,1,0,0,0,0|2,0,0]=4 2803 B10R0.6 CCSCCC(=O)NC(C)C 1626a_100138425928_100000230768 [1,1,0,0,0,0|2,0,0]=4 2804 B10R0.6 CCSCCC(=O)NC(C)C 240690a_100138425928_100000230768 [1,1,0,0,0,0|2,0,0]=4 2805 B10R0.6 CCSCCC(=O)NC(C)C 527a_100138425928_100000230768 [1,1,0,0,0,0|2,0,0]=4 2806 B10R0.6 CCSCCC(=O)NC(C)C 62a_100000210202_100000737564 [1,1,0,0,0,0|2,0,0]=4 2807 B10R0.6 CCSCCC(=O)NC(C)C 62a_100000737564_100000210202 [1,1,0,0,0,0|2,0,0]=4 2808 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000210202_100000760027 [1,1,0,0,0,0|1,0,0]=3 2809 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000760027_100000210202 [1,1,0,0,0,0|1,0,0]=3 2810 B10R0.6 CCSCOC(=O)OC(C)C 62a_100000003507_100000210202 [1,1,0,0,0,0|2,0,0]=4 2811 B10R0.6 CCSCOC(=O)OC(C)C 62a_100000210202_100000003507 [1,1,0,0,0,0|2,0,0]=4 2812 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000210554_100000740836 [1,1,0,0,0,0|2,0,0]=4 2813 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000741012_100000210624 [1,1,0,0,0,0|2,0,0]=4 2814 B10R0.6 COCCCC(=O)CC(C)O 1458a_100000741012_100011218427 [1,1,0,0,0,0|2,0,0]=4 2815 B10R0.6 COCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000740836 [1,1,0,0,0,0|2,0,0]=4 2816 B10R0.6 COCCCC(=O)NC(C)C 11a_100138425928_100000741012 [1,1,0,0,0,0|2,0,0]=4 2817 B10R0.6 COCCCC(=O)NC(C)C 1626a_100138425928_100000741012 [1,1,0,0,0,0|2,0,0]=4 2818 B10R0.6 COCCCC(=O)NC(C)C 240690a_100138425928_100000741012 [1,1,0,0,0,0|2,0,0]=4 2819 B10R0.6 COCCCC(=O)NC(C)C 527a_100138425928_100000741012 [1,1,0,0,0,0|2,0,0]=4 2820 B10R0.6 COCSCC(=O)OC(C)C 62a_100000766300_100011215430 [1,1,0,0,0,0|2,0,0]=4 2821 B10R0.6 COCSCC(=O)OC(C)C 62a_100011215430_100000766300 [1,1,0,0,0,0|2,0,0]=4 2822 B10R0.6 CSCCCC(=O)CC(C)C 1458a_100000173376_100000210624 [1,1,0,0,0,0|2,0,0]=4 2823 B10R0.6 CSCCCC(=O)CC(C)O 1458a_100000173376_100011218427 [1,1,0,0,0,0|2,0,0]=4 2824 B10R0.6 CSCCCC(=O)NC(C)C 11a_100138425928_100000173376 [1,1,0,0,0,0|2,0,0]=4 2825 B10R0.6 CSCCCC(=O)NC(C)C 1626a_100138425928_100000173376 [1,1,0,0,0,0|2,0,0]=4 2826 B10R0.6 CSCCCC(=O)NC(C)C 240690a_100138425928_100000173376 [1,1,0,0,0,0|2,0,0]=4 2827 B10R0.6 CSCCCC(=O)NC(C)C 527a_100138425928_100000173376 [1,1,0,0,0,0|2,0,0]=4 2828 B10R0.6 CSCSCC(=O)OC(C)C 62a_100011215430_100011218213 [1,1,0,0,0,0|2,0,0]=4 2829 B10R0.6 CSCSCC(=O)OC(C)C 62a_100011218213_100011215430 [1,1,0,0,0,0|2,0,0]=4 2830 B10R0.6 C[C@@H](O)CC(=O)CCCCF 1458a_100011933948_100000729493 [1,1,0,0,0,0|2,0,0]=4 2831 B10R0.6 C[C@@H](O)CC(=O)CCCCO 1458a_100011933948_100000210776 [1,1,0,0,0,0|2,0,0]=4 2832 B10R0.19 C=C(COCC)C(=O)OCC 34a_100121572206_100000755967 [1,1,0,0,0,0|1,0,1]=4 2833 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000210202_100000755967 [1,1,0,0,0,0|1,0,1]=4 2834 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000755967_100000210202 [1,1,0,0,0,0|1,0,1]=4 2835 B10R0.19 CC#CC(=O)C(C)CCCC 1458a_100000763181_200011215066 [1,1,0,0,0,0|1,0,1]=4 2836 B10R0.19 CC=CC(=O)C(C)CCCC 1458a_100000210699_200011215066 [1,1,0,0,0,0|1,0,1]=4 2837 B10R0.19 CCCC(=O)C(O)CCSC 1458a_100000685904_100000210303 [1,1,0,0,0,0|2,0,0]=4 2838 B10R0.19 CCCCC(=O)C(=O)NCC 1458a_200011297158_100000210211 [1,1,0,0,0,0|1,0,1]=4 2839 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000211992_200011215066 [1,1,0,0,0,0|1,0,0]=3 2840 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000725509_100000210303 [1,1,0,0,0,0|1,0,0]=3 2841 B10R0.19 CCCCC(C)C(=O)CCF 1458a_100000725509_100011217306 [1,1,0,0,0,0|2,0,0]=4 2842 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100000725509_100000211926 [1,1,0,0,0,0|2,0,0]=4 2843 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100011216618_200011215066 [1,1,0,0,0,0|2,0,0]=4 2844 B10R0.19 CCCCC(C)C(=O)COC 1458a_100000210968_200011215066 [1,1,0,0,0,0|2,0,0]=4 2845 B10R0.19 CCCCC(C)C(=O)CSC 1458a_100000184570_200011215066 [1,1,0,0,0,0|2,0,0]=4 2846 B10R0.19 CCCCC(C)C(=O)NCC 11a_100015525214_100000725509 [1,1,0,0,0,0|1,0,0]=3 2847 B10R0.19 CCCCC(C)C(=O)NCC 240690a_100015525214_100000725509 [1,1,0,0,0,0|1,0,0]=3 2848 B10R0.19 CCCCC(C)C(=O)NCC 527a_100015525214_100000725509 [1,1,0,0,0,0|1,0,0]=3 2849 B10R0.19 CCCCC(C)C(=O)NNC 22a_100016993582_100000725509 [1,1,0,0,0,0|2,0,0]=4 2850 B10R0.19 CCCCC(O)C(=O)CCC 1458a_100000720857_100000210303 [1,1,0,0,0,0|1,0,0]=3 2851 B10R0.19 CCCCC(O)C(=O)CCF 1458a_100000720857_100011217306 [1,1,0,0,0,0|2,0,0]=4 2852 B10R0.19 CCCCC(O)C(=O)CCO 1458a_100000720857_100000211926 [1,1,0,0,0,0|2,0,0]=4 2853 B10R0.19 CCCCC(O)C(=O)NCC 240690a_100015525214_100000720857 [1,1,0,0,0,0|1,0,0]=3 2854 B10R0.19 CCCCC(O)C(=O)NCC 527a_100015525214_100000720857 [1,1,0,0,0,0|1,0,0]=3 2855 B10R0.19 CCCCC(O)C(=O)NNC 22a_100016993582_100000720857 [1,1,0,0,0,0|2,0,0]=4 2856 B10R0.19 CCCCN(C)C(=O)CCC 11a_100000207549_100000211992 [1,1,0,0,0,0|2,0,0]=4 2857 B10R0.19 CCCCN(C)C(=O)CCC 1626a_100000207549_100000211992 [1,1,0,0,0,0|2,0,0]=4 2858 B10R0.19 CCCCN(C)C(=O)CCC 240690a_100000207549_100000211992 [1,1,0,0,0,0|2,0,0]=4 2859 B10R0.19 CCCCN(C)C(=O)CCC 527a_100000207549_100000211992 [1,1,0,0,0,0|2,0,0]=4 2860 B10R0.19 CCCCN(C)C(=O)NCC 2708a_100015525214_100000207549 [1,1,0,0,0,0|2,0,0]=4 2861 B10R0.19 CCCCN(C)C(=O)NCC 273464a_100015525214_100000207549 [1,1,0,0,0,0|2,0,0]=4 2862 B10R0.19 CCCNC(=O)C(=O)OCC 11a_100020643023_100014798877 [1,1,0,0,0,0|1,0,1]=4 2863 B10R0.19 CCCNC(=O)C(=O)OCC 1626a_100020643023_100014798877 [1,1,0,0,0,0|1,0,1]=4 2864 B10R0.19 CCCNC(=O)C(=O)OCC 240690a_100020643023_100014798877 [1,1,0,0,0,0|1,0,1]=4 2865 B10R0.19 CCCNC(C)C(=O)NCC 2230a_100000736553_100000210303 [1,1,0,0,0,0|2,0,0]=4 2866 B10R0.19 CCCNC(C)C(=O)NCC 34a_100000736553_100000210303 [1,1,0,0,0,0|2,0,0]=4 2867 B10R0.19 CCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210303 [1,1,0,0,0,0|1,1,0]=4 2868 B10R0.19 CCCOC(C)C(=O)NCC 34a_100000210258_100000230173 [1,1,0,0,0,0|2,0,0]=4 2869 B10R0.19 CCCOC(C)C(=O)OCC 34a_100000210258_100011216346 [1,1,0,0,0,0|1,0,0]=3 2870 B10R0.19 CCCOC(F)C(=O)OCC 34a_100000210258_100000760018 [1,1,0,0,0,0|1,0,0]=3 2871 B10R0.19 CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210303 [1,1,0,0,0,0|1,0,0]=3 2872 B10R0.19 CCCSC(C)C(=O)NCC 62a_100000210303_100000230173 [1,1,0,0,0,0|2,0,0]=4 2873 B10R0.19 CCCSC(C)C(=O)NCC 62a_100000230173_100000210303 [1,1,0,0,0,0|2,0,0]=4 2874 B10R0.19 CCCSC(C)C(=O)OCC 62a_100000210303_100011216346 [1,1,0,0,0,0|1,0,0]=3 2875 B10R0.19 CCCSC(C)C(=O)OCC 62a_100011216346_100000210303 [1,1,0,0,0,0|1,0,0]=3 2876 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000210303_100000760018 [1,1,0,0,0,0|1,0,0]=3 2877 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000760018_100000210303 [1,1,0,0,0,0|1,0,0]=3 2878 B10R0.19 CCNC(=O)C(O)CCSC 240690a_100015525214_100000685904 [1,1,0,0,0,0|2,0,0]=4 2879 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000210202_100000211299 [1,1,0,0,0,0|1,0,1]=4 2880 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000211299_100000210202 [1,1,0,0,0,0|1,0,1]=4 2881 B10R0.19 CCOC(=O)C(C)NCCF 34a_100000724931_100011216346 [1,1,0,0,0,0|2,0,0]=4 2882 B10R0.19 CCOC(=O)C(C)NCCO 2230a_100016997473_100011215307 [1,1,0,0,0,0|2,0,0]=4 2883 B10R0.19 CCOC(=O)C(C)NCCO 34a_100016990907_100011216346 [1,1,0,0,0,0|2,0,0]=4 2884 B10R0.19 CCOC(=O)C(C)OCCBr 34a_100000211926_100011216346 [1,1,0,0,0,0|2,0,0]=4 2885 B10R0.19 CCOC(=O)C(C)OCCN 34a_100000210304_100011216346 [1,1,0,0,0,0|2,0,0]=4 2886 B10R0.19 CCOC(=O)C(C)SCCF 62a_100011216346_100011217306 [1,1,0,0,0,0|2,0,0]=4 2887 B10R0.19 CCOC(=O)C(C)SCCF 62a_100011217306_100011216346 [1,1,0,0,0,0|2,0,0]=4 2888 B10R0.19 CCOC(=O)C(C)SCCO 62a_100000211926_100011216346 [1,1,0,0,0,0|2,0,0]=4 2889 B10R0.19 CCOC(=O)C(C)SCCO 62a_100011216346_100000211926 [1,1,0,0,0,0|2,0,0]=4 2890 B10R0.19 CCOC(=O)C(C)SCOC 62a_100000766300_100011216346 [1,1,0,0,0,0|2,0,0]=4 2891 B10R0.19 CCOC(=O)C(C)SCOC 62a_100011216346_100000766300 [1,1,0,0,0,0|2,0,0]=4 2892 B10R0.19 CCOC(=O)C(C)SCSC 62a_100011216346_100011218213 [1,1,0,0,0,0|2,0,0]=4 2893 B10R0.19 CCOC(=O)C(C)SCSC 62a_100011218213_100011216346 [1,1,0,0,0,0|2,0,0]=4 2894 B10R0.19 CCOC(=O)C(F)NCCF 34a_100000724931_100000760018 [1,1,0,0,0,0|2,0,0]=4 2895 B10R0.19 CCOC(=O)C(F)NCCO 2230a_100016997473_100000760018 [1,1,0,0,0,0|2,0,0]=4 2896 B10R0.19 CCOC(=O)C(F)NCCO 34a_100016990907_100000760018 [1,1,0,0,0,0|2,0,0]=4 2897 B10R0.19 CCOC(=O)C(F)OCCBr 34a_100000211926_100000760018 [1,1,0,0,0,0|2,0,0]=4 2898 B10R0.19 CCOC(=O)C(F)OCCN 34a_100000210304_100000760018 [1,1,0,0,0,0|2,0,0]=4 2899 B10R0.19 CCOC(=O)C(F)SCCF 62a_100000760018_100011217306 [1,1,0,0,0,0|2,0,0]=4 2900 B10R0.19 CCOC(=O)C(F)SCCF 62a_100011217306_100000760018 [1,1,0,0,0,0|2,0,0]=4 2901 B10R0.19 CCOC(=O)C(F)SCCO 62a_100000211926_100000760018 [1,1,0,0,0,0|2,0,0]=4 2902 B10R0.19 CCOC(=O)C(F)SCCO 62a_100000760018_100000211926 [1,1,0,0,0,0|2,0,0]=4 2903 B10R0.19 CCOC(=O)C(F)SCOC 62a_100000760018_100000766300 [1,1,0,0,0,0|2,0,0]=4 2904 B10R0.19 CCOC(=O)C(F)SCOC 62a_100000766300_100000760018 [1,1,0,0,0,0|2,0,0]=4 2905 B10R0.19 CCOC(=O)C(F)SCSC 62a_100000760018_100011218213 [1,1,0,0,0,0|2,0,0]=4 2906 B10R0.19 CCOC(=O)C(F)SCSC 62a_100011218213_100000760018 [1,1,0,0,0,0|2,0,0]=4 2907 B10R0.19 CCOC(=O)[C@H](C)OCCF 7a_100000751109_100011217306 [1,1,0,0,0,0|2,0,0]=4 2908 B10R0.19 CCOC(=O)[C@H](C)OCCO 7a_100000751109_100000211926 [1,1,0,0,0,0|2,0,0]=4 2909 B10R0.24 C#CC(CCCCC)OCC 34a_100011216489_100000210202 [1,1,0,0,0,0|1,0,1]=4 2910 B10R0.24 C#CC(CCCCC)OCC 7a_100011216489_100000210202 [1,1,0,0,0,0|1,0,1]=4 2911 B10R0.24 C=CC(CCCCC)OCC 34a_100011216863_100000210202 [1,1,0,0,0,0|1,0,1]=4 2912 B10R0.24 C=CC(CCCCC)OCC 7a_100011216863_100000210202 [1,1,0,0,0,0|1,0,1]=4 2913 B10R0.24 CCCC(CCOCC)SC 34a_100000032865_100000210202 [1,1,0,0,0,0|0,1,1]=4 2914 B10R0.24 CCCC(CCOCC)SC 7a_100000032865_100000210202 [1,1,0,0,0,0|0,1,1]=4 2915 B10R0.24 CCCCCC(CC)OCC 34a_100011215405_100000210202 [1,1,0,0,0,0|1,0,1]=4 2916 B10R0.24 CCCCCC(CC)OCC 7a_100011215405_100000210202 [1,1,0,0,0,0|1,0,1]=4 2917 B10R0.24 CCCCCC(CCC)OC 34a_200011215058_200000210301 [1,1,0,0,0,0|1,0,1]=4 2918 B10R0.24 CCCCCC(CCC)OC 7a_200011215058_200000210301 [1,1,0,0,0,0|1,0,1]=4 2919 B10R0.24 CCCCCC(CCC)O[13CH3] 34a_200011215058_200025704644 [1,1,0,0,0,0|1,0,1]=4 2920 B10R0.24 CCCCCC(CCC)O[13CH3] 7a_200011215058_200025704644 [1,1,0,0,0,0|1,0,1]=4 2921 B10R0.83 C/C=C(\C)/C(=O)CCCCC 1458a_100020587367_100000210326 [1,1,0,0,0,0|1,0,1]=4 2922 B10R0.83 CCC(C)C(=O)CCCCF 1458a_100011192722_100000729493 [1,1,0,0,0,0|2,0,0]=4 2923 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100000695505_100000758301 [1,1,0,0,0,0|2,0,0]=4 2924 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100011192722_100000210776 [1,1,0,0,0,0|2,0,0]=4 2925 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100000741012_100000758301 [1,1,0,0,0,0|2,0,0]=4 2926 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100011192722_100000740836 [1,1,0,0,0,0|2,0,0]=4 2927 B10R0.83 CCC(C)C(=O)CCCSC 1458a_100000173376_100000758301 [1,1,0,0,0,0|2,0,0]=4 2928 B10R0.83 CCC(O)C(=O)CCCCF 1458a_100011196387_100000729493 [1,1,0,0,0,0|2,0,0]=4 2929 B10R0.83 CCC(O)C(=O)CCCCO 1458a_100011196387_100000210776 [1,1,0,0,0,0|2,0,0]=4 2930 B10R0.83 CCC(O)C(=O)CCCOC 1458a_100011196387_100000740836 [1,1,0,0,0,0|2,0,0]=4 2931 B10R0.83 CCCCCC(=O)C(=O)NC 1458a_100011218921_100000210326 [1,1,0,0,0,0|2,0,0]=4 2932 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100000212188_100000758301 [1,1,0,0,0,0|1,0,0]=3 2933 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100011192722_100000210326 [1,1,0,0,0,0|1,0,0]=3 2934 B10R0.83 CCCCCC(=O)C(C)OC 1458a_100000743197_100000210326 [1,1,0,0,0,0|2,0,0]=4 2935 B10R0.83 CCCCCC(=O)C(C)SC 1458a_100000149566_100000210326 [1,1,0,0,0,0|2,0,0]=4 2936 B10R0.83 CCCCCC(=O)C(O)CC 1458a_100011196387_100000210326 [1,1,0,0,0,0|1,0,0]=3 2937 B10R0.83 CCCCCC(=O)C(O)CO 1458a_100011215603_100000210326 [1,1,0,0,0,0|2,0,0]=4 2938 B10R0.83 CCCCCC(=O)N(C)CC 11a_100000225621_100000212188 [1,1,0,0,0,0|1,0,0]=3 2939 B10R0.83 CCCCCC(=O)N(C)CC 1626a_100000225621_100000212188 [1,1,0,0,0,0|1,0,0]=3 2940 B10R0.83 CCCCCC(=O)N(C)CC 240690a_100000225621_100000212188 [1,1,0,0,0,0|1,0,0]=3 2941 B10R0.83 CCCCCC(=O)N(C)CC 527a_100000225621_100000212188 [1,1,0,0,0,0|1,0,0]=3 2942 B10R0.83 CCCCNC(=O)C(C)CC 11a_100000102301_100011192722 [1,1,0,0,0,0|2,0,0]=4 2943 B10R0.83 CCCCNC(=O)C(C)CC 1626a_100000102301_100011192722 [1,1,0,0,0,0|2,0,0]=4 2944 B10R0.83 CCCCNC(=O)C(C)CC 240690a_100000102301_100011192722 [1,1,0,0,0,0|2,0,0]=4 2945 B10R0.83 CCCCNC(=O)C(C)CC 527a_100000102301_100011192722 [1,1,0,0,0,0|2,0,0]=4 2946 B10R0.83 CCCCNC(=O)C(O)CC 240690a_100000102301_100011196387 [1,1,0,0,0,0|2,0,0]=4 2947 B10R0.83 CCCCNC(=O)N(C)CC 2708a_100000102301_100000225621 [1,1,0,0,0,0|2,0,0]=4 2948 B10R0.83 CCCCNC(=O)N(C)CC 273464a_100000102301_100000225621 [1,1,0,0,0,0|2,0,0]=4 2949 B10R0.83 CCCOCC(=O)C(C)CC 1458a_100000745993_100000758301 [1,1,0,0,0,0|2,0,0]=4 2950 B10R0.83 CCCOCC(=O)N(C)CC 11a_100000225621_100000745993 [1,1,0,0,0,0|2,0,0]=4 2951 B10R0.83 CCCOCC(=O)N(C)CC 1626a_100000225621_100000745993 [1,1,0,0,0,0|2,0,0]=4 2952 B10R0.83 CCCOCC(=O)N(C)CC 240690a_100000225621_100000745993 [1,1,0,0,0,0|2,0,0]=4 2953 B10R0.83 CCCOCC(=O)N(C)CC 34a_100000210258_100000738999 [1,1,0,0,0,0|2,0,0]=4 2954 B10R0.83 CCCOCC(=O)N(C)CC 527a_100000225621_100000745993 [1,1,0,0,0,0|2,0,0]=4 2955 B10R0.83 CCCSCC(=O)C(C)CC 1458a_100000217233_100000758301 [1,1,0,0,0,0|2,0,0]=4 2956 B10R0.83 CCCSCC(=O)N(C)CC 11a_100000225621_100000217233 [1,1,0,0,0,0|2,0,0]=4 2957 B10R0.83 CCCSCC(=O)N(C)CC 1626a_100000225621_100000217233 [1,1,0,0,0,0|2,0,0]=4 2958 B10R0.83 CCCSCC(=O)N(C)CC 240690a_100000225621_100000217233 [1,1,0,0,0,0|2,0,0]=4 2959 B10R0.83 CCCSCC(=O)N(C)CC 527a_100000225621_100000217233 [1,1,0,0,0,0|2,0,0]=4 2960 B10R0.83 CCCSCC(=O)N(C)CC 62a_100000210303_100000738999 [1,1,0,0,0,0|2,0,0]=4 2961 B10R0.83 CCCSCC(=O)N(C)CC 62a_100000738999_100000210303 [1,1,0,0,0,0|2,0,0]=4 2962 B10R0.83 CCN(C)C(=O)CCCCO 1626a_100000225621_100000695505 [1,1,0,0,0,0|2,0,0]=4 2963 B10R0.83 CCN(C)C(=O)CCCOC 11a_100000225621_100000741012 [1,1,0,0,0,0|2,0,0]=4 2964 B10R0.83 CCN(C)C(=O)CCCOC 1626a_100000225621_100000741012 [1,1,0,0,0,0|2,0,0]=4 2965 B10R0.83 CCN(C)C(=O)CCCOC 240690a_100000225621_100000741012 [1,1,0,0,0,0|2,0,0]=4 2966 B10R0.83 CCN(C)C(=O)CCCOC 527a_100000225621_100000741012 [1,1,0,0,0,0|2,0,0]=4 2967 B10R0.83 CCN(C)C(=O)CCCSC 11a_100000225621_100000173376 [1,1,0,0,0,0|2,0,0]=4 2968 B10R0.83 CCN(C)C(=O)CCCSC 1626a_100000225621_100000173376 [1,1,0,0,0,0|2,0,0]=4 2969 B10R0.83 CCN(C)C(=O)CCCSC 240690a_100000225621_100000173376 [1,1,0,0,0,0|2,0,0]=4 2970 B10R0.83 CCN(C)C(=O)CCCSC 527a_100000225621_100000173376 [1,1,0,0,0,0|2,0,0]=4 2971 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100000749530_100000758301 [1,1,0,0,0,0|2,0,0]=4 2972 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100011192722_100011215890 [1,1,0,0,0,0|2,0,0]=4 2973 B10R0.83 CCOCCC(=O)C(O)CC 1458a_100011196387_100011215890 [1,1,0,0,0,0|2,0,0]=4 2974 B10R0.83 CCOCCC(=O)N(C)CC 11a_100000225621_100000749530 [1,1,0,0,0,0|2,0,0]=4 2975 B10R0.83 CCOCCC(=O)N(C)CC 1626a_100000225621_100000749530 [1,1,0,0,0,0|2,0,0]=4 2976 B10R0.83 CCOCCC(=O)N(C)CC 240690a_100000225621_100000749530 [1,1,0,0,0,0|2,0,0]=4 2977 B10R0.83 CCOCCC(=O)N(C)CC 527a_100000225621_100000749530 [1,1,0,0,0,0|2,0,0]=4 2978 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100000230768_100000758301 [1,1,0,0,0,0|2,0,0]=4 2979 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100011192722_100000757381 [1,1,0,0,0,0|2,0,0]=4 2980 B10R0.83 CCSCCC(=O)C(O)CC 1458a_100011196387_100000757381 [1,1,0,0,0,0|2,0,0]=4 2981 B10R0.83 CCSCCC(=O)N(C)CC 11a_100000225621_100000230768 [1,1,0,0,0,0|2,0,0]=4 2982 B10R0.83 CCSCCC(=O)N(C)CC 1626a_100000225621_100000230768 [1,1,0,0,0,0|2,0,0]=4 2983 B10R0.83 CCSCCC(=O)N(C)CC 240690a_100000225621_100000230768 [1,1,0,0,0,0|2,0,0]=4 2984 B10R0.83 CCSCCC(=O)N(C)CC 527a_100000225621_100000230768 [1,1,0,0,0,0|2,0,0]=4 2985 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000212188_100000753159 [1,1,0,0,0,0|1,0,1]=4 2986 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000692101_100000210326 [1,1,0,0,0,0|1,0,1]=4 2987 B10R0.91 C#CCCCC(=O)COCC 1458a_100000211967_100000731252 [1,1,0,0,0,0|0,0,2]=4 2988 B10R0.91 C#CCNC(=O)CCCCC 11a_100000212058_100000212188 [1,1,0,0,0,0|1,0,1]=4 2989 B10R0.91 C#CCNC(=O)CCCCC 1626a_100000212058_100000212188 [1,1,0,0,0,0|1,0,1]=4 2990 B10R0.91 C#CCNC(=O)CCCCC 240690a_100000212058_100000212188 [1,1,0,0,0,0|1,0,1]=4 2991 B10R0.91 C#CCNC(=O)CCCCC 527a_100000212058_100000212188 [1,1,0,0,0,0|1,0,1]=4 2992 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [1,1,0,0,0,0|1,0,1]=4 2993 B10R0.91 C=C(COCCC)OCOC 34a_100000210258_100000042856 [1,1,0,0,0,0|2,0,0]=4 2994 B10R0.91 C=C(CSCCC)OCOC 62a_100000042856_100000210303 [1,1,0,0,0,0|2,0,0]=4 2995 B10R0.91 C=C(CSCCC)OCOC 62a_100000210303_100000042856 [1,1,0,0,0,0|2,0,0]=4 2996 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [1,1,0,0,0,0|1,0,1]=4 2997 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [1,1,0,0,0,0|1,0,1]=4 2998 B10R0.91 C=CCCCC(=O)COCC 1458a_100000211967_100000757094 [1,1,0,0,0,0|0,0,2]=4 2999 B10R0.91 C=CCNC(=O)CCCCC 1626a_100020586998_100000212188 [1,1,0,0,0,0|1,0,1]=4 3000 B10R0.91 C=CCNC(=O)CCCCC 240690a_100020586998_100000212188 [1,1,0,0,0,0|1,0,1]=4 3001 B10R0.91 C=CCNC(=O)CCCCC 527a_100020586998_100000212188 [1,1,0,0,0,0|1,0,1]=4 3002 B10R0.91 C=CCOC(=O)COCCC 34a_100000210258_100000033060 [1,1,0,0,0,0|1,0,1]=4 3003 B10R0.91 C=CCOC(=O)CSCCC 62a_100000033060_100000210303 [1,1,0,0,0,0|1,0,1]=4 3004 B10R0.91 C=CCOC(=O)CSCCC 62a_100000210303_100000033060 [1,1,0,0,0,0|1,0,1]=4 3005 B10R0.91 CC#CCC(=O)CCCCC 1458a_100000212188_100000748600 [1,1,0,0,0,0|1,0,1]=4 3006 B10R0.91 CC/C=C\CC(=O)COCC 1458a_100000211967_100103147603 [1,1,0,0,0,0|0,0,2]=4 3007 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [1,1,0,0,0,0|1,0,1]=4 3008 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [1,1,0,0,0,0|1,0,1]=4 3009 B10R0.91 CC=NNC(=O)CCCCC 4a_100000189784_200000210099 [1,1,0,0,0,0|1,0,1]=4 3010 B10R0.91 CCC#CC(=O)CCCCC 1458a_100011827653_100000210326 [1,1,0,0,0,0|1,0,0]=3 3011 B10R0.91 CCC#CC(=O)CCCCF 1458a_100011827653_100000729493 [1,1,0,0,0,0|2,0,0]=4 3012 B10R0.91 CCC#CC(=O)CCCCO 1458a_100011827653_100000210776 [1,1,0,0,0,0|2,0,0]=4 3013 B10R0.91 CCC#CC(=O)CCCOC 1458a_100011827653_100000740836 [1,1,0,0,0,0|2,0,0]=4 3014 B10R0.91 CCC#CC(=O)CCOCC 1458a_100011827653_100011215890 [1,1,0,0,0,0|2,0,0]=4 3015 B10R0.91 CCC#CC(=O)CCSCC 1458a_100011827653_100000757381 [1,1,0,0,0,0|2,0,0]=4 3016 B10R0.91 CCC#CCC(=O)COCC 1458a_100000211967_100009813939 [1,1,0,0,0,0|0,0,2]=4 3017 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [1,1,0,0,0,0|1,0,0]=3 3018 B10R0.91 CCC=CC(=O)CCCCF 1458a_100000212282_100000729493 [1,1,0,0,0,0|2,0,0]=4 3019 B10R0.91 CCC=CC(=O)CCCCO 1458a_100000212282_100000210776 [1,1,0,0,0,0|2,0,0]=4 3020 B10R0.91 CCC=CC(=O)CCCOC 1458a_100000212282_100000740836 [1,1,0,0,0,0|2,0,0]=4 3021 B10R0.91 CCC=CC(=O)CCOCC 1458a_100000212282_100011215890 [1,1,0,0,0,0|2,0,0]=4 3022 B10R0.91 CCC=CC(=O)CCSCC 1458a_100000212282_100000757381 [1,1,0,0,0,0|2,0,0]=4 3023 B10R0.91 CCC=CC(=O)NCCCC 11a_100000102301_100000212282 [1,1,0,0,0,0|2,0,0]=4 3024 B10R0.91 CCC=CC(=O)NCCCC 1626a_100000102301_100000212282 [1,1,0,0,0,0|2,0,0]=4 3025 B10R0.91 CCC=CC(=O)NCCCC 240690a_100000102301_100000212282 [1,1,0,0,0,0|2,0,0]=4 3026 B10R0.91 CCCCC(=O)CCCCF 1458a_100000210183_100000729493 [1,1,0,0,0,0|2,0,0]=4 3027 B10R0.91 CCCCC(=O)CCCCO 1458a_100000210183_100000210776 [1,1,0,0,0,0|2,0,0]=4 3028 B10R0.91 CCCCC(=O)CCCCO 1458a_100000695505_100000210211 [1,1,0,0,0,0|2,0,0]=4 3029 B10R0.91 CCCCC(=O)CCCOC 1458a_100000210183_100000740836 [1,1,0,0,0,0|2,0,0]=4 3030 B10R0.91 CCCCC(=O)CCCOC 1458a_100000741012_100000210211 [1,1,0,0,0,0|2,0,0]=4 3031 B10R0.91 CCCCC(=O)CCCSC 1458a_100000173376_100000210211 [1,1,0,0,0,0|2,0,0]=4 3032 B10R0.91 CCCCC(=O)CCOCC 1458a_100000210183_100011215890 [1,1,0,0,0,0|2,0,0]=4 3033 B10R0.91 CCCCC(=O)CCOCC 1458a_100000749530_100000210211 [1,1,0,0,0,0|2,0,0]=4 3034 B10R0.91 CCCCC(=O)CCSCC 1458a_100000210183_100000757381 [1,1,0,0,0,0|2,0,0]=4 3035 B10R0.91 CCCCC(=O)CCSCC 1458a_100000230768_100000210211 [1,1,0,0,0,0|2,0,0]=4 3036 B10R0.91 CCCCC(=O)COCCC 1458a_100000745993_100000210211 [1,1,0,0,0,0|2,0,0]=4 3037 B10R0.91 CCCCC(=O)CSCCC 1458a_100000217233_100000210211 [1,1,0,0,0,0|2,0,0]=4 3038 B10R0.91 CCCCCC(=NNCC)C 4a_100000756455_100000211708 [1,1,0,0,0,0|2,0,0]=4 3039 B10R0.91 CCCCCC(=O)C#CCO 1458a_100000049017_100000210326 [1,1,0,0,0,0|1,0,1]=4 3040 B10R0.91 CCCCCC(=O)C=COC 1458a_100016268678_100000210326 [1,1,0,0,0,0|1,0,1]=4 3041 B10R0.91 CCCCCC(=O)CCC#N 1458a_100000212188_100011215226 [1,1,0,0,0,0|1,0,1]=4 3042 B10R0.91 CCCCCC(=O)CCC#N 1458a_100011934036_100000210326 [1,1,0,0,0,0|1,0,1]=4 3043 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [1,1,0,0,0,0|1,0,0]=3 3044 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [1,1,0,0,0,0|1,0,0]=3 3045 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [1,1,0,0,0,0|1,0,0]=3 3046 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [1,1,0,0,0,0|1,0,0]=3 3047 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [1,1,0,0,0,0|1,0,0]=3 3048 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [1,1,0,0,0,0|1,0,0]=3 3049 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [1,1,0,0,0,0|1,0,0]=3 3050 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [1,1,0,0,0,0|1,0,0]=3 3051 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [1,1,0,0,0,0|1,0,0]=3 3052 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [1,1,0,0,0,0|0,0,0]=2 3053 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [1,1,0,0,0,0|0,0,0]=2 3054 B10R0.91 CCCCCC(=O)CSCC 1458a_100000230394_100000210326 [1,1,0,0,0,0|0,1,0]=3 3055 B10R0.91 CCCCCC(=O)CSCC 62a_100000210202_200012276598 [1,1,0,0,0,0|0,1,0]=3 3056 B10R0.91 CCCCCC(=O)CSCC 62a_200012276598_100000210202 [1,1,0,0,0,0|0,1,0]=3 3057 B10R0.91 CCCCCC(=O)CSCF 62a_100015361967_200012276598 [1,1,0,0,0,0|1,1,0]=4 3058 B10R0.91 CCCCCC(=O)CSCF 62a_200012276598_100015361967 [1,1,0,0,0,0|1,1,0]=4 3059 B10R0.91 CCCCCC(=O)NCC#N 1626a_100000734998_100000212188 [1,1,0,0,0,0|1,0,1]=4 3060 B10R0.91 CCCCCC(=O)NCC#N 527a_100000734998_100000212188 [1,1,0,0,0,0|1,0,1]=4 3061 B10R0.91 CCCCCC(=O)NCCC 11a_100020643023_100000212188 [1,1,0,0,0,0|1,0,0]=3 3062 B10R0.91 CCCCCC(=O)NCCC 1626a_100020643023_100000212188 [1,1,0,0,0,0|1,0,0]=3 3063 B10R0.91 CCCCCC(=O)NCCC 240690a_100020643023_100000212188 [1,1,0,0,0,0|1,0,0]=3 3064 B10R0.91 CCCCCC(=O)NCCC 527a_100020643023_100000212188 [1,1,0,0,0,0|1,0,0]=3 3065 B10R0.91 CCCCCC(=O)NCCF 11a_100000724931_100000212188 [1,1,0,0,0,0|1,0,0]=3 3066 B10R0.91 CCCCCC(=O)NCCF 1626a_100000724931_100000212188 [1,1,0,0,0,0|1,0,0]=3 3067 B10R0.91 CCCCCC(=O)NCCF 240690a_100000724931_100000212188 [1,1,0,0,0,0|1,0,0]=3 3068 B10R0.91 CCCCCC(=O)NCCF 527a_100000724931_100000212188 [1,1,0,0,0,0|1,0,0]=3 3069 B10R0.91 CCCCCC(=O)NCCO 240690a_100000210304_100000212188 [1,1,0,0,0,0|1,0,0]=3 3070 B10R0.91 CCCCCC(=O)NCCO 527a_100000210304_100000212188 [1,1,0,0,0,0|1,0,0]=3 3071 B10R0.91 CCCCCC(=O)NNCC 22a_100000756455_100000212188 [1,1,0,0,0,0|1,0,0]=3 3072 B10R0.91 CCCCCC(C)OCCBr 34a_100000211926_200011218191 [1,1,0,0,0,0|1,0,1]=4 3073 B10R0.91 CCCCCC(C)OCCC 34a_100000210258_200011218191 [1,1,0,0,0,0|1,0,1]=4 3074 B10R0.91 CCCCCC(C)OCCC 34a_100011215632_100000210303 [1,1,0,0,0,0|1,0,1]=4 3075 B10R0.91 CCCCCC(C)OCCC 7a_100011215632_100000210303 [1,1,0,0,0,0|1,0,1]=4 3076 B10R0.91 CCCCCC(C)OCCF 34a_100011215632_100011217306 [1,1,0,0,0,0|1,0,1]=4 3077 B10R0.91 CCCCCC(C)OCCF 7a_100011215632_100011217306 [1,1,0,0,0,0|1,0,1]=4 3078 B10R0.91 CCCCCC(C)OCCN 34a_100000210304_200011218191 [1,1,0,0,0,0|1,0,1]=4 3079 B10R0.91 CCCCCC(C)OCCO 34a_100011215632_100000211926 [1,1,0,0,0,0|1,0,1]=4 3080 B10R0.91 CCCCCC(C)OCCO 7a_100011215632_100000211926 [1,1,0,0,0,0|1,0,1]=4 3081 B10R0.91 CCCCCC(C)OCSC 34a_100011215632_100011218213 [1,1,0,0,0,0|1,0,1]=4 3082 B10R0.91 CCCCCN(C)COCC 269982a_100000223495_100000739092 [1,1,0,0,0,0|2,0,0]=4 3083 B10R0.91 CCCCNC(=O)CCCC 11a_100000102301_100000210183 [1,1,0,0,0,0|2,0,0]=4 3084 B10R0.91 CCCCNC(=O)CCCC 1626a_100000102301_100000210183 [1,1,0,0,0,0|2,0,0]=4 3085 B10R0.91 CCCCNC(=O)CCCC 240690a_100000102301_100000210183 [1,1,0,0,0,0|2,0,0]=4 3086 B10R0.91 CCCCNC(=O)CCCC 527a_100000102301_100000210183 [1,1,0,0,0,0|2,0,0]=4 3087 B10R0.91 CCCCNC(=O)CCOC 11a_100000102301_100000749529 [1,1,0,0,0,0|2,0,0]=4 3088 B10R0.91 CCCCNC(=O)CCOC 1626a_100000102301_100000749529 [1,1,0,0,0,0|2,0,0]=4 3089 B10R0.91 CCCCNC(=O)CCOC 240690a_100000102301_100000749529 [1,1,0,0,0,0|2,0,0]=4 3090 B10R0.91 CCCCNC(=O)CCOC 527a_100000102301_100000749529 [1,1,0,0,0,0|2,0,0]=4 3091 B10R0.91 CCCCNC(=O)CCSC 11a_100000102301_100000174002 [1,1,0,0,0,0|2,0,0]=4 3092 B10R0.91 CCCCNC(=O)CCSC 1626a_100000102301_100000174002 [1,1,0,0,0,0|2,0,0]=4 3093 B10R0.91 CCCCNC(=O)CCSC 240690a_100000102301_100000174002 [1,1,0,0,0,0|2,0,0]=4 3094 B10R0.91 CCCCNC(=O)CCSC 527a_100000102301_100000174002 [1,1,0,0,0,0|2,0,0]=4 3095 B10R0.91 CCCCNC(=O)CNCC 2230a_100015525214_100000182744 [1,1,0,0,0,0|2,0,0]=4 3096 B10R0.91 CCCCNC(=O)COCC 11a_100000102301_100000211967 [1,1,0,0,0,0|1,0,0]=3 3097 B10R0.91 CCCCNC(=O)COCC 1626a_100000102301_100000211967 [1,1,0,0,0,0|1,0,0]=3 3098 B10R0.91 CCCCNC(=O)COCC 240690a_100000102301_100000211967 [1,1,0,0,0,0|1,0,0]=3 3099 B10R0.91 CCCCNC(=O)COCC 34a_100121572206_100000182744 [1,1,0,0,0,0|1,0,0]=3 3100 B10R0.91 CCCCNC(=O)COCC 527a_100000102301_100000211967 [1,1,0,0,0,0|1,0,0]=3 3101 B10R0.91 CCCCNC(=O)CSCC 11a_100000102301_100000230394 [1,1,0,0,0,0|1,1,0]=4 3102 B10R0.91 CCCCNC(=O)CSCC 1626a_100000102301_100000230394 [1,1,0,0,0,0|1,1,0]=4 3103 B10R0.91 CCCCNC(=O)CSCC 240690a_100000102301_100000230394 [1,1,0,0,0,0|1,1,0]=4 3104 B10R0.91 CCCCNC(=O)CSCC 527a_100000102301_100000230394 [1,1,0,0,0,0|1,1,0]=4 3105 B10R0.91 CCCCNC(=O)CSCC 62a_100000182744_100000210202 [1,1,0,0,0,0|1,1,0]=4 3106 B10R0.91 CCCCNC(=O)CSCC 62a_100000210202_100000182744 [1,1,0,0,0,0|1,1,0]=4 3107 B10R0.91 CCCCNC(=O)NCCC 2708a_100000102301_100020643023 [1,1,0,0,0,0|2,0,0]=4 3108 B10R0.91 CCCCNC(=O)NCCC 2708a_100020643023_100000102301 [1,1,0,0,0,0|2,0,0]=4 3109 B10R0.91 CCCCNC(=O)NCCC 273464a_100000102301_100020643023 [1,1,0,0,0,0|2,0,0]=4 3110 B10R0.91 CCCCNC(=O)NCCC 273464a_100020643023_100000102301 [1,1,0,0,0,0|2,0,0]=4 3111 B10R0.91 CCCCNC(=O)NCCC 512a_100000102301_100020643023 [1,1,0,0,0,0|2,0,0]=4 3112 B10R0.91 CCCCNC(=O)NCCC 512a_100020643023_100000102301 [1,1,0,0,0,0|2,0,0]=4 3113 B10R0.91 CCCCNC(=O)NCCF 2708a_100000102301_100000724931 [1,1,0,0,0,0|2,0,0]=4 3114 B10R0.91 CCCCNC(=O)NCCF 273464a_100000102301_100000724931 [1,1,0,0,0,0|2,0,0]=4 3115 B10R0.91 CCCCNC(=O)NCCF 273464a_100000724931_100000102301 [1,1,0,0,0,0|2,0,0]=4 3116 B10R0.91 CCCCNC(=O)NCCF 512a_100000102301_100000724931 [1,1,0,0,0,0|2,0,0]=4 3117 B10R0.91 CCCCNC(=O)NCCO 2708a_100000102301_100000210304 [1,1,0,0,0,0|2,0,0]=4 3118 B10R0.91 CCCCNC(=O)NCCO 273464a_100000102301_100000210304 [1,1,0,0,0,0|2,0,0]=4 3119 B10R0.91 CCCCNC(=O)NCCO 273464a_100000210304_100000102301 [1,1,0,0,0,0|2,0,0]=4 3120 B10R0.91 CCCCNC(=O)NCCO 512a_100000102301_100000210304 [1,1,0,0,0,0|2,0,0]=4 3121 B10R0.91 CCCCNC(=O)NNCC 273464a_100000102301_100000756455 [1,1,0,0,0,0|2,0,0]=4 3122 B10R0.91 CCCCNC(=O)NNCC 512a_100000102301_100000756455 [1,1,0,0,0,0|2,0,0]=4 3123 B10R0.91 CCCCNC(=O)NNCC 512a_100000756455_100000102301 [1,1,0,0,0,0|2,0,0]=4 3124 B10R0.91 CCCCOC(=O)CNCC 2230a_100015525214_100000211628 [1,1,0,0,0,0|2,0,0]=4 3125 B10R0.91 CCCCOC(=O)COCC 34a_100121572206_100000211628 [1,1,0,0,0,0|1,0,0]=3 3126 B10R0.91 CCCCOC(=O)CSCC 62a_100000210202_100000211628 [1,1,0,0,0,0|1,1,0]=4 3127 B10R0.91 CCCCOC(=O)CSCC 62a_100000211628_100000210202 [1,1,0,0,0,0|1,1,0]=4 3128 B10R0.91 CCCNC(=O)CCCCO 1626a_100020643023_100000695505 [1,1,0,0,0,0|2,0,0]=4 3129 B10R0.91 CCCNC(=O)CCCNC 2230a_106832991635_100011194427 [1,1,0,0,0,0|2,0,0]=4 3130 B10R0.91 CCCNC(=O)CCCNC 7a_106832991635_100011194427 [1,1,0,0,0,0|2,0,0]=4 3131 B10R0.91 CCCNC(=O)CCCOC 11a_100020643023_100000741012 [1,1,0,0,0,0|2,0,0]=4 3132 B10R0.91 CCCNC(=O)CCCOC 1626a_100020643023_100000741012 [1,1,0,0,0,0|2,0,0]=4 3133 B10R0.91 CCCNC(=O)CCCOC 240690a_100020643023_100000741012 [1,1,0,0,0,0|2,0,0]=4 3134 B10R0.91 CCCNC(=O)CCCOC 527a_100020643023_100000741012 [1,1,0,0,0,0|2,0,0]=4 3135 B10R0.91 CCCNC(=O)CCCSC 11a_100020643023_100000173376 [1,1,0,0,0,0|2,0,0]=4 3136 B10R0.91 CCCNC(=O)CCCSC 1626a_100020643023_100000173376 [1,1,0,0,0,0|2,0,0]=4 3137 B10R0.91 CCCNC(=O)CCCSC 240690a_100020643023_100000173376 [1,1,0,0,0,0|2,0,0]=4 3138 B10R0.91 CCCNC(=O)CCCSC 527a_100020643023_100000173376 [1,1,0,0,0,0|2,0,0]=4 3139 B10R0.91 CCCNC(=O)CCCSC 62a_100011194427_200000210301 [1,1,0,0,0,0|2,0,0]=4 3140 B10R0.91 CCCNC(=O)CCCSC 62a_200000210301_100011194427 [1,1,0,0,0,0|2,0,0]=4 3141 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_100011194427_200025704644 [1,1,0,0,0,0|2,0,0]=4 3142 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_200025704644_100011194427 [1,1,0,0,0,0|2,0,0]=4 3143 B10R0.91 CCCNC(=O)CCOCC 11a_100020643023_100000749530 [1,1,0,0,0,0|2,0,0]=4 3144 B10R0.91 CCCNC(=O)CCOCC 1626a_100020643023_100000749530 [1,1,0,0,0,0|2,0,0]=4 3145 B10R0.91 CCCNC(=O)CCOCC 240690a_100020643023_100000749530 [1,1,0,0,0,0|2,0,0]=4 3146 B10R0.91 CCCNC(=O)CCOCC 527a_100020643023_100000749530 [1,1,0,0,0,0|2,0,0]=4 3147 B10R0.91 CCCNC(=O)CCSCC 11a_100020643023_100000230768 [1,1,0,0,0,0|2,0,0]=4 3148 B10R0.91 CCCNC(=O)CCSCC 1626a_100020643023_100000230768 [1,1,0,0,0,0|2,0,0]=4 3149 B10R0.91 CCCNC(=O)CCSCC 240690a_100020643023_100000230768 [1,1,0,0,0,0|2,0,0]=4 3150 B10R0.91 CCCNC(=O)CCSCC 527a_100020643023_100000230768 [1,1,0,0,0,0|2,0,0]=4 3151 B10R0.91 CCCNC(=O)COCCC 11a_100020643023_100000745993 [1,1,0,0,0,0|2,0,0]=4 3152 B10R0.91 CCCNC(=O)COCCC 1626a_100020643023_100000745993 [1,1,0,0,0,0|2,0,0]=4 3153 B10R0.91 CCCNC(=O)COCCC 240690a_100020643023_100000745993 [1,1,0,0,0,0|2,0,0]=4 3154 B10R0.91 CCCNC(=O)COCCC 34a_100000210258_100000183358 [1,1,0,0,0,0|2,0,0]=4 3155 B10R0.91 CCCNC(=O)COCCC 527a_100020643023_100000745993 [1,1,0,0,0,0|2,0,0]=4 3156 B10R0.91 CCCNC(=O)CSCCC 11a_100020643023_100000217233 [1,1,0,0,0,0|2,0,0]=4 3157 B10R0.91 CCCNC(=O)CSCCC 1626a_100020643023_100000217233 [1,1,0,0,0,0|2,0,0]=4 3158 B10R0.91 CCCNC(=O)CSCCC 240690a_100020643023_100000217233 [1,1,0,0,0,0|2,0,0]=4 3159 B10R0.91 CCCNC(=O)CSCCC 527a_100020643023_100000217233 [1,1,0,0,0,0|2,0,0]=4 3160 B10R0.91 CCCNC(=O)CSCCC 62a_100000183358_100000210303 [1,1,0,0,0,0|2,0,0]=4 3161 B10R0.91 CCCNC(=O)CSCCC 62a_100000210303_100000183358 [1,1,0,0,0,0|2,0,0]=4 3162 B10R0.91 CCCNC(C)CCOCC 270004a_100020643023_200011216536 [1,1,0,0,0,0|1,0,1]=4 3163 B10R0.91 CCCNCC(=O)NCCC 2230a_100000174927_100000210303 [1,1,0,0,0,0|2,0,0]=4 3164 B10R0.91 CCCNCC(=O)NCCF 2230a_100000725713_100000210303 [1,1,0,0,0,0|2,0,0]=4 3165 B10R0.91 CCCNCC(O)COCC 2230a_102515437182_100000210303 [1,1,0,0,0,0|2,0,0]=4 3166 B10R0.91 CCCNCC(O)COCC 34a_102515437182_100000210303 [1,1,0,0,0,0|2,0,0]=4 3167 B10R0.91 CCCNNC(=O)COCC 22a_100000740057_100000211967 [1,1,0,0,0,0|2,0,0]=4 3168 B10R0.91 CCCOC(=O)CNCCF 34a_100000724931_200011215008 [1,1,0,0,0,0|2,0,0]=4 3169 B10R0.91 CCCOC(=O)CNCCO 2230a_100016997473_200011215008 [1,1,0,0,0,0|2,0,0]=4 3170 B10R0.91 CCCOC(=O)CNCCO 34a_100016990907_200011215008 [1,1,0,0,0,0|2,0,0]=4 3171 B10R0.91 CCCOC(=O)COCCBr 34a_100000211926_200011215008 [1,1,0,0,0,0|2,0,0]=4 3172 B10R0.91 CCCOC(=O)COCCN 34a_100000210304_200011215008 [1,1,0,0,0,0|2,0,0]=4 3173 B10R0.91 CCCOC(=O)CSCCC 62a_100000210303_200011215008 [1,1,0,0,0,0|1,0,0]=3 3174 B10R0.91 CCCOC(=O)CSCCC 62a_200011215008_100000210303 [1,1,0,0,0,0|1,0,0]=3 3175 B10R0.91 CCCOC(=O)CSCCF 62a_100011217306_200011215008 [1,1,0,0,0,0|2,0,0]=4 3176 B10R0.91 CCCOC(=O)CSCCF 62a_200011215008_100011217306 [1,1,0,0,0,0|2,0,0]=4 3177 B10R0.91 CCCOC(=O)CSCCO 62a_100000211926_200011215008 [1,1,0,0,0,0|2,0,0]=4 3178 B10R0.91 CCCOC(=O)CSCCO 62a_200011215008_100000211926 [1,1,0,0,0,0|2,0,0]=4 3179 B10R0.91 CCCOC(=O)CSCOC 62a_100000766300_200011215008 [1,1,0,0,0,0|2,0,0]=4 3180 B10R0.91 CCCOC(=O)CSCOC 62a_200011215008_100000766300 [1,1,0,0,0,0|2,0,0]=4 3181 B10R0.91 CCCOC(=O)CSCSC 62a_100011218213_200011215008 [1,1,0,0,0,0|2,0,0]=4 3182 B10R0.91 CCCOC(=O)CSCSC 62a_200011215008_100011218213 [1,1,0,0,0,0|2,0,0]=4 3183 B10R0.91 CCCOC(=O)OCOCC 34a_100121572206_200000139673 [1,1,0,0,0,0|2,0,0]=4 3184 B10R0.91 CCCOC(=O)OCSCC 62a_100000210202_200000139673 [1,1,0,0,0,0|2,0,0]=4 3185 B10R0.91 CCCOCC(=O)CCCF 1458a_100000745993_100011934791 [1,1,0,0,0,0|2,0,0]=4 3186 B10R0.91 CCCOCC(=O)CCCO 1458a_100000745993_100011215043 [1,1,0,0,0,0|2,0,0]=4 3187 B10R0.91 CCCOCC(=O)CCOC 1458a_100000745993_100000233755 [1,1,0,0,0,0|2,0,0]=4 3188 B10R0.91 CCCOCC(=O)CCSC 1458a_100000745993_100000751147 [1,1,0,0,0,0|2,0,0]=4 3189 B10R0.91 CCCOCC(=O)NCCF 11a_100000724931_100000745993 [1,1,0,0,0,0|2,0,0]=4 3190 B10R0.91 CCCOCC(=O)NCCF 1626a_100000724931_100000745993 [1,1,0,0,0,0|2,0,0]=4 3191 B10R0.91 CCCOCC(=O)NCCF 240690a_100000724931_100000745993 [1,1,0,0,0,0|2,0,0]=4 3192 B10R0.91 CCCOCC(=O)NCCF 527a_100000724931_100000745993 [1,1,0,0,0,0|2,0,0]=4 3193 B10R0.91 CCCOCC(=O)NCCO 240690a_100000210304_100000745993 [1,1,0,0,0,0|2,0,0]=4 3194 B10R0.91 CCCOCC(=O)NCCO 527a_100000210304_100000745993 [1,1,0,0,0,0|2,0,0]=4 3195 B10R0.91 CCCOCC(=O)NNCC 22a_100000756455_100000745993 [1,1,0,0,0,0|2,0,0]=4 3196 B10R0.91 CCCOCC(=O)OCCC 34a_100000210258_200011215008 [1,1,0,0,0,0|1,0,0]=3 3197 B10R0.91 CCCSCC(=O)CCCF 1458a_100000217233_100011934791 [1,1,0,0,0,0|2,0,0]=4 3198 B10R0.91 CCCSCC(=O)CCCO 1458a_100000217233_100011215043 [1,1,0,0,0,0|2,0,0]=4 3199 B10R0.91 CCCSCC(=O)CCOC 1458a_100000217233_100000233755 [1,1,0,0,0,0|2,0,0]=4 3200 B10R0.91 CCCSCC(=O)CCSC 1458a_100000217233_100000751147 [1,1,0,0,0,0|2,0,0]=4 3201 B10R0.91 CCCSCC(=O)NCCF 11a_100000724931_100000217233 [1,1,0,0,0,0|2,0,0]=4 3202 B10R0.91 CCCSCC(=O)NCCF 1626a_100000724931_100000217233 [1,1,0,0,0,0|2,0,0]=4 3203 B10R0.91 CCCSCC(=O)NCCF 240690a_100000724931_100000217233 [1,1,0,0,0,0|2,0,0]=4 3204 B10R0.91 CCCSCC(=O)NCCF 527a_100000724931_100000217233 [1,1,0,0,0,0|2,0,0]=4 3205 B10R0.91 CCCSCC(=O)NCCO 240690a_100000210304_100000217233 [1,1,0,0,0,0|2,0,0]=4 3206 B10R0.91 CCCSCC(=O)NCCO 527a_100000210304_100000217233 [1,1,0,0,0,0|2,0,0]=4 3207 B10R0.91 CCCSCC(=O)NNCC 22a_100000756455_100000217233 [1,1,0,0,0,0|2,0,0]=4 3208 B10R0.91 CCNNC(=O)CCCOC 22a_100000756455_100000741012 [1,1,0,0,0,0|2,0,0]=4 3209 B10R0.91 CCNNC(=O)CCCSC 22a_100000756455_100000173376 [1,1,0,0,0,0|2,0,0]=4 3210 B10R0.91 CCNNC(=O)CCOCC 22a_100000756455_100000749530 [1,1,0,0,0,0|2,0,0]=4 3211 B10R0.91 CCNNC(=O)CCSCC 22a_100000756455_100000230768 [1,1,0,0,0,0|2,0,0]=4 3212 B10R0.91 CCOCC(=O)CCCC#N 1458a_100000211967_100000211468 [1,1,0,0,0,0|1,0,1]=4 3213 B10R0.91 CCOCC(=O)CCCCF 1458a_100000211967_100000729493 [1,1,0,0,0,0|1,0,0]=3 3214 B10R0.91 CCOCC(=O)CCCCO 1458a_100000211967_100000210776 [1,1,0,0,0,0|1,0,0]=3 3215 B10R0.91 CCOCC(=O)CCCOC 1458a_100000211967_100000740836 [1,1,0,0,0,0|1,0,0]=3 3216 B10R0.91 CCOCC(=O)CCSCC 1458a_100000211967_100000757381 [1,1,0,0,0,0|1,0,0]=3 3217 B10R0.91 CCOCC(=O)NCCCF 11a_100015189416_100000211967 [1,1,0,0,0,0|2,0,0]=4 3218 B10R0.91 CCOCC(=O)NCCCF 1626a_100015189416_100000211967 [1,1,0,0,0,0|2,0,0]=4 3219 B10R0.91 CCOCC(=O)NCCCF 240690a_100015189416_100000211967 [1,1,0,0,0,0|2,0,0]=4 3220 B10R0.91 CCOCC(=O)NCCCF 527a_100015189416_100000211967 [1,1,0,0,0,0|2,0,0]=4 3221 B10R0.91 CCOCC(=O)NCCCO 240690a_100000182051_100000211967 [1,1,0,0,0,0|2,0,0]=4 3222 B10R0.91 CCOCC(=O)NCCCO 527a_100000182051_100000211967 [1,1,0,0,0,0|2,0,0]=4 3223 B10R0.91 CCOCC(=O)NCCOC 1626a_100000209980_100000211967 [1,1,0,0,0,0|2,0,0]=4 3224 B10R0.91 CCOCC(=O)NCCOC 240690a_100000209980_100000211967 [1,1,0,0,0,0|2,0,0]=4 3225 B10R0.91 CCOCC(=O)NCCOC 34a_100121572206_100000183275 [1,1,0,0,0,0|2,0,0]=4 3226 B10R0.91 CCOCC(=O)NCCOC 527a_100000209980_100000211967 [1,1,0,0,0,0|2,0,0]=4 3227 B10R0.91 CCOCC(=O)NCCSC 11a_100020590264_100000211967 [1,1,0,0,0,0|2,0,0]=4 3228 B10R0.91 CCOCC(=O)NCCSC 1626a_100020590264_100000211967 [1,1,0,0,0,0|2,0,0]=4 3229 B10R0.91 CCOCC(=O)NCCSC 240690a_100020590264_100000211967 [1,1,0,0,0,0|2,0,0]=4 3230 B10R0.91 CCOCC(=O)NCCSC 527a_100020590264_100000211967 [1,1,0,0,0,0|2,0,0]=4 3231 B10R0.91 CCOCC(=O)OCCOC 34a_100121572206_200000040189 [1,1,0,0,0,0|2,0,0]=4 3232 B10R0.91 CCOCCC(=O)CCCF 1458a_100000749530_100011934791 [1,1,0,0,0,0|2,0,0]=4 3233 B10R0.91 CCOCCC(=O)CCCO 1458a_100000749530_100011215043 [1,1,0,0,0,0|2,0,0]=4 3234 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749529_100011215890 [1,1,0,0,0,0|2,0,0]=4 3235 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749530_100000233755 [1,1,0,0,0,0|2,0,0]=4 3236 B10R0.91 CCOCCC(=O)CCSC 1458a_100000174002_100011215890 [1,1,0,0,0,0|2,0,0]=4 3237 B10R0.91 CCOCCC(=O)CCSC 1458a_100000749530_100000751147 [1,1,0,0,0,0|2,0,0]=4 3238 B10R0.91 CCOCCC(=O)COCC 1458a_100000211967_100011215890 [1,1,0,0,0,0|1,0,0]=3 3239 B10R0.91 CCOCCC(=O)CSCC 1458a_100000230394_100011215890 [1,1,0,0,0,0|1,1,0]=4 3240 B10R0.91 CCOCCC(=O)NCCF 11a_100000724931_100000749530 [1,1,0,0,0,0|2,0,0]=4 3241 B10R0.91 CCOCCC(=O)NCCF 1626a_100000724931_100000749530 [1,1,0,0,0,0|2,0,0]=4 3242 B10R0.91 CCOCCC(=O)NCCF 240690a_100000724931_100000749530 [1,1,0,0,0,0|2,0,0]=4 3243 B10R0.91 CCOCCC(=O)NCCF 527a_100000724931_100000749530 [1,1,0,0,0,0|2,0,0]=4 3244 B10R0.91 CCOCCC(=O)NCCO 240690a_100000210304_100000749530 [1,1,0,0,0,0|2,0,0]=4 3245 B10R0.91 CCOCCC(=O)NCCO 527a_100000210304_100000749530 [1,1,0,0,0,0|2,0,0]=4 3246 B10R0.91 CCSCC(=O)CCCCF 1458a_100000230394_100000729493 [1,1,0,0,0,0|1,1,0]=4 3247 B10R0.91 CCSCC(=O)CCCCO 1458a_100000230394_100000210776 [1,1,0,0,0,0|1,1,0]=4 3248 B10R0.91 CCSCC(=O)CCCOC 1458a_100000230394_100000740836 [1,1,0,0,0,0|1,1,0]=4 3249 B10R0.91 CCSCCC(=O)CCCF 1458a_100000230768_100011934791 [1,1,0,0,0,0|2,0,0]=4 3250 B10R0.91 CCSCCC(=O)CCCO 1458a_100000230768_100011215043 [1,1,0,0,0,0|2,0,0]=4 3251 B10R0.91 CCSCCC(=O)CCOC 1458a_100000230768_100000233755 [1,1,0,0,0,0|2,0,0]=4 3252 B10R0.91 CCSCCC(=O)CCOC 1458a_100000749529_100000757381 [1,1,0,0,0,0|2,0,0]=4 3253 B10R0.91 CCSCCC(=O)CCSC 1458a_100000174002_100000757381 [1,1,0,0,0,0|2,0,0]=4 3254 B10R0.91 CCSCCC(=O)CCSC 1458a_100000230768_100000751147 [1,1,0,0,0,0|2,0,0]=4 3255 B10R0.91 CCSCCC(=O)CSCC 1458a_100000230394_100000757381 [1,1,0,0,0,0|1,1,0]=4 3256 B10R0.91 CCSCCC(=O)NCCF 11a_100000724931_100000230768 [1,1,0,0,0,0|2,0,0]=4 3257 B10R0.91 CCSCCC(=O)NCCF 1626a_100000724931_100000230768 [1,1,0,0,0,0|2,0,0]=4 3258 B10R0.91 CCSCCC(=O)NCCF 240690a_100000724931_100000230768 [1,1,0,0,0,0|2,0,0]=4 3259 B10R0.91 CCSCCC(=O)NCCF 527a_100000724931_100000230768 [1,1,0,0,0,0|2,0,0]=4 3260 B10R0.91 CCSCCC(=O)NCCO 240690a_100000210304_100000230768 [1,1,0,0,0,0|2,0,0]=4 3261 B10R0.91 CCSCCC(=O)NCCO 527a_100000210304_100000230768 [1,1,0,0,0,0|2,0,0]=4 3262 B10R0.91 COCCC(=O)CCCCF 1458a_100000749529_100000729493 [1,1,0,0,0,0|2,0,0]=4 3263 B10R0.91 COCCC(=O)CCCCO 1458a_100000695505_100000233755 [1,1,0,0,0,0|2,0,0]=4 3264 B10R0.91 COCCC(=O)CCCCO 1458a_100000749529_100000210776 [1,1,0,0,0,0|2,0,0]=4 3265 B10R0.91 COCCC(=O)CCCSC 1458a_100000173376_100000233755 [1,1,0,0,0,0|2,0,0]=4 3266 B10R0.91 COCCCC(=O)CCCF 1458a_100000741012_100011934791 [1,1,0,0,0,0|2,0,0]=4 3267 B10R0.91 COCCCC(=O)CCCO 1458a_100000741012_100011215043 [1,1,0,0,0,0|2,0,0]=4 3268 B10R0.91 COCCCC(=O)CCOC 1458a_100000741012_100000233755 [1,1,0,0,0,0|2,0,0]=4 3269 B10R0.91 COCCCC(=O)CCOC 1458a_100000749529_100000740836 [1,1,0,0,0,0|2,0,0]=4 3270 B10R0.91 COCCCC(=O)CCSC 1458a_100000174002_100000740836 [1,1,0,0,0,0|2,0,0]=4 3271 B10R0.91 COCCCC(=O)CCSC 1458a_100000741012_100000751147 [1,1,0,0,0,0|2,0,0]=4 3272 B10R0.91 COCCCC(=O)NCCF 11a_100000724931_100000741012 [1,1,0,0,0,0|2,0,0]=4 3273 B10R0.91 COCCCC(=O)NCCF 1626a_100000724931_100000741012 [1,1,0,0,0,0|2,0,0]=4 3274 B10R0.91 COCCCC(=O)NCCF 240690a_100000724931_100000741012 [1,1,0,0,0,0|2,0,0]=4 3275 B10R0.91 COCCCC(=O)NCCF 527a_100000724931_100000741012 [1,1,0,0,0,0|2,0,0]=4 3276 B10R0.91 COCCCC(=O)NCCO 240690a_100000210304_100000741012 [1,1,0,0,0,0|2,0,0]=4 3277 B10R0.91 COCCCC(=O)NCCO 527a_100000210304_100000741012 [1,1,0,0,0,0|2,0,0]=4 3278 B10R0.91 CSCCC(=O)CCCCF 1458a_100000174002_100000729493 [1,1,0,0,0,0|2,0,0]=4 3279 B10R0.91 CSCCC(=O)CCCCO 1458a_100000174002_100000210776 [1,1,0,0,0,0|2,0,0]=4 3280 B10R0.91 CSCCC(=O)CCCCO 1458a_100000695505_100000751147 [1,1,0,0,0,0|2,0,0]=4 3281 B10R0.91 CSCCCC(=O)CCCF 1458a_100000173376_100011934791 [1,1,0,0,0,0|2,0,0]=4 3282 B10R0.91 CSCCCC(=O)CCCO 1458a_100000173376_100011215043 [1,1,0,0,0,0|2,0,0]=4 3283 B10R0.91 CSCCCC(=O)CCSC 1458a_100000173376_100000751147 [1,1,0,0,0,0|2,0,0]=4 3284 B10R0.91 CSCCCC(=O)NCCF 11a_100000724931_100000173376 [1,1,0,0,0,0|2,0,0]=4 3285 B10R0.91 CSCCCC(=O)NCCF 1626a_100000724931_100000173376 [1,1,0,0,0,0|2,0,0]=4 3286 B10R0.91 CSCCCC(=O)NCCF 240690a_100000724931_100000173376 [1,1,0,0,0,0|2,0,0]=4 3287 B10R0.91 CSCCCC(=O)NCCF 527a_100000724931_100000173376 [1,1,0,0,0,0|2,0,0]=4 3288 B10R0.91 CSCCCC(=O)NCCO 240690a_100000210304_100000173376 [1,1,0,0,0,0|2,0,0]=4 3289 B10R0.91 CSCCCC(=O)NCCO 527a_100000210304_100000173376 [1,1,0,0,0,0|2,0,0]=4 3290 B10R0.91 O=C(CCCCO)NCCF 1626a_100000724931_100000695505 [1,1,0,0,0,0|2,0,0]=4 3291 B10R0.91 O=C(CCCF)CCCCO 1458a_100000695505_100011934791 [1,1,0,0,0,0|2,0,0]=4 3292 B10R0.91 O=C(CCCO)CCCCO 1458a_100000695505_100011215043 [1,1,0,0,0,0|2,0,0]=4 3293 B10R0.108 CCC(C)CCC(=O)CCF 1458a_100000701222_100011217306 [1,1,0,0,0,0|2,0,0]=4 3294 B10R0.108 CCC(C)CCC(=O)CCO 1458a_100000701222_100000211926 [1,1,0,0,0,0|2,0,0]=4 3295 B10R0.108 CCC(C)CCC(=O)NNC 22a_100016993582_100000701222 [1,1,0,0,0,0|2,0,0]=4 3296 B10R0.108 CCC(O)CCC(=O)NNC 22a_100016993582_203496584001 [1,1,0,0,0,0|2,0,0]=4 3297 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [1,1,0,0,0,0|1,0,0]=3 3298 B10R0.108 CCCC(=O)CCN(C)CC 1458a_100000755305_100000210303 [1,1,0,0,0,0|2,0,0]=4 3299 B10R0.108 CCCC(=O)CCS(=O)CC 1458a_100011387550_100000210303 [1,1,0,0,0,0|2,0,0]=4 3300 B10R0.108 CCCC(=O)CNC(C)CC 2230a_100000209981_100000747444 [1,1,0,0,0,0|2,0,0]=4 3301 B10R0.108 CCCC(=O)COC(C)CC 7a_100000210228_100000747444 [1,1,0,0,0,0|2,0,0]=4 3302 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000747444_100000758301 [1,1,0,0,0,0|2,0,0]=4 3303 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000758301_100000747444 [1,1,0,0,0,0|2,0,0]=4 3304 B10R0.108 CCCC(=O)NCC(C)CC 11a_100020588543_100000211992 [1,1,0,0,0,0|2,0,0]=4 3305 B10R0.108 CCCC(=O)NCC(C)CC 1626a_100020588543_100000211992 [1,1,0,0,0,0|2,0,0]=4 3306 B10R0.108 CCCC(=O)NCC(C)CC 240690a_100020588543_100000211992 [1,1,0,0,0,0|2,0,0]=4 3307 B10R0.108 CCCC(=O)NCC(C)CC 527a_100020588543_100000211992 [1,1,0,0,0,0|2,0,0]=4 3308 B10R0.108 CCCC(=O)NCC(O)CC 11a_100011218483_100000211992 [1,1,0,0,0,0|2,0,0]=4 3309 B10R0.108 CCCC(=O)NCC(O)CC 240690a_100011218483_100000211992 [1,1,0,0,0,0|2,0,0]=4 3310 B10R0.108 CCCC(=O)NCC(O)CC 527a_100011218483_100000211992 [1,1,0,0,0,0|2,0,0]=4 3311 B10R0.108 CCNC(=O)CCC(=O)CC 1458a_100000199579_100000210202 [1,1,0,0,0,0|1,0,1]=4 3312 B10R0.108 CCNC(=O)CCC(C)CC 11a_100015525214_100000701222 [1,1,0,0,0,0|1,0,0]=3 3313 B10R0.108 CCNC(=O)CCC(C)CC 240690a_100015525214_100000701222 [1,1,0,0,0,0|1,0,0]=3 3314 B10R0.108 CCNC(=O)CCC(C)CC 527a_100015525214_100000701222 [1,1,0,0,0,0|1,0,0]=3 3315 B10R0.108 CCNC(=O)CCC(O)CC 240690a_100015525214_203496584001 [1,1,0,0,0,0|1,0,0]=3 3316 B10R0.108 CCNC(=O)CCN(C)CC 2230a_100000225621_100000737597 [1,1,0,0,0,0|2,0,0]=4 3317 B10R0.108 CCNC(=O)CCN(C)CC 240690a_100015525214_100000755305 [1,1,0,0,0,0|2,0,0]=4 3318 B10R0.108 CCNC(=O)CCN(C)CC 269982a_100000225621_100000737597 [1,1,0,0,0,0|2,0,0]=4 3319 B10R0.108 CCNC(=O)CCS(=O)CC 11a_100015525214_100011387550 [1,1,0,0,0,0|2,0,0]=4 3320 B10R0.108 CCNC(=O)CCS(=O)CC 240690a_100015525214_100011387550 [1,1,0,0,0,0|2,0,0]=4 3321 B10R0.108 CCNC(=O)CCS(=O)CC 527a_100015525214_100011387550 [1,1,0,0,0,0|2,0,0]=4 3322 B10R0.108 CCNC(=O)CNC(C)CC 2230a_100000209981_100000183381 [1,1,0,0,0,0|2,0,0]=4 3323 B10R0.108 CCNC(=O)CNC(C)CC 2230a_100016988866_100000758301 [1,1,0,0,0,0|2,0,0]=4 3324 B10R0.108 CCNC(=O)COC(C)CC 7a_100000210228_100000183381 [1,1,0,0,0,0|2,0,0]=4 3325 B10R0.108 CCNC(=O)CSC(C)CC 62a_100000183381_100000758301 [1,1,0,0,0,0|2,0,0]=4 3326 B10R0.108 CCNC(=O)CSC(C)CC 62a_100000758301_100000183381 [1,1,0,0,0,0|2,0,0]=4 3327 B10R0.108 CCNC(=O)NCC(C)CC 2708a_100015525214_100020588543 [1,1,0,0,0,0|2,0,0]=4 3328 B10R0.108 CCNC(=O)NCC(C)CC 2708a_100020588543_100015525214 [1,1,0,0,0,0|2,0,0]=4 3329 B10R0.108 CCNC(=O)NCC(C)CC 273464a_100015525214_100020588543 [1,1,0,0,0,0|2,0,0]=4 3330 B10R0.108 CCNC(=O)NCC(C)CC 273464a_100020588543_100015525214 [1,1,0,0,0,0|2,0,0]=4 3331 B10R0.108 CCNC(=O)NCC(C)CC 512a_100015525214_100020588543 [1,1,0,0,0,0|2,0,0]=4 3332 B10R0.108 CCNC(=O)NCC(C)CC 512a_100020588543_100015525214 [1,1,0,0,0,0|2,0,0]=4 3333 B10R0.108 CCNC(=O)NCC(O)CC 2708a_100015525214_100011218483 [1,1,0,0,0,0|2,0,0]=4 3334 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100011218483_100015525214 [1,1,0,0,0,0|2,0,0]=4 3335 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100015525214_100011218483 [1,1,0,0,0,0|2,0,0]=4 3336 B10R0.108 CCNC(=O)NCC(O)CC 512a_100011218483_100015525214 [1,1,0,0,0,0|2,0,0]=4 3337 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [1,1,0,0,0,0|0,0,1]=3 3338 B10R0.108 CCOC(=O)CCC(=O)CF 1458a_100000183558_100015361967 [1,1,0,0,0,0|1,0,1]=4 3339 B10R0.108 CCOC(=O)CCC(=O)NC 11a_106832991635_100000183558 [1,1,0,0,0,0|1,0,1]=4 3340 B10R0.108 CCOC(=O)CCC(=O)NC 1626a_100102657272_100000183558 [1,1,0,0,0,0|1,0,1]=4 3341 B10R0.108 CCOC(=O)CCC(=O)NC 240690a_100102657272_100000183558 [1,1,0,0,0,0|1,0,1]=4 3342 B10R0.108 CCOC(=O)CCC(C)NC 2230a_106832991635_100000748298 [1,1,0,0,0,0|1,0,0]=3 3343 B10R0.108 CCOC(=O)CCC(C)NC 34a_100102657272_100000748298 [1,1,0,0,0,0|1,0,0]=3 3344 B10R0.108 CCOC(=O)CCC(C)NC 7a_106832991635_100000748298 [1,1,0,0,0,0|1,0,0]=3 3345 B10R0.108 CCOC(=O)CCC(C)OC 34a_100138415774_100000748298 [1,1,0,0,0,0|1,0,0]=3 3346 B10R0.108 CCOC(=O)CCC(C)SC 62a_100000748298_200000210301 [1,1,0,0,0,0|1,0,0]=3 3347 B10R0.108 CCOC(=O)CCC(C)SC 62a_200000210301_100000748298 [1,1,0,0,0,0|1,0,0]=3 3348 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_100000748298_200025704644 [1,1,0,0,0,0|1,0,0]=3 3349 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_200025704644_100000748298 [1,1,0,0,0,0|1,0,0]=3 3350 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000225621_100011206558 [1,1,0,0,0,0|1,0,0]=3 3351 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000745921_100000210202 [1,1,0,0,0,0|1,0,0]=3 3352 B10R0.108 CCOC(=O)CCN(C)CC 2230a_200011277716_200000210301 [1,1,0,0,0,0|1,0,0]=3 3353 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000225621_100011206558 [1,1,0,0,0,0|1,0,0]=3 3354 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000745921_100000204670 [1,1,0,0,0,0|1,0,0]=3 3355 B10R0.108 CCOC(=O)CCN(C)CC 269982a_200011277716_200000210301 [1,1,0,0,0,0|1,0,0]=3 3356 B10R0.108 CCOC(=O)CCN(C)CF 269982a_100000745921_100015361967 [1,1,0,0,0,0|2,0,0]=4 3357 B10R0.108 CCOC(=O)CCN([13CH3])CC 2230a_200011277716_200025704644 [1,1,0,0,0,0|1,0,0]=3 3358 B10R0.108 CCOC(=O)CCN([13CH3])CC 269982a_200011277716_200025704644 [1,1,0,0,0,0|1,0,0]=3 3359 B10R0.108 CCOC(=O)CNC(=O)CC 188690a_100000741813_100000210414 [1,1,0,0,0,0|1,0,1]=4 3360 B10R0.108 CCOC(=O)CNC(C)CC 2230a_100000209981_100000188475 [1,1,0,0,0,0|1,0,0]=3 3361 B10R0.108 CCOC(=O)CN[C@H](C)CO 2230a_100000737577_100000188475 [1,1,0,0,0,0|2,0,0]=4 3362 B10R0.108 CCOC(=O)COC(C)CC 7a_100000210228_100000188475 [1,1,0,0,0,0|1,0,0]=3 3363 B10R0.108 CCOC(=O)COC(C)CF 34a_100016041109_100000188475 [1,1,0,0,0,0|2,0,0]=4 3364 B10R0.108 CCOC(=O)COC(C)CF 7a_100016041109_100000188475 [1,1,0,0,0,0|2,0,0]=4 3365 B10R0.108 CCOC(=O)COC(C)CN 34a_100000210904_100000188475 [1,1,0,0,0,0|2,0,0]=4 3366 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000188475_100000758301 [1,1,0,0,0,0|1,0,0]=3 3367 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000758301_100000188475 [1,1,0,0,0,0|1,0,0]=3 3368 B10R0.108 CCOC(=O)CSC(C)CO 62a_100012180447_100000188475 [1,1,0,0,0,0|2,0,0]=4 3369 B10R0.108 CCOC(=O)CSC(C)OC 62a_100000188475_100009879195 [1,1,0,0,0,0|2,0,0]=4 3370 B10R0.108 CCOC(=O)CSC(C)OC 62a_100009879195_100000188475 [1,1,0,0,0,0|2,0,0]=4 3371 B10R0.108 CCOC(=O)CS[C@H](C)CO 62a_100000188475_100016084084 [1,1,0,0,0,0|2,0,0]=4 3372 B10R0.108 CCOC(=O)CS[C@H](C)CO 62a_100016084084_100000188475 [1,1,0,0,0,0|2,0,0]=4 3373 B10R0.108 CCOC(=O)NCC(=O)CC 1458a_100000190774_100000210202 [1,1,0,0,0,0|1,0,1]=4 3374 B10R0.108 CCOC(C)CCC(C)CC 7a_200011216552_100000210202 [1,1,0,0,0,0|1,0,1]=4 3375 B10R0.156 CCCCCS(=O)(=O)NCC 270084a_100015525214_100000753860 [1,1,0,0,0,0|2,0,0]=4 3376 B10R0.156 CCCCCS(=O)(=O)NCC 274078a_100015525214_100000753860 [1,1,0,0,0,0|2,0,0]=4 3377 B10R0.7 CCC(C)(O)CC(=O)CCF 1458a_200011219800_100011217306 [1,1,0,0,0,0|2,0,0]=4 3378 B10R0.7 CCC(C)(O)CC(=O)CCO 1458a_200011219800_100000211926 [1,1,0,0,0,0|2,0,0]=4 3379 B10R0.7 CCC(C)(O)CC(=O)NNC 22a_100016993582_200011219800 [1,1,0,0,0,0|2,0,0]=4 3380 B10R0.7 CCCC(=O)CC(C)(C)CC 1458a_200000763500_100000210303 [1,1,0,0,0,0|2,0,0]=4 3381 B10R0.7 CCCC(=O)CC(C)(O)CC 1458a_200011219800_100000210303 [1,1,0,0,0,0|1,0,0]=3 3382 B10R0.7 CCNC(=O)CC(C)(C)CC 11a_100015525214_200000763500 [1,1,0,0,0,0|2,0,0]=4 3383 B10R0.7 CCNC(=O)CC(C)(C)CC 240690a_100015525214_200000763500 [1,1,0,0,0,0|2,0,0]=4 3384 B10R0.7 CCNC(=O)CC(C)(C)CC 527a_100015525214_200000763500 [1,1,0,0,0,0|2,0,0]=4 3385 B10R0.7 CCNC(=O)CC(C)(O)CC 240690a_100015525214_200011219800 [1,1,0,0,0,0|1,0,0]=3 3386 B10R0.7 CCNC(=O)CC(C)(O)CC 527a_100015525214_200011219800 [1,1,0,0,0,0|1,0,0]=3 3387 B10R0.7 CCOC(=O)CC(C)(C)OC 7a_100000765344_200000210301 [1,1,0,0,0,0|2,0,0]=4 3388 B10R0.7 CCOC(=O)CC(C)(C)O[13CH3] 7a_100000765344_200025704644 [1,1,0,0,0,0|2,0,0]=4 3389 B10R0.18 C#CCCC(=O)CC(O)CC 1458a_100000692101_100011218378 [1,1,0,0,0,0|1,0,1]=4 3390 B10R0.18 C#CCCC(=O)CC(O)CC 1458a_100011667805_100000753159 [1,1,0,0,0,0|1,0,1]=4 3391 B10R0.18 C#CCNC(=O)CC(O)CC 1626a_100000212058_100011667805 [1,1,0,0,0,0|1,0,1]=4 3392 B10R0.18 C#CCNC(=O)CC(O)CC 240690a_100000212058_100011667805 [1,1,0,0,0,0|1,0,1]=4 3393 B10R0.18 C/C=C/CC(=O)CC(O)CC 1458a_100011667805_100102629194 [1,1,0,0,0,0|1,0,1]=4 3394 B10R0.18 C=CCCC(=O)CC(O)CC 1458a_100000749702_100011218378 [1,1,0,0,0,0|1,0,1]=4 3395 B10R0.18 C=CCCC(=O)CC(O)CC 1458a_100011667805_100000754431 [1,1,0,0,0,0|1,0,1]=4 3396 B10R0.18 C=CCNC(=O)CC(O)CC 1626a_100020586998_100011667805 [1,1,0,0,0,0|1,0,1]=4 3397 B10R0.18 C=CCNC(=O)CC(O)CC 240690a_100020586998_100011667805 [1,1,0,0,0,0|1,0,1]=4 3398 B10R0.18 CC#CCC(=O)CC(O)CC 1458a_100011667805_100000748600 [1,1,0,0,0,0|1,0,1]=4 3399 B10R0.18 CC=CCC(=O)CC(O)CC 1458a_100011667805_100000070051 [1,1,0,0,0,0|1,0,1]=4 3400 B10R0.18 CC=CCC(=O)CC(O)CC 1458a_100121576822_100011218378 [1,1,0,0,0,0|1,0,1]=4 3401 B10R0.18 CCC#CC(=O)CC(C)CC 1458a_100011827653_100000748023 [1,1,0,0,0,0|2,0,0]=4 3402 B10R0.18 CCC#CC(=O)CC(O)CC 1458a_100011827653_100011218378 [1,1,0,0,0,0|1,0,0]=3 3403 B10R0.18 CCC#CC(=O)C[C@@H](C)CC 1458a_100011827653_100009816398 [1,1,0,0,0,0|2,0,0]=4 3404 B10R0.18 CCC(=O)CC(=O)CCOC 1458a_100000749529_100000747405 [1,1,0,0,0,0|0,0,2]=4 3405 B10R0.18 CCC(=O)CC(=O)CCSC 1458a_100000174002_100000747405 [1,1,0,0,0,0|0,0,2]=4 3406 B10R0.18 CCC(=O)CN(C)CCCO 269982a_100000213112_100000747405 [1,1,0,0,0,0|2,0,0]=4 3407 B10R0.18 CCC(=O)CN(C)CCOC 269982a_100000743101_100000747405 [1,1,0,0,0,0|2,0,0]=4 3408 B10R0.18 CCC(=O)CN(C)CCSC 269982a_100000686725_100000747405 [1,1,0,0,0,0|2,0,0]=4 3409 B10R0.18 CCC(C)CC(=O)CCCF 1458a_100000708755_100011934791 [1,1,0,0,0,0|2,0,0]=4 3410 B10R0.18 CCC(C)CC(=O)CCCO 1458a_100000708755_100011215043 [1,1,0,0,0,0|2,0,0]=4 3411 B10R0.18 CCC(C)CC(=O)CCOC 1458a_100000708755_100000233755 [1,1,0,0,0,0|2,0,0]=4 3412 B10R0.18 CCC(C)CC(=O)CCOC 1458a_100000749529_100000748023 [1,1,0,0,0,0|2,0,0]=4 3413 B10R0.18 CCC(C)CC(=O)CCSC 1458a_100000174002_100000748023 [1,1,0,0,0,0|2,0,0]=4 3414 B10R0.18 CCC(C)CC(=O)CCSC 1458a_100000708755_100000751147 [1,1,0,0,0,0|2,0,0]=4 3415 B10R0.18 CCC(C)CC(=O)NCCF 11a_100000724931_100000708755 [1,1,0,0,0,0|2,0,0]=4 3416 B10R0.18 CCC(C)CC(=O)NCCF 1626a_100000724931_100000708755 [1,1,0,0,0,0|2,0,0]=4 3417 B10R0.18 CCC(C)CC(=O)NCCF 240690a_100000724931_100000708755 [1,1,0,0,0,0|2,0,0]=4 3418 B10R0.18 CCC(C)CC(=O)NCCF 527a_100000724931_100000708755 [1,1,0,0,0,0|2,0,0]=4 3419 B10R0.18 CCC(C)CC(=O)NCCO 240690a_100000210304_100000708755 [1,1,0,0,0,0|2,0,0]=4 3420 B10R0.18 CCC(C)CC(=O)NCCO 527a_100000210304_100000708755 [1,1,0,0,0,0|2,0,0]=4 3421 B10R0.18 CCC(O)CC(=O)C#CCO 1458a_100000049017_100011218378 [1,1,0,0,0,0|1,0,1]=4 3422 B10R0.18 CCC(O)CC(=O)C=COC 1458a_100016268678_100011218378 [1,1,0,0,0,0|1,0,1]=4 3423 B10R0.18 CCC(O)CC(=O)CCC#N 1458a_100011667805_100011215226 [1,1,0,0,0,0|1,0,1]=4 3424 B10R0.18 CCC(O)CC(=O)CCC#N 1458a_100011934036_100011218378 [1,1,0,0,0,0|1,0,1]=4 3425 B10R0.18 CCC(O)CC(=O)CCCF 1458a_100011667805_100011934791 [1,1,0,0,0,0|1,0,0]=3 3426 B10R0.18 CCC(O)CC(=O)CCCO 1458a_100011667805_100011215043 [1,1,0,0,0,0|1,0,0]=3 3427 B10R0.18 CCC(O)CC(=O)CCOC 1458a_100000749529_100011218378 [1,1,0,0,0,0|1,0,0]=3 3428 B10R0.18 CCC(O)CC(=O)CCOC 1458a_100011667805_100000233755 [1,1,0,0,0,0|1,0,0]=3 3429 B10R0.18 CCC(O)CC(=O)CCSC 1458a_100000174002_100011218378 [1,1,0,0,0,0|1,0,0]=3 3430 B10R0.18 CCC(O)CC(=O)CCSC 1458a_100011667805_100000751147 [1,1,0,0,0,0|1,0,0]=3 3431 B10R0.18 CCC(O)CC(=O)NCC#N 1626a_100000734998_100011667805 [1,1,0,0,0,0|1,0,1]=4 3432 B10R0.18 CCC(O)CC(=O)NCCF 1626a_100000724931_100011667805 [1,1,0,0,0,0|1,0,0]=3 3433 B10R0.18 CCC(O)CC(=O)NCCF 240690a_100000724931_100011667805 [1,1,0,0,0,0|1,0,0]=3 3434 B10R0.18 CCC(O)CC(=O)NCCO 240690a_100000210304_100011667805 [1,1,0,0,0,0|1,0,0]=3 3435 B10R0.18 CCC=CC(=O)CC(C)CC 1458a_100000212282_100000748023 [1,1,0,0,0,0|2,0,0]=4 3436 B10R0.18 CCC=CC(=O)CC(O)CC 1458a_100000212282_100011218378 [1,1,0,0,0,0|1,0,0]=3 3437 B10R0.18 CCC=CC(=O)C[C@@H](C)CC 1458a_100000212282_100009816398 [1,1,0,0,0,0|2,0,0]=4 3438 B10R0.18 CCCCC(=O)CC(=O)CC 1458a_100000210183_100000747405 [1,1,0,0,0,0|0,0,2]=4 3439 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000210183_100000747449 [1,1,0,0,0,0|0,0,2]=4 3440 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000211351_100000210211 [1,1,0,0,0,0|0,0,2]=4 3441 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000210183_100000748023 [1,1,0,0,0,0|2,0,0]=4 3442 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000708755_100000210211 [1,1,0,0,0,0|2,0,0]=4 3443 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100000210183_100011218378 [1,1,0,0,0,0|1,0,0]=3 3444 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100011667805_100000210211 [1,1,0,0,0,0|1,0,0]=3 3445 B10R0.18 CCCCC(=O)C[C@@H](C)CC 1458a_100000210183_100009816398 [1,1,0,0,0,0|2,0,0]=4 3446 B10R0.18 CCCCC(C)NC(=O)CC 11a_100000126638_100000210414 [1,1,0,0,0,0|2,0,0]=4 3447 B10R0.18 CCCCC(C)NC(=O)CC 1626a_100000126638_100000210414 [1,1,0,0,0,0|2,0,0]=4 3448 B10R0.18 CCCCC(C)NC(=O)CC 240690a_100000126638_100000210414 [1,1,0,0,0,0|2,0,0]=4 3449 B10R0.18 CCCCC(C)NC(=O)CC 527a_100000126638_100000210414 [1,1,0,0,0,0|2,0,0]=4 3450 B10R0.18 CCCCN(C)CC(=O)CC 269982a_100000207549_100000747405 [1,1,0,0,0,0|2,0,0]=4 3451 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000198492_100000210211 [1,1,0,0,0,0|2,0,0]=4 3452 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000207549_100000747449 [1,1,0,0,0,0|2,0,0]=4 3453 B10R0.18 CCCCN(C)CC(=O)OC 269982a_100000207549_100000747449 [1,1,0,0,0,0|2,0,0]=4 3454 B10R0.18 CCCNC(=O)CC(=O)CC 1458a_100000210414_100000183358 [1,1,0,0,0,0|0,0,2]=4 3455 B10R0.18 CCCNC(=O)CC(=O)OC 240690a_100020643023_100000211351 [1,1,0,0,0,0|0,0,2]=4 3456 B10R0.18 CCCNC(=O)CC(C)CC 11a_100020643023_100000708755 [1,1,0,0,0,0|2,0,0]=4 3457 B10R0.18 CCCNC(=O)CC(C)CC 1626a_100020643023_100000708755 [1,1,0,0,0,0|2,0,0]=4 3458 B10R0.18 CCCNC(=O)CC(C)CC 240690a_100020643023_100000708755 [1,1,0,0,0,0|2,0,0]=4 3459 B10R0.18 CCCNC(=O)CC(C)CC 527a_100020643023_100000708755 [1,1,0,0,0,0|2,0,0]=4 3460 B10R0.18 CCCNC(=O)CC(O)CC 1626a_100020643023_100011667805 [1,1,0,0,0,0|1,0,0]=3 3461 B10R0.18 CCCNC(=O)CC(O)CC 240690a_100020643023_100011667805 [1,1,0,0,0,0|1,0,0]=3 3462 B10R0.18 CCCOC(=O)CC(=O)CC 1458a_100000210414_200011215008 [1,1,0,0,0,0|0,0,2]=4 3463 B10R0.18 CCCOC(=O)CN(C)CC 2230a_100000225621_200011215008 [1,1,0,0,0,0|2,0,0]=4 3464 B10R0.18 CCCOC(=O)CN(C)CC 269982a_100000225621_200011215008 [1,1,0,0,0,0|2,0,0]=4 3465 B10R0.18 CCCOC(C)CC(=O)OC 34a_100000210258_100009817358 [1,1,0,0,0,0|1,0,0]=3 3466 B10R0.18 CCCSC(C)CC(=O)OC 62a_100000210303_100009817358 [1,1,0,0,0,0|1,0,0]=3 3467 B10R0.18 CCCSC(C)CC(=O)OC 62a_100009817358_100000210303 [1,1,0,0,0,0|1,0,0]=3 3468 B10R0.18 CCNNC(=O)CC(C)CC 22a_100000756455_100000708755 [1,1,0,0,0,0|2,0,0]=4 3469 B10R0.18 CCNNC(=O)CC(O)CC 22a_100000756455_100011667805 [1,1,0,0,0,0|1,0,0]=3 3470 B10R0.18 CCOCC(=O)CC(=O)CC 1458a_100000211967_100000747405 [1,1,0,0,0,0|0,0,2]=4 3471 B10R0.18 CCOCC(=O)CC(=O)OC 1458a_100000211967_100000747449 [1,1,0,0,0,0|0,0,2]=4 3472 B10R0.18 CCOCC(=O)CC(C)CC 1458a_100000211967_100000748023 [1,1,0,0,0,0|1,0,0]=3 3473 B10R0.18 CCOCC(=O)CC(O)CC 1458a_100000211967_100011218378 [1,1,0,0,0,0|0,0,0]=2 3474 B10R0.18 CCOCC(=O)C[C@@H](C)CC 1458a_100000211967_100009816398 [1,1,0,0,0,0|1,0,0]=3 3475 B10R0.18 CCOCC(=O)C[C@@H](C)CO 1458a_100000211967_100000059175 [1,1,0,0,0,0|2,0,0]=4 3476 B10R0.18 CCOCC(=O)NC(C)CC 11a_100000209981_100000211967 [1,1,0,0,0,0|2,0,0]=4 3477 B10R0.18 CCOCC(=O)NC(C)CC 1626a_100000209981_100000211967 [1,1,0,0,0,0|2,0,0]=4 3478 B10R0.18 CCOCC(=O)NC(C)CC 240690a_100000209981_100000211967 [1,1,0,0,0,0|2,0,0]=4 3479 B10R0.18 CCOCC(=O)NC(C)CC 34a_100121572206_100000182745 [1,1,0,0,0,0|2,0,0]=4 3480 B10R0.18 CCOCC(=O)NC(C)CC 527a_100000209981_100000211967 [1,1,0,0,0,0|2,0,0]=4 3481 B10R0.18 CCOC[C@H](O)CC(=O)OC 34a_100121572206_100000754131 [1,1,0,0,0,0|0,0,0]=2 3482 B10R0.18 CCSCC(=O)CC(=O)CC 1458a_100000230394_100000747405 [1,1,0,0,0,0|0,0,2]=4 3483 B10R0.18 CCSCC(=O)CC(=O)OC 1458a_100000230394_100000747449 [1,1,0,0,0,0|0,0,2]=4 3484 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210202_100000210525 [1,1,0,0,0,0|0,0,2]=4 3485 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210525_100000210202 [1,1,0,0,0,0|0,0,2]=4 3486 B10R0.18 CCSCC(=O)CC(C)CC 1458a_100000230394_100000748023 [1,1,0,0,0,0|1,1,0]=4 3487 B10R0.18 CCSCC(=O)CC(O)CC 1458a_100000230394_100011218378 [1,1,0,0,0,0|0,1,0]=3 3488 B10R0.18 CCSCC(=O)C[C@@H](C)CC 1458a_100000230394_100009816398 [1,1,0,0,0,0|1,1,0]=4 3489 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000210202_100000754131 [1,1,0,0,0,0|0,0,0]=2 3490 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210202 [1,1,0,0,0,0|0,0,0]=2 3491 B10R0.18 CC[C@H](C)CC(=O)CCOC 1458a_100000749529_100009816398 [1,1,0,0,0,0|2,0,0]=4 3492 B10R0.18 CC[C@H](C)CC(=O)CCSC 1458a_100000174002_100009816398 [1,1,0,0,0,0|2,0,0]=4 3493 B10R0.18 COC(=O)CC(=O)CCCF 1458a_100000211351_100011934791 [1,1,0,0,0,0|0,0,2]=4 3494 B10R0.18 COC(=O)CC(=O)CCCO 1458a_100000211351_100011215043 [1,1,0,0,0,0|0,0,2]=4 3495 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000174002_100000747449 [1,1,0,0,0,0|0,0,2]=4 3496 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000211351_100000751147 [1,1,0,0,0,0|0,0,2]=4 3497 B10R0.18 COC(=O)CC(C)NCCF 34a_100000724931_100009817358 [1,1,0,0,0,0|2,0,0]=4 3498 B10R0.18 COC(=O)CC(C)NCCO 2230a_100016997473_100009817358 [1,1,0,0,0,0|2,0,0]=4 3499 B10R0.18 COC(=O)CC(C)NCCO 34a_100016990907_100009817358 [1,1,0,0,0,0|2,0,0]=4 3500 B10R0.18 COC(=O)CC(C)OCCBr 34a_100000211926_100009817358 [1,1,0,0,0,0|2,0,0]=4 3501 B10R0.18 COC(=O)CC(C)OCCN 34a_100000210304_100009817358 [1,1,0,0,0,0|2,0,0]=4 3502 B10R0.18 COC(=O)CC(C)SCCF 62a_100009817358_100011217306 [1,1,0,0,0,0|2,0,0]=4 3503 B10R0.18 COC(=O)CC(C)SCCF 62a_100011217306_100009817358 [1,1,0,0,0,0|2,0,0]=4 3504 B10R0.18 COC(=O)CC(C)SCCO 62a_100000211926_100009817358 [1,1,0,0,0,0|2,0,0]=4 3505 B10R0.18 COC(=O)CC(C)SCCO 62a_100009817358_100000211926 [1,1,0,0,0,0|2,0,0]=4 3506 B10R0.18 COC(=O)CC(C)SCSC 62a_100009817358_100011218213 [1,1,0,0,0,0|2,0,0]=4 3507 B10R0.18 COC(=O)CC(C)SCSC 62a_100011218213_100009817358 [1,1,0,0,0,0|2,0,0]=4 3508 B10R0.18 COC(=O)CN(C)CCCF 2230a_100000198492_100011934791 [1,1,0,0,0,0|2,0,0]=4 3509 B10R0.18 COC(=O)CN(C)CCCO 2230a_100000198492_100000230001 [1,1,0,0,0,0|2,0,0]=4 3510 B10R0.18 COC(=O)CN(C)CCCO 2230a_100000213112_100000747449 [1,1,0,0,0,0|2,0,0]=4 3511 B10R0.18 COC(=O)CN(C)CCCO 269982a_100000213112_100000747449 [1,1,0,0,0,0|2,0,0]=4 3512 B10R0.18 COC(=O)CN(C)CCSC 2230a_100000198492_100000751147 [1,1,0,0,0,0|2,0,0]=4 3513 B10R0.18 COC(=O)CN(C)CCSC 2230a_100000686725_100000747449 [1,1,0,0,0,0|2,0,0]=4 3514 B10R0.18 COC(=O)CN(C)CCSC 269982a_100000686725_100000747449 [1,1,0,0,0,0|2,0,0]=4 3515 B10R0.18 COC(=O)C[C@@H](O)CSCF 62a_100000754131_100015361967 [1,1,0,0,0,0|1,0,0]=3 3516 B10R0.18 COC(=O)C[C@@H](O)CSCF 62a_100015361967_100000754131 [1,1,0,0,0,0|1,0,0]=3 3517 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000211351_100000233755 [1,1,0,0,0,0|0,0,2]=4 3518 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000749529_100000747449 [1,1,0,0,0,0|0,0,2]=4 3519 B10R0.18 COCCN(C)CC(=O)OC 2230a_100000198492_100011201679 [1,1,0,0,0,0|2,0,0]=4 3520 B10R0.18 COCCN(C)CC(=O)OC 2230a_100000743101_100000747449 [1,1,0,0,0,0|2,0,0]=4 3521 B10R0.18 COCCN(C)CC(=O)OC 269982a_100000743101_100000747449 [1,1,0,0,0,0|2,0,0]=4 3522 B10R0.18 COCSC(C)CC(=O)OC 62a_100000766300_100009817358 [1,1,0,0,0,0|2,0,0]=4 3523 B10R0.18 COCSC(C)CC(=O)OC 62a_100009817358_100000766300 [1,1,0,0,0,0|2,0,0]=4 3524 B10R0.26 C=C(C)C(=O)CC(C)CCC 1458a_100000185857_100011216630 [1,1,0,0,0,0|1,0,1]=4 3525 B10R0.26 C=C(CCC)CC(=O)C(C)C 1458a_100000138376_100000210206 [1,1,0,0,0,0|1,0,1]=4 3526 B10R0.26 CCCC(=O)CC(=O)C(C)C 1458a_100000210198_100000747444 [1,1,0,0,0,0|0,0,2]=4 3527 B10R0.26 CCCC(=O)CC(=O)C(C)C 1458a_100000211992_100000753385 [1,1,0,0,0,0|0,0,2]=4 3528 B10R0.26 CCCC(=O)CC(=O)C(C)F 1458a_100000062450_100000747444 [1,1,0,0,0,0|0,0,2]=4 3529 B10R0.26 CCCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747444 [1,1,0,0,0,0|0,0,2]=4 3530 B10R0.26 CCCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747444 [1,1,0,0,0,0|0,0,2]=4 3531 B10R0.26 CCCC(C)CC(=O)C(C)C 1458a_100000210198_100011216630 [1,1,0,0,0,0|1,0,0]=3 3532 B10R0.26 CCCC(C)CC(=O)C(C)C 1458a_100000748435_100000210206 [1,1,0,0,0,0|1,0,0]=3 3533 B10R0.26 CCCC(C)CC(=O)C(C)F 1458a_100000062450_100011216630 [1,1,0,0,0,0|1,0,0]=3 3534 B10R0.26 CCCC(C)CC(=O)C(O)O 1458a_100000233687_100011216630 [1,1,0,0,0,0|2,0,0]=4 3535 B10R0.26 CCCC(C)CC(=O)N(C)C 11a_100102631434_100000748435 [1,1,0,0,0,0|2,0,0]=4 3536 B10R0.26 CCCC(C)CC(=O)N(C)C 1626a_100102631434_100000748435 [1,1,0,0,0,0|2,0,0]=4 3537 B10R0.26 CCCC(C)CC(=O)N(C)C 240690a_100102631434_100000748435 [1,1,0,0,0,0|2,0,0]=4 3538 B10R0.26 CCCC(C)CC(=O)N(C)C 527a_100102631434_100000748435 [1,1,0,0,0,0|2,0,0]=4 3539 B10R0.26 CCCC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100011216630 [1,1,0,0,0,0|1,0,0]=3 3540 B10R0.26 CCCC(C)CC(=O)[C@H](C)O 1458a_217856618621_100011216630 [1,1,0,0,0,0|1,0,0]=3 3541 B10R0.26 CCCC(C)NC(=O)C(C)C 11a_100000741246_100000210198 [1,1,0,0,0,0|2,0,0]=4 3542 B10R0.26 CCCC(C)NC(=O)C(C)C 1626a_100000741246_100000210198 [1,1,0,0,0,0|2,0,0]=4 3543 B10R0.26 CCCC(C)NC(=O)C(C)C 240690a_100000741246_100000210198 [1,1,0,0,0,0|2,0,0]=4 3544 B10R0.26 CCCC(C)NC(=O)C(C)C 527a_100000741246_100000210198 [1,1,0,0,0,0|2,0,0]=4 3545 B10R0.26 CCCC(C)NC(=O)C(C)F 11a_100000741246_100000062450 [1,1,0,0,0,0|2,0,0]=4 3546 B10R0.26 CCCC(C)NC(=O)C(C)F 1626a_100000741246_100000062450 [1,1,0,0,0,0|2,0,0]=4 3547 B10R0.26 CCCC(C)NC(=O)C(C)F 240690a_100000741246_100000062450 [1,1,0,0,0,0|2,0,0]=4 3548 B10R0.26 CCCC(C)NC(=O)C(C)F 527a_100000741246_100000062450 [1,1,0,0,0,0|2,0,0]=4 3549 B10R0.26 CCCC(C)NC(=O)[C@@H](C)O 240690a_100000741246_100000717761 [1,1,0,0,0,0|2,0,0]=4 3550 B10R0.26 CCCC(C)NC(=O)[C@H](C)O 1626a_100000741246_217856618621 [1,1,0,0,0,0|2,0,0]=4 3551 B10R0.26 CCCC(C)NC(=O)[C@H](C)O 240690a_100000741246_217856618621 [1,1,0,0,0,0|2,0,0]=4 3552 B10R0.26 CCCN(C)CC(=O)C(C)C 2230a_100000747261_100000753385 [1,1,0,0,0,0|2,0,0]=4 3553 B10R0.26 CCCN(C)CC(=O)C(C)C 269982a_100000747261_100000753385 [1,1,0,0,0,0|2,0,0]=4 3554 B10R0.26 CCCS(=O)CC(=O)C(C)C 1458a_100011387404_100000210206 [1,1,0,0,0,0|1,0,1]=4 3555 B10R0.26 CCOC(=O)CC(=O)C(C)C 1458a_100000210198_100000188475 [1,1,0,0,0,0|0,0,2]=4 3556 B10R0.26 CCOC(=O)CC(=O)C(C)C 1458a_100000243816_100000210206 [1,1,0,0,0,0|0,0,2]=4 3557 B10R0.26 CCOC(=O)CC(=O)C(C)F 1458a_100000062450_100000188475 [1,1,0,0,0,0|0,0,2]=4 3558 B10R0.26 CCOC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000188475 [1,1,0,0,0,0|0,0,2]=4 3559 B10R0.26 CCOC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000188475 [1,1,0,0,0,0|0,0,2]=4 3560 B10R0.26 CCOC(=O)CC(C)C(=O)C 1458a_100000070787_100009817359 [1,1,0,0,0,0|1,0,1]=4 3561 B10R0.26 CCOC(=O)CC(C)N(C)C 2230a_100102631434_100009817359 [1,1,0,0,0,0|2,0,0]=4 3562 B10R0.26 CCOC(=O)CC(C)N(C)C 269982a_100102631434_100009817359 [1,1,0,0,0,0|2,0,0]=4 3563 B10R0.26 CCOC(=O)CN(C)C(C)C 2230a_100000220588_100000210206 [1,1,0,0,0,0|2,0,0]=4 3564 B10R0.26 CCOC(=O)CN(C)C(C)C 2230a_100000717205_200000210301 [1,1,0,0,0,0|2,0,0]=4 3565 B10R0.26 CCOC(=O)CN(C)C(C)C 269982a_100000717205_200000210301 [1,1,0,0,0,0|2,0,0]=4 3566 B10R0.26 CCOC(=O)CN(C)C(C)C 269982a_200000211004_100000188475 [1,1,0,0,0,0|2,0,0]=4 3567 B10R0.26 CCOC(=O)CN([13CH3])C(C)C 2230a_100000717205_200025704644 [1,1,0,0,0,0|2,0,0]=4 3568 B10R0.26 CCOC(=O)CN([13CH3])C(C)C 269982a_100000717205_200025704644 [1,1,0,0,0,0|2,0,0]=4 3569 B10R0.26 CCSC(C)CC(=O)C(C)C 1458a_200011311441_100000210206 [1,1,0,0,0,0|2,0,0]=4 3570 B10R0.29 CCC(=O)NC(CO)COC 240690a_100000724102_100000210414 [1,1,0,0,0,0|2,0,0]=4 3571 B10R0.29 CCC(=O)NC(CO)COC 527a_100000724102_100000210414 [1,1,0,0,0,0|2,0,0]=4 3572 B10R0.29 CCCC(CC(=O)OC)OC 7a_100000065524_200000210301 [1,1,0,0,0,0|0,0,0]=2 3573 B10R0.29 CCCC(CC(=O)OC)O[13CH3] 7a_100000065524_200025704644 [1,1,0,0,0,0|0,0,0]=2 3574 B10R0.29 CCCC(CC)NC(=O)CC 11a_100000747048_100000210414 [1,1,0,0,0,0|2,0,0]=4 3575 B10R0.29 CCCC(CC)NC(=O)CC 1626a_100000747048_100000210414 [1,1,0,0,0,0|2,0,0]=4 3576 B10R0.29 CCCC(CC)NC(=O)CC 240690a_100000747048_100000210414 [1,1,0,0,0,0|2,0,0]=4 3577 B10R0.29 CCCC(CC)NC(=O)CC 527a_100000747048_100000210414 [1,1,0,0,0,0|2,0,0]=4 3578 B10R0.29 CCCN(CC)CC(=O)CC 269982a_100000226822_100000747405 [1,1,0,0,0,0|2,0,0]=4 3579 B10R0.29 CCCN(CC)CC(=O)OC 2230a_100000226822_100000747449 [1,1,0,0,0,0|2,0,0]=4 3580 B10R0.29 CCCN(CC)CC(=O)OC 269982a_100000226822_100000747449 [1,1,0,0,0,0|2,0,0]=4 3581 B10R0.29 CCC[C@@H](CO)NC(=O)CC 240690a_100000732646_100000210414 [1,1,0,0,0,0|1,0,0]=3 3582 B10R0.29 CCC[C@@H](CO)NC(=O)CC 527a_100000732646_100000210414 [1,1,0,0,0,0|1,0,0]=3 3583 B10R0.29 CCC[C@@H](CO)NC(=O)CO 240690a_100000732646_100000210174 [1,1,0,0,0,0|2,0,0]=4 3584 B10R0.29 CCC[C@@H](CO)NC(=O)CO 527a_100000732646_100000210174 [1,1,0,0,0,0|2,0,0]=4 3585 B10R0.29 CCC[C@@H](CO)NC(=O)NC 2708a_100102657272_100000732646 [1,1,0,0,0,0|2,0,0]=4 3586 B10R0.29 CCC[C@@H](CO)NC(=O)NC 273464a_100000732646_100102657272 [1,1,0,0,0,0|2,0,0]=4 3587 B10R0.29 CCC[C@@H](CO)NC(=O)NC 273464a_100102657272_100000732646 [1,1,0,0,0,0|2,0,0]=4 3588 B10R0.29 CCC[C@@H](CO)NC(=O)NC 512a_100000732646_100102657272 [1,1,0,0,0,0|2,0,0]=4 3589 B10R0.29 CCC[C@@H](CO)NC(=O)NC 512a_106832991638_100000732646 [1,1,0,0,0,0|2,0,0]=4 3590 B10R0.29 CCO[C@@H](CC)CC(=O)OC 7a_200015357724_100000210202 [1,1,0,0,0,0|2,0,0]=4 3591 B10R0.29 CCO[C@@H](CCl)CC(=O)OC 7a_100000754131_100000210202 [1,1,0,0,0,0|2,0,0]=4 3592 B10R0.34 CCCC(=O)CC(CC)CC 1458a_100000211992_100011215472 [1,1,0,0,0,0|2,0,0]=4 3593 B10R0.34 CCCC(=O)CC(OC)OC 1458a_100000082724_100000210303 [1,1,0,0,0,0|2,0,0]=4 3594 B10R0.34 CCCC(=O)CC(OC)OC 1458a_100000211992_100000751394 [1,1,0,0,0,0|2,0,0]=4 3595 B10R0.34 CCCC(=O)N[C@@H](CC)CO 240690a_100000709445_100000211992 [1,1,0,0,0,0|2,0,0]=4 3596 B10R0.34 CCCC(=O)N[C@@H](CC)CO 527a_100000709445_100000211992 [1,1,0,0,0,0|2,0,0]=4 3597 B10R0.34 CCNC(=O)CC(OC)OC 11a_100015525214_100000082724 [1,1,0,0,0,0|2,0,0]=4 3598 B10R0.34 CCNC(=O)CC(OC)OC 240690a_100015525214_100000082724 [1,1,0,0,0,0|2,0,0]=4 3599 B10R0.34 CCNC(=O)CC(OC)OC 527a_100015525214_100000082724 [1,1,0,0,0,0|2,0,0]=4 3600 B10R0.34 CCNC(=O)N[C@@H](CC)CO 2708a_100015525214_100000709445 [1,1,0,0,0,0|2,0,0]=4 3601 B10R0.34 CCNC(=O)N[C@@H](CC)CO 273464a_100000709445_100015525214 [1,1,0,0,0,0|2,0,0]=4 3602 B10R0.34 CCNC(=O)N[C@@H](CC)CO 273464a_100015525214_100000709445 [1,1,0,0,0,0|2,0,0]=4 3603 B10R0.34 CCNC(=O)N[C@@H](CC)CO 512a_100000709445_100015525214 [1,1,0,0,0,0|2,0,0]=4 3604 B10R0.34 CCNC(=O)N[C@@H](CC)CO 512a_100015525214_100000709445 [1,1,0,0,0,0|2,0,0]=4 3605 B10R0.34 CCOC(=O)CN(CC)CC 2230a_100000220607_100000210202 [1,1,0,0,0,0|2,0,0]=4 3606 B10R0.34 CCOC(=O)CN(CC)CC 2230a_100000724800_100000188475 [1,1,0,0,0,0|2,0,0]=4 3607 B10R0.34 CCOC(=O)CN(CC)CC 269956a_100000042499_100000188475 [1,1,0,0,0,0|2,0,0]=4 3608 B10R0.34 CCOC(=O)CN(CC)CC 269982a_100000220607_100000204670 [1,1,0,0,0,0|2,0,0]=4 3609 B10R0.34 CCOC(=O)CN(CC)CC 269982a_100000724800_100000188475 [1,1,0,0,0,0|2,0,0]=4 3610 B10R0.34 CCOC(=O)CN(CC)CF 269982a_100000220607_100015361967 [1,1,0,0,0,0|2,0,0]=4 3611 B10R0.34 CCOC(=O)C[C@@H](CCl)OC 7a_100000688340_200000210301 [1,1,0,0,0,0|1,0,0]=3 3612 B10R0.34 CCOC(=O)C[C@@H](CCl)O[13CH3] 7a_100000688340_200025704644 [1,1,0,0,0,0|1,0,0]=3 3613 B10R0.35 CCCC(=O)C(C)C(=O)CC 1458a_100000211992_100000742827 [1,1,0,0,0,0|0,0,2]=4 3614 B10R0.35 CCCC(=O)C(C)C(=O)OC 1458a_100000211992_100000211248 [1,1,0,0,0,0|0,0,2]=4 3615 B10R0.35 CCCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210303 [1,1,0,0,0,0|0,0,2]=4 3616 B10R0.35 CCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210303 [1,1,0,0,0,0|2,0,0]=4 3617 B10R0.35 CCCN(C)C(C)C(=O)CC 2230a_100000747261_100000742827 [1,1,0,0,0,0|2,0,0]=4 3618 B10R0.35 CCCN(C)C(C)C(=O)CC 269982a_100000747261_100000742827 [1,1,0,0,0,0|2,0,0]=4 3619 B10R0.35 CCCN(C)C(C)C(=O)OC 2230a_100000725243_100000210303 [1,1,0,0,0,0|2,0,0]=4 3620 B10R0.35 CCCN(C)C(C)C(=O)OC 2230a_100000747261_100000211248 [1,1,0,0,0,0|2,0,0]=4 3621 B10R0.35 CCCN(C)C(C)C(=O)OC 269982a_100000725243_100000210303 [1,1,0,0,0,0|2,0,0]=4 3622 B10R0.35 CCCN(C)C(C)C(=O)OC 269982a_100000747261_100000211248 [1,1,0,0,0,0|2,0,0]=4 3623 B10R0.35 CCNC(=O)[C@H](O)[C@H](O)CO 240690a_100015525214_100015448053 [1,1,0,0,0,0|2,0,0]=4 3624 B10R0.35 CCOC(=O)C(C)C(=O)CC 1458a_100000210414_100011216346 [1,1,0,0,0,0|0,0,2]=4 3625 B10R0.35 CCOC(=O)C(C)C(=O)CC 1458a_100132301724_100000210202 [1,1,0,0,0,0|0,0,2]=4 3626 B10R0.35 CCOC(=O)C(C)N(C)CC 2230a_100000225621_100011215307 [1,1,0,0,0,0|2,0,0]=4 3627 B10R0.35 CCOC(=O)C(C)N(C)CC 269982a_100000225621_100011216346 [1,1,0,0,0,0|2,0,0]=4 3628 B10R0.35 CCOC(=O)C(F)C(=O)CC 1458a_100000210414_100000760018 [1,1,0,0,0,0|0,0,2]=4 3629 B10R0.35 CCOC(=O)C(F)N(C)CC 2230a_100000225621_100000760018 [1,1,0,0,0,0|2,0,0]=4 3630 B10R0.35 CCOC(=O)C(F)N(C)CC 269982a_100000225621_100000760018 [1,1,0,0,0,0|2,0,0]=4 3631 B10R0.35 CCO[C@H](C)[C@H](N)C(=O)OC 34a_100000004424_100000210202 [1,1,0,0,0,0|2,0,0]=4 3632 B10R0.44 C=C(C)CC(=O)CC(O)CC 1458a_100011667805_100000748629 [1,1,0,0,0,0|1,0,1]=4 3633 B10R0.44 CCC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747405 [1,1,0,0,0,0|0,0,2]=4 3634 B10R0.44 CCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747405 [1,1,0,0,0,0|0,0,2]=4 3635 B10R0.44 CCC(=O)CC(=O)OC(C)C 1458a_100000210414_100011215430 [1,1,0,0,0,0|0,0,2]=4 3636 B10R0.44 CCC(=O)CN(C)CC(C)C 269982a_100000747067_100000747405 [1,1,0,0,0,0|2,0,0]=4 3637 B10R0.44 CCC(=O)CN(C)CC(C)O 269982a_100000227577_100000747405 [1,1,0,0,0,0|2,0,0]=4 3638 B10R0.44 CCC(=O)NC(C)CC(C)C 11a_100000692259_100000210414 [1,1,0,0,0,0|2,0,0]=4 3639 B10R0.44 CCC(=O)NC(C)CC(C)C 1626a_100000692259_100000210414 [1,1,0,0,0,0|2,0,0]=4 3640 B10R0.44 CCC(=O)NC(C)CC(C)C 240690a_100000692259_100000210414 [1,1,0,0,0,0|2,0,0]=4 3641 B10R0.44 CCC(=O)NC(C)CC(C)C 527a_100000692259_100000210414 [1,1,0,0,0,0|2,0,0]=4 3642 B10R0.44 CCC(C)CC(=O)CC(C)C 1458a_100000210554_100000748023 [1,1,0,0,0,0|2,0,0]=4 3643 B10R0.44 CCC(C)CC(=O)CC(C)C 1458a_100000708755_100000210624 [1,1,0,0,0,0|2,0,0]=4 3644 B10R0.44 CCC(C)CC(=O)CC(C)O 1458a_100000708755_100011218427 [1,1,0,0,0,0|2,0,0]=4 3645 B10R0.44 CCC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748023 [1,1,0,0,0,0|2,0,0]=4 3646 B10R0.44 CCC(C)CC(=O)NC(C)C 11a_100138425928_100000708755 [1,1,0,0,0,0|2,0,0]=4 3647 B10R0.44 CCC(C)CC(=O)NC(C)C 1626a_100138425928_100000708755 [1,1,0,0,0,0|2,0,0]=4 3648 B10R0.44 CCC(C)CC(=O)NC(C)C 240690a_100138425928_100000708755 [1,1,0,0,0,0|2,0,0]=4 3649 B10R0.44 CCC(C)CC(=O)NC(C)C 527a_100138425928_100000708755 [1,1,0,0,0,0|2,0,0]=4 3650 B10R0.44 CCC(O)CC(=O)C=C(C)C 1458a_100000211388_100011218378 [1,1,0,0,0,0|1,0,1]=4 3651 B10R0.44 CCC(O)CC(=O)C=C(C)Cl 1458a_200042562850_100011218378 [1,1,0,0,0,0|1,0,1]=4 3652 B10R0.44 CCC(O)CC(=O)C=C(C)I 1458a_100025716642_100011218378 [1,1,0,0,0,0|1,0,1]=4 3653 B10R0.44 CCC(O)CC(=O)CC(C)C 1458a_100000210554_100011218378 [1,1,0,0,0,0|1,0,0]=3 3654 B10R0.44 CCC(O)CC(=O)CC(C)C 1458a_100011667805_100000210624 [1,1,0,0,0,0|1,0,0]=3 3655 B10R0.44 CCC(O)CC(=O)CC(C)O 1458a_100011667805_100011218427 [1,1,0,0,0,0|1,0,0]=3 3656 B10R0.44 CCC(O)CC(=O)CC(F)F 1458a_100011667805_100011934356 [1,1,0,0,0,0|2,0,0]=4 3657 B10R0.44 CCC(O)CC(=O)CN(C)C 1458a_100000750896_100011218378 [1,1,0,0,0,0|2,0,0]=4 3658 B10R0.44 CCC(O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011218378 [1,1,0,0,0,0|1,0,0]=3 3659 B10R0.44 CCC(O)CC(=O)C[S+](C)C 1458a_200159257847_100011218378 [1,1,0,0,0,0|2,0,0]=4 3660 B10R0.44 CCC(O)CC(=O)NC(C)C 1626a_100138425928_100011667805 [1,1,0,0,0,0|1,0,0]=3 3661 B10R0.44 CCC(O)CC(=O)NC(C)C 240690a_100138425928_100011667805 [1,1,0,0,0,0|1,0,0]=3 3662 B10R0.44 CCN(C)CC(=O)OC(C)C 2230a_100000225621_100011215430 [1,1,0,0,0,0|2,0,0]=4 3663 B10R0.44 CCN(C)CC(=O)OC(C)C 269982a_100000225621_100011215430 [1,1,0,0,0,0|2,0,0]=4 3664 B10R0.44 CC[C@H](C)CC(=O)CC(C)C 1458a_100000210554_100009816398 [1,1,0,0,0,0|2,0,0]=4 3665 B10R0.44 CC[C@H](C)CC(=O)C[C@@H](C)O 1458a_100011933948_100009816398 [1,1,0,0,0,0|2,0,0]=4 3666 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747449 [1,1,0,0,0,0|0,0,2]=4 3667 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000211351_100000210624 [1,1,0,0,0,0|0,0,2]=4 3668 B10R0.44 COC(=O)CC(=O)CC(C)O 1458a_100000211351_100011218427 [1,1,0,0,0,0|0,0,2]=4 3669 B10R0.44 COC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747449 [1,1,0,0,0,0|0,0,2]=4 3670 B10R0.44 COC(=O)CC(C)CC(=O)C 1458a_100000732146_200000210301 [1,1,0,0,0,0|1,0,1]=4 3671 B10R0.44 COC(=O)CC(C)CC(=O)[13CH3] 1458a_100000732146_200025704644 [1,1,0,0,0,0|1,0,1]=4 3672 B10R0.44 COC(=O)CC(C)NC(C)C 2230a_100138425928_100009817358 [1,1,0,0,0,0|2,0,0]=4 3673 B10R0.44 COC(=O)CC(C)NC(C)C 34a_100138425928_100009817358 [1,1,0,0,0,0|2,0,0]=4 3674 B10R0.44 COC(=O)CC(C)OC(C)C 34a_100000212225_100009817358 [1,1,0,0,0,0|2,0,0]=4 3675 B10R0.44 COC(=O)CC(C)SC(C)C 62a_100000210206_100009817358 [1,1,0,0,0,0|2,0,0]=4 3676 B10R0.44 COC(=O)CC(C)SC(C)C 62a_100009817358_100000210206 [1,1,0,0,0,0|2,0,0]=4 3677 B10R0.44 COC(=O)CN(C)CC(C)C 2230a_100000198492_100000210760 [1,1,0,0,0,0|2,0,0]=4 3678 B10R0.44 COC(=O)CN(C)CC(C)C 2230a_100000747067_100000747449 [1,1,0,0,0,0|2,0,0]=4 3679 B10R0.44 COC(=O)CN(C)CC(C)C 269982a_100000747067_100000747449 [1,1,0,0,0,0|2,0,0]=4 3680 B10R0.44 COC(=O)CN(C)CC(C)C 270004a_100000198492_100000210432 [1,1,0,0,0,0|2,0,0]=4 3681 B10R0.44 COC(=O)CN(C)CC(C)O 2230a_100000198492_100011218427 [1,1,0,0,0,0|2,0,0]=4 3682 B10R0.44 COC(=O)CN(C)CC(C)O 2230a_100000227577_100000747449 [1,1,0,0,0,0|2,0,0]=4 3683 B10R0.44 COC(=O)CN(C)CC(C)O 269982a_100000227577_100000747449 [1,1,0,0,0,0|2,0,0]=4 3684 B10R0.44 COC(=O)CN(C)C[C@@H](C)O 2230a_100000198492_100009817552 [1,1,0,0,0,0|2,0,0]=4 3685 B10R0.46 C/C=C(\C)/C(=O)CC(O)CC 1458a_100020587367_100011218378 [1,1,0,0,0,0|1,0,1]=4 3686 B10R0.46 CCC(=O)C(C)CC(=O)OC 1458a_100000037256_100000210202 [1,1,0,0,0,0|1,0,1]=4 3687 B10R0.46 CCC(=O)CC(=O)C(C)CC 1458a_100011192722_100000747405 [1,1,0,0,0,0|0,0,2]=4 3688 B10R0.46 CCC(=O)CC(=O)C(O)CC 1458a_100011196387_100000747405 [1,1,0,0,0,0|0,0,2]=4 3689 B10R0.46 CCC(=O)CC(C)N(C)CC 1458a_200015187196_100000210202 [1,1,0,0,0,0|2,0,0]=4 3690 B10R0.46 CCC(=O)CN(C)C(C)CC 269982a_100000741768_100000747405 [1,1,0,0,0,0|2,0,0]=4 3691 B10R0.46 CCC(C)C(=O)CC(=O)OC 1458a_100000211351_100000758301 [1,1,0,0,0,0|0,0,2]=4 3692 B10R0.46 CCC(C)C(=O)CC(=O)OC 1458a_100011192722_100000747449 [1,1,0,0,0,0|0,0,2]=4 3693 B10R0.46 CCC(C)C(=O)C[C@@H](C)CC 1458a_100011192722_100009816398 [1,1,0,0,0,0|2,0,0]=4 3694 B10R0.46 CCC(C)CC(=O)C(C)CC 1458a_100000708755_100000758301 [1,1,0,0,0,0|2,0,0]=4 3695 B10R0.46 CCC(C)CC(=O)C(C)CC 1458a_100011192722_100000748023 [1,1,0,0,0,0|2,0,0]=4 3696 B10R0.46 CCC(C)CC(=O)C(O)CC 1458a_100011196387_100000748023 [1,1,0,0,0,0|2,0,0]=4 3697 B10R0.46 CCC(C)CC(=O)N(C)CC 11a_100000225621_100000708755 [1,1,0,0,0,0|2,0,0]=4 3698 B10R0.46 CCC(C)CC(=O)N(C)CC 1626a_100000225621_100000708755 [1,1,0,0,0,0|2,0,0]=4 3699 B10R0.46 CCC(C)CC(=O)N(C)CC 240690a_100000225621_100000708755 [1,1,0,0,0,0|2,0,0]=4 3700 B10R0.46 CCC(C)CC(=O)N(C)CC 527a_100000225621_100000708755 [1,1,0,0,0,0|2,0,0]=4 3701 B10R0.46 CCC(C)N(C)CC(=O)OC 2230a_100000198492_100000758301 [1,1,0,0,0,0|2,0,0]=4 3702 B10R0.46 CCC(C)N(C)CC(=O)OC 2230a_100000741768_100000747449 [1,1,0,0,0,0|2,0,0]=4 3703 B10R0.46 CCC(C)N(C)CC(=O)OC 269982a_100000741768_100000747449 [1,1,0,0,0,0|2,0,0]=4 3704 B10R0.46 CCC(O)C(=O)CC(=O)OC 1458a_100011196387_100000747449 [1,1,0,0,0,0|0,0,2]=4 3705 B10R0.46 CCC(O)C(=O)C[C@@H](C)CC 1458a_100011196387_100009816398 [1,1,0,0,0,0|2,0,0]=4 3706 B10R0.46 CCC(O)CC(=O)C(=O)NC 1458a_100011218921_100011218378 [1,1,0,0,0,0|2,0,0]=4 3707 B10R0.46 CCC(O)CC(=O)C(C)CC 1458a_100011192722_100011218378 [1,1,0,0,0,0|1,0,0]=3 3708 B10R0.46 CCC(O)CC(=O)C(C)CC 1458a_100011667805_100000758301 [1,1,0,0,0,0|1,0,0]=3 3709 B10R0.46 CCC(O)CC(=O)C(C)OC 1458a_100000743197_100011218378 [1,1,0,0,0,0|2,0,0]=4 3710 B10R0.46 CCC(O)CC(=O)C(C)SC 1458a_100000149566_100011218378 [1,1,0,0,0,0|2,0,0]=4 3711 B10R0.46 CCC(O)CC(=O)C(O)CC 1458a_100011196387_100011218378 [1,1,0,0,0,0|1,0,0]=3 3712 B10R0.46 CCC(O)CC(=O)C(O)CO 1458a_100011215603_100011218378 [1,1,0,0,0,0|2,0,0]=4 3713 B10R0.46 CCC(O)CC(=O)N(C)CC 1626a_100000225621_100011667805 [1,1,0,0,0,0|1,0,0]=3 3714 B10R0.46 CCC(O)CC(=O)N(C)CC 240690a_100000225621_100011667805 [1,1,0,0,0,0|1,0,0]=3 3715 B10R0.46 CCN(C)C(C)CC(=O)OC 2230a_100000225621_100009817358 [1,1,0,0,0,0|2,0,0]=4 3716 B10R0.46 CCN(C)C(C)CC(=O)OC 269982a_100000225621_100009817358 [1,1,0,0,0,0|2,0,0]=4 3717 B10R0.148 CCCC(C)(O)CC(=O)CC 1458a_100011667670_100000210202 [1,1,0,0,0,0|0,0,0]=2 3718 B10R0.148 CCCC(C)(O)CC(=O)CF 1458a_100011667670_100015361967 [1,1,0,0,0,0|1,0,0]=3 3719 B10R0.148 CCCC(C)(O)CC(=O)NC 240690a_100102657272_100011667670 [1,1,0,0,0,0|1,0,0]=3 3720 B10R0.148 CCCC(C)(O)CC(=O)NC 527a_100102657272_100011667670 [1,1,0,0,0,0|1,0,0]=3 3721 B10R0.148 CCOC(C)(C)CC(=O)OC 7a_100015205050_100000210202 [1,1,0,0,0,0|2,0,0]=4 3722 B10R0.32 C=C(C)CC(=O)[C@@H](O)CCC 1458a_100009822183_100000748629 [0,1,0,0,1,0|1,0,1]=4 3723 B10R0.32 CC(C)C[C@H](O)C(=O)CCF 1458a_100012027011_100011217306 [0,1,0,0,1,0|2,0,0]=4 3724 B10R0.32 CC(C)C[C@H](O)C(=O)CCO 1458a_100012027011_100000211926 [0,1,0,0,1,0|2,0,0]=4 3725 B10R0.32 CC(C)OC(=O)[C@@H](N)CO[13CH3] 34a_100121572844_200025704644 [0,1,0,0,1,0|2,0,0]=4 3726 B10R0.32 CCCC(=O)C(C)CC(C)C 1458a_100000211992_100000731052 [0,1,0,0,1,0|2,0,0]=4 3727 B10R0.32 CCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210303 [0,1,0,0,1,0|1,0,0]=3 3728 B10R0.32 CCCC(C)C(=O)CC(C)C 1458a_100000210554_100000766640 [0,1,0,0,1,0|2,0,0]=4 3729 B10R0.32 CCCC(C)C(=O)CC(C)C 1458a_100000210906_100000210624 [0,1,0,0,1,0|2,0,0]=4 3730 B10R0.32 CCCC(C)C(=O)CC(C)O 1458a_100000210906_100011218427 [0,1,0,0,1,0|2,0,0]=4 3731 B10R0.32 CCCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000766640 [0,1,0,0,1,0|2,0,0]=4 3732 B10R0.32 CCCC(C)C(=O)NC(C)C 11a_100138425928_100000210906 [0,1,0,0,1,0|2,0,0]=4 3733 B10R0.32 CCCC(C)C(=O)NC(C)C 1626a_100138425928_100000210906 [0,1,0,0,1,0|2,0,0]=4 3734 B10R0.32 CCCC(C)C(=O)NC(C)C 240690a_100138425928_100000210906 [0,1,0,0,1,0|2,0,0]=4 3735 B10R0.32 CCCC(C)C(=O)NC(C)C 527a_100138425928_100000210906 [0,1,0,0,1,0|2,0,0]=4 3736 B10R0.32 CCC[C@H](O)C(=O)CC(C)C 1458a_100009822183_100000210624 [0,1,0,0,1,0|1,0,0]=3 3737 B10R0.32 CCC[C@H](O)C(=O)CC(C)O 1458a_100009822183_100011218427 [0,1,0,0,1,0|1,0,0]=3 3738 B10R0.32 CCC[C@H](O)C(=O)CC(F)F 1458a_100009822183_100011934356 [0,1,0,0,1,0|2,0,0]=4 3739 B10R0.32 CCC[C@H](O)C(=O)NC(C)C 240690a_100138425928_100009822183 [0,1,0,0,1,0|1,0,0]=3 3740 B10R0.32 CCNC(=O)[C@@H](O)CC(C)C 240690a_100015525214_100012027011 [0,1,0,0,1,0|1,0,0]=3 3741 B10R0.32 CCOC(=O)C(C)NC(C)C 2230a_100138425928_100011215307 [0,1,0,0,1,0|2,0,0]=4 3742 B10R0.32 CCOC(=O)C(C)NC(C)C 34a_100138425928_100011216346 [0,1,0,0,1,0|2,0,0]=4 3743 B10R0.32 CCOC(=O)C(C)OC(C)C 34a_100000212225_100011216346 [0,1,0,0,1,0|2,0,0]=4 3744 B10R0.32 CCOC(=O)C(C)SC(C)C 62a_100000210206_100011216346 [0,1,0,0,1,0|2,0,0]=4 3745 B10R0.32 CCOC(=O)C(C)SC(C)C 62a_100011216346_100000210206 [0,1,0,0,1,0|2,0,0]=4 3746 B10R0.32 CCOC(=O)C(F)NC(C)C 2230a_100138425928_100000760018 [0,1,0,0,1,0|2,0,0]=4 3747 B10R0.32 CCOC(=O)C(F)NC(C)C 34a_100138425928_100000760018 [0,1,0,0,1,0|2,0,0]=4 3748 B10R0.32 CCOC(=O)C(F)OC(C)C 34a_100000212225_100000760018 [0,1,0,0,1,0|2,0,0]=4 3749 B10R0.32 CCOC(=O)C(F)SC(C)C 62a_100000210206_100000760018 [0,1,0,0,1,0|2,0,0]=4 3750 B10R0.32 CCOC(=O)C(F)SC(C)C 62a_100000760018_100000210206 [0,1,0,0,1,0|2,0,0]=4 3751 B10R0.32 CCOC(=O)[C@H](C)OC(C)C 7a_100000751109_100000210206 [0,1,0,0,1,0|2,0,0]=4 3752 B10R0.32 CCO[C@H](C)C(=O)OC(C)C 34a_100015307928_100000210202 [0,1,0,0,1,0|2,0,0]=4 3753 B10R0.32 CCO[C@H](C)C(=O)OC(C)C 7a_100015307928_100000210202 [0,1,0,0,1,0|2,0,0]=4 3754 B10R0.32 CNNC(=O)[C@@H](O)CC(C)C 22a_100016993582_100012027011 [0,1,0,0,1,0|2,0,0]=4 3755 B10R0.32 COC[C@H](N)C(=O)OC(C)C 34a_100121572844_200000210301 [0,1,0,0,1,0|2,0,0]=4 3756 B10R0.33 CCCC(=O)C(CC)CCC 1458a_100000211992_100011219200 [0,1,0,0,1,0|2,0,0]=4 3757 B10R0.33 CCCC(=O)C(CC)CCC 1458a_100011416436_100000210303 [0,1,0,0,1,0|2,0,0]=4 3758 B10R0.33 CCCC(=O)C(CCC)OC 34a_200011216804_200000210301 [0,1,0,0,1,0|1,0,0]=3 3759 B10R0.33 CCCC(=O)C(CCC)OC 7a_200011216804_200000210301 [0,1,0,0,1,0|1,0,0]=3 3760 B10R0.33 CCCC(=O)C(CCC)O[13CH3] 34a_200011216804_200025704644 [0,1,0,0,1,0|1,0,0]=3 3761 B10R0.33 CCCC(=O)C(CCC)O[13CH3] 7a_200011216804_200025704644 [0,1,0,0,1,0|1,0,0]=3 3762 B10R0.33 CCCC(CC)C(=O)NCC 11a_100015525214_100011416436 [0,1,0,0,1,0|2,0,0]=4 3763 B10R0.33 CCCC(CC)C(=O)NCC 240690a_100015525214_100011416436 [0,1,0,0,1,0|2,0,0]=4 3764 B10R0.33 CCCC(CC)C(=O)NCC 527a_100015525214_100011416436 [0,1,0,0,1,0|2,0,0]=4 3765 B10R0.33 CCCC(NC)C(=O)OCC 2230a_106832991635_100000695697 [0,1,0,0,1,0|1,0,0]=3 3766 B10R0.33 CCCC(NC)C(=O)OCC 34a_100102657272_100000695697 [0,1,0,0,1,0|1,0,0]=3 3767 B10R0.33 CCCC(NC)C(=O)OCC 7a_106832991635_100000695697 [0,1,0,0,1,0|1,0,0]=3 3768 B10R0.33 CCCC(OC)C(=O)OCC 34a_100138415774_100000695697 [0,1,0,0,1,0|0,0,0]=2 3769 B10R0.33 CCCC(OC)C(=O)OCC 34a_200011218214_200000210301 [0,1,0,0,1,0|0,0,0]=2 3770 B10R0.33 CCCC(OC)C(=O)OCC 7a_200011218214_200000210301 [0,1,0,0,1,0|0,0,0]=2 3771 B10R0.33 CCCC(O[13CH3])C(=O)OCC 34a_200011218214_200025704644 [0,1,0,0,1,0|0,0,0]=2 3772 B10R0.33 CCCC(O[13CH3])C(=O)OCC 7a_200011218214_200025704644 [0,1,0,0,1,0|0,0,0]=2 3773 B10R0.33 CCCC(SC)C(=O)OCC 62a_100000695697_200000210301 [0,1,0,0,1,0|0,1,0]=3 3774 B10R0.33 CCCC(SC)C(=O)OCC 62a_200000210301_100000695697 [0,1,0,0,1,0|0,1,0]=3 3775 B10R0.33 CCCC(S[13CH3])C(=O)OCC 62a_100000695697_200025704644 [0,1,0,0,1,0|0,1,0]=3 3776 B10R0.33 CCCC(S[13CH3])C(=O)OCC 62a_200025704644_100000695697 [0,1,0,0,1,0|0,1,0]=3 3777 B10R0.33 CCNC(CC)C(=O)OCC 2230a_100015525214_100000212269 [0,1,0,0,1,0|2,0,0]=4 3778 B10R0.33 CCOC(=O)C(C=O)SCC 62a_100000053139_100000210202 [0,1,0,0,1,0|1,0,1]=4 3779 B10R0.33 CCOC(=O)C(C=O)SCC 62a_100000210202_100000053139 [0,1,0,0,1,0|1,0,1]=4 3780 B10R0.33 CCOC(=O)C(CC)OCC 34a_100011216719_100000210202 [0,1,0,0,1,0|2,0,0]=4 3781 B10R0.33 CCOC(=O)C(CC)OCC 34a_100121572206_100000212269 [0,1,0,0,1,0|2,0,0]=4 3782 B10R0.33 CCOC(=O)C(CC)OCC 7a_100011216719_100000210202 [0,1,0,0,1,0|2,0,0]=4 3783 B10R0.33 CCOC(=O)C(CC)SCC 62a_100000210202_100000212269 [0,1,0,0,1,0|2,0,0]=4 3784 B10R0.33 CCOC(=O)C(CC)SCC 62a_100000212269_100000210202 [0,1,0,0,1,0|2,0,0]=4 3785 B10R0.33 CCOC(=O)C(NC)OCC 34a_100102657272_100000033883 [0,1,0,0,1,0|2,0,0]=4 3786 B10R0.33 CCOC(=O)C(OC)OCC 34a_100138415774_100000033883 [0,1,0,0,1,0|1,0,0]=3 3787 B10R0.33 CCOC(=O)C(OCC)SC 34a_100121572206_100009893047 [0,1,0,0,1,0|1,1,0]=4 3788 B10R0.33 CCOC(=O)C(OCC)SC 62a_100000033883_200000210301 [0,1,0,0,1,0|1,1,0]=4 3789 B10R0.33 CCOC(=O)C(OCC)SC 62a_200000210301_100000033883 [0,1,0,0,1,0|1,1,0]=4 3790 B10R0.33 CCOC(=O)C(OCC)S[13CH3] 62a_100000033883_200025704644 [0,1,0,0,1,0|1,1,0]=4 3791 B10R0.33 CCOC(=O)C(OCC)S[13CH3] 62a_200025704644_100000033883 [0,1,0,0,1,0|1,1,0]=4 3792 B10R0.33 CCOC(=O)C(SC)SCC 62a_100000210202_100009893047 [0,1,0,0,1,0|1,1,0]=4 3793 B10R0.33 CCOC(=O)C(SC)SCC 62a_100009893047_100000210202 [0,1,0,0,1,0|1,1,0]=4 3794 B10R0.129 CCCC(=O)C(C)(C)CCC 1458a_100011215034_100000210303 [0,1,0,0,1,0|2,0,0]=4 3795 B10R0.129 CCCC(C)(C)C(=O)NCC 11a_100015525214_100011215034 [0,1,0,0,1,0|2,0,0]=4 3796 B10R0.129 CCCC(C)(C)C(=O)NCC 240690a_100015525214_100011215034 [0,1,0,0,1,0|2,0,0]=4 3797 B10R0.129 CCCC(C)(C)C(=O)NCC 527a_100015525214_100011215034 [0,1,0,0,1,0|2,0,0]=4 3798 B10R0.129 CCNC(C)(C)C(=O)OCC 2230a_100015525214_100011216345 [0,1,0,0,1,0|2,0,0]=4 3799 B10R0.129 CCOC(=O)C(C)(C)CNC 2230a_106832991635_100011219049 [0,1,0,0,1,0|2,0,0]=4 3800 B10R0.129 CCOC(=O)C(C)(C)COC 7a_100011765865_200000210301 [0,1,0,0,1,0|2,0,0]=4 3801 B10R0.129 CCOC(=O)C(C)(C)CO[13CH3] 7a_100011765865_200025704644 [0,1,0,0,1,0|2,0,0]=4 3802 B10R0.129 CCOC(=O)C(C)(C)CSC 62a_100011219049_200000210301 [0,1,0,0,1,0|2,0,0]=4 3803 B10R0.129 CCOC(=O)C(C)(C)CSC 62a_200000210301_100011219049 [0,1,0,0,1,0|2,0,0]=4 3804 B10R0.129 CCOC(=O)C(C)(C)CS[13CH3] 62a_100011219049_200025704644 [0,1,0,0,1,0|2,0,0]=4 3805 B10R0.129 CCOC(=O)C(C)(C)CS[13CH3] 62a_200025704644_100011219049 [0,1,0,0,1,0|2,0,0]=4 3806 B10R0.129 CCOC(=O)C(C)(C)OCC 34a_100000686869_100000210202 [0,1,0,0,1,0|2,0,0]=4 3807 B10R0.129 CCOC(=O)C(C)(C)OCC 7a_100000686869_100000210202 [0,1,0,0,1,0|2,0,0]=4 3808 B10R0.129 CCOC(=O)C(C)(C)SCC 62a_100000210202_100011216345 [0,1,0,0,1,0|2,0,0]=4 3809 B10R0.129 CCOC(=O)C(C)(C)SCC 62a_100011216345_100000210202 [0,1,0,0,1,0|2,0,0]=4 3810 B10R0.129 CCOC(=O)C(F)(F)CNC 34a_100102657272_100009817193 [0,1,0,0,1,0|2,0,0]=4 3811 B10R0.129 CCOC(=O)C(F)(F)COC 34a_100138415774_100009817193 [0,1,0,0,1,0|2,0,0]=4 3812 B10R0.129 CCOC(=O)C(F)(F)CSC 62a_100009817193_200000210301 [0,1,0,0,1,0|2,0,0]=4 3813 B10R0.129 CCOC(=O)C(F)(F)CSC 62a_200000210301_100009817193 [0,1,0,0,1,0|2,0,0]=4 3814 B10R0.129 CCOC(=O)C(F)(F)CS[13CH3] 62a_100009817193_200025704644 [0,1,0,0,1,0|2,0,0]=4 3815 B10R0.129 CCOC(=O)C(F)(F)CS[13CH3] 62a_200025704644_100009817193 [0,1,0,0,1,0|2,0,0]=4 3816 B10R0.129 CCOC(=O)C(F)(F)OCC 34a_100121572206_100000210910 [0,1,0,0,1,0|2,0,0]=4 3817 B10R0.129 CCOC(=O)C(F)(F)SCC 62a_100000210202_100000210910 [0,1,0,0,1,0|2,0,0]=4 3818 B10R0.129 CCOC(=O)C(F)(F)SCC 62a_100000210910_100000210202 [0,1,0,0,1,0|2,0,0]=4 3819 B12R0.69 C=C(CN(C)CCC)C(=O)OCC 269982a_100000747261_100000755967 [0,1,0,0,0,1|2,0,0]=4 3820 B12R0.69 C=COC(=O)CC(=O)[C@@H](O)CCC 1458a_100009822183_100000036128 [0,1,0,0,0,1|0,0,2]=4 3821 B12R0.69 CCCC(=O)C(C)CC(=O)OCC 1458a_100000211992_100009817359 [0,1,0,0,0,1|0,0,2]=4 3822 B12R0.69 CCCC(=O)CC(=O)C(C)CCC 1458a_100000210906_100000747444 [0,1,0,0,0,1|2,0,0]=4 3823 B12R0.69 CCCC(=O)CC(=O)[C@@H](O)CCC 1458a_100009822183_100000747444 [0,1,0,0,0,1|1,0,0]=3 3824 B12R0.69 CCCC(=O)N(C)CC(=O)OCC 11a_100000220588_100000211992 [0,1,0,0,0,1|0,0,2]=4 3825 B12R0.69 CCCC(=O)N(C)CC(=O)OCC 1626a_100000220588_100000211992 [0,1,0,0,0,1|0,0,2]=4 3826 B12R0.69 CCCC(=O)N(C)CC(=O)OCC 240690a_100000220588_100000211992 [0,1,0,0,0,1|0,0,2]=4 3827 B12R0.69 CCCC(=O)N(C)CC(=O)OCC 527a_100000220588_100000211992 [0,1,0,0,0,1|0,0,2]=4 3828 B12R0.69 CCCC(=O)N(C)CC(O)COC 240690a_100000739405_100000211992 [0,1,0,0,0,1|2,0,0]=4 3829 B12R0.69 CCCC(=O)N(C)CC(O)COC 527a_100000739405_100000211992 [0,1,0,0,0,1|2,0,0]=4 3830 B12R0.69 CCCC(=O)N[C@H](C)C(=O)OCC 188690a_100016988386_100000211992 [0,1,0,0,0,1|0,0,2]=4 3831 B12R0.69 CCCC(C)C(=O)CC(=O)NCC 1458a_100000210906_100000183381 [0,1,0,0,0,1|2,0,0]=4 3832 B12R0.69 CCCC(C)C(=O)CC(=O)OCC 1458a_100000210906_100000188475 [0,1,0,0,0,1|1,0,0]=3 3833 B12R0.69 CCCC(C)C(=O)CC(=O)OCC 1458a_100000243816_100000766640 [0,1,0,0,0,1|1,0,0]=3 3834 B12R0.69 CCCC(C)CC(=O)C(=O)NCC 1458a_200011297158_100011216630 [0,1,0,0,0,1|2,0,0]=4 3835 B12R0.69 CCCC(C)N(C)CC(=O)NCC 2230a_100000741943_100000766640 [0,1,0,0,0,1|2,0,0]=4 3836 B12R0.69 CCCC(C)N(C)CC(=O)NCC 269982a_100000741943_100000766640 [0,1,0,0,0,1|2,0,0]=4 3837 B12R0.69 CCCC(C)N(C)CC(=O)NCC 270004a_100000741943_100000211909 [0,1,0,0,0,1|2,0,0]=4 3838 B12R0.69 CCCC(C)N(C)CC(=O)OCC 2230a_100000220588_100000766640 [0,1,0,0,0,1|1,0,0]=3 3839 B12R0.69 CCCC(C)N(C)CC(=O)OCC 270004a_100000220588_100000211909 [0,1,0,0,0,1|1,0,0]=3 3840 B12R0.69 CCCC(C)NC(=O)C(=O)OCC 11a_100000741246_100014798877 [0,1,0,0,0,1|1,0,1]=4 3841 B12R0.69 CCCC(C)NC(=O)C(=O)OCC 1626a_100000741246_100014798877 [0,1,0,0,0,1|1,0,1]=4 3842 B12R0.69 CCCC(C)NC(=O)C(=O)OCC 240690a_100000741246_100014798877 [0,1,0,0,0,1|1,0,1]=4 3843 B12R0.69 CCCC(C)NC(C)C(=O)NCC 2230a_100000736553_100000766640 [0,1,0,0,0,1|2,0,0]=4 3844 B12R0.69 CCCC(C)NC(C)C(=O)NCC 2230a_100000741246_100000230173 [0,1,0,0,0,1|2,0,0]=4 3845 B12R0.69 CCCC(C)NC(C)C(=O)NCC 270004a_100000736553_100000211909 [0,1,0,0,0,1|2,0,0]=4 3846 B12R0.69 CCCC(C)NC(C)C(=O)NCC 34a_100000736553_100000766640 [0,1,0,0,0,1|2,0,0]=4 3847 B12R0.69 CCCC(C)NC(C)C(=O)OCC 2230a_100000741246_100011215307 [0,1,0,0,0,1|1,0,0]=3 3848 B12R0.69 CCCC(C)NC(F)C(=O)OCC 2230a_100000741246_100000760018 [0,1,0,0,0,1|1,0,0]=3 3849 B12R0.69 CCCC(C)N[C@@H](C)C(=O)SCC 2230a_100103168634_100000766640 [0,1,0,0,0,1|1,1,0]=4 3850 B12R0.69 CCCC(C)OC(C)C(=O)NCC 34a_100000764384_100000230173 [0,1,0,0,0,1|2,0,0]=4 3851 B12R0.69 CCCC(C)OC(C)C(=O)NCC 7a_100000764384_100000230173 [0,1,0,0,0,1|2,0,0]=4 3852 B12R0.69 CCCC(C)OC(C)C(=O)OCC 34a_100000764384_100011216346 [0,1,0,0,0,1|1,0,0]=3 3853 B12R0.69 CCCC(C)OC(C)C(=O)OCC 7a_100000764384_100011216346 [0,1,0,0,0,1|1,0,0]=3 3854 B12R0.69 CCCC(C)OC(F)C(=O)OCC 34a_100000764384_100000760018 [0,1,0,0,0,1|1,0,0]=3 3855 B12R0.69 CCCC(C)OC(F)C(=O)OCC 7a_100000764384_100000040065 [0,1,0,0,0,1|1,0,0]=3 3856 B12R0.69 CCCC(C)O[C@@H](C)C(=O)OCC 7a_100000751109_100000766640 [0,1,0,0,0,1|1,0,0]=3 3857 B12R0.69 CCCC(C)SC(C)C(=O)NCC 62a_100000230173_100000766640 [0,1,0,0,0,1|2,0,0]=4 3858 B12R0.69 CCCC(C)SC(C)C(=O)NCC 62a_100000766640_100000230173 [0,1,0,0,0,1|2,0,0]=4 3859 B12R0.69 CCCC(C)SC(C)C(=O)OCC 62a_100000766640_100011216346 [0,1,0,0,0,1|1,0,0]=3 3860 B12R0.69 CCCC(C)SC(C)C(=O)OCC 62a_100011216346_100000766640 [0,1,0,0,0,1|1,0,0]=3 3861 B12R0.69 CCCC(C)SC(F)C(=O)OCC 62a_100000760018_100000766640 [0,1,0,0,0,1|1,0,0]=3 3862 B12R0.69 CCCC(C)SC(F)C(=O)OCC 62a_100000766640_100000760018 [0,1,0,0,0,1|1,0,0]=3 3863 B12R0.69 CCCN(C)C(=O)CC(=O)OCC 240690a_100000747261_100000243816 [0,1,0,0,0,1|2,0,0]=4 3864 B12R0.69 CCCN(C)C(C)CC(=O)OCC 2230a_100000747261_100009817359 [0,1,0,0,0,1|2,0,0]=4 3865 B12R0.69 CCCN(C)C(C)CC(=O)OCC 269982a_100000747261_100009817359 [0,1,0,0,0,1|2,0,0]=4 3866 B12R0.69 CCCN(C)C(C)OC(=O)OCC 269982a_100000747261_100000036008 [0,1,0,0,0,1|2,0,0]=4 3867 B12R0.69 CCCN(C)CC(=O)C(=O)OCC 269982a_100000747261_100000211299 [0,1,0,0,0,1|2,0,0]=4 3868 B12R0.69 CCC[C@H](O)C(=O)CC(=O)NCC 1458a_100009822183_100000183381 [0,1,0,0,0,1|1,0,0]=3 3869 B12R0.69 CCC[C@H](O)C(=O)CC(=O)NCO 1458a_100009822183_100000185155 [0,1,0,0,0,1|2,0,0]=4 3870 B12R0.69 CCC[C@H](O)C(=O)CC(=O)OCC 1458a_100009822183_100000188475 [0,1,0,0,0,1|0,0,0]=2 3871 B12R0.69 CCNC(=O)N(C)CC(O)COC 273464a_100015525214_100000739405 [0,1,0,0,0,1|2,0,0]=4 3872 B12R0.69 CCOC(=O)C(C)N[C@H](C)CCO 2230a_100000706166_100011215307 [0,1,0,0,0,1|2,0,0]=4 3873 B12R0.69 CCOC(=O)C(C)N[C@H](C)CCO 34a_100000706166_100011216346 [0,1,0,0,0,1|2,0,0]=4 3874 B12R0.69 CCOC(=O)C(C)N[C@H](C)COC 2230a_100000764878_100011215307 [0,1,0,0,0,1|2,0,0]=4 3875 B12R0.69 CCOC(=O)C(C)OC(C)CCBr 34a_100012276601_100011216346 [0,1,0,0,0,1|2,0,0]=4 3876 B12R0.69 CCOC(=O)C(C)O[C@H](C)COC 34a_100011934205_100011216346 [0,1,0,0,0,1|2,0,0]=4 3877 B12R0.69 CCOC(=O)C(C)SC(C)CCO 62a_100009893172_100011216346 [0,1,0,0,0,1|2,0,0]=4 3878 B12R0.69 CCOC(=O)C(C)SC(C)CCO 62a_100011216346_100009893172 [0,1,0,0,0,1|2,0,0]=4 3879 B12R0.69 CCOC(=O)C(C)SC(C)COC 62a_100000765312_100011216346 [0,1,0,0,0,1|2,0,0]=4 3880 B12R0.69 CCOC(=O)C(C)SC(C)COC 62a_100011216346_100000765312 [0,1,0,0,0,1|2,0,0]=4 3881 B12R0.69 CCOC(=O)C(F)N[C@H](C)CCO 2230a_100000706166_100000760018 [0,1,0,0,0,1|2,0,0]=4 3882 B12R0.69 CCOC(=O)C(F)N[C@H](C)CCO 34a_100000706166_100000760018 [0,1,0,0,0,1|2,0,0]=4 3883 B12R0.69 CCOC(=O)C(F)N[C@H](C)COC 2230a_100000764878_100000760018 [0,1,0,0,0,1|2,0,0]=4 3884 B12R0.69 CCOC(=O)C(F)OC(C)CCBr 34a_100012276601_100000760018 [0,1,0,0,0,1|2,0,0]=4 3885 B12R0.69 CCOC(=O)C(F)O[C@H](C)COC 34a_100011934205_100000760018 [0,1,0,0,0,1|2,0,0]=4 3886 B12R0.69 CCOC(=O)C(F)SC(C)CCO 62a_100000760018_100009893172 [0,1,0,0,0,1|2,0,0]=4 3887 B12R0.69 CCOC(=O)C(F)SC(C)CCO 62a_100009893172_100000760018 [0,1,0,0,0,1|2,0,0]=4 3888 B12R0.69 CCOC(=O)C(F)SC(C)COC 62a_100000760018_100000765312 [0,1,0,0,0,1|2,0,0]=4 3889 B12R0.69 CCOC(=O)C(F)SC(C)COC 62a_100000765312_100000760018 [0,1,0,0,0,1|2,0,0]=4 3890 B12R0.69 CCOC(=O)CC(=O)C(C)CCO 1458a_100000243816_100009893172 [0,1,0,0,0,1|2,0,0]=4 3891 B12R0.69 CCOC(=O)CC(=O)C(C)COC 1458a_100000243816_100000765312 [0,1,0,0,0,1|2,0,0]=4 3892 B12R0.69 CCOC(=O)CC(=O)C(C)COC 1458a_100000751857_100000188475 [0,1,0,0,0,1|2,0,0]=4 3893 B12R0.69 CCOC(=O)CC(=O)C(C)CSC 1458a_100000753918_100000188475 [0,1,0,0,0,1|2,0,0]=4 3894 B12R0.69 CCOC(=O)CC(=O)C(C)OCC 1458a_100000739345_100000188475 [0,1,0,0,0,1|2,0,0]=4 3895 B12R0.69 CCOC(=O)CC(=O)C(C)SCC 1458a_100000230601_100000188475 [0,1,0,0,0,1|2,0,0]=4 3896 B12R0.69 CCOC(=O)CC(=O)C(C)SCC 62a_100000210202_100010090504 [0,1,0,0,0,1|2,0,0]=4 3897 B12R0.69 CCOC(=O)CC(=O)C(C)SCC 62a_100010090504_100000210202 [0,1,0,0,0,1|2,0,0]=4 3898 B12R0.69 CCOC(=O)CN(C)C(C)CCO 2230a_100000220588_100009893172 [0,1,0,0,0,1|2,0,0]=4 3899 B12R0.69 CCOC(=O)CN(C)C(C)CCO 2230a_100000731037_100000188475 [0,1,0,0,0,1|2,0,0]=4 3900 B12R0.69 CCOC(=O)CN(C)C(C)CCO 269982a_100000731037_100000188475 [0,1,0,0,0,1|2,0,0]=4 3901 B12R0.69 CCOC(=O)CN(C)C(C)COC 2230a_100000220588_100000765312 [0,1,0,0,0,1|2,0,0]=4 3902 B12R0.69 CCOC(=O)CN(C)C(C)COC 270004a_100000220588_100000749346 [0,1,0,0,0,1|2,0,0]=4 3903 B12R0.69 CCOC(=O)CN(C)C(C)CSC 270004a_100000220588_100011216314 [0,1,0,0,0,1|2,0,0]=4 3904 B12R0.69 CCOC(=O)[C@H](C)OC(C)CCO 7a_100000751109_100009893172 [0,1,0,0,0,1|2,0,0]=4 3905 B12R0.69 CCOC(=O)[C@H](C)OC(C)COC 7a_100000751109_100000765312 [0,1,0,0,0,1|2,0,0]=4 3906 B12R0.74 C#CC(CCC)OCC(=O)CCC 7a_200011217317_100000747444 [0,1,0,0,0,1|2,0,0]=4 3907 B12R0.74 C#CC(CCC)OCC(=O)NCC 34a_200011217317_100000183381 [0,1,0,0,0,1|2,0,0]=4 3908 B12R0.74 C#CC(CCC)OCC(=O)NCC 7a_200011217317_100000183381 [0,1,0,0,0,1|2,0,0]=4 3909 B12R0.74 C#CC(CCC)OCC(=O)OCC 34a_200011217317_100000188475 [0,1,0,0,0,1|1,0,0]=3 3910 B12R0.74 C#CC(CCC)OCC(=O)OCC 7a_200011217317_100000188475 [0,1,0,0,0,1|1,0,0]=3 3911 B12R0.74 C=CC(CCC)OCC(=O)CCC 7a_100011216692_100000747444 [0,1,0,0,0,1|2,0,0]=4 3912 B12R0.74 C=CC(CCC)OCC(=O)NCC 34a_100011216692_100000183381 [0,1,0,0,0,1|2,0,0]=4 3913 B12R0.74 C=CC(CCC)OCC(=O)NCC 7a_100011216692_100000183381 [0,1,0,0,0,1|2,0,0]=4 3914 B12R0.74 C=CC(CCC)OCC(=O)OCC 34a_100011216692_100000188475 [0,1,0,0,0,1|1,0,0]=3 3915 B12R0.74 C=CC(CCC)OCC(=O)OCC 7a_100011216692_100000188475 [0,1,0,0,0,1|1,0,0]=3 3916 B12R0.74 C=CC[C@H](CO)NCC(=O)OCC 2230a_100020615467_100000188475 [0,1,0,0,0,1|0,0,2]=4 3917 B12R0.74 C=COC(=O)CN[C@H](CO)CCC 2230a_100000732646_100000036128 [0,1,0,0,0,1|0,0,2]=4 3918 B12R0.74 C=COC(=O)CN[C@H](CO)CCC 34a_100000732646_100000036128 [0,1,0,0,0,1|0,0,2]=4 3919 B12R0.74 CCCC(=O)CNC(CC)CCC 2230a_100000747048_100000747444 [0,1,0,0,0,1|2,0,0]=4 3920 B12R0.74 CCCC(=O)CNC(CO)COC 2230a_100000724102_100000747444 [0,1,0,0,0,1|2,0,0]=4 3921 B12R0.74 CCCC(=O)CN[C@H](CO)CCC 2230a_100000732646_100000747444 [0,1,0,0,0,1|1,0,0]=3 3922 B12R0.74 CCCC(=O)COC(C#N)CCC 7a_100000686963_100000747444 [0,1,0,0,0,1|2,0,0]=4 3923 B12R0.74 CCCC(=O)COC(CC)CCC 7a_100000687864_100000747444 [0,1,0,0,0,1|2,0,0]=4 3924 B12R0.74 CCCC(=O)CSC(CC)CCC 62a_100000747444_100011219200 [0,1,0,0,0,1|2,0,0]=4 3925 B12R0.74 CCCC(=O)CSC(CC)CCC 62a_100011219200_100000747444 [0,1,0,0,0,1|2,0,0]=4 3926 B12R0.74 CCCC(C#N)OCC(=O)NCC 34a_100000686963_100000183381 [0,1,0,0,0,1|2,0,0]=4 3927 B12R0.74 CCCC(C#N)OCC(=O)NCC 7a_100000686963_100000183381 [0,1,0,0,0,1|2,0,0]=4 3928 B12R0.74 CCCC(C#N)OCC(=O)OCC 34a_100000686963_100000188475 [0,1,0,0,0,1|1,0,0]=3 3929 B12R0.74 CCCC(C#N)OCC(=O)OCC 7a_100000686963_100000188475 [0,1,0,0,0,1|1,0,0]=3 3930 B12R0.74 CCCC(CC)NCC(=O)NCC 2230a_100000747048_100000183381 [0,1,0,0,0,1|2,0,0]=4 3931 B12R0.74 CCCC(CC)NCC(=O)NCC 270004a_100016988866_100000687865 [0,1,0,0,0,1|2,0,0]=4 3932 B12R0.74 CCCC(CC)NCC(=O)OCC 2230a_100000747048_100000188475 [0,1,0,0,0,1|1,0,0]=3 3933 B12R0.74 CCCC(CC)OCC(=O)NCC 34a_100000687864_100000183381 [0,1,0,0,0,1|2,0,0]=4 3934 B12R0.74 CCCC(CC)OCC(=O)NCC 7a_100000687864_100000183381 [0,1,0,0,0,1|2,0,0]=4 3935 B12R0.74 CCCC(CC)OCC(=O)OCC 34a_100000687864_100000188475 [0,1,0,0,0,1|1,0,0]=3 3936 B12R0.74 CCCC(CC)OCC(=O)OCC 7a_100000687864_100000188475 [0,1,0,0,0,1|1,0,0]=3 3937 B12R0.74 CCCC(CC)SCC(=O)NCC 62a_100000183381_100011219200 [0,1,0,0,0,1|2,0,0]=4 3938 B12R0.74 CCCC(CC)SCC(=O)NCC 62a_100011219200_100000183381 [0,1,0,0,0,1|2,0,0]=4 3939 B12R0.74 CCCC(CC)SCC(=O)OCC 62a_100000188475_100011219200 [0,1,0,0,0,1|1,0,0]=3 3940 B12R0.74 CCCC(CC)SCC(=O)OCC 62a_100011219200_100000188475 [0,1,0,0,0,1|1,0,0]=3 3941 B12R0.74 CCCN(CC)CCC(=O)OCC 2230a_100000226822_100011206558 [0,1,0,0,0,1|2,0,0]=4 3942 B12R0.74 CCCN(CC)CCC(=O)OCC 2230a_200011277716_100000210303 [0,1,0,0,0,1|2,0,0]=4 3943 B12R0.74 CCCN(CC)CCC(=O)OCC 269982a_100000226822_100011206558 [0,1,0,0,0,1|2,0,0]=4 3944 B12R0.74 CCCN(CC)CCC(=O)OCC 269982a_200011277716_100000210303 [0,1,0,0,0,1|2,0,0]=4 3945 B12R0.74 CCC[C@@H](CO)NCC(=O)NCC 2230a_100000732646_100000183381 [0,1,0,0,0,1|1,0,0]=3 3946 B12R0.74 CCC[C@@H](CO)NCC(=O)NCC 34a_100000732646_100000183381 [0,1,0,0,0,1|1,0,0]=3 3947 B12R0.74 CCC[C@@H](CO)NCC(=O)NCO 2230a_100000732646_100000185155 [0,1,0,0,0,1|2,0,0]=4 3948 B12R0.74 CCC[C@@H](CO)NCC(=O)NCO 34a_100000732646_100000185155 [0,1,0,0,0,1|2,0,0]=4 3949 B12R0.74 CCC[C@@H](CO)NCC(=O)OCC 2230a_100000732646_100000188475 [0,1,0,0,0,1|0,0,0]=2 3950 B12R0.74 CCC[C@@H](CO)NCC(=O)OCC 34a_100000732646_100000188475 [0,1,0,0,0,1|0,0,0]=2 3951 B12R0.74 CCNC(=O)CNC(CO)COC 2230a_100000724102_100000183381 [0,1,0,0,0,1|2,0,0]=4 3952 B12R0.74 CCNC(=O)CNC(CO)COC 34a_100000724102_100000183381 [0,1,0,0,0,1|2,0,0]=4 3953 B12R0.74 CCOC(=O)CNC(CC)COC 2230a_100000757820_100000188475 [0,1,0,0,0,1|2,0,0]=4 3954 B12R0.74 CCOC(=O)CNC(CO)COC 2230a_100000724102_100000188475 [0,1,0,0,0,1|1,0,0]=3 3955 B12R0.74 CCOC(=O)CNC(CO)COC 34a_100000724102_100000188475 [0,1,0,0,0,1|1,0,0]=3 3956 B12R0.74 CCOC(=O)COC(CC)COC 7a_200011214946_100000188475 [0,1,0,0,0,1|2,0,0]=4 3957 B12R0.74 CCOC(=O)COC(CCl)COC 34a_100011215053_100000188475 [0,1,0,0,0,1|2,0,0]=4 3958 B12R0.74 CCOC(=O)COC(CN)COC 34a_100000756049_100000188475 [0,1,0,0,0,1|2,0,0]=4 3959 B12R0.79 CCC(C)C(=O)NCC(O)COC 240690a_100000756049_100011192722 [0,1,0,0,0,1|2,0,0]=4 3960 B12R0.79 CCC(C)C(=O)NCC(O)COC 527a_100000756049_100011192722 [0,1,0,0,0,1|2,0,0]=4 3961 B12R0.79 CCC(O)C(=O)NCC(O)COC 240690a_100000756049_100011196387 [0,1,0,0,0,1|2,0,0]=4 3962 B12R0.79 CCCC(=O)COC(C)C(C)CC 7a_100011215189_100000747444 [0,1,0,0,0,1|2,0,0]=4 3963 B12R0.79 CCCC(C)NCC(=O)N(C)CC 2230a_100000741246_100000738999 [0,1,0,0,0,1|2,0,0]=4 3964 B12R0.79 CCCC(C)OCC(=O)N(C)CC 34a_100000764384_100000738999 [0,1,0,0,0,1|2,0,0]=4 3965 B12R0.79 CCCC(C)OCC(=O)N(C)CC 7a_100000764384_100000738999 [0,1,0,0,0,1|2,0,0]=4 3966 B12R0.79 CCCC(C)SCC(=O)N(C)CC 62a_100000738999_100000766640 [0,1,0,0,0,1|2,0,0]=4 3967 B12R0.79 CCCC(C)SCC(=O)N(C)CC 62a_100000766640_100000738999 [0,1,0,0,0,1|2,0,0]=4 3968 B12R0.79 CCN(C)C(=O)NCC(O)COC 273464a_100000756049_100000225621 [0,1,0,0,0,1|2,0,0]=4 3969 B12R0.79 CCNC(=O)CNC(C)C(C)CC 270004a_100016988866_100000210599 [0,1,0,0,0,1|2,0,0]=4 3970 B12R0.79 CCNC(=O)COC(C)C(C)CC 7a_100011215189_100000183381 [0,1,0,0,0,1|2,0,0]=4 3971 B12R0.79 CCOC(=O)CCC(=O)C(C)CC 1458a_100000183558_100000758301 [0,1,0,0,0,1|0,0,2]=4 3972 B12R0.79 CCOC(=O)CCC(C)C(=O)CC 1458a_100000210414_100000748298 [0,1,0,0,0,1|1,0,1]=4 3973 B12R0.79 CCOC(=O)CCC(C)N(C)CC 2230a_100000225621_100000748298 [0,1,0,0,0,1|2,0,0]=4 3974 B12R0.79 CCOC(=O)CCC(C)N(C)CC 269982a_100000225621_100000748298 [0,1,0,0,0,1|2,0,0]=4 3975 B12R0.79 CCOC(=O)CCN(C)C(C)CC 2230a_100000741768_100011206558 [0,1,0,0,0,1|2,0,0]=4 3976 B12R0.79 CCOC(=O)CCN(C)C(C)CC 2230a_100000745921_100000758301 [0,1,0,0,0,1|2,0,0]=4 3977 B12R0.79 CCOC(=O)CCN(C)C(C)CC 269982a_100000741768_100011206558 [0,1,0,0,0,1|2,0,0]=4 3978 B12R0.79 CCOC(=O)CCN(C)C(C)CC 269982a_100000745921_100000758301 [0,1,0,0,0,1|2,0,0]=4 3979 B12R0.79 CCOC(=O)CNC(=O)C(C)CC 188690a_100000741813_100011192722 [0,1,0,0,0,1|0,0,2]=4 3980 B12R0.79 CCOC(=O)CNC(=O)C(O)CC 188690a_100000741813_100011196387 [0,1,0,0,0,1|0,0,2]=4 3981 B12R0.79 CCOC(=O)COC(C)C(C)CC 7a_100011215189_100000188475 [0,1,0,0,0,1|1,0,0]=3 3982 B12R0.79 CCOC(=O)CSC(C)C(=O)CC 62a_100000188475_100000742827 [0,1,0,0,0,1|1,0,1]=4 3983 B12R0.79 CCOC(=O)CSC(C)C(=O)CC 62a_100000742827_100000188475 [0,1,0,0,0,1|1,0,1]=4 3984 B12R0.79 CCOC(=O)NCC(=O)C(C)CC 1458a_100000190774_100000758301 [0,1,0,0,0,1|0,0,2]=4 3985 B12R0.101 C=C(COC(C)CCC)OCOC 34a_100000764384_100000042856 [0,1,0,0,0,1|2,0,0]=4 3986 B12R0.101 C=C(CSC(C)CCC)OCOC 62a_100000042856_100000766640 [0,1,0,0,0,1|2,0,0]=4 3987 B12R0.101 C=C(CSC(C)CCC)OCOC 62a_100000766640_100000042856 [0,1,0,0,0,1|2,0,0]=4 3988 B12R0.101 C=CCCC(C)OCC(=O)OCC 34a_100000765329_100000188475 [0,1,0,0,0,1|1,0,1]=4 3989 B12R0.101 C=CCCC(C)OCC(=O)OCC 7a_100000765329_100000188475 [0,1,0,0,0,1|1,0,1]=4 3990 B12R0.101 C=CCOC(=O)CNC(C)CCC 2230a_100000741246_100000033060 [0,1,0,0,0,1|1,0,1]=4 3991 B12R0.101 C=CCOC(=O)COC(C)CCC 34a_100000764384_100000033060 [0,1,0,0,0,1|1,0,1]=4 3992 B12R0.101 C=CCOC(=O)COC(C)CCC 7a_100000764384_100000033060 [0,1,0,0,0,1|1,0,1]=4 3993 B12R0.101 C=CCOC(=O)CSC(C)CCC 62a_100000033060_100000766640 [0,1,0,0,0,1|1,0,1]=4 3994 B12R0.101 C=CCOC(=O)CSC(C)CCC 62a_100000766640_100000033060 [0,1,0,0,0,1|1,0,1]=4 3995 B12R0.101 CC=CC(=O)NCC(O)COCC 240690a_102515437182_100000210699 [0,1,0,0,0,1|1,0,1]=4 3996 B12R0.101 CCC#CC(C)OCC(=O)OCC 34a_100000033903_100000188475 [0,1,0,0,0,1|1,0,1]=4 3997 B12R0.101 CCC#CC(C)OCC(=O)OCC 7a_100000033903_100000188475 [0,1,0,0,0,1|1,0,1]=4 3998 B12R0.101 CCC=CC(=O)NCC(O)COC 240690a_100000756049_100000212282 [0,1,0,0,0,1|2,0,0]=4 3999 B12R0.101 CCCC(=O)COC(C)CCCCl 7a_200000718107_100000747444 [0,1,0,0,0,1|2,0,0]=4 4000 B12R0.101 CCCC(=O)COC(C)COCC 7a_100000718985_100000747444 [0,1,0,0,0,1|2,0,0]=4 4001 B12R0.101 CCCC(=O)NCC(O)COCC 240690a_102515437182_100000211992 [0,1,0,0,0,1|1,0,0]=3 4002 B12R0.101 CCCC(=O)NCC(O)COCC 527a_102515437182_100000211992 [0,1,0,0,0,1|1,0,0]=3 4003 B12R0.101 CCCC(=O)NC[C@H](C)CCCO 240690a_100160569302_100000211992 [0,1,0,0,0,1|2,0,0]=4 4004 B12R0.101 CCCC(=O)NC[C@H](C)CCCO 527a_100160569302_100000211992 [0,1,0,0,0,1|2,0,0]=4 4005 B12R0.101 CCCC(=O)OCC(=O)COCC 1458a_100000211967_100000034017 [0,1,0,0,0,1|0,0,2]=4 4006 B12R0.101 CCCC(C)NCC(=O)NCCF 2230a_100000725713_100000766640 [0,1,0,0,0,1|2,0,0]=4 4007 B12R0.101 CCCC(C)NCC(=O)NCCF 270004a_100000725713_100000211909 [0,1,0,0,0,1|2,0,0]=4 4008 B12R0.101 CCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210211 [0,1,0,0,0,1|0,0,2]=4 4009 B12R0.101 CCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210211 [0,1,0,0,0,1|0,0,2]=4 4010 B12R0.101 CCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000210183 [0,1,0,0,0,1|0,0,2]=4 4011 B12R0.101 CCCCC(=O)NCC(O)COC 240690a_100000756049_100000210183 [0,1,0,0,0,1|2,0,0]=4 4012 B12R0.101 CCCCC(=O)NCC(O)COC 527a_100000756049_100000210183 [0,1,0,0,0,1|2,0,0]=4 4013 B12R0.101 CCCCC(C)CCC(=O)CCC 1458a_100000033779_100000210303 [0,1,0,0,0,1|2,0,0]=4 4014 B12R0.101 CCCCC(C)CCC(=O)NCC 11a_100015525214_100000033779 [0,1,0,0,0,1|2,0,0]=4 4015 B12R0.101 CCCCC(C)CCC(=O)NCC 240690a_100015525214_100000033779 [0,1,0,0,0,1|2,0,0]=4 4016 B12R0.101 CCCCC(C)CCC(=O)NCC 527a_100015525214_100000033779 [0,1,0,0,0,1|2,0,0]=4 4017 B12R0.101 CCCCC(C)NCC(=O)CCC 2230a_100000126638_100000747444 [0,1,0,0,0,1|2,0,0]=4 4018 B12R0.101 CCCCC(C)NCC(=O)NCC 2230a_100000126638_100000183381 [0,1,0,0,0,1|2,0,0]=4 4019 B12R0.101 CCCCC(C)NCC(=O)NCC 2230a_100016988866_200011215066 [0,1,0,0,0,1|2,0,0]=4 4020 B12R0.101 CCCCC(C)NCC(=O)NCC 270004a_100016988866_100000210087 [0,1,0,0,0,1|2,0,0]=4 4021 B12R0.101 CCCCC(C)NCC(=O)OCC 2230a_100000126638_100000188475 [0,1,0,0,0,1|1,0,0]=3 4022 B12R0.101 CCCCC(C)OCC(=O)CCC 7a_100000687866_100000747444 [0,1,0,0,0,1|2,0,0]=4 4023 B12R0.101 CCCCC(C)OCC(=O)NCC 34a_100000687866_100000183381 [0,1,0,0,0,1|2,0,0]=4 4024 B12R0.101 CCCCC(C)OCC(=O)NCC 7a_100000687866_100000183381 [0,1,0,0,0,1|2,0,0]=4 4025 B12R0.101 CCCCC(C)OCC(=O)OCC 34a_100000687866_100000188475 [0,1,0,0,0,1|1,0,0]=3 4026 B12R0.101 CCCCC(C)OCC(=O)OCC 7a_100000687866_100000188475 [0,1,0,0,0,1|1,0,0]=3 4027 B12R0.101 CCCCC(C)SCC(=O)CCC 62a_100000747444_200011215066 [0,1,0,0,0,1|2,0,0]=4 4028 B12R0.101 CCCCC(C)SCC(=O)CCC 62a_200011215066_100000747444 [0,1,0,0,0,1|2,0,0]=4 4029 B12R0.101 CCCCC(C)SCC(=O)NCC 62a_100000183381_200011215066 [0,1,0,0,0,1|2,0,0]=4 4030 B12R0.101 CCCCC(C)SCC(=O)NCC 62a_200011215066_100000183381 [0,1,0,0,0,1|2,0,0]=4 4031 B12R0.101 CCCCC(C)SCC(=O)OCC 62a_100000188475_200011215066 [0,1,0,0,0,1|1,0,0]=3 4032 B12R0.101 CCCCC(C)SCC(=O)OCC 62a_200011215066_100000188475 [0,1,0,0,0,1|1,0,0]=3 4033 B12R0.101 CCCCN(C)CCC(=O)OCC 2230a_100000207549_100011206558 [0,1,0,0,0,1|2,0,0]=4 4034 B12R0.101 CCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210211 [0,1,0,0,0,1|2,0,0]=4 4035 B12R0.101 CCCCN(C)CCC(=O)OCC 269982a_100000207549_100011206558 [0,1,0,0,0,1|2,0,0]=4 4036 B12R0.101 CCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210211 [0,1,0,0,0,1|2,0,0]=4 4037 B12R0.101 CCCNC(=O)CCC(=O)OCC 11a_100020643023_100000183558 [0,1,0,0,0,1|0,0,2]=4 4038 B12R0.101 CCCNC(=O)CCC(=O)OCC 1626a_100020643023_100000183558 [0,1,0,0,0,1|0,0,2]=4 4039 B12R0.101 CCCNC(=O)CCC(=O)OCC 240690a_100020643023_100000183558 [0,1,0,0,0,1|0,0,2]=4 4040 B12R0.101 CCCNC(=O)CNC(=O)OCC 11a_100020643023_100000190774 [0,1,0,0,0,1|0,0,2]=4 4041 B12R0.101 CCCNC(=O)CNC(=O)OCC 1626a_100020643023_100000190774 [0,1,0,0,0,1|0,0,2]=4 4042 B12R0.101 CCCNC(=O)CNC(=O)OCC 240690a_100020643023_100000190774 [0,1,0,0,0,1|0,0,2]=4 4043 B12R0.101 CCCNC(=O)CNC(=O)OCC 527a_100020643023_100000190774 [0,1,0,0,0,1|0,0,2]=4 4044 B12R0.101 CCCNC(=O)CNC(C)CCC 2230a_100000174927_100000766640 [0,1,0,0,0,1|2,0,0]=4 4045 B12R0.101 CCCNC(=O)CNC(C)CCC 2230a_100000741246_100000183358 [0,1,0,0,0,1|2,0,0]=4 4046 B12R0.101 CCCNC(=O)CNC(C)CCC 270004a_100000174927_100000211909 [0,1,0,0,0,1|2,0,0]=4 4047 B12R0.101 CCCNC(=O)COC(C)CCC 34a_100000764384_100000183358 [0,1,0,0,0,1|2,0,0]=4 4048 B12R0.101 CCCNC(=O)COC(C)CCC 7a_100000764384_100000183358 [0,1,0,0,0,1|2,0,0]=4 4049 B12R0.101 CCCNC(=O)CSC(C)CCC 62a_100000183358_100000766640 [0,1,0,0,0,1|2,0,0]=4 4050 B12R0.101 CCCNC(=O)CSC(C)CCC 62a_100000766640_100000183358 [0,1,0,0,0,1|2,0,0]=4 4051 B12R0.101 CCCNC(=O)NCC(O)COC 2708a_100020643023_100000756049 [0,1,0,0,0,1|2,0,0]=4 4052 B12R0.101 CCCNC(=O)NCC(O)COC 273464a_100000756049_100020643023 [0,1,0,0,0,1|2,0,0]=4 4053 B12R0.101 CCCNC(=O)NCC(O)COC 273464a_100020643023_100000756049 [0,1,0,0,0,1|2,0,0]=4 4054 B12R0.101 CCCNC(=O)NCC(O)COC 512a_100000756049_100020643023 [0,1,0,0,0,1|2,0,0]=4 4055 B12R0.101 CCCNC(=O)NCC(O)COC 512a_100020643023_100000756049 [0,1,0,0,0,1|2,0,0]=4 4056 B12R0.101 CCCOC(=O)CNC(C)CCC 2230a_100000741246_200011215008 [0,1,0,0,0,1|1,0,0]=3 4057 B12R0.101 CCCOC(=O)CN[C@H](C)CCO 2230a_100000706166_200011215008 [0,1,0,0,0,1|2,0,0]=4 4058 B12R0.101 CCCOC(=O)CN[C@H](C)CCO 34a_100000706166_200011215008 [0,1,0,0,0,1|2,0,0]=4 4059 B12R0.101 CCCOC(=O)CN[C@H](C)COC 2230a_100000764878_200011215008 [0,1,0,0,0,1|2,0,0]=4 4060 B12R0.101 CCCOC(=O)COC(C)CCBr 34a_100012276601_200011215008 [0,1,0,0,0,1|2,0,0]=4 4061 B12R0.101 CCCOC(=O)COC(C)CCC 34a_100000764384_200011215008 [0,1,0,0,0,1|1,0,0]=3 4062 B12R0.101 CCCOC(=O)COC(C)CCC 7a_100000764384_200011215008 [0,1,0,0,0,1|1,0,0]=3 4063 B12R0.101 CCCOC(=O)CO[C@H](C)COC 34a_100011934205_200011215008 [0,1,0,0,0,1|2,0,0]=4 4064 B12R0.101 CCCOC(=O)CSC(C)CCC 62a_100000766640_200011215008 [0,1,0,0,0,1|1,0,0]=3 4065 B12R0.101 CCCOC(=O)CSC(C)CCC 62a_200011215008_100000766640 [0,1,0,0,0,1|1,0,0]=3 4066 B12R0.101 CCCOC(=O)CSC(C)CCO 62a_100009893172_200011215008 [0,1,0,0,0,1|2,0,0]=4 4067 B12R0.101 CCCOC(=O)CSC(C)CCO 62a_200011215008_100009893172 [0,1,0,0,0,1|2,0,0]=4 4068 B12R0.101 CCCOC(=O)CSC(C)COC 62a_100000765312_200011215008 [0,1,0,0,0,1|2,0,0]=4 4069 B12R0.101 CCCOC(=O)CSC(C)COC 62a_200011215008_100000765312 [0,1,0,0,0,1|2,0,0]=4 4070 B12R0.101 CCCOC(=O)OCC(=O)CCC 1458a_100000211992_200000139673 [0,1,0,0,0,1|0,0,2]=4 4071 B12R0.101 CCCOC(=O)OCN(C)CCC 269982a_100000747261_200000139673 [0,1,0,0,0,1|2,0,0]=4 4072 B12R0.101 CCCOC(C)CCC(=O)OCC 34a_100000210258_100000748298 [0,1,0,0,0,1|1,0,0]=3 4073 B12R0.101 CCCOC(C)CNC(=O)CCC 11a_100015185124_100000211992 [0,1,0,0,0,1|2,0,0]=4 4074 B12R0.101 CCCOC(C)CNC(=O)CCC 1626a_100015185124_100000211992 [0,1,0,0,0,1|2,0,0]=4 4075 B12R0.101 CCCOC(C)CNC(=O)CCC 240690a_100015185124_100000211992 [0,1,0,0,0,1|2,0,0]=4 4076 B12R0.101 CCCOC(C)CNC(=O)CCC 527a_100015185124_100000211992 [0,1,0,0,0,1|2,0,0]=4 4077 B12R0.101 CCCOC(C)CNC(=O)NCC 2708a_100015185124_100015525214 [0,1,0,0,0,1|2,0,0]=4 4078 B12R0.101 CCCOC(C)CNC(=O)NCC 2708a_100015525214_100015185124 [0,1,0,0,0,1|2,0,0]=4 4079 B12R0.101 CCCOC(C)CNC(=O)NCC 273464a_100015185124_100015525214 [0,1,0,0,0,1|2,0,0]=4 4080 B12R0.101 CCCOC(C)CNC(=O)NCC 273464a_100015525214_100015185124 [0,1,0,0,0,1|2,0,0]=4 4081 B12R0.101 CCCOC(C)CNC(=O)NCC 512a_100015185124_100015525214 [0,1,0,0,0,1|2,0,0]=4 4082 B12R0.101 CCCOC(C)CNC(=O)NCC 512a_100015525214_100015185124 [0,1,0,0,0,1|2,0,0]=4 4083 B12R0.101 CCCSC(C)CCC(=O)OCC 62a_100000210303_100000748298 [0,1,0,0,0,1|1,0,0]=3 4084 B12R0.101 CCCSC(C)CCC(=O)OCC 62a_100000748298_100000210303 [0,1,0,0,0,1|1,0,0]=3 4085 B12R0.101 CCNC(=O)CNC(C)CCOC 270004a_100016988866_100000742357 [0,1,0,0,0,1|2,0,0]=4 4086 B12R0.101 CCNC(=O)CNC(C)CCSC 270004a_100016988866_100011217047 [0,1,0,0,0,1|2,0,0]=4 4087 B12R0.101 CCNC(=O)CNC(C)CSCC 270004a_100016988866_200011216171 [0,1,0,0,0,1|2,0,0]=4 4088 B12R0.101 CCNC(=O)COC(C)CCCCl 34a_200000718107_100000183381 [0,1,0,0,0,1|2,0,0]=4 4089 B12R0.101 CCNC(=O)COC(C)CCCCl 7a_200000718107_100000183381 [0,1,0,0,0,1|2,0,0]=4 4090 B12R0.101 CCNC(=O)COC(C)COCC 34a_100000718985_100000183381 [0,1,0,0,0,1|2,0,0]=4 4091 B12R0.101 CCNC(=O)COC(C)COCC 7a_100000718985_100000183381 [0,1,0,0,0,1|2,0,0]=4 4092 B12R0.101 CCNC(=O)NCC(O)COCC 2708a_100015525214_102515437182 [0,1,0,0,0,1|1,0,0]=3 4093 B12R0.101 CCNC(=O)NCC(O)COCC 273464a_100015525214_102515437182 [0,1,0,0,0,1|1,0,0]=3 4094 B12R0.101 CCNC(=O)NCC(O)COCC 273464a_102515437182_100015525214 [0,1,0,0,0,1|1,0,0]=3 4095 B12R0.101 CCNC(=O)NCC(O)COCC 512a_102515437182_100015525214 [0,1,0,0,0,1|1,0,0]=3 4096 B12R0.101 CCNC(=O)NC[C@H](C)CCCO 2708a_100015525214_100160569302 [0,1,0,0,0,1|2,0,0]=4 4097 B12R0.101 CCNC(=O)NC[C@H](C)CCCO 273464a_100015525214_100160569302 [0,1,0,0,0,1|2,0,0]=4 4098 B12R0.101 CCNC(=O)NC[C@H](C)CCCO 273464a_100160569302_100015525214 [0,1,0,0,0,1|2,0,0]=4 4099 B12R0.101 CCNC(=O)NC[C@H](C)CCCO 512a_100015525214_100160569302 [0,1,0,0,0,1|2,0,0]=4 4100 B12R0.101 CCNC(=O)NC[C@H](C)CCCO 512a_100160569302_100015525214 [0,1,0,0,0,1|2,0,0]=4 4101 B12R0.101 CCNCC(=O)NCC(=O)OCC 2230a_100015525214_100011215850 [0,1,0,0,0,1|0,0,2]=4 4102 B12R0.101 CCNNC(=O)NCC(O)COC 273464a_100000756049_100000756455 [0,1,0,0,0,1|2,0,0]=4 4103 B12R0.101 CCNNC(=O)NCC(O)COC 512a_100000756049_100000756455 [0,1,0,0,0,1|2,0,0]=4 4104 B12R0.101 CCNNC(=O)NCC(O)COC 512a_100000756455_100000756049 [0,1,0,0,0,1|2,0,0]=4 4105 B12R0.101 CCOC(=O)CCC(=O)CCCF 1458a_100000183558_100011934791 [0,1,0,0,0,1|0,0,2]=4 4106 B12R0.101 CCOC(=O)CCC(=O)CCCO 1458a_100000183558_100011215043 [0,1,0,0,0,1|0,0,2]=4 4107 B12R0.101 CCOC(=O)CCC(=O)CCOC 1458a_100000183558_100000233755 [0,1,0,0,0,1|0,0,2]=4 4108 B12R0.101 CCOC(=O)CCC(=O)CCSC 1458a_100000183558_100000751147 [0,1,0,0,0,1|0,0,2]=4 4109 B12R0.101 CCOC(=O)CCC(C)NCCF 34a_100000724931_100000748298 [0,1,0,0,0,1|2,0,0]=4 4110 B12R0.101 CCOC(=O)CCC(C)NCCO 2230a_100016997473_100000748298 [0,1,0,0,0,1|2,0,0]=4 4111 B12R0.101 CCOC(=O)CCC(C)NCCO 34a_100016990907_100000748298 [0,1,0,0,0,1|2,0,0]=4 4112 B12R0.101 CCOC(=O)CCC(C)OCCBr 34a_100000211926_100000748298 [0,1,0,0,0,1|2,0,0]=4 4113 B12R0.101 CCOC(=O)CCC(C)OCCN 34a_100000210304_100000748298 [0,1,0,0,0,1|2,0,0]=4 4114 B12R0.101 CCOC(=O)CCC(C)SCCF 62a_100000748298_100011217306 [0,1,0,0,0,1|2,0,0]=4 4115 B12R0.101 CCOC(=O)CCC(C)SCCF 62a_100011217306_100000748298 [0,1,0,0,0,1|2,0,0]=4 4116 B12R0.101 CCOC(=O)CCC(C)SCCO 62a_100000211926_100000748298 [0,1,0,0,0,1|2,0,0]=4 4117 B12R0.101 CCOC(=O)CCC(C)SCCO 62a_100000748298_100000211926 [0,1,0,0,0,1|2,0,0]=4 4118 B12R0.101 CCOC(=O)CCC(C)SCOC 62a_100000748298_100000766300 [0,1,0,0,0,1|2,0,0]=4 4119 B12R0.101 CCOC(=O)CCC(C)SCOC 62a_100000766300_100000748298 [0,1,0,0,0,1|2,0,0]=4 4120 B12R0.101 CCOC(=O)CCC(C)SCSC 62a_100000748298_100011218213 [0,1,0,0,0,1|2,0,0]=4 4121 B12R0.101 CCOC(=O)CCC(C)SCSC 62a_100011218213_100000748298 [0,1,0,0,0,1|2,0,0]=4 4122 B12R0.101 CCOC(=O)CCN(C)CCCF 2230a_100000745921_100011934791 [0,1,0,0,0,1|2,0,0]=4 4123 B12R0.101 CCOC(=O)CCN(C)CCCF 269982a_100000745921_100011934791 [0,1,0,0,0,1|2,0,0]=4 4124 B12R0.101 CCOC(=O)CCN(C)CCCO 2230a_100000213112_100011206558 [0,1,0,0,0,1|2,0,0]=4 4125 B12R0.101 CCOC(=O)CCN(C)CCCO 2230a_100000745921_100000230001 [0,1,0,0,0,1|2,0,0]=4 4126 B12R0.101 CCOC(=O)CCN(C)CCCO 269982a_100000213112_100011206558 [0,1,0,0,0,1|2,0,0]=4 4127 B12R0.101 CCOC(=O)CCN(C)CCCO 269982a_100000745921_100011215043 [0,1,0,0,0,1|2,0,0]=4 4128 B12R0.101 CCOC(=O)CCN(C)CCOC 2230a_100000743101_100011206558 [0,1,0,0,0,1|2,0,0]=4 4129 B12R0.101 CCOC(=O)CCN(C)CCOC 2230a_100000745921_100011201679 [0,1,0,0,0,1|2,0,0]=4 4130 B12R0.101 CCOC(=O)CCN(C)CCOC 269982a_100000743101_100011206558 [0,1,0,0,0,1|2,0,0]=4 4131 B12R0.101 CCOC(=O)CCN(C)CCOC 269982a_100000745921_100000233755 [0,1,0,0,0,1|2,0,0]=4 4132 B12R0.101 CCOC(=O)CCN(C)CCSC 2230a_100000686725_100011206558 [0,1,0,0,0,1|2,0,0]=4 4133 B12R0.101 CCOC(=O)CCN(C)CCSC 2230a_100000745921_100000751147 [0,1,0,0,0,1|2,0,0]=4 4134 B12R0.101 CCOC(=O)CCN(C)CCSC 269982a_100000686725_100011206558 [0,1,0,0,0,1|2,0,0]=4 4135 B12R0.101 CCOC(=O)CCN(C)CCSC 269982a_100000745921_100000212216 [0,1,0,0,0,1|2,0,0]=4 4136 B12R0.101 CCOC(=O)CNC(=O)CCOC 188690a_100000741813_100000749529 [0,1,0,0,0,1|0,0,2]=4 4137 B12R0.101 CCOC(=O)CNC(=O)CCSC 188690a_100000741813_100000174002 [0,1,0,0,0,1|0,0,2]=4 4138 B12R0.101 CCOC(=O)CNC(=O)CSCC 188690a_100000741813_100000230394 [0,1,0,0,0,1|0,0,2]=4 4139 B12R0.101 CCOC(=O)CNC(=O)CSCC 62a_100000210202_100011215850 [0,1,0,0,0,1|0,0,2]=4 4140 B12R0.101 CCOC(=O)CNC(=O)CSCC 62a_100011215850_100000210202 [0,1,0,0,0,1|0,0,2]=4 4141 B12R0.101 CCOC(=O)COC(C)CCCCl 34a_200000718107_100000188475 [0,1,0,0,0,1|1,0,0]=3 4142 B12R0.101 CCOC(=O)COC(C)CCCCl 7a_200000718107_100000188475 [0,1,0,0,0,1|1,0,0]=3 4143 B12R0.101 CCOC(=O)NCC(=O)CCCF 1458a_100000190774_100011934791 [0,1,0,0,0,1|0,0,2]=4 4144 B12R0.101 CCOC(=O)NCC(=O)CCCO 1458a_100000190774_100011215043 [0,1,0,0,0,1|0,0,2]=4 4145 B12R0.101 CCOC(=O)NCC(=O)CCOC 1458a_100000190774_100000233755 [0,1,0,0,0,1|0,0,2]=4 4146 B12R0.101 CCOC(=O)NCC(=O)CCSC 1458a_100000190774_100000751147 [0,1,0,0,0,1|0,0,2]=4 4147 B12R0.101 CCOCC(=O)NCC(=O)OCC 188690a_100000741813_100000211967 [0,1,0,0,0,1|0,0,2]=4 4148 B12R0.101 CCOCC(=O)NCC(=O)OCC 34a_100121572206_100011215850 [0,1,0,0,0,1|0,0,2]=4 4149 B12R0.101 CCOCC(=O)NCC(O)COC 240690a_100000756049_100000211967 [0,1,0,0,0,1|1,0,0]=3 4150 B12R0.101 CCOCC(=O)NCC(O)COC 527a_100000756049_100000211967 [0,1,0,0,0,1|1,0,0]=3 4151 B12R0.101 CCOCC(C)OCC(=O)OCC 34a_100000718985_100000188475 [0,1,0,0,0,1|1,0,0]=3 4152 B12R0.101 CCOCC(C)OCC(=O)OCC 7a_100000718985_100000188475 [0,1,0,0,0,1|1,0,0]=3 4153 B12R0.101 CCOCC(O)CNC(=O)CCO 240690a_102515437182_100011216618 [0,1,0,0,0,1|2,0,0]=4 4154 B12R0.101 CCOCC(O)CNC(=O)COC 240690a_102515437182_100000210968 [0,1,0,0,0,1|2,0,0]=4 4155 B12R0.101 CCOCC(O)CNC(=O)COC 527a_102515437182_100000210968 [0,1,0,0,0,1|2,0,0]=4 4156 B12R0.101 CCOCC(O)CNC(=O)CSC 240690a_102515437182_100000184570 [0,1,0,0,0,1|2,0,0]=4 4157 B12R0.101 CCOCC(O)CNC(=O)CSC 527a_102515437182_100000184570 [0,1,0,0,0,1|2,0,0]=4 4158 B12R0.101 CCOCC(O)CNC(=O)NNC 273464a_102515437182_100016993582 [0,1,0,0,0,1|2,0,0]=4 4159 B12R0.101 CCOCC(O)CNC(=O)NNC 512a_102515437182_100016993582 [0,1,0,0,0,1|2,0,0]=4 4160 B12R0.101 CCOCN(C)CCC(=O)OCC 269982a_100000745921_100000739092 [0,1,0,0,0,1|2,0,0]=4 4161 B12R0.101 CCSCC(=O)NCC(O)COC 240690a_100000756049_100000230394 [0,1,0,0,0,1|1,1,0]=4 4162 B12R0.101 CCSCC(=O)NCC(O)COC 527a_100000756049_100000230394 [0,1,0,0,0,1|1,1,0]=4 4163 B12R0.101 COCC(O)CNC(=O)CCSC 240690a_100000756049_100000174002 [0,1,0,0,0,1|2,0,0]=4 4164 B12R0.101 COCC(O)CNC(=O)CCSC 527a_100000756049_100000174002 [0,1,0,0,0,1|2,0,0]=4 4165 B12R0.101 COCC(O)CNC(=O)NCCF 273464a_100000724931_100000756049 [0,1,0,0,0,1|2,0,0]=4 4166 B12R0.101 COCC(O)CNC(=O)NCCF 273464a_100000756049_100000724931 [0,1,0,0,0,1|2,0,0]=4 4167 B12R0.101 COCC(O)CNC(=O)NCCF 512a_100000756049_100000724931 [0,1,0,0,0,1|2,0,0]=4 4168 B12R0.101 COCC(O)CNC(=O)NCCO 273464a_100000210304_100000756049 [0,1,0,0,0,1|2,0,0]=4 4169 B12R0.101 COCC(O)CNC(=O)NCCO 273464a_100000756049_100000210304 [0,1,0,0,0,1|2,0,0]=4 4170 B12R0.101 COCC(O)CNC(=O)NCCO 512a_100000756049_100000210304 [0,1,0,0,0,1|2,0,0]=4 4171 B12R0.101 COCCC(=O)NCC(O)COC 240690a_100000756049_100000749529 [0,1,0,0,0,1|2,0,0]=4 4172 B12R0.101 COCCC(=O)NCC(O)COC 527a_100000756049_100000749529 [0,1,0,0,0,1|2,0,0]=4 4173 B12R0.272 CC(C)OC(=O)CN[C@H](C)CCO 2230a_100000706166_100011215430 [0,1,0,0,0,1|2,0,0]=4 4174 B12R0.272 CC(C)OC(=O)CN[C@H](C)CCO 34a_100000706166_100011215430 [0,1,0,0,0,1|2,0,0]=4 4175 B12R0.272 CC(C)OC(=O)COC(C)CCBr 34a_100012276601_100011215430 [0,1,0,0,0,1|2,0,0]=4 4176 B12R0.272 CC(C)OC(=O)CSC(C)CCO 62a_100009893172_100011215430 [0,1,0,0,0,1|2,0,0]=4 4177 B12R0.272 CC(C)OC(=O)CSC(C)CCO 62a_100011215430_100009893172 [0,1,0,0,0,1|2,0,0]=4 4178 B12R0.272 CCCC(=O)CCC(=O)OC(C)C 1458a_100000211992_100000760027 [0,1,0,0,0,1|0,0,2]=4 4179 B12R0.272 CCCC(=O)CNC(C)CC(C)C 2230a_100000692259_100000747444 [0,1,0,0,0,1|2,0,0]=4 4180 B12R0.272 CCCC(=O)COC(=O)OC(C)C 1458a_100000211992_100000003507 [0,1,0,0,0,1|0,0,2]=4 4181 B12R0.272 CCCC(=O)COC(C)CC(C)C 7a_100000211805_100000747444 [0,1,0,0,0,1|2,0,0]=4 4182 B12R0.272 CCCC(=O)CSC(C)CC(C)C 62a_100000731052_100000747444 [0,1,0,0,0,1|2,0,0]=4 4183 B12R0.272 CCCC(=O)CSC(C)CC(C)C 62a_100000747444_100000731052 [0,1,0,0,0,1|2,0,0]=4 4184 B12R0.272 CCCC(=O)NCC(O)CN(C)C 240690a_100000737402_100000211992 [0,1,0,0,0,1|2,0,0]=4 4185 B12R0.272 CCCC(=O)NCC(O)CN(C)C 527a_100000737402_100000211992 [0,1,0,0,0,1|2,0,0]=4 4186 B12R0.272 CCCC(C)NCC(=O)NC(C)C 2230a_100000168517_100000766640 [0,1,0,0,0,1|2,0,0]=4 4187 B12R0.272 CCCC(C)NCC(=O)NC(C)C 2230a_100000741246_100000183996 [0,1,0,0,0,1|2,0,0]=4 4188 B12R0.272 CCCC(C)NCC(=O)NC(C)C 270004a_100000168517_100000211909 [0,1,0,0,0,1|2,0,0]=4 4189 B12R0.272 CCCC(C)NCC(=O)OC(C)C 2230a_100000741246_100011215430 [0,1,0,0,0,1|1,0,0]=3 4190 B12R0.272 CCCC(C)OCC(=O)NC(C)C 34a_100000764384_100000183996 [0,1,0,0,0,1|2,0,0]=4 4191 B12R0.272 CCCC(C)OCC(=O)NC(C)C 7a_100000764384_100000183996 [0,1,0,0,0,1|2,0,0]=4 4192 B12R0.272 CCCC(C)OCC(=O)OC(C)C 34a_100000764384_100011215430 [0,1,0,0,0,1|1,0,0]=3 4193 B12R0.272 CCCC(C)OCC(=O)OC(C)C 7a_100000764384_100011215430 [0,1,0,0,0,1|1,0,0]=3 4194 B12R0.272 CCCC(C)SCC(=O)NC(C)C 62a_100000183996_100000766640 [0,1,0,0,0,1|2,0,0]=4 4195 B12R0.272 CCCC(C)SCC(=O)NC(C)C 62a_100000766640_100000183996 [0,1,0,0,0,1|2,0,0]=4 4196 B12R0.272 CCCC(C)SCC(=O)OC(C)C 62a_100000766640_100011215430 [0,1,0,0,0,1|1,0,0]=3 4197 B12R0.272 CCCC(C)SCC(=O)OC(C)C 62a_100011215430_100000766640 [0,1,0,0,0,1|1,0,0]=3 4198 B12R0.272 CCCN(C)CCC(=O)OC(C)C 2230a_100000747261_100000760027 [0,1,0,0,0,1|2,0,0]=4 4199 B12R0.272 CCCN(C)CCC(=O)OC(C)C 269982a_100000747261_100000760027 [0,1,0,0,0,1|2,0,0]=4 4200 B12R0.272 CCCN(C)COC(=O)OC(C)C 269982a_100000747261_100010125566 [0,1,0,0,0,1|2,0,0]=4 4201 B12R0.272 CCNC(=O)CNC(C)CC(C)C 2230a_100000692259_100000183381 [0,1,0,0,0,1|2,0,0]=4 4202 B12R0.272 CCNC(=O)CNC(C)CC(C)C 2230a_100016988866_100000731052 [0,1,0,0,0,1|2,0,0]=4 4203 B12R0.272 CCNC(=O)COC(C)CC(C)C 34a_100000211805_100000183381 [0,1,0,0,0,1|2,0,0]=4 4204 B12R0.272 CCNC(=O)COC(C)CC(C)C 7a_100000211805_100000183381 [0,1,0,0,0,1|2,0,0]=4 4205 B12R0.272 CCNC(=O)CSC(C)CC(C)C 62a_100000183381_100000731052 [0,1,0,0,0,1|2,0,0]=4 4206 B12R0.272 CCNC(=O)CSC(C)CC(C)C 62a_100000731052_100000183381 [0,1,0,0,0,1|2,0,0]=4 4207 B12R0.272 CCNC(=O)NCC(O)CN(C)C 2708a_100015525214_100000737402 [0,1,0,0,0,1|2,0,0]=4 4208 B12R0.272 CCNC(=O)NCC(O)CN(C)C 273464a_100000737402_100015525214 [0,1,0,0,0,1|2,0,0]=4 4209 B12R0.272 CCNC(=O)NCC(O)CN(C)C 273464a_100015525214_100000737402 [0,1,0,0,0,1|2,0,0]=4 4210 B12R0.272 CCOC(=O)CCC(=O)CC(C)C 1458a_100000183558_100000210624 [0,1,0,0,0,1|0,0,2]=4 4211 B12R0.272 CCOC(=O)CCC(=O)CC(C)O 1458a_100000183558_100011218427 [0,1,0,0,0,1|0,0,2]=4 4212 B12R0.272 CCOC(=O)CCC(C)NC(C)C 2230a_100138425928_100000748298 [0,1,0,0,0,1|2,0,0]=4 4213 B12R0.272 CCOC(=O)CCC(C)NC(C)C 34a_100138425928_100000748298 [0,1,0,0,0,1|2,0,0]=4 4214 B12R0.272 CCOC(=O)CCC(C)OC(C)C 34a_100000212225_100000748298 [0,1,0,0,0,1|2,0,0]=4 4215 B12R0.272 CCOC(=O)CCC(C)SC(C)C 62a_100000210206_100000748298 [0,1,0,0,0,1|2,0,0]=4 4216 B12R0.272 CCOC(=O)CCC(C)SC(C)C 62a_100000748298_100000210206 [0,1,0,0,0,1|2,0,0]=4 4217 B12R0.272 CCOC(=O)CCN(C)CC(C)C 2230a_100000745921_100000210760 [0,1,0,0,0,1|2,0,0]=4 4218 B12R0.272 CCOC(=O)CCN(C)CC(C)C 2230a_100000747067_100011206558 [0,1,0,0,0,1|2,0,0]=4 4219 B12R0.272 CCOC(=O)CCN(C)CC(C)C 269982a_100000745921_100000210624 [0,1,0,0,0,1|2,0,0]=4 4220 B12R0.272 CCOC(=O)CCN(C)CC(C)C 269982a_100000747067_100011206558 [0,1,0,0,0,1|2,0,0]=4 4221 B12R0.272 CCOC(=O)CCN(C)CC(C)O 2230a_100000227577_100011206558 [0,1,0,0,0,1|2,0,0]=4 4222 B12R0.272 CCOC(=O)CCN(C)CC(C)O 2230a_100000745921_100011218427 [0,1,0,0,0,1|2,0,0]=4 4223 B12R0.272 CCOC(=O)CCN(C)CC(C)O 269982a_100000227577_100011206558 [0,1,0,0,0,1|2,0,0]=4 4224 B12R0.272 CCOC(=O)CCN(C)CC(C)O 269982a_100000745921_100011218427 [0,1,0,0,0,1|2,0,0]=4 4225 B12R0.272 CCOC(=O)CCN(C)C[C@@H](C)O 2230a_100000745921_100009817552 [0,1,0,0,0,1|2,0,0]=4 4226 B12R0.272 CCOC(=O)CCN(C)C[C@@H](C)O 269982a_100000745921_100009817552 [0,1,0,0,0,1|2,0,0]=4 4227 B12R0.272 CCOC(=O)CNC(=O)CC(C)C 188690a_100000741813_100000210554 [0,1,0,0,0,1|0,0,2]=4 4228 B12R0.272 CCOC(=O)CNC(=O)C[C@@H](C)O 188690a_100000741813_100011933948 [0,1,0,0,0,1|0,0,2]=4 4229 B12R0.272 CCOC(=O)CNC(C)CC(C)C 2230a_100000692259_100000188475 [0,1,0,0,0,1|1,0,0]=3 4230 B12R0.272 CCOC(=O)COC(C)CC(C)C 34a_100000211805_100000188475 [0,1,0,0,0,1|1,0,0]=3 4231 B12R0.272 CCOC(=O)COC(C)CC(C)C 7a_100000211805_100000188475 [0,1,0,0,0,1|1,0,0]=3 4232 B12R0.272 CCOC(=O)CSC(C)CC(C)C 62a_100000188475_100000731052 [0,1,0,0,0,1|1,0,0]=3 4233 B12R0.272 CCOC(=O)CSC(C)CC(C)C 62a_100000731052_100000188475 [0,1,0,0,0,1|1,0,0]=3 4234 B12R0.272 CCOC(=O)CSC(C)CN(C)C 62a_100000188475_100020606517 [0,1,0,0,0,1|2,0,0]=4 4235 B12R0.272 CCOC(=O)CSC(C)CN(C)C 62a_100020606517_100000188475 [0,1,0,0,0,1|2,0,0]=4 4236 B12R0.272 CCOC(=O)NCC(=O)CC(C)C 1458a_100000190774_100000210624 [0,1,0,0,0,1|0,0,2]=4 4237 B12R0.272 CCOC(=O)NCC(=O)CC(C)O 1458a_100000190774_100011218427 [0,1,0,0,0,1|0,0,2]=4 4238 B12R0.272 COCC(C)SCC(=O)OC(C)C 62a_100000765312_100011215430 [0,1,0,0,0,1|2,0,0]=4 4239 B12R0.272 COCC(C)SCC(=O)OC(C)C 62a_100011215430_100000765312 [0,1,0,0,0,1|2,0,0]=4 4240 B12R0.272 COCC(O)CNC(=O)CC(C)C 240690a_100000756049_100000210554 [0,1,0,0,0,1|2,0,0]=4 4241 B12R0.272 COCC(O)CNC(=O)CC(C)C 527a_100000756049_100000210554 [0,1,0,0,0,1|2,0,0]=4 4242 B12R0.272 COCC(O)CNC(=O)C[C@@H](C)O 240690a_100000756049_100011933948 [0,1,0,0,0,1|2,0,0]=4 4243 B12R0.272 COCC(O)CNC(=O)NC(C)C 2708a_100138425928_100000756049 [0,1,0,0,0,1|2,0,0]=4 4244 B12R0.272 COCC(O)CNC(=O)NC(C)C 273464a_100138425928_100000756049 [0,1,0,0,0,1|2,0,0]=4 4245 B12R0.272 COCC(O)CNC(=O)NC(C)C 512a_100000756049_100138425928 [0,1,0,0,0,1|2,0,0]=4 4246 B12R0.272 COCC(O)CNC(=O)NC(C)C 512a_100138425928_100000756049 [0,1,0,0,0,1|2,0,0]=4 4247 B12R0.272 COC[C@@H](C)NCC(=O)OC(C)C 2230a_100000764878_100011215430 [0,1,0,0,0,1|2,0,0]=4 4248 B12R0.272 COC[C@@H](C)OCC(=O)OC(C)C 34a_100011934205_100011215430 [0,1,0,0,0,1|2,0,0]=4 4249 B12R0.445 CCCC(=O)COC(C)(C)CCC 7a_100000748436_100000747444 [0,1,0,0,0,1|2,0,0]=4 4250 B12R0.445 CCCC(C)(C)OCC(=O)NCC 7a_100000748436_100000183381 [0,1,0,0,0,1|2,0,0]=4 4251 B12R0.445 CCCC(C)(C)OCC(=O)OCC 7a_100000748436_100000188475 [0,1,0,0,0,1|1,0,0]=3 4252 B12R0.445 CCOC(=O)CNC(C)(C)COC 2230a_100000752728_100000188475 [0,1,0,0,0,1|2,0,0]=4 4253 B12R0.445 CCOC(=O)CNC(C)(C)CSC 2230a_100000759623_100000188475 [0,1,0,0,0,1|2,0,0]=4 4254 B12R0.445 CCOC(=O)CNC(C)(C)CSC 7a_100000759623_100000188475 [0,1,0,0,0,1|2,0,0]=4 4255 B12R0.445 CCOC(=O)COC(C)(C)CCBr 7a_100000702414_100000188475 [0,1,0,0,0,1|2,0,0]=4 4256 B12R0.2 CC(C)OC(=O)CN(C)CCCO 2230a_100000213112_100011215430 [0,2,0,0,0,0|2,0,0]=4 4257 B12R0.2 CC(C)OC(=O)CN(C)CCCO 269982a_100000213112_100011215430 [0,2,0,0,0,0|2,0,0]=4 4258 B12R0.2 CCCCC(=O)CC(=O)OC(C)C 1458a_100000210183_100011215430 [0,2,0,0,0,0|0,0,2]=4 4259 B12R0.2 CCCCN(C)CC(=O)OC(C)C 2230a_100000207549_100011215430 [0,2,0,0,0,0|2,0,0]=4 4260 B12R0.2 CCCCN(C)CC(=O)OC(C)C 269982a_100000207549_100011215430 [0,2,0,0,0,0|2,0,0]=4 4261 B12R0.2 CCCOC(=O)CC(=O)CC(C)C 1458a_100000210554_200011215008 [0,2,0,0,0,0|0,0,2]=4 4262 B12R0.2 CCCOC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_200011215008 [0,2,0,0,0,0|0,0,2]=4 4263 B12R0.2 CCCOC(=O)CN(C)CC(C)C 2230a_100000747067_200011215008 [0,2,0,0,0,0|2,0,0]=4 4264 B12R0.2 CCCOC(=O)CN(C)CC(C)C 269982a_100000747067_200011215008 [0,2,0,0,0,0|2,0,0]=4 4265 B12R0.2 CCCOC(=O)CN(C)CC(C)O 2230a_100000227577_200011215008 [0,2,0,0,0,0|2,0,0]=4 4266 B12R0.2 CCCOC(=O)CN(C)CC(C)O 269982a_100000227577_200011215008 [0,2,0,0,0,0|2,0,0]=4 4267 B12R0.2 CCCSC(C)OC(=O)OC(C)C 62a_100000067433_100000210303 [0,2,0,0,0,0|2,0,0]=4 4268 B12R0.2 CCCSC(C)OC(=O)OC(C)C 62a_100000210303_100000067433 [0,2,0,0,0,0|2,0,0]=4 4269 B12R0.2 CCOCC(=O)CC(=O)OC(C)C 1458a_100000211967_100011215430 [0,2,0,0,0,0|0,0,2]=4 4270 B12R0.2 CCOCC(=O)NC(C)CC(C)C 11a_100000692259_100000211967 [0,2,0,0,0,0|2,0,0]=4 4271 B12R0.2 CCOCC(=O)NC(C)CC(C)C 1626a_100000692259_100000211967 [0,2,0,0,0,0|2,0,0]=4 4272 B12R0.2 CCOCC(=O)NC(C)CC(C)C 240690a_100000692259_100000211967 [0,2,0,0,0,0|2,0,0]=4 4273 B12R0.2 CCOCC(=O)NC(C)CC(C)C 527a_100000692259_100000211967 [0,2,0,0,0,0|2,0,0]=4 4274 B12R0.2 CCSCC(=O)CC(=O)OC(C)C 1458a_100000230394_100011215430 [0,2,0,0,0,0|0,0,2]=4 4275 B12R0.2 COCCC(=O)CC(=O)OC(C)C 1458a_100000749529_100011215430 [0,2,0,0,0,0|0,0,2]=4 4276 B12R0.2 COCCN(C)CC(=O)OC(C)C 2230a_100000743101_100011215430 [0,2,0,0,0,0|2,0,0]=4 4277 B12R0.2 COCCN(C)CC(=O)OC(C)C 269982a_100000743101_100011215430 [0,2,0,0,0,0|2,0,0]=4 4278 B12R0.2 CSCCC(=O)CC(=O)OC(C)C 1458a_100000174002_100011215430 [0,2,0,0,0,0|0,0,2]=4 4279 B12R0.2 CSCCN(C)CC(=O)OC(C)C 2230a_100000686725_100011215430 [0,2,0,0,0,0|2,0,0]=4 4280 B12R0.2 CSCCN(C)CC(=O)OC(C)C 269982a_100000686725_100011215430 [0,2,0,0,0,0|2,0,0]=4 4281 B12R0.3 CC(C)CC(=O)CC(=O)OC(C)C 1458a_100000210554_100011215430 [0,2,0,0,0,0|0,0,2]=4 4282 B12R0.3 CC(C)CN(C)CC(=O)OC(C)C 2230a_100000747067_100011215430 [0,2,0,0,0,0|2,0,0]=4 4283 B12R0.3 CC(C)CN(C)CC(=O)OC(C)C 269982a_100000747067_100011215430 [0,2,0,0,0,0|2,0,0]=4 4284 B12R0.3 CC(C)OC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011215430 [0,2,0,0,0,0|0,0,2]=4 4285 B12R0.3 CC(O)CN(C)CC(=O)OC(C)C 2230a_100000227577_100011215430 [0,2,0,0,0,0|2,0,0]=4 4286 B12R0.3 CC(O)CN(C)CC(=O)OC(C)C 269982a_100000227577_100011215430 [0,2,0,0,0,0|2,0,0]=4 4287 B12R0.18 CCCC(=O)N[C@H](CO)CC(C)C 240690a_100011830311_100000211992 [0,2,0,0,0,0|2,0,0]=4 4288 B12R0.18 CCCC(=O)N[C@H](CO)CC(C)C 527a_100011830311_100000211992 [0,2,0,0,0,0|2,0,0]=4 4289 B12R0.18 CCNC(=O)N[C@H](CO)CC(C)C 2708a_100015525214_100011830311 [0,2,0,0,0,0|2,0,0]=4 4290 B12R0.18 CCNC(=O)N[C@H](CO)CC(C)C 273464a_100011830311_100015525214 [0,2,0,0,0,0|2,0,0]=4 4291 B12R0.18 CCNC(=O)N[C@H](CO)CC(C)C 273464a_100015525214_100011830311 [0,2,0,0,0,0|2,0,0]=4 4292 B12R0.18 CCNC(=O)N[C@H](CO)CC(C)C 512a_100011830311_100015525214 [0,2,0,0,0,0|2,0,0]=4 4293 B12R0.18 CCNC(=O)N[C@H](CO)CC(C)C 512a_100015525214_100011830311 [0,2,0,0,0,0|2,0,0]=4 4294 B12R0.18 CCOC(=O)CN(CC)CC(C)C 2230a_100000220607_100000210760 [0,2,0,0,0,0|2,0,0]=4 4295 B12R0.18 CCOC(=O)CN(CC)CC(C)C 2230a_100000738554_100000188475 [0,2,0,0,0,0|2,0,0]=4 4296 B12R0.18 CCOC(=O)CN(CC)CC(C)C 269982a_100000220607_100000210624 [0,2,0,0,0,0|2,0,0]=4 4297 B12R0.18 CCOC(=O)CN(CC)CC(C)C 269982a_100000738554_100000188475 [0,2,0,0,0,0|2,0,0]=4 4298 B12R0.18 CCOC(=O)CN(CC)CC(C)C 270004a_100000220607_100000210432 [0,2,0,0,0,0|2,0,0]=4 4299 B12R0.18 CCOC(=O)CN(CC)CC(C)O 2230a_100000220607_100011218427 [0,2,0,0,0,0|2,0,0]=4 4300 B12R0.18 CCOC(=O)CN(CC)CC(C)O 269982a_100000220607_100011218427 [0,2,0,0,0,0|2,0,0]=4 4301 B12R0.18 CCOC(=O)CN(CC)C[C@@H](C)O 2230a_100000220607_100009817552 [0,2,0,0,0,0|2,0,0]=4 4302 B12R0.18 CCOC(=O)CN(CC)C[C@@H](C)O 269982a_100000220607_100009817552 [0,2,0,0,0,0|2,0,0]=4 4303 B12R0.18 CCOC(=O)CN(CC)C[C@H](C)O 2230a_100000729506_100000188475 [0,2,0,0,0,0|2,0,0]=4 4304 B12R0.18 CCOC(=O)CN(CC)C[C@H](C)O 269982a_100000729506_100000188475 [0,2,0,0,0,0|2,0,0]=4 4305 B12R0.18 CCOC(=O)C[C@@H](CCl)OC(C)C 7a_100000688340_100000210206 [0,2,0,0,0,0|2,0,0]=4 4306 B12R0.20 CCCC(C)CC(=O)C(C)C(C)C 1458a_100000755409_100011216630 [0,2,0,0,0,0|2,0,0]=4 4307 B12R0.20 CCCC(C)CC(=O)N(C)C(C)C 11a_200000211004_100000748435 [0,2,0,0,0,0|2,0,0]=4 4308 B12R0.20 CCCC(C)CC(=O)N(C)C(C)C 1626a_200000211004_100000748435 [0,2,0,0,0,0|2,0,0]=4 4309 B12R0.20 CCCC(C)CC(=O)N(C)C(C)C 240690a_200000211004_100000748435 [0,2,0,0,0,0|2,0,0]=4 4310 B12R0.20 CCCC(C)CC(=O)N(C)C(C)C 527a_200000211004_100000748435 [0,2,0,0,0,0|2,0,0]=4 4311 B12R0.20 CCCC(C)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100011216630 [0,2,0,0,0,0|2,0,0]=4 4312 B12R0.20 CCOC(=O)CC(=O)C(C)C(C)C 1458a_100000755409_100000188475 [0,2,0,0,0,0|0,0,2]=4 4313 B12R0.20 CCOC(=O)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100000188475 [0,2,0,0,0,0|0,0,2]=4 4314 B12R0.20 CCOC(=O)CC(C)C(=O)C(C)C 1458a_100000210198_100009817359 [0,2,0,0,0,0|1,0,1]=4 4315 B12R0.20 CCOC(=O)CC(C)C(=O)C(C)F 1458a_100000062450_100009817359 [0,2,0,0,0,0|1,0,1]=4 4316 B12R0.20 CCOC(=O)CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100009817359 [0,2,0,0,0,0|1,0,1]=4 4317 B12R0.20 CCOC(=O)CC(C)C(=O)[C@H](C)O 1458a_217856618621_100009817359 [0,2,0,0,0,0|1,0,1]=4 4318 B12R0.20 CCOC(=O)CC(C)N(C)C(C)C 269982a_200000211004_100009817359 [0,2,0,0,0,0|2,0,0]=4 4319 B12R0.20 CCOC(=O)CN(C)C(C)C(C)C 2230a_100000228512_100000188475 [0,2,0,0,0,0|2,0,0]=4 4320 B12R0.20 CCOC(=O)CN(C)C(C)C(C)C 269982a_100000228512_100000188475 [0,2,0,0,0,0|2,0,0]=4 4321 B12R0.68 C#CC(C)NC(=O)CC(C)CCC 11a_100000707721_100000748435 [0,2,0,0,0,0|2,0,0]=4 4322 B12R0.68 C#CC(C)NC(=O)CC(C)CCC 1626a_100000707721_100000748435 [0,2,0,0,0,0|2,0,0]=4 4323 B12R0.68 C#CC(C)NC(=O)CC(C)CCC 240690a_100000707721_100000748435 [0,2,0,0,0,0|2,0,0]=4 4324 B12R0.68 C#CC(C)NC(=O)CC(C)CCC 527a_100000707721_100000748435 [0,2,0,0,0,0|2,0,0]=4 4325 B12R0.68 C#CC(C)NC(C)CC(=O)OCC 2230a_100000707721_100009817359 [0,2,0,0,0,0|2,0,0]=4 4326 B12R0.68 C#CC(C)SC(C)CC(=O)OCC 62a_200000035995_100009817359 [0,2,0,0,0,0|2,0,0]=4 4327 B12R0.68 C#C[C@@H](C)OC(C)CC(=O)OCC 7a_100009815206_100009817359 [0,2,0,0,0,0|2,0,0]=4 4328 B12R0.68 C=CC(C)CC(=O)CC(=O)OCC 1458a_100011934298_100000188475 [0,2,0,0,0,0|0,0,2]=4 4329 B12R0.68 C=CC(C)CC(=O)CC(C)CCC 1458a_100011934298_100011216630 [0,2,0,0,0,0|2,0,0]=4 4330 B12R0.68 C=CC(C)SC(C)CC(=O)OCC 62a_100011215867_100009817359 [0,2,0,0,0,0|2,0,0]=4 4331 B12R0.68 CCCC(C)CC(=O)C=C(C)CC 1458a_100020758463_100011216630 [0,2,0,0,0,0|2,0,0]=4 4332 B12R0.68 CCCC(C)CC(=O)CC(=O)CC 1458a_100000748435_100000747405 [0,2,0,0,0,0|2,0,0]=4 4333 B12R0.68 CCCC(C)CC(=O)CC(C)CC 1458a_100000708755_100011216630 [0,2,0,0,0,0|2,0,0]=4 4334 B12R0.68 CCCC(C)CC(=O)CC(C)CC 1458a_100000748435_100000748023 [0,2,0,0,0,0|2,0,0]=4 4335 B12R0.68 CCCC(C)CC(=O)CC(O)CC 1458a_100000748435_100011218378 [0,2,0,0,0,0|2,0,0]=4 4336 B12R0.68 CCCC(C)CC(=O)CC(O)CC 1458a_100011667805_100011216630 [0,2,0,0,0,0|2,0,0]=4 4337 B12R0.68 CCCC(C)CC(=O)CN(C)CC 1458a_100116209913_100011216630 [0,2,0,0,0,0|2,0,0]=4 4338 B12R0.68 CCCC(C)CC(=O)C[C@@H](C)CC 1458a_100000748435_100009816398 [0,2,0,0,0,0|2,0,0]=4 4339 B12R0.68 CCCC(C)CC(=O)C[C@@H](C)CO 1458a_100000748435_100000059175 [0,2,0,0,0,0|2,0,0]=4 4340 B12R0.68 CCCC(C)CC(=O)NC(C)C#N 11a_100000737613_100000748435 [0,2,0,0,0,0|2,0,0]=4 4341 B12R0.68 CCCC(C)CC(=O)NC(C)C#N 1626a_100000737613_100000748435 [0,2,0,0,0,0|2,0,0]=4 4342 B12R0.68 CCCC(C)CC(=O)NC(C)C#N 527a_100000737613_100000748435 [0,2,0,0,0,0|2,0,0]=4 4343 B12R0.68 CCCC(C)CC(=O)NC(C)CC 11a_100000209981_100000748435 [0,2,0,0,0,0|2,0,0]=4 4344 B12R0.68 CCCC(C)CC(=O)NC(C)CC 1626a_100000209981_100000748435 [0,2,0,0,0,0|2,0,0]=4 4345 B12R0.68 CCCC(C)CC(=O)NC(C)CC 240690a_100000209981_100000748435 [0,2,0,0,0,0|2,0,0]=4 4346 B12R0.68 CCCC(C)CC(=O)NC(C)CC 527a_100000209981_100000748435 [0,2,0,0,0,0|2,0,0]=4 4347 B12R0.68 CCCC(C)CC(=O)N[C@H](C)CF 11a_100102880703_100000748435 [0,2,0,0,0,0|2,0,0]=4 4348 B12R0.68 CCCC(C)CC(=O)N[C@H](C)CF 1626a_100102880703_100000748435 [0,2,0,0,0,0|2,0,0]=4 4349 B12R0.68 CCCC(C)CC(=O)N[C@H](C)CF 240690a_100102880703_100000748435 [0,2,0,0,0,0|2,0,0]=4 4350 B12R0.68 CCCC(C)CC(=O)N[C@H](C)CF 527a_100102880703_100000748435 [0,2,0,0,0,0|2,0,0]=4 4351 B12R0.68 CCCC(C)CC(=O)N[C@H](C)CO 240690a_100000737577_100000748435 [0,2,0,0,0,0|2,0,0]=4 4352 B12R0.68 CCCC(C)CC(=O)N[C@H](C)CO 527a_100000737577_100000748435 [0,2,0,0,0,0|2,0,0]=4 4353 B12R0.68 CCOC(=O)CC(=O)CC(=O)CC 1458a_100000243816_100000747405 [0,2,0,0,0,0|0,0,2]=4 4354 B12R0.68 CCOC(=O)CC(=O)CC(C)CC 1458a_100000243816_100000748023 [0,2,0,0,0,0|0,0,2]=4 4355 B12R0.68 CCOC(=O)CC(=O)CC(C)CC 1458a_100000708755_100000188475 [0,2,0,0,0,0|0,0,2]=4 4356 B12R0.68 CCOC(=O)CC(=O)CC(O)CC 1458a_100000243816_100011218378 [0,2,0,0,0,0|0,0,2]=4 4357 B12R0.68 CCOC(=O)CC(=O)CC(O)CC 1458a_100011667805_100000188475 [0,2,0,0,0,0|0,0,2]=4 4358 B12R0.68 CCOC(=O)CC(=O)CN(C)CC 1458a_100116209913_100000188475 [0,2,0,0,0,0|0,0,2]=4 4359 B12R0.68 CCOC(=O)CC(=O)CN(C)CC 269982a_100000225621_100000210311 [0,2,0,0,0,0|0,0,2]=4 4360 B12R0.68 CCOC(=O)CC(=O)C[C@@H](C)CC 1458a_100000243816_100009816398 [0,2,0,0,0,0|0,0,2]=4 4361 B12R0.68 CCOC(=O)CC(=O)C[C@@H](C)CO 1458a_100000243816_100000059175 [0,2,0,0,0,0|0,0,2]=4 4362 B12R0.68 CCOC(=O)CC(=O)NC(C)CC 240690a_100000209981_100000243816 [0,2,0,0,0,0|0,0,2]=4 4363 B12R0.68 CCOC(=O)CC(C)NC(=O)CC 188690a_100000686176_100000210414 [0,2,0,0,0,0|1,0,1]=4 4364 B12R0.68 CCOC(=O)CC(C)NC(C)C#N 2230a_100000737613_100009817359 [0,2,0,0,0,0|2,0,0]=4 4365 B12R0.68 CCOC(=O)CC(C)NC(C)CC 2230a_100000209981_100009817359 [0,2,0,0,0,0|1,0,0]=3 4366 B12R0.68 CCOC(=O)CC(C)N[C@H](C)CO 2230a_100000737577_100009817359 [0,2,0,0,0,0|2,0,0]=4 4367 B12R0.68 CCOC(=O)CC(C)OC(C)CC 7a_100000210228_100009817359 [0,2,0,0,0,0|1,0,0]=3 4368 B12R0.68 CCOC(=O)CC(C)OC(C)CF 7a_100016041109_100009817359 [0,2,0,0,0,0|2,0,0]=4 4369 B12R0.68 CCOC(=O)CC(C)SC(C)C#N 62a_100000703298_100009817359 [0,2,0,0,0,0|2,0,0]=4 4370 B12R0.68 CCOC(=O)CC(C)SC(C)C#N 62a_100009817359_100000703298 [0,2,0,0,0,0|2,0,0]=4 4371 B12R0.68 CCOC(=O)CC(C)SC(C)CC 62a_100000758301_100009817359 [0,2,0,0,0,0|1,0,0]=3 4372 B12R0.68 CCOC(=O)CC(C)SC(C)CC 62a_100009817359_100000758301 [0,2,0,0,0,0|1,0,0]=3 4373 B12R0.68 CCOC(=O)CC(C)SC(C)CO 62a_100012180447_100009817359 [0,2,0,0,0,0|2,0,0]=4 4374 B12R0.68 CCOC(=O)CC(C)SC(C)OC 62a_100009817359_100009879195 [0,2,0,0,0,0|2,0,0]=4 4375 B12R0.68 CCOC(=O)CC(C)SC(C)OC 62a_100009879195_100009817359 [0,2,0,0,0,0|2,0,0]=4 4376 B12R0.68 CCOC(=O)CC(C)S[C@H](C)CO 62a_100009817359_100016084084 [0,2,0,0,0,0|2,0,0]=4 4377 B12R0.68 CCOC(=O)CC(C)S[C@H](C)CO 62a_100016084084_100009817359 [0,2,0,0,0,0|2,0,0]=4 4378 B12R0.68 CCOC(=O)CN(C)CC(C)CC 2230a_100000220588_100000748023 [0,2,0,0,0,0|2,0,0]=4 4379 B12R0.68 CCOC(=O)CN(C)CC(C)CC 2230a_100000753921_100000188475 [0,2,0,0,0,0|2,0,0]=4 4380 B12R0.68 CCOC(=O)CN(C)CC(C)CC 269982a_100000753921_100000188475 [0,2,0,0,0,0|2,0,0]=4 4381 B12R0.68 CCOC(=O)CN(C)CC(C)CC 270004a_100000220588_100000243153 [0,2,0,0,0,0|2,0,0]=4 4382 B12R0.68 CCOC(=O)CN(C)CC(O)CC 2230a_100000220588_100011218378 [0,2,0,0,0,0|2,0,0]=4 4383 B12R0.68 CCOC(=O)CN(C)CC(O)CO 2230a_100000220588_100011219619 [0,2,0,0,0,0|2,0,0]=4 4384 B12R0.68 CCOC(=O)CN(C)CC(O)CO 2230a_100011216503_100000188475 [0,2,0,0,0,0|2,0,0]=4 4385 B12R0.68 CCOC(=O)CN(C)CC(O)CO 269982a_100011216503_100000188475 [0,2,0,0,0,0|2,0,0]=4 4386 B12R0.68 CCOC(=O)CN(C)C[C@@H](C)CC 2230a_100000220588_100009816398 [0,2,0,0,0,0|2,0,0]=4 4387 B12R0.68 CCOC(=O)CN(C)C[C@@H](C)CO 2230a_100000220588_100000059175 [0,2,0,0,0,0|2,0,0]=4 4388 B12R0.68 CCOC(=O)CN(C)C[C@@H](O)CF 2230a_100000220588_100015614560 [0,2,0,0,0,0|2,0,0]=4 4389 B12R0.68 CCOC(=O)CN(C)C[C@@H](O)CO 2230a_100000220588_100009815848 [0,2,0,0,0,0|2,0,0]=4 4390 B12R0.68 CCOC(=O)C[C@@H](C)OC(C)C#N 7a_100009816390_100000703298 [0,2,0,0,0,0|2,0,0]=4 4391 B12R0.68 CCOC(=O)C[C@@H](C)OC(C)CC 7a_100009816390_100000758301 [0,2,0,0,0,0|1,0,0]=3 4392 B12R0.68 CCOC(=O)C[C@@H](C)OC(C)CO 7a_100009816390_100012180447 [0,2,0,0,0,0|2,0,0]=4 4393 B12R0.68 CCOC(=O)C[C@H](O)CN(C)CC 269982a_100000225621_100000688340 [0,2,0,0,0,0|0,0,0]=2 4394 B12R0.68 CCOC(=O)OC(C)SC(C)CC 62a_100000036008_100000758301 [0,2,0,0,0,0|2,0,0]=4 4395 B12R0.68 CCOC(=O)OC(C)SC(C)CC 62a_100000758301_100000036008 [0,2,0,0,0,0|2,0,0]=4 4396 B12R0.78 CCCC(=O)CC(=O)OC(C)(C)C 1458a_100000033093_100000210303 [0,2,0,0,0,0|0,0,2]=4 4397 B12R0.78 CCCC(=O)CC(=O)OC(C)(C)C 1458a_100000211992_100000183872 [0,2,0,0,0,0|0,0,2]=4 4398 B12R0.78 CCCC(=O)CC(C)CC(C)(C)C 1458a_100000239893_100000210303 [0,2,0,0,0,0|2,0,0]=4 4399 B12R0.78 CCCC(=O)CC(O)C[N+](C)(C)C 1458a_100000211992_100000032816 [0,2,0,0,0,0|2,0,0]=4 4400 B12R0.78 CCCC(=O)C[C@@H](O)C[N+](C)(C)C 1458a_100000004043_100000210303 [0,2,0,0,0,0|2,0,0]=4 4401 B12R0.78 CCCC(C)CC(=O)CC(C)(C)C 1458a_100000211214_100011216630 [0,2,0,0,0,0|2,0,0]=4 4402 B12R0.78 CCCC(C)CC(=O)CC(C)(C)O 1458a_100000693243_100011216630 [0,2,0,0,0,0|2,0,0]=4 4403 B12R0.78 CCCC(C)CC(=O)NC(C)(C)C 11a_100000715429_100000748435 [0,2,0,0,0,0|2,0,0]=4 4404 B12R0.78 CCCC(C)CC(=O)NC(C)(C)C 1626a_100000715429_100000748435 [0,2,0,0,0,0|2,0,0]=4 4405 B12R0.78 CCCC(C)CC(=O)NC(C)(C)C 240690a_100000715429_100000748435 [0,2,0,0,0,0|2,0,0]=4 4406 B12R0.78 CCCC(C)CC(=O)NC(C)(C)C 527a_100000715429_100000748435 [0,2,0,0,0,0|2,0,0]=4 4407 B12R0.78 CCCN(C)CC(=O)OC(C)(C)C 2230a_100000725589_100000210303 [0,2,0,0,0,0|2,0,0]=4 4408 B12R0.78 CCCN(C)CC(=O)OC(C)(C)C 2230a_100000747261_100000183872 [0,2,0,0,0,0|2,0,0]=4 4409 B12R0.78 CCNC(=O)CC(C)CC(C)(C)C 11a_100015525214_100000239893 [0,2,0,0,0,0|2,0,0]=4 4410 B12R0.78 CCNC(=O)CC(C)CC(C)(C)C 240690a_100015525214_100000239893 [0,2,0,0,0,0|2,0,0]=4 4411 B12R0.78 CCNC(=O)CC(C)CC(C)(C)C 527a_100015525214_100000239893 [0,2,0,0,0,0|2,0,0]=4 4412 B12R0.78 CCNC(=O)C[C@@H](O)C[N+](C)(C)C 240690a_100015525214_100000004043 [0,2,0,0,0,0|2,0,0]=4 4413 B12R0.78 CCOC(=O)CC(=O)CC(C)(C)C 1458a_100000211214_100000188475 [0,2,0,0,0,0|0,0,2]=4 4414 B12R0.78 CCOC(=O)CC(=O)CC(C)(C)O 1458a_100000693243_100000188475 [0,2,0,0,0,0|0,0,2]=4 4415 B12R0.78 CCOC(=O)CC(C)NC(C)(C)C 2230a_100000715429_100009817359 [0,2,0,0,0,0|2,0,0]=4 4416 B12R0.78 CCOC(=O)CC(C)OC(C)(C)C 7a_100015890283_100009817359 [0,2,0,0,0,0|2,0,0]=4 4417 B12R0.78 CCOC(=O)CC(C)SC(C)(C)C 62a_100000211941_100009817359 [0,2,0,0,0,0|2,0,0]=4 4418 B12R0.78 CCOC(=O)CC(C)SC(C)(C)C 62a_100009817359_100000211941 [0,2,0,0,0,0|2,0,0]=4 4419 B12R0.78 CCOC(=O)CN(C)CC(C)(C)C 2230a_100000742839_100000188475 [0,2,0,0,0,0|2,0,0]=4 4420 B12R0.78 CCOC(=O)CN(C)CC(C)(C)C 269982a_100000742839_100000188475 [0,2,0,0,0,0|2,0,0]=4 4421 B12R0.78 CCOC(=O)CN(C)CC(C)(C)C 270004a_100000220588_100011204126 [0,2,0,0,0,0|2,0,0]=4 4422 B12R0.78 CCOC(=O)CN(C)CC(C)(C)O 2230a_100000755907_100000188475 [0,2,0,0,0,0|2,0,0]=4 4423 B12R0.78 CCOC(=O)CN(C)CC(C)(C)O 269982a_100000755907_100000188475 [0,2,0,0,0,0|2,0,0]=4 4424 B12R0.78 CCO[C@@H](C)CC(=O)OC(C)(C)C 7a_100000138086_100000210202 [0,2,0,0,0,0|2,0,0]=4 4425 B12R0.191 CCOC(=O)C(C)C(=O)CC(C)C 1458a_100000210554_100011216346 [0,2,0,0,0,0|0,0,2]=4 4426 B12R0.191 CCOC(=O)C(C)C(=O)CC(C)C 1458a_100132301724_100000210624 [0,2,0,0,0,0|0,0,2]=4 4427 B12R0.191 CCOC(=O)C(C)C(=O)CC(C)O 1458a_100132301724_100011218427 [0,2,0,0,0,0|0,0,2]=4 4428 B12R0.191 CCOC(=O)C(C)C(=O)C[C@@H](C)O 1458a_100011933948_100011216346 [0,2,0,0,0,0|0,0,2]=4 4429 B12R0.191 CCOC(=O)C(C)N(C)CC(C)C 2230a_100000747067_100011215307 [0,2,0,0,0,0|2,0,0]=4 4430 B12R0.191 CCOC(=O)C(C)N(C)CC(C)C 269982a_100000747067_100011216346 [0,2,0,0,0,0|2,0,0]=4 4431 B12R0.191 CCOC(=O)C(C)N(C)CC(C)O 2230a_100000227577_100011215307 [0,2,0,0,0,0|2,0,0]=4 4432 B12R0.191 CCOC(=O)C(C)N(C)CC(C)O 269982a_100000227577_100011216346 [0,2,0,0,0,0|2,0,0]=4 4433 B12R0.191 CCOC(=O)C(F)C(=O)CC(C)C 1458a_100000210554_100000760018 [0,2,0,0,0,0|0,0,2]=4 4434 B12R0.191 CCOC(=O)C(F)C(=O)C[C@@H](C)O 1458a_100011933948_100000760018 [0,2,0,0,0,0|0,0,2]=4 4435 B12R0.191 CCOC(=O)C(F)N(C)CC(C)C 2230a_100000747067_100000760018 [0,2,0,0,0,0|2,0,0]=4 4436 B12R0.191 CCOC(=O)C(F)N(C)CC(C)C 269982a_100000747067_100000760018 [0,2,0,0,0,0|2,0,0]=4 4437 B12R0.191 CCOC(=O)C(F)N(C)CC(C)O 2230a_100000227577_100000760018 [0,2,0,0,0,0|2,0,0]=4 4438 B12R0.191 CCOC(=O)C(F)N(C)CC(C)O 269982a_100000227577_100000760018 [0,2,0,0,0,0|2,0,0]=4 4439 B12R0.297 CCCN(CC)CC(=O)OC(C)C 2230a_100000226822_100011215430 [0,2,0,0,0,0|2,0,0]=4 4440 B12R0.297 CCCN(CC)CC(=O)OC(C)C 269982a_100000226822_100011215430 [0,2,0,0,0,0|2,0,0]=4 4441 B12R0.297 CCC[C@@H](CO)NC(=O)CC(C)C 240690a_100000732646_100000210554 [0,2,0,0,0,0|2,0,0]=4 4442 B12R0.297 CCC[C@@H](CO)NC(=O)CC(C)C 527a_100000732646_100000210554 [0,2,0,0,0,0|2,0,0]=4 4443 B12R0.297 CCC[C@@H](CO)NC(=O)C[C@@H](C)O 240690a_100000732646_100011933948 [0,2,0,0,0,0|2,0,0]=4 4444 B12R0.297 CCC[C@@H](CO)NC(=O)NC(C)C 2708a_100138425928_100000732646 [0,2,0,0,0,0|2,0,0]=4 4445 B12R0.297 CCC[C@@H](CO)NC(=O)NC(C)C 273464a_100138425928_100000732646 [0,2,0,0,0,0|2,0,0]=4 4446 B12R0.297 CCC[C@@H](CO)NC(=O)NC(C)C 512a_100000732646_100138425928 [0,2,0,0,0,0|2,0,0]=4 4447 B12R0.297 CCC[C@@H](CO)NC(=O)NC(C)C 512a_100138425928_100000732646 [0,2,0,0,0,0|2,0,0]=4 4448 B12R0.428 C=C(C)CC(=O)CC(C)(O)CCC 1458a_100011667670_100000748629 [0,2,0,0,0,0|1,0,1]=4 4449 B12R0.428 CCCC(C)(O)CC(=O)CC(C)C 1458a_100011667670_100000210624 [0,2,0,0,0,0|1,0,0]=3 4450 B12R0.428 CCCC(C)(O)CC(=O)CC(C)O 1458a_100011667670_100011218427 [0,2,0,0,0,0|1,0,0]=3 4451 B12R0.428 CCCC(C)(O)CC(=O)CC(F)F 1458a_100011667670_100011934356 [0,2,0,0,0,0|2,0,0]=4 4452 B12R0.428 CCCC(C)(O)CC(=O)NC(C)C 240690a_100138425928_100011667670 [0,2,0,0,0,0|1,0,0]=3 4453 B12R0.428 CCCC(C)(O)CC(=O)NC(C)C 527a_100138425928_100011667670 [0,2,0,0,0,0|1,0,0]=3 4454 B12R0.563 CCC(C)C(=O)CC(=O)OC(C)C 1458a_100011192722_100011215430 [0,2,0,0,0,0|0,0,2]=4 4455 B12R0.563 CCC(C)N(C)CC(=O)OC(C)C 2230a_100000741768_100011215430 [0,2,0,0,0,0|2,0,0]=4 4456 B12R0.563 CCC(C)N(C)CC(=O)OC(C)C 269982a_100000741768_100011215430 [0,2,0,0,0,0|2,0,0]=4 4457 B12R0.563 CCC(O)C(=O)CC(=O)OC(C)C 1458a_100011196387_100011215430 [0,2,0,0,0,0|0,0,2]=4 4458 B12R0.744 CCOC(=O)CC(C)(C)OC(C)C 7a_100000765344_100000210206 [0,2,0,0,0,0|2,0,0]=4 4459 B12R0.103 CCCCC(=O)CC(=O)OCCC 1458a_100000210183_200011215008 [0,2,0,0,0,0|0,0,2]=4 4460 B12R0.103 CCCCC(C)NC(=O)COCC 11a_100000126638_100000211967 [0,2,0,0,0,0|2,0,0]=4 4461 B12R0.103 CCCCC(C)NC(=O)COCC 1626a_100000126638_100000211967 [0,2,0,0,0,0|2,0,0]=4 4462 B12R0.103 CCCCC(C)NC(=O)COCC 240690a_100000126638_100000211967 [0,2,0,0,0,0|2,0,0]=4 4463 B12R0.103 CCCCC(C)NC(=O)COCC 527a_100000126638_100000211967 [0,2,0,0,0,0|2,0,0]=4 4464 B12R0.103 CCCCN(C)CC(=O)OCCC 2230a_100000207549_200011215008 [0,2,0,0,0,0|2,0,0]=4 4465 B12R0.103 CCCCN(C)CC(=O)OCCC 269982a_100000207549_200011215008 [0,2,0,0,0,0|2,0,0]=4 4466 B12R0.103 CCCNC(=O)CC(=O)COCC 1458a_100000211967_100000183358 [0,2,0,0,0,0|0,0,2]=4 4467 B12R0.103 CCCOC(=O)CC(=O)CCOC 1458a_100000749529_200011215008 [0,2,0,0,0,0|0,0,2]=4 4468 B12R0.103 CCCOC(=O)CC(=O)CCSC 1458a_100000174002_200011215008 [0,2,0,0,0,0|0,0,2]=4 4469 B12R0.103 CCCOC(=O)CC(=O)COCC 1458a_100000211967_200011215008 [0,2,0,0,0,0|0,0,2]=4 4470 B12R0.103 CCCOC(=O)CC(=O)CSCC 1458a_100000230394_200011215008 [0,2,0,0,0,0|0,0,2]=4 4471 B12R0.103 CCCOC(=O)CN(C)CCCO 2230a_100000213112_200011215008 [0,2,0,0,0,0|2,0,0]=4 4472 B12R0.103 CCCOC(=O)CN(C)CCCO 269982a_100000213112_200011215008 [0,2,0,0,0,0|2,0,0]=4 4473 B12R0.103 CCCOC(=O)CN(C)CCOC 2230a_100000743101_200011215008 [0,2,0,0,0,0|2,0,0]=4 4474 B12R0.103 CCCOC(=O)CN(C)CCOC 269982a_100000743101_200011215008 [0,2,0,0,0,0|2,0,0]=4 4475 B12R0.103 CCCOC(=O)CN(C)CCSC 2230a_100000686725_200011215008 [0,2,0,0,0,0|2,0,0]=4 4476 B12R0.103 CCCOC(=O)CN(C)CCSC 269982a_100000686725_200011215008 [0,2,0,0,0,0|2,0,0]=4 4477 B12R0.132 CCC=CC(=O)N[C@H](CO)CCC 240690a_100000732646_100000212282 [0,2,0,0,0,0|2,0,0]=4 4478 B12R0.132 CCCC(CC)NC(=O)COCC 11a_100000747048_100000211967 [0,2,0,0,0,0|2,0,0]=4 4479 B12R0.132 CCCC(CC)NC(=O)COCC 1626a_100000747048_100000211967 [0,2,0,0,0,0|2,0,0]=4 4480 B12R0.132 CCCC(CC)NC(=O)COCC 240690a_100000747048_100000211967 [0,2,0,0,0,0|2,0,0]=4 4481 B12R0.132 CCCC(CC)NC(=O)COCC 527a_100000747048_100000211967 [0,2,0,0,0,0|2,0,0]=4 4482 B12R0.132 CCCCC(=O)N[C@H](CO)CCC 240690a_100000732646_100000210183 [0,2,0,0,0,0|2,0,0]=4 4483 B12R0.132 CCCCC(=O)N[C@H](CO)CCC 527a_100000732646_100000210183 [0,2,0,0,0,0|2,0,0]=4 4484 B12R0.132 CCCNC(=O)N[C@H](CO)CCC 2708a_100020643023_100000732646 [0,2,0,0,0,0|2,0,0]=4 4485 B12R0.132 CCCNC(=O)N[C@H](CO)CCC 273464a_100000732646_100020643023 [0,2,0,0,0,0|2,0,0]=4 4486 B12R0.132 CCCNC(=O)N[C@H](CO)CCC 273464a_100020643023_100000732646 [0,2,0,0,0,0|2,0,0]=4 4487 B12R0.132 CCCNC(=O)N[C@H](CO)CCC 512a_100000732646_100020643023 [0,2,0,0,0,0|2,0,0]=4 4488 B12R0.132 CCCNC(=O)N[C@H](CO)CCC 512a_100020643023_100000732646 [0,2,0,0,0,0|2,0,0]=4 4489 B12R0.132 CCCOC(=O)CN(CC)CCC 2230a_100000226822_200011215008 [0,2,0,0,0,0|2,0,0]=4 4490 B12R0.132 CCCOC(=O)CN(CC)CCC 269982a_100000226822_200011215008 [0,2,0,0,0,0|2,0,0]=4 4491 B12R0.132 CCC[C@@H](CO)NC(=O)CCOC 240690a_100000732646_100000749529 [0,2,0,0,0,0|2,0,0]=4 4492 B12R0.132 CCC[C@@H](CO)NC(=O)CCOC 527a_100000732646_100000749529 [0,2,0,0,0,0|2,0,0]=4 4493 B12R0.132 CCC[C@@H](CO)NC(=O)CCSC 240690a_100000732646_100000174002 [0,2,0,0,0,0|2,0,0]=4 4494 B12R0.132 CCC[C@@H](CO)NC(=O)CCSC 527a_100000732646_100000174002 [0,2,0,0,0,0|2,0,0]=4 4495 B12R0.132 CCC[C@@H](CO)NC(=O)COCC 240690a_100000732646_100000211967 [0,2,0,0,0,0|1,0,0]=3 4496 B12R0.132 CCC[C@@H](CO)NC(=O)COCC 527a_100000732646_100000211967 [0,2,0,0,0,0|1,0,0]=3 4497 B12R0.132 CCC[C@@H](CO)NC(=O)CSCC 240690a_100000732646_100000230394 [0,2,0,0,0,0|1,1,0]=4 4498 B12R0.132 CCC[C@@H](CO)NC(=O)CSCC 527a_100000732646_100000230394 [0,2,0,0,0,0|1,1,0]=4 4499 B12R0.132 CCC[C@@H](CO)NC(=O)NCCF 273464a_100000724931_100000732646 [0,2,0,0,0,0|2,0,0]=4 4500 B12R0.132 CCC[C@@H](CO)NC(=O)NCCF 273464a_100000732646_100000724931 [0,2,0,0,0,0|2,0,0]=4 4501 B12R0.132 CCC[C@@H](CO)NC(=O)NCCF 512a_100000732646_100000724931 [0,2,0,0,0,0|2,0,0]=4 4502 B12R0.132 CCC[C@@H](CO)NC(=O)NCCO 273464a_100000210304_100000732646 [0,2,0,0,0,0|2,0,0]=4 4503 B12R0.132 CCC[C@@H](CO)NC(=O)NCCO 273464a_100000732646_100000210304 [0,2,0,0,0,0|2,0,0]=4 4504 B12R0.132 CCC[C@@H](CO)NC(=O)NCCO 512a_100000732646_100000210304 [0,2,0,0,0,0|2,0,0]=4 4505 B12R0.132 CCC[C@@H](CO)NC(=O)NNCC 273464a_100000732646_100000756455 [0,2,0,0,0,0|2,0,0]=4 4506 B12R0.132 CCC[C@@H](CO)NC(=O)NNCC 512a_100000732646_100000756455 [0,2,0,0,0,0|2,0,0]=4 4507 B12R0.132 CCC[C@@H](CO)NC(=O)NNCC 512a_100000756455_100000732646 [0,2,0,0,0,0|2,0,0]=4 4508 B12R0.132 CCOCC(=O)NC(CO)COC 240690a_100000724102_100000211967 [0,2,0,0,0,0|2,0,0]=4 4509 B12R0.132 CCOCC(=O)NC(CO)COC 527a_100000724102_100000211967 [0,2,0,0,0,0|2,0,0]=4 4510 B12R0.134 CCCOC(=O)CC(=O)C(C)CC 1458a_100011192722_200011215008 [0,2,0,0,0,0|0,0,2]=4 4511 B12R0.134 CCCOC(=O)CC(=O)C(O)CC 1458a_100011196387_200011215008 [0,2,0,0,0,0|0,0,2]=4 4512 B12R0.134 CCCOC(=O)CN(C)C(C)CC 2230a_100000741768_200011215008 [0,2,0,0,0,0|2,0,0]=4 4513 B12R0.134 CCCOC(=O)CN(C)C(C)CC 269982a_100000741768_200011215008 [0,2,0,0,0,0|2,0,0]=4 4514 B12R0.239 C#CCCCC(=O)CC(=O)OCC 1458a_100000243816_100000731252 [0,2,0,0,0,0|0,0,2]=4 4515 B12R0.239 C#CCCCC(=O)CC(=O)OCC 1458a_100000690238_100000188475 [0,2,0,0,0,0|0,0,2]=4 4516 B12R0.239 C#CCCCC(=O)CC(C)CCC 1458a_100000690238_100011216630 [0,2,0,0,0,0|2,0,0]=4 4517 B12R0.239 C#CCCCC(=O)CC(C)CCC 1458a_100000748435_100000731252 [0,2,0,0,0,0|2,0,0]=4 4518 B12R0.239 C#CCCCN(C)CC(=O)OCC 2230a_100000220588_100000731252 [0,2,0,0,0,0|2,0,0]=4 4519 B12R0.239 C#CCCNC(=O)CC(C)CCC 11a_100000755551_100000748435 [0,2,0,0,0,0|2,0,0]=4 4520 B12R0.239 C#CCCNC(=O)CC(C)CCC 1626a_100000755551_100000748435 [0,2,0,0,0,0|2,0,0]=4 4521 B12R0.239 C#CCCNC(=O)CC(C)CCC 240690a_100000755551_100000748435 [0,2,0,0,0,0|2,0,0]=4 4522 B12R0.239 C#CCCNC(=O)CC(C)CCC 527a_100000755551_100000748435 [0,2,0,0,0,0|2,0,0]=4 4523 B12R0.239 C#CCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000688953 [0,2,0,0,0,0|1,0,1]=4 4524 B12R0.239 C#CCCSC(C)CC(=O)OCC 62a_100000688953_100009817359 [0,2,0,0,0,0|1,0,1]=4 4525 B12R0.239 C#CCCSC(C)CC(=O)OCC 62a_100009817359_100000688953 [0,2,0,0,0,0|1,0,1]=4 4526 B12R0.239 C#CCNC[C@@H](O)CC(=O)OCC 34a_100000212058_100000688340 [0,2,0,0,0,0|0,0,1]=3 4527 B12R0.239 C#CCOCC(=O)CC(C)CCC 1458a_100011251226_100011216630 [0,2,0,0,0,0|1,0,1]=4 4528 B12R0.239 C#CCOC[C@@H](O)CC(=O)OCC 34a_100000210247_100000688340 [0,2,0,0,0,0|0,0,1]=3 4529 B12R0.239 C#CCSC[C@@H](O)CC(=O)OCC 62a_100000038162_100000688340 [0,2,0,0,0,0|0,0,1]=3 4530 B12R0.239 C/C=C/CO[C@H](C)CC(=O)OCC 7a_100009816390_100102629194 [0,2,0,0,0,0|1,0,1]=4 4531 B12R0.239 C/C=C/CSC(C)CC(=O)OCC 62a_100009817359_100102629194 [0,2,0,0,0,0|1,0,1]=4 4532 B12R0.239 C/C=C/CSC(C)CC(=O)OCC 62a_100102629194_100009817359 [0,2,0,0,0,0|1,0,1]=4 4533 B12R0.239 C=C(CCC)CC(=O)CCOCC 1458a_100000138376_100011215890 [0,2,0,0,0,0|1,0,1]=4 4534 B12R0.239 C=CCCCC(=O)CC(=O)OCC 1458a_100000243816_100000757094 [0,2,0,0,0,0|0,0,2]=4 4535 B12R0.239 C=CCCCC(=O)CC(=O)OCC 1458a_100000766728_100000188475 [0,2,0,0,0,0|0,0,2]=4 4536 B12R0.239 C=CCCCC(=O)CC(C)CCC 1458a_100000748435_100000757094 [0,2,0,0,0,0|2,0,0]=4 4537 B12R0.239 C=CCCCC(=O)CC(C)CCC 1458a_100000766728_100011216630 [0,2,0,0,0,0|2,0,0]=4 4538 B12R0.239 C=CCCCN(C)CC(=O)OCC 2230a_100000220588_100011713584 [0,2,0,0,0,0|2,0,0]=4 4539 B12R0.239 C=CCCNC(=O)CC(C)CCC 11a_100015191253_100000748435 [0,2,0,0,0,0|2,0,0]=4 4540 B12R0.239 C=CCCNC(=O)CC(C)CCC 1626a_100015191253_100000748435 [0,2,0,0,0,0|2,0,0]=4 4541 B12R0.239 C=CCCNC(=O)CC(C)CCC 240690a_100015191253_100000748435 [0,2,0,0,0,0|2,0,0]=4 4542 B12R0.239 C=CCCNC(=O)CC(C)CCC 527a_100015191253_100000748435 [0,2,0,0,0,0|2,0,0]=4 4543 B12R0.239 C=CCCNC(C)CC(=O)OCC 2230a_100015191253_100009817359 [0,2,0,0,0,0|1,0,1]=4 4544 B12R0.239 C=CCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000754431 [0,2,0,0,0,0|1,0,1]=4 4545 B12R0.239 C=CCCSC(C)CC(=O)OCC 62a_100000754431_100009817359 [0,2,0,0,0,0|1,0,1]=4 4546 B12R0.239 C=CCCSC(C)CC(=O)OCC 62a_100009817359_100000754431 [0,2,0,0,0,0|1,0,1]=4 4547 B12R0.239 C=CCOC[C@@H](O)CC(=O)OCC 34a_200000210373_100000688340 [0,2,0,0,0,0|0,0,1]=3 4548 B12R0.239 C=CCSC[C@@H](O)CC(=O)OCC 62a_100000210623_100000688340 [0,2,0,0,0,0|0,0,1]=3 4549 B12R0.239 C=CCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210623 [0,2,0,0,0,0|0,0,1]=3 4550 B12R0.239 CC#CCNC(=O)CC(C)CCC 11a_100000685387_100000748435 [0,2,0,0,0,0|2,0,0]=4 4551 B12R0.239 CC#CCNC(=O)CC(C)CCC 1626a_100000685387_100000748435 [0,2,0,0,0,0|2,0,0]=4 4552 B12R0.239 CC#CCNC(=O)CC(C)CCC 527a_100000685387_100000748435 [0,2,0,0,0,0|2,0,0]=4 4553 B12R0.239 CC#CCNC(C)CC(=O)OCC 2230a_100000685387_100009817359 [0,2,0,0,0,0|1,0,1]=4 4554 B12R0.239 CC#CCO[C@H](C)CC(=O)OCC 7a_100009816390_100000748600 [0,2,0,0,0,0|1,0,1]=4 4555 B12R0.239 CC#CCSC(C)CC(=O)OCC 62a_100000748600_100009817359 [0,2,0,0,0,0|1,0,1]=4 4556 B12R0.239 CC#CCSC(C)CC(=O)OCC 62a_100009817359_100000748600 [0,2,0,0,0,0|1,0,1]=4 4557 B12R0.239 CC/C=C/CC(=O)CC(=O)OCC 1458a_100016274230_100000188475 [0,2,0,0,0,0|0,0,2]=4 4558 B12R0.239 CC/C=C/CC(=O)CC(C)CCC 1458a_100016274230_100011216630 [0,2,0,0,0,0|2,0,0]=4 4559 B12R0.239 CC/C=C\CC(=O)CC(=O)OCC 1458a_100000243816_100103147603 [0,2,0,0,0,0|0,0,2]=4 4560 B12R0.239 CC/C=C\CC(=O)CC(C)CCC 1458a_100000748435_100103147603 [0,2,0,0,0,0|2,0,0]=4 4561 B12R0.239 CC/C=C\CN(C)CC(=O)OCC 2230a_100000220588_100103147603 [0,2,0,0,0,0|2,0,0]=4 4562 B12R0.239 CC=CCO[C@H](C)CC(=O)OCC 7a_100009816390_100000070051 [0,2,0,0,0,0|1,0,1]=4 4563 B12R0.239 CC=CCSC(C)CC(=O)OCC 62a_100000070051_100009817359 [0,2,0,0,0,0|1,0,1]=4 4564 B12R0.239 CC=CCSC(C)CC(=O)OCC 62a_100009817359_100000070051 [0,2,0,0,0,0|1,0,1]=4 4565 B12R0.239 CCC#CCC(=O)CC(=O)OCC 1458a_100000243816_100009813939 [0,2,0,0,0,0|0,0,2]=4 4566 B12R0.239 CCC#CCC(=O)CC(C)CCC 1458a_100000748435_100009813939 [0,2,0,0,0,0|2,0,0]=4 4567 B12R0.239 CCC#CCN(C)CC(=O)OCC 2230a_100000220588_100009813939 [0,2,0,0,0,0|2,0,0]=4 4568 B12R0.239 CCCC#CC(=O)CC(=O)OCC 1458a_200011218047_100000188475 [0,2,0,0,0,0|0,0,2]=4 4569 B12R0.239 CCCC#CC(=O)CC(C)CCC 1458a_200011218047_100011216630 [0,2,0,0,0,0|2,0,0]=4 4570 B12R0.239 CCCC(=O)CC(=O)C=COCC 1458a_100016266692_100000747444 [0,2,0,0,0,0|0,0,2]=4 4571 B12R0.239 CCCC(=O)CC(=O)CCOCC 1458a_100000749530_100000747444 [0,2,0,0,0,0|0,0,2]=4 4572 B12R0.239 CCCC(=O)CC(=O)COCCO 1458a_100000708028_100000747444 [0,2,0,0,0,0|0,0,2]=4 4573 B12R0.239 CCCC(=O)CC(=O)OCCOC 1458a_100000211992_200000040189 [0,2,0,0,0,0|0,0,2]=4 4574 B12R0.239 CCCC(C)CC(=O)C=CCOC 1458a_100016285016_100011216630 [0,2,0,0,0,0|2,0,0]=4 4575 B12R0.239 CCCC(C)CC(=O)C=COCC 1458a_100016266692_100011216630 [0,2,0,0,0,0|1,0,0]=3 4576 B12R0.239 CCCC(C)CC(=O)CCCC#N 1458a_100000075515_100011216630 [0,2,0,0,0,0|2,0,0]=4 4577 B12R0.239 CCCC(C)CC(=O)CCCC#N 1458a_100000748435_100000211468 [0,2,0,0,0,0|2,0,0]=4 4578 B12R0.239 CCCC(C)CC(=O)CCCCF 1458a_100000748435_100000729493 [0,2,0,0,0,0|2,0,0]=4 4579 B12R0.239 CCCC(C)CC(=O)CCCCO 1458a_100000695505_100011216630 [0,2,0,0,0,0|2,0,0]=4 4580 B12R0.239 CCCC(C)CC(=O)CCCCO 1458a_100000748435_100000210776 [0,2,0,0,0,0|2,0,0]=4 4581 B12R0.239 CCCC(C)CC(=O)CCCOC 1458a_100000741012_100011216630 [0,2,0,0,0,0|2,0,0]=4 4582 B12R0.239 CCCC(C)CC(=O)CCCOC 1458a_100000748435_100000740836 [0,2,0,0,0,0|2,0,0]=4 4583 B12R0.239 CCCC(C)CC(=O)CCCSC 1458a_100000173376_100011216630 [0,2,0,0,0,0|2,0,0]=4 4584 B12R0.239 CCCC(C)CC(=O)CCOCC 1458a_100000748435_100011215890 [0,2,0,0,0,0|1,0,0]=3 4585 B12R0.239 CCCC(C)CC(=O)CCOCC 1458a_100000749530_100011216630 [0,2,0,0,0,0|1,0,0]=3 4586 B12R0.239 CCCC(C)CC(=O)CCSCC 1458a_100000230768_100011216630 [0,2,0,0,0,0|1,1,0]=4 4587 B12R0.239 CCCC(C)CC(=O)CCSCC 1458a_100000748435_100000757381 [0,2,0,0,0,0|1,1,0]=4 4588 B12R0.239 CCCC(C)CC(=O)COCCO 1458a_100000708028_100011216630 [0,2,0,0,0,0|1,0,0]=3 4589 B12R0.239 CCCC(C)CC(=O)NCCC#N 11a_100000720768_100000748435 [0,2,0,0,0,0|2,0,0]=4 4590 B12R0.239 CCCC(C)CC(=O)NCCC#N 1626a_100000720768_100000748435 [0,2,0,0,0,0|2,0,0]=4 4591 B12R0.239 CCCC(C)CC(=O)NCCC#N 240690a_100000720768_100000748435 [0,2,0,0,0,0|2,0,0]=4 4592 B12R0.239 CCCC(C)CC(=O)NCCC#N 527a_100000720768_100000748435 [0,2,0,0,0,0|2,0,0]=4 4593 B12R0.239 CCCC(C)CC(=O)NCCCF 11a_100015189416_100000748435 [0,2,0,0,0,0|2,0,0]=4 4594 B12R0.239 CCCC(C)CC(=O)NCCCF 1626a_100015189416_100000748435 [0,2,0,0,0,0|2,0,0]=4 4595 B12R0.239 CCCC(C)CC(=O)NCCCF 240690a_100015189416_100000748435 [0,2,0,0,0,0|2,0,0]=4 4596 B12R0.239 CCCC(C)CC(=O)NCCCF 527a_100015189416_100000748435 [0,2,0,0,0,0|2,0,0]=4 4597 B12R0.239 CCCC(C)CC(=O)NCCCO 240690a_100000182051_100000748435 [0,2,0,0,0,0|2,0,0]=4 4598 B12R0.239 CCCC(C)CC(=O)NCCCO 527a_100000182051_100000748435 [0,2,0,0,0,0|2,0,0]=4 4599 B12R0.239 CCCC(C)CC(=O)NCCOC 1626a_100000209980_100000748435 [0,2,0,0,0,0|2,0,0]=4 4600 B12R0.239 CCCC(C)CC(=O)NCCOC 240690a_100000209980_100000748435 [0,2,0,0,0,0|2,0,0]=4 4601 B12R0.239 CCCC(C)CC(=O)NCCOC 527a_100000209980_100000748435 [0,2,0,0,0,0|2,0,0]=4 4602 B12R0.239 CCCC(C)CC(=O)NCCSC 11a_100020590264_100000748435 [0,2,0,0,0,0|2,0,0]=4 4603 B12R0.239 CCCC(C)CC(=O)NCCSC 1626a_100020590264_100000748435 [0,2,0,0,0,0|2,0,0]=4 4604 B12R0.239 CCCC(C)CC(=O)NCCSC 240690a_100020590264_100000748435 [0,2,0,0,0,0|2,0,0]=4 4605 B12R0.239 CCCC(C)CC(=O)NCCSC 527a_100020590264_100000748435 [0,2,0,0,0,0|2,0,0]=4 4606 B12R0.239 CCCC(C)CC(=O)NNCCO 22a_100000210001_100000748435 [0,2,0,0,0,0|2,0,0]=4 4607 B12R0.239 CCCC(C)NC(=O)C=COCC 11a_100000741246_100016266692 [0,2,0,0,0,0|2,0,0]=4 4608 B12R0.239 CCCC(C)NC(=O)C=COCC 1626a_100000741246_100016266692 [0,2,0,0,0,0|2,0,0]=4 4609 B12R0.239 CCCC(C)NC(=O)C=COCC 240690a_100000741246_100016266692 [0,2,0,0,0,0|2,0,0]=4 4610 B12R0.239 CCCC(C)NC(=O)CCOCC 11a_100000741246_100000749530 [0,2,0,0,0,0|2,0,0]=4 4611 B12R0.239 CCCC(C)NC(=O)CCOCC 1626a_100000741246_100000749530 [0,2,0,0,0,0|2,0,0]=4 4612 B12R0.239 CCCC(C)NC(=O)CCOCC 240690a_100000741246_100000749530 [0,2,0,0,0,0|2,0,0]=4 4613 B12R0.239 CCCC(C)NC(=O)CCOCC 527a_100000741246_100000749530 [0,2,0,0,0,0|2,0,0]=4 4614 B12R0.239 CCCC(C)NC(=O)COCCO 1626a_100000741246_100000708028 [0,2,0,0,0,0|2,0,0]=4 4615 B12R0.239 CCCC(C)NC(=O)COCCO 240690a_100000741246_100000708028 [0,2,0,0,0,0|2,0,0]=4 4616 B12R0.239 CCCC=CC(=O)CC(=O)OCC 1458a_100000212230_100000188475 [0,2,0,0,0,0|0,0,2]=4 4617 B12R0.239 CCCC=CC(=O)CC(C)CCC 1458a_100000212230_100011216630 [0,2,0,0,0,0|2,0,0]=4 4618 B12R0.239 CCCCCC(=O)CC(=O)OCC 1458a_100000212188_100000188475 [0,2,0,0,0,0|0,0,2]=4 4619 B12R0.239 CCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210326 [0,2,0,0,0,0|0,0,2]=4 4620 B12R0.239 CCCCCC(=O)CC(C)CCC 1458a_100000212188_100011216630 [0,2,0,0,0,0|2,0,0]=4 4621 B12R0.239 CCCCCC(=O)CC(C)CCC 1458a_100000748435_100000210326 [0,2,0,0,0,0|2,0,0]=4 4622 B12R0.239 CCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210326 [0,2,0,0,0,0|2,0,0]=4 4623 B12R0.239 CCCCCN(C)CC(=O)OCC 2230a_100000223495_100000188475 [0,2,0,0,0,0|2,0,0]=4 4624 B12R0.239 CCCCCN(C)CC(=O)OCC 269982a_100000223495_100000188475 [0,2,0,0,0,0|2,0,0]=4 4625 B12R0.239 CCCCNC(=O)CC(=O)OCC 240690a_100000102301_100000243816 [0,2,0,0,0,0|0,0,2]=4 4626 B12R0.239 CCCCNC(=O)CC(C)CCC 11a_100000102301_100000748435 [0,2,0,0,0,0|2,0,0]=4 4627 B12R0.239 CCCCNC(=O)CC(C)CCC 1626a_100000102301_100000748435 [0,2,0,0,0,0|2,0,0]=4 4628 B12R0.239 CCCCNC(=O)CC(C)CCC 240690a_100000102301_100000748435 [0,2,0,0,0,0|2,0,0]=4 4629 B12R0.239 CCCCNC(=O)CC(C)CCC 527a_100000102301_100000748435 [0,2,0,0,0,0|2,0,0]=4 4630 B12R0.239 CCCCNC(C)CC(=O)OCC 2230a_100000102301_100009817359 [0,2,0,0,0,0|1,0,0]=3 4631 B12R0.239 CCCCNC(C)CC(=O)OCC 7a_106832991798_100009817359 [0,2,0,0,0,0|1,0,0]=3 4632 B12R0.239 CCCCOC(=O)CC(=O)CCC 1458a_100000211992_100000211628 [0,2,0,0,0,0|0,0,2]=4 4633 B12R0.239 CCCCOC(=O)CN(C)CCC 2230a_100000747261_100000211628 [0,2,0,0,0,0|2,0,0]=4 4634 B12R0.239 CCCCOC(=O)CN(C)CCC 269982a_100000747261_100000211628 [0,2,0,0,0,0|2,0,0]=4 4635 B12R0.239 CCCCOC(C)CC(=O)OCC 7a_100000210227_100009817359 [0,2,0,0,0,0|1,0,0]=3 4636 B12R0.239 CCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210211 [0,2,0,0,0,0|1,0,0]=3 4637 B12R0.239 CCCCSC(C)CC(=O)OCC 62a_100000210211_100009817359 [0,2,0,0,0,0|1,0,0]=3 4638 B12R0.239 CCCCSC(C)CC(=O)OCC 62a_100009817359_100000210210 [0,2,0,0,0,0|1,0,0]=3 4639 B12R0.239 CCCCSC(C)OC(=O)OCC 62a_100000036008_100000210210 [0,2,0,0,0,0|2,0,0]=4 4640 B12R0.239 CCCCSC(C)OC(=O)OCC 62a_100000210211_100000036008 [0,2,0,0,0,0|2,0,0]=4 4641 B12R0.239 CCCN(C)CC(=O)OCCOC 2230a_100000747261_200000040189 [0,2,0,0,0,0|2,0,0]=4 4642 B12R0.239 CCCN(C)CC(=O)OCCOC 269982a_100000747261_200000040189 [0,2,0,0,0,0|2,0,0]=4 4643 B12R0.239 CCCNNC(=O)CC(=O)OCC 22a_100000740057_100000243816 [0,2,0,0,0,0|0,0,2]=4 4644 B12R0.239 CCCNNC(=O)CC(C)CCC 22a_100000740057_100000748435 [0,2,0,0,0,0|2,0,0]=4 4645 B12R0.239 CCCOCC(=O)CC(=O)CCC 1458a_100000745993_100000747444 [0,2,0,0,0,0|0,0,2]=4 4646 B12R0.239 CCCOCC(=O)CC(=O)OCC 1458a_100000745993_100000188475 [0,2,0,0,0,0|0,0,2]=4 4647 B12R0.239 CCCOCC(=O)CC(C)CCC 1458a_100000745993_100011216630 [0,2,0,0,0,0|1,0,0]=3 4648 B12R0.239 CCCOCC(=O)NC(C)CCC 11a_100000741246_100000745993 [0,2,0,0,0,0|2,0,0]=4 4649 B12R0.239 CCCOCC(=O)NC(C)CCC 1626a_100000741246_100000745993 [0,2,0,0,0,0|2,0,0]=4 4650 B12R0.239 CCCOCC(=O)NC(C)CCC 240690a_100000741246_100000745993 [0,2,0,0,0,0|2,0,0]=4 4651 B12R0.239 CCCOCC(=O)NC(C)CCC 527a_100000741246_100000745993 [0,2,0,0,0,0|2,0,0]=4 4652 B12R0.239 CCCOC[C@@H](O)CC(=O)OCC 34a_100000210258_100000688340 [0,2,0,0,0,0|0,0,0]=2 4653 B12R0.239 CCCS(=O)CC(=O)CCOCC 1458a_100011387404_100011215890 [0,2,0,0,0,0|1,0,1]=4 4654 B12R0.239 CCCSCC(=O)CC(=O)OCC 1458a_100000217233_100000188475 [0,2,0,0,0,0|0,0,2]=4 4655 B12R0.239 CCCSCC(=O)CC(=O)OCC 62a_100000210303_100000210311 [0,2,0,0,0,0|0,0,2]=4 4656 B12R0.239 CCCSCC(=O)CC(=O)OCC 62a_100000210311_100000210303 [0,2,0,0,0,0|0,0,2]=4 4657 B12R0.239 CCCSCC(=O)CC(C)CCC 1458a_100000217233_100011216630 [0,2,0,0,0,0|1,1,0]=4 4658 B12R0.239 CCCSC[C@@H](O)CC(=O)OCC 62a_100000210303_100000688340 [0,2,0,0,0,0|0,0,0]=2 4659 B12R0.239 CCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210303 [0,2,0,0,0,0|0,0,0]=2 4660 B12R0.239 CCOC(=O)CC(=O)CCCC#N 1458a_100000075515_100000188475 [0,2,0,0,0,0|0,0,2]=4 4661 B12R0.239 CCOC(=O)CC(=O)CCCC#N 1458a_100000243816_100000211468 [0,2,0,0,0,0|0,0,2]=4 4662 B12R0.239 CCOC(=O)CC(=O)CCCCF 1458a_100000243816_100000729493 [0,2,0,0,0,0|0,0,2]=4 4663 B12R0.239 CCOC(=O)CC(=O)CCCCO 1458a_100000243816_100000210776 [0,2,0,0,0,0|0,0,2]=4 4664 B12R0.239 CCOC(=O)CC(=O)CCCCO 1458a_100000695505_100000188475 [0,2,0,0,0,0|0,0,2]=4 4665 B12R0.239 CCOC(=O)CC(=O)CCCOC 1458a_100000243816_100000740836 [0,2,0,0,0,0|0,0,2]=4 4666 B12R0.239 CCOC(=O)CC(=O)CCCOC 1458a_100000741012_100000188475 [0,2,0,0,0,0|0,0,2]=4 4667 B12R0.239 CCOC(=O)CC(=O)CCCSC 1458a_100000173376_100000188475 [0,2,0,0,0,0|0,0,2]=4 4668 B12R0.239 CCOC(=O)CC(=O)CCSCC 1458a_100000230768_100000188475 [0,2,0,0,0,0|0,0,2]=4 4669 B12R0.239 CCOC(=O)CC(=O)CCSCC 1458a_100000243816_100000757381 [0,2,0,0,0,0|0,0,2]=4 4670 B12R0.239 CCOC(=O)CC(=O)COCCO 1458a_100000708028_100000188475 [0,2,0,0,0,0|0,0,2]=4 4671 B12R0.239 CCOC(=O)CC(=O)CSCCF 62a_100000210311_100011217306 [0,2,0,0,0,0|0,0,2]=4 4672 B12R0.239 CCOC(=O)CC(=O)CSCCF 62a_100011217306_100000210311 [0,2,0,0,0,0|0,0,2]=4 4673 B12R0.239 CCOC(=O)CC(=O)CSCCO 62a_100000210311_100000211926 [0,2,0,0,0,0|0,0,2]=4 4674 B12R0.239 CCOC(=O)CC(=O)CSCCO 62a_100000211926_100000210311 [0,2,0,0,0,0|0,0,2]=4 4675 B12R0.239 CCOC(=O)CC(=O)CSCOC 62a_100000210311_100000766300 [0,2,0,0,0,0|0,0,2]=4 4676 B12R0.239 CCOC(=O)CC(=O)CSCOC 62a_100000766300_100000210311 [0,2,0,0,0,0|0,0,2]=4 4677 B12R0.239 CCOC(=O)CC(=O)CSCSC 62a_100000210311_100011218213 [0,2,0,0,0,0|0,0,2]=4 4678 B12R0.239 CCOC(=O)CC(=O)CSCSC 62a_100011218213_100000210311 [0,2,0,0,0,0|0,0,2]=4 4679 B12R0.239 CCOC(=O)CC(=O)NCCCF 240690a_100015189416_100000243816 [0,2,0,0,0,0|0,0,2]=4 4680 B12R0.239 CCOC(=O)CC(=O)NCCCO 240690a_100000182051_100000243816 [0,2,0,0,0,0|0,0,2]=4 4681 B12R0.239 CCOC(=O)CC(=O)NCCOC 240690a_100000209980_100000243816 [0,2,0,0,0,0|0,0,2]=4 4682 B12R0.239 CCOC(=O)CC(=O)NCCSC 240690a_100020590264_100000243816 [0,2,0,0,0,0|0,0,2]=4 4683 B12R0.239 CCOC(=O)CC(C)NCCCF 2230a_100015189416_100009817359 [0,2,0,0,0,0|1,0,0]=3 4684 B12R0.239 CCOC(=O)CC(C)NCCOC 2230a_100000209980_100009817359 [0,2,0,0,0,0|1,0,0]=3 4685 B12R0.239 CCOC(=O)CC(C)NCCSC 2230a_100020590264_100009817359 [0,2,0,0,0,0|1,0,0]=3 4686 B12R0.239 CCOC(=O)CC(C)OCCSC 7a_100000230434_100009817359 [0,2,0,0,0,0|1,0,0]=3 4687 B12R0.239 CCOC(=O)CC(C)SCCC#N 62a_100009817359_100011215226 [0,2,0,0,0,0|1,0,1]=4 4688 B12R0.239 CCOC(=O)CC(C)SCCC#N 62a_100011215226_100009817359 [0,2,0,0,0,0|1,0,1]=4 4689 B12R0.239 CCOC(=O)CC(C)SCCCF 62a_100009817359_100011934791 [0,2,0,0,0,0|1,0,0]=3 4690 B12R0.239 CCOC(=O)CC(C)SCCCF 62a_100011934791_100009817359 [0,2,0,0,0,0|1,0,0]=3 4691 B12R0.239 CCOC(=O)CC(C)SCCCO 62a_100009817359_100011215043 [0,2,0,0,0,0|1,0,0]=3 4692 B12R0.239 CCOC(=O)CC(C)SCCCO 62a_100011215043_100009817359 [0,2,0,0,0,0|1,0,0]=3 4693 B12R0.239 CCOC(=O)CC(C)SCCOC 62a_100000233755_100009817359 [0,2,0,0,0,0|1,0,0]=3 4694 B12R0.239 CCOC(=O)CC(C)SCCOC 62a_100009817359_100000233755 [0,2,0,0,0,0|1,0,0]=3 4695 B12R0.239 CCOC(=O)CC(C)SCCSC 62a_100000212216_100009817359 [0,2,0,0,0,0|1,0,0]=3 4696 B12R0.239 CCOC(=O)CC(C)SCCSC 62a_100009817359_100000751147 [0,2,0,0,0,0|1,0,0]=3 4697 B12R0.239 CCOC(=O)CN(C)CCCC#N 2230a_100000220588_100000687738 [0,2,0,0,0,0|2,0,0]=4 4698 B12R0.239 CCOC(=O)CN(C)CCCC=O 2230a_100000220588_200011292268 [0,2,0,0,0,0|2,0,0]=4 4699 B12R0.239 CCOC(=O)CN(C)CCCCF 2230a_100000220588_100000729493 [0,2,0,0,0,0|2,0,0]=4 4700 B12R0.239 CCOC(=O)CN(C)CCCCO 2230a_100000220588_100000210776 [0,2,0,0,0,0|2,0,0]=4 4701 B12R0.239 CCOC(=O)CN(C)CCCCO 2230a_100000717598_100000188475 [0,2,0,0,0,0|2,0,0]=4 4702 B12R0.239 CCOC(=O)CN(C)CCCCO 269982a_100000717598_100000188475 [0,2,0,0,0,0|2,0,0]=4 4703 B12R0.239 CCOC(=O)CN(C)CCCOC 2230a_100000220588_100000740836 [0,2,0,0,0,0|2,0,0]=4 4704 B12R0.239 CCOC(=O)CN(C)CCCOC 2230a_100000224831_100000188475 [0,2,0,0,0,0|2,0,0]=4 4705 B12R0.239 CCOC(=O)CN(C)CCCOC 269982a_100000224831_100000188475 [0,2,0,0,0,0|2,0,0]=4 4706 B12R0.239 CCOC(=O)CN(C)CCSCC 2230a_100000220588_100000757381 [0,2,0,0,0,0|2,0,0]=4 4707 B12R0.239 CCOC(=O)C[C@@H](C)OCCC#N 7a_100009816390_100000184422 [0,2,0,0,0,0|1,0,1]=4 4708 B12R0.239 CCOC(=O)C[C@@H](C)OCCCF 7a_100009816390_100011934791 [0,2,0,0,0,0|1,0,0]=3 4709 B12R0.239 CCOC(=O)C[C@@H](C)OCCCO 7a_100009816390_100011215043 [0,2,0,0,0,0|1,0,0]=3 4710 B12R0.239 CCOC(=O)C[C@@H](C)OCCOC 7a_100009816390_100000233755 [0,2,0,0,0,0|1,0,0]=3 4711 B12R0.239 CCOC(=O)C[C@@H](C)OCCSC 7a_100009816390_100000212216 [0,2,0,0,0,0|1,0,0]=3 4712 B12R0.239 CCOC(=O)C[C@H](O)CNCCF 34a_100000724931_100000688340 [0,2,0,0,0,0|0,0,0]=2 4713 B12R0.239 CCOC(=O)C[C@H](O)CNCCO 34a_100016990907_100000688340 [0,2,0,0,0,0|0,0,0]=2 4714 B12R0.239 CCOC(=O)C[C@H](O)COCCBr 34a_100000211926_100000688340 [0,2,0,0,0,0|0,0,0]=2 4715 B12R0.239 CCOC(=O)C[C@H](O)COCCN 34a_100000210304_100000688340 [0,2,0,0,0,0|0,0,0]=2 4716 B12R0.239 CCOC(=O)C[C@H](O)CSCC#N 62a_100000688340_100011215382 [0,2,0,0,0,0|0,0,1]=3 4717 B12R0.239 CCOC(=O)C[C@H](O)CSCC#N 62a_100011215382_100000688340 [0,2,0,0,0,0|0,0,1]=3 4718 B12R0.239 CCOC(=O)C[C@H](O)CSCC=O 62a_100000688340_200015260668 [0,2,0,0,0,0|0,0,1]=3 4719 B12R0.239 CCOC(=O)C[C@H](O)CSCC=O 62a_200015260668_100000688340 [0,2,0,0,0,0|0,0,1]=3 4720 B12R0.239 CCOC(=O)C[C@H](O)CSCCF 62a_100000688340_100011217306 [0,2,0,0,0,0|0,0,0]=2 4721 B12R0.239 CCOC(=O)C[C@H](O)CSCCF 62a_100011217306_100000688340 [0,2,0,0,0,0|0,0,0]=2 4722 B12R0.239 CCOC(=O)C[C@H](O)CSCCO 62a_100000211926_100000688340 [0,2,0,0,0,0|0,0,0]=2 4723 B12R0.239 CCOC(=O)C[C@H](O)CSCCO 62a_100000688340_100000211926 [0,2,0,0,0,0|0,0,0]=2 4724 B12R0.239 CCOC(=O)C[C@H](O)CSCOC 62a_100000688340_100000766300 [0,2,0,0,0,0|0,0,0]=2 4725 B12R0.239 CCOC(=O)C[C@H](O)CSCOC 62a_100000766300_100000688340 [0,2,0,0,0,0|0,0,0]=2 4726 B12R0.239 CCOC(=O)C[C@H](O)CSCSC 62a_100000688340_100011218213 [0,2,0,0,0,0|0,0,0]=2 4727 B12R0.239 CCOC(=O)C[C@H](O)CSCSC 62a_100011218213_100000688340 [0,2,0,0,0,0|0,0,0]=2 4728 B12R0.239 CCOC(=O)OC(C)SCCCF 62a_100000036008_100011934791 [0,2,0,0,0,0|2,0,0]=4 4729 B12R0.239 CCOC(=O)OC(C)SCCCF 62a_100011934791_100000036008 [0,2,0,0,0,0|2,0,0]=4 4730 B12R0.239 CCOC(=O)OC(C)SCCCO 62a_100000036008_100011215043 [0,2,0,0,0,0|2,0,0]=4 4731 B12R0.239 CCOC(=O)OC(C)SCCCO 62a_100011215043_100000036008 [0,2,0,0,0,0|2,0,0]=4 4732 B12R0.239 CCOC(=O)OC(C)SCCOC 62a_100000036008_100000233755 [0,2,0,0,0,0|2,0,0]=4 4733 B12R0.239 CCOC(=O)OC(C)SCCOC 62a_100000233755_100000036008 [0,2,0,0,0,0|2,0,0]=4 4734 B12R0.239 CCOC(=O)OC(C)SCCSC 62a_100000036008_100000751147 [0,2,0,0,0,0|2,0,0]=4 4735 B12R0.239 CCOC(=O)OC(C)SCCSC 62a_100000212216_100000036008 [0,2,0,0,0,0|2,0,0]=4 4736 B12R0.239 CCOCCC(=O)CC(=O)OCC 1458a_100000243816_100011215890 [0,2,0,0,0,0|0,0,2]=4 4737 B12R0.239 CCOCCC(=O)CC(=O)OCC 1458a_100000749530_100000188475 [0,2,0,0,0,0|0,0,2]=4 4738 B12R0.239 CCOCCC(=O)CC(C)SCC 1458a_200011311441_100011215890 [0,2,0,0,0,0|2,0,0]=4 4739 B12R0.239 CCOCCN(C)CC(=O)OCC 2230a_100000220588_100011215890 [0,2,0,0,0,0|2,0,0]=4 4740 B12R0.239 CCOCSC(C)CC(=O)OCC 62a_100000739092_100009817359 [0,2,0,0,0,0|1,0,0]=3 4741 B12R0.239 CCOCSC(C)CC(=O)OCC 62a_100009817359_100000739092 [0,2,0,0,0,0|1,0,0]=3 4742 B12R0.239 CCOCSC(C)OC(=O)OCC 62a_100000036008_100000739092 [0,2,0,0,0,0|2,0,0]=4 4743 B12R0.239 CCOCSC(C)OC(=O)OCC 62a_100000739092_100000036008 [0,2,0,0,0,0|2,0,0]=4 4744 B12R0.283 C=C(C)CCC(=O)CC(=O)OCC 1458a_100000243816_100000730704 [0,2,0,0,0,0|0,0,2]=4 4745 B12R0.283 C=C(C)CCC(=O)CC(=O)OCC 1458a_200000688413_100000188475 [0,2,0,0,0,0|0,0,2]=4 4746 B12R0.283 C=C(C)CCC(=O)CC(C)CCC 1458a_100000748435_100000730704 [0,2,0,0,0,0|2,0,0]=4 4747 B12R0.283 C=C(C)CCC(=O)CC(C)CCC 1458a_200000688413_100011216630 [0,2,0,0,0,0|2,0,0]=4 4748 B12R0.283 C=C(C)CCN(C)CC(=O)OCC 2230a_100000220588_100000730704 [0,2,0,0,0,0|2,0,0]=4 4749 B12R0.283 C=C(C)CNC(=O)CC(C)CCC 11a_100000765925_100000748435 [0,2,0,0,0,0|2,0,0]=4 4750 B12R0.283 C=C(C)CNC(=O)CC(C)CCC 1626a_100000765925_100000748435 [0,2,0,0,0,0|2,0,0]=4 4751 B12R0.283 C=C(C)CNC(=O)CC(C)CCC 240690a_100000765925_100000748435 [0,2,0,0,0,0|2,0,0]=4 4752 B12R0.283 C=C(C)CNC(=O)CC(C)CCC 527a_100000765925_100000748435 [0,2,0,0,0,0|2,0,0]=4 4753 B12R0.283 C=C(C)CO[C@H](C)CC(=O)OCC 7a_100009816390_100000748629 [0,2,0,0,0,0|1,0,1]=4 4754 B12R0.283 C=C(C)CSC(C)CC(=O)OCC 62a_100000748629_100009817359 [0,2,0,0,0,0|1,0,1]=4 4755 B12R0.283 C=C(C)CSC(C)CC(=O)OCC 62a_100009817359_100000211660 [0,2,0,0,0,0|1,0,1]=4 4756 B12R0.283 CCCC(=O)CC(=O)COC(C)C 1458a_100000745533_100000747444 [0,2,0,0,0,0|0,0,2]=4 4757 B12R0.283 CCCC(C)CC(=O)C=CC(C)C 1458a_100016268746_100011216630 [0,2,0,0,0,0|2,0,0]=4 4758 B12R0.283 CCCC(C)CC(=O)CCC(C)C 1458a_100000181311_100011216630 [0,2,0,0,0,0|2,0,0]=4 4759 B12R0.283 CCCC(C)CC(=O)CCC(C)C 1458a_100000748435_100000210312 [0,2,0,0,0,0|2,0,0]=4 4760 B12R0.283 CCCC(C)CC(=O)CCC(C)O 1458a_100000748435_100012276601 [0,2,0,0,0,0|2,0,0]=4 4761 B12R0.283 CCCC(C)CC(=O)CC[S+](C)C 1458a_100009452791_100011216630 [0,2,0,0,0,0|2,0,0]=4 4762 B12R0.283 CCCC(C)CC(=O)COC(=O)C 1458a_100000183556_100011216630 [0,2,0,0,0,0|1,0,1]=4 4763 B12R0.283 CCCC(C)CC(=O)COC(C)C 1458a_100000745533_100011216630 [0,2,0,0,0,0|1,0,0]=3 4764 B12R0.283 CCCC(C)CC(=O)COC(F)F 1458a_200000719455_100011216630 [0,2,0,0,0,0|2,0,0]=4 4765 B12R0.283 CCCC(C)CC(=O)CSC(C)C 1458a_100000241585_100011216630 [0,2,0,0,0,0|1,1,0]=4 4766 B12R0.283 CCCC(C)CC(=O)NCC(C)C 11a_100000210953_100000748435 [0,2,0,0,0,0|2,0,0]=4 4767 B12R0.283 CCCC(C)CC(=O)NCC(C)C 1626a_100000210953_100000748435 [0,2,0,0,0,0|2,0,0]=4 4768 B12R0.283 CCCC(C)CC(=O)NCC(C)C 240690a_100000210953_100000748435 [0,2,0,0,0,0|2,0,0]=4 4769 B12R0.283 CCCC(C)CC(=O)NCC(C)C 527a_100000210953_100000748435 [0,2,0,0,0,0|2,0,0]=4 4770 B12R0.283 CCCC(C)CC(=O)NCC(C)O 11a_100000210904_100000748435 [0,2,0,0,0,0|2,0,0]=4 4771 B12R0.283 CCCC(C)CC(=O)NCC(C)O 240690a_100000210904_100000748435 [0,2,0,0,0,0|2,0,0]=4 4772 B12R0.283 CCCC(C)CC(=O)NCC(C)O 527a_100000210904_100000748435 [0,2,0,0,0,0|2,0,0]=4 4773 B12R0.283 CCCC(C)CC(=O)NCC(F)F 11a_100000765723_100000748435 [0,2,0,0,0,0|2,0,0]=4 4774 B12R0.283 CCCC(C)CC(=O)NCC(F)F 1626a_100000765723_100000748435 [0,2,0,0,0,0|2,0,0]=4 4775 B12R0.283 CCCC(C)CC(=O)NCC(F)F 240690a_100000765723_100000748435 [0,2,0,0,0,0|2,0,0]=4 4776 B12R0.283 CCCC(C)CC(=O)NCC(F)F 527a_100000765723_100000748435 [0,2,0,0,0,0|2,0,0]=4 4777 B12R0.283 CCCC(C)CC(=O)NNC(C)C 22a_100000741168_100000748435 [0,2,0,0,0,0|2,0,0]=4 4778 B12R0.283 CCCC(C)NC(=O)COC(C)C 11a_100000741246_100000745533 [0,2,0,0,0,0|2,0,0]=4 4779 B12R0.283 CCCC(C)NC(=O)COC(C)C 1626a_100000741246_100000745533 [0,2,0,0,0,0|2,0,0]=4 4780 B12R0.283 CCCC(C)NC(=O)COC(C)C 240690a_100000741246_100000745533 [0,2,0,0,0,0|2,0,0]=4 4781 B12R0.283 CCCC(C)NC(=O)COC(C)C 527a_100000741246_100000745533 [0,2,0,0,0,0|2,0,0]=4 4782 B12R0.283 CCOC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000188475 [0,2,0,0,0,0|0,0,2]=4 4783 B12R0.283 CCOC(=O)CC(=O)CCC(C)C 1458a_100000243816_100000210312 [0,2,0,0,0,0|0,0,2]=4 4784 B12R0.283 CCOC(=O)CC(=O)CCC(C)O 1458a_100000243816_100012276601 [0,2,0,0,0,0|0,0,2]=4 4785 B12R0.283 CCOC(=O)CC(=O)CC[S+](C)C 1458a_100009452791_100000188475 [0,2,0,0,0,0|0,0,2]=4 4786 B12R0.283 CCOC(=O)CC(=O)COC(C)C 1458a_100000745533_100000188475 [0,2,0,0,0,0|0,0,2]=4 4787 B12R0.283 CCOC(=O)CC(=O)CSC(C)C 1458a_100000241585_100000188475 [0,2,0,0,0,0|0,0,2]=4 4788 B12R0.283 CCOC(=O)CC(=O)CSC(C)C 62a_100000210206_100000210311 [0,2,0,0,0,0|0,0,2]=4 4789 B12R0.283 CCOC(=O)CC(=O)CSC(C)C 62a_100000210311_100000210206 [0,2,0,0,0,0|0,0,2]=4 4790 B12R0.283 CCOC(=O)CC(=O)NCC(C)C 240690a_100000210953_100000243816 [0,2,0,0,0,0|0,0,2]=4 4791 B12R0.283 CCOC(=O)CC(=O)NCC(C)O 240690a_100000210904_100000243816 [0,2,0,0,0,0|0,0,2]=4 4792 B12R0.283 CCOC(=O)CC(C)NCC(C)C 2230a_100000210953_100009817359 [0,2,0,0,0,0|1,0,0]=3 4793 B12R0.283 CCOC(=O)CC(C)NCC(C)O 2230a_100000210904_100009817359 [0,2,0,0,0,0|1,0,0]=3 4794 B12R0.283 CCOC(=O)CC(C)SCC(C)C 62a_100000210624_100009817359 [0,2,0,0,0,0|1,0,0]=3 4795 B12R0.283 CCOC(=O)CC(C)SCC(C)C 62a_100009817359_100000210760 [0,2,0,0,0,0|1,0,0]=3 4796 B12R0.283 CCOC(=O)CC(C)SCC(C)O 62a_100009817359_100011218427 [0,2,0,0,0,0|1,0,0]=3 4797 B12R0.283 CCOC(=O)CC(C)SCC(C)O 62a_100011218427_100009817359 [0,2,0,0,0,0|1,0,0]=3 4798 B12R0.283 CCOC(=O)CC(C)SCC(F)F 62a_100009817359_100011934356 [0,2,0,0,0,0|2,0,0]=4 4799 B12R0.283 CCOC(=O)CC(C)SCC(F)F 62a_100011934356_100009817359 [0,2,0,0,0,0|2,0,0]=4 4800 B12R0.283 CCOC(=O)CC(C)SC[C@@H](C)O 62a_100009817359_100009817552 [0,2,0,0,0,0|1,0,0]=3 4801 B12R0.283 CCOC(=O)CC(C)SC[C@@H](C)O 62a_100009817552_100009817359 [0,2,0,0,0,0|1,0,0]=3 4802 B12R0.283 CCOC(=O)CN(C)CCC(C)C 2230a_100000220588_100000210312 [0,2,0,0,0,0|2,0,0]=4 4803 B12R0.283 CCOC(=O)CN(C)CCC(C)C 2230a_100000742789_100000188475 [0,2,0,0,0,0|2,0,0]=4 4804 B12R0.283 CCOC(=O)CN(C)CCC(C)C 269982a_100000742789_100000188475 [0,2,0,0,0,0|2,0,0]=4 4805 B12R0.283 CCOC(=O)CN(C)CCC(C)O 2230a_100000220588_100012276601 [0,2,0,0,0,0|2,0,0]=4 4806 B12R0.283 CCOC(=O)CN(C)CCN(C)C 269982a_100000225618_100000188475 [0,2,0,0,0,0|2,0,0]=4 4807 B12R0.283 CCOC(=O)CN(C)COC(C)C 2230a_100000220588_100000709892 [0,2,0,0,0,0|2,0,0]=4 4808 B12R0.283 CCOC(=O)C[C@@H](C)OCC(C)C 7a_100009816390_100000210760 [0,2,0,0,0,0|1,0,0]=3 4809 B12R0.283 CCOC(=O)C[C@@H](C)OCC(C)O 7a_100009816390_100011218427 [0,2,0,0,0,0|1,0,0]=3 4810 B12R0.283 CCOC(=O)C[C@@H](C)OCC(F)F 7a_100009816390_100011934356 [0,2,0,0,0,0|2,0,0]=4 4811 B12R0.283 CCOC(=O)C[C@@H](C)OC[C@@H](C)O 7a_100009816390_100009817552 [0,2,0,0,0,0|1,0,0]=3 4812 B12R0.283 CCOC(=O)C[C@H](O)CNC(C)C 34a_100138425928_100000688340 [0,2,0,0,0,0|0,0,0]=2 4813 B12R0.283 CCOC(=O)C[C@H](O)COC(C)C 34a_100000212225_100000688340 [0,2,0,0,0,0|0,0,0]=2 4814 B12R0.283 CCOC(=O)C[C@H](O)CSC(C)C 62a_100000210206_100000688340 [0,2,0,0,0,0|0,0,0]=2 4815 B12R0.283 CCOC(=O)C[C@H](O)CSC(C)C 62a_100000688340_100000210206 [0,2,0,0,0,0|0,0,0]=2 4816 B12R0.283 CCOC(=O)OC(C)SCC(C)C 62a_100000036008_100000210760 [0,2,0,0,0,0|2,0,0]=4 4817 B12R0.283 CCOC(=O)OC(C)SCC(C)C 62a_100000210624_100000036008 [0,2,0,0,0,0|2,0,0]=4 4818 B12R0.283 CCOC(=O)OC(C)SCC(C)O 62a_100000036008_100011218427 [0,2,0,0,0,0|2,0,0]=4 4819 B12R0.283 CCOC(=O)OC(C)SCC(C)O 62a_100011218427_100000036008 [0,2,0,0,0,0|2,0,0]=4 4820 B12R0.283 CCOC(=O)OC(C)SC[C@@H](C)O 62a_100000036008_100009817552 [0,2,0,0,0,0|2,0,0]=4 4821 B12R0.283 CCOC(=O)OC(C)SC[C@@H](C)O 62a_100009817552_100000036008 [0,2,0,0,0,0|2,0,0]=4 4822 B12R0.353 CCCCC(=O)C(C)C(=O)OCC 1458a_100000210183_100011216346 [0,2,0,0,0,0|0,0,2]=4 4823 B12R0.353 CCCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000210211 [0,2,0,0,0,0|0,0,2]=4 4824 B12R0.353 CCCCC(=O)C(F)C(=O)OCC 1458a_100000210183_100000760018 [0,2,0,0,0,0|0,0,2]=4 4825 B12R0.353 CCCCN(C)C(C)C(=O)OCC 2230a_100000207549_100011215307 [0,2,0,0,0,0|2,0,0]=4 4826 B12R0.353 CCCCN(C)C(C)C(=O)OCC 269982a_100000207549_100011216346 [0,2,0,0,0,0|2,0,0]=4 4827 B12R0.353 CCCCN(C)C(F)C(=O)OCC 2230a_100000207549_100000760018 [0,2,0,0,0,0|2,0,0]=4 4828 B12R0.353 CCCCN(C)C(F)C(=O)OCC 269982a_100000207549_100000760018 [0,2,0,0,0,0|2,0,0]=4 4829 B12R0.353 CCCNC(=O)C(C)C(=O)OCC 11a_100020643023_100132301724 [0,2,0,0,0,0|0,0,2]=4 4830 B12R0.353 CCCNC(=O)C(C)C(=O)OCC 1626a_100020643023_100132301724 [0,2,0,0,0,0|0,0,2]=4 4831 B12R0.353 CCCNC(=O)C(C)C(=O)OCC 240690a_100020643023_100132301724 [0,2,0,0,0,0|0,0,2]=4 4832 B12R0.353 CCCNC(=O)C(C)C(=O)OCC 527a_100020643023_100132301724 [0,2,0,0,0,0|0,0,2]=4 4833 B12R0.353 CCCOC(=O)C(C)C(=O)CCC 1458a_100000211992_100000760410 [0,2,0,0,0,0|0,0,2]=4 4834 B12R0.353 CCCOC(=O)C(C)N(C)CCC 2230a_100000747261_100000760410 [0,2,0,0,0,0|2,0,0]=4 4835 B12R0.353 CCCOC(=O)C(C)N(C)CCC 269982a_100000747261_100000760410 [0,2,0,0,0,0|2,0,0]=4 4836 B12R0.353 CCCSC(C)C(=O)C(=O)OCC 62a_100000210303_100010256902 [0,2,0,0,0,0|1,0,1]=4 4837 B12R0.353 CCCSC(C)C(=O)C(=O)OCC 62a_100010256902_100000210303 [0,2,0,0,0,0|1,0,1]=4 4838 B12R0.353 CCOC(=O)C(C)C(=O)CCCF 1458a_100132301724_100011934791 [0,2,0,0,0,0|0,0,2]=4 4839 B12R0.353 CCOC(=O)C(C)C(=O)CCCO 1458a_100132301724_100011215043 [0,2,0,0,0,0|0,0,2]=4 4840 B12R0.353 CCOC(=O)C(C)C(=O)CCOC 1458a_100000749529_100011216346 [0,2,0,0,0,0|0,0,2]=4 4841 B12R0.353 CCOC(=O)C(C)C(=O)CCOC 1458a_100132301724_100000233755 [0,2,0,0,0,0|0,0,2]=4 4842 B12R0.353 CCOC(=O)C(C)C(=O)CCSC 1458a_100000174002_100011216346 [0,2,0,0,0,0|0,0,2]=4 4843 B12R0.353 CCOC(=O)C(C)C(=O)CCSC 1458a_100132301724_100000751147 [0,2,0,0,0,0|0,0,2]=4 4844 B12R0.353 CCOC(=O)C(C)C(=O)CSCC 1458a_100000230394_100011216346 [0,2,0,0,0,0|0,0,2]=4 4845 B12R0.353 CCOC(=O)C(C)N(C)CCCO 2230a_100000213112_100011215307 [0,2,0,0,0,0|2,0,0]=4 4846 B12R0.353 CCOC(=O)C(C)N(C)CCCO 269982a_100000213112_100011216346 [0,2,0,0,0,0|2,0,0]=4 4847 B12R0.353 CCOC(=O)C(C)N(C)CCOC 2230a_100000743101_100011215307 [0,2,0,0,0,0|2,0,0]=4 4848 B12R0.353 CCOC(=O)C(C)N(C)CCOC 269982a_100000743101_100011216346 [0,2,0,0,0,0|2,0,0]=4 4849 B12R0.353 CCOC(=O)C(C)N(C)CCSC 2230a_100000686725_100011215307 [0,2,0,0,0,0|2,0,0]=4 4850 B12R0.353 CCOC(=O)C(C)N(C)CCSC 269982a_100000686725_100011216346 [0,2,0,0,0,0|2,0,0]=4 4851 B12R0.353 CCOC(=O)C(F)C(=O)CCOC 1458a_100000749529_100000760018 [0,2,0,0,0,0|0,0,2]=4 4852 B12R0.353 CCOC(=O)C(F)C(=O)CCSC 1458a_100000174002_100000760018 [0,2,0,0,0,0|0,0,2]=4 4853 B12R0.353 CCOC(=O)C(F)C(=O)CSCC 1458a_100000230394_100000760018 [0,2,0,0,0,0|0,0,2]=4 4854 B12R0.353 CCOC(=O)C(F)N(C)CCCO 2230a_100000213112_100000760018 [0,2,0,0,0,0|2,0,0]=4 4855 B12R0.353 CCOC(=O)C(F)N(C)CCCO 269982a_100000213112_100000760018 [0,2,0,0,0,0|2,0,0]=4 4856 B12R0.353 CCOC(=O)C(F)N(C)CCOC 2230a_100000743101_100000760018 [0,2,0,0,0,0|2,0,0]=4 4857 B12R0.353 CCOC(=O)C(F)N(C)CCOC 269982a_100000743101_100000760018 [0,2,0,0,0,0|2,0,0]=4 4858 B12R0.353 CCOC(=O)C(F)N(C)CCSC 2230a_100000686725_100000760018 [0,2,0,0,0,0|2,0,0]=4 4859 B12R0.353 CCOC(=O)C(F)N(C)CCSC 269982a_100000686725_100000760018 [0,2,0,0,0,0|2,0,0]=4 4860 B12R0.353 CCOCC(=O)C(C)C(=O)OCC 1458a_100000211967_100011216346 [0,2,0,0,0,0|0,0,2]=4 4861 B12R0.353 CCOCC(=O)C(F)C(=O)OCC 1458a_100000211967_100000760018 [0,2,0,0,0,0|0,0,2]=4 4862 B12R0.453 C#CCCC(=O)CC(C)(O)CCC 1458a_100011667670_100000753159 [0,2,0,0,0,0|1,0,1]=4 4863 B12R0.453 C#CCNC(=O)CC(C)(O)CCC 240690a_100000212058_100011667670 [0,2,0,0,0,0|1,0,1]=4 4864 B12R0.453 C#CCNC(=O)CC(C)(O)CCC 527a_100000212058_100011667670 [0,2,0,0,0,0|1,0,1]=4 4865 B12R0.453 C/C=C/CC(=O)CC(C)(O)CCC 1458a_100011667670_100102629194 [0,2,0,0,0,0|1,0,1]=4 4866 B12R0.453 C=CCCC(=O)CC(C)(O)CCC 1458a_100011667670_100000754431 [0,2,0,0,0,0|1,0,1]=4 4867 B12R0.453 C=CCNC(=O)CC(C)(O)CCC 240690a_100020586998_100011667670 [0,2,0,0,0,0|1,0,1]=4 4868 B12R0.453 C=CCNC(=O)CC(C)(O)CCC 527a_100020586998_100011667670 [0,2,0,0,0,0|1,0,1]=4 4869 B12R0.453 CC#CCC(=O)CC(C)(O)CCC 1458a_100011667670_100000748600 [0,2,0,0,0,0|1,0,1]=4 4870 B12R0.453 CC=CCC(=O)CC(C)(O)CCC 1458a_100011667670_100000070051 [0,2,0,0,0,0|1,0,1]=4 4871 B12R0.453 CCCC(C)(O)CC(=O)CCC#N 1458a_100011667670_100011215226 [0,2,0,0,0,0|1,0,1]=4 4872 B12R0.453 CCCC(C)(O)CC(=O)CCCF 1458a_100011667670_100011934791 [0,2,0,0,0,0|1,0,0]=3 4873 B12R0.453 CCCC(C)(O)CC(=O)CCCO 1458a_100011667670_100011215043 [0,2,0,0,0,0|1,0,0]=3 4874 B12R0.453 CCCC(C)(O)CC(=O)CCOC 1458a_100011667670_100000233755 [0,2,0,0,0,0|1,0,0]=3 4875 B12R0.453 CCCC(C)(O)CC(=O)CCSC 1458a_100011667670_100000751147 [0,2,0,0,0,0|1,0,0]=3 4876 B12R0.453 CCCC(C)(O)CC(=O)NCC#N 527a_100000734998_100011667670 [0,2,0,0,0,0|1,0,1]=4 4877 B12R0.453 CCCC(C)(O)CC(=O)NCCF 240690a_100000724931_100011667670 [0,2,0,0,0,0|1,0,0]=3 4878 B12R0.453 CCCC(C)(O)CC(=O)NCCF 527a_100000724931_100011667670 [0,2,0,0,0,0|1,0,0]=3 4879 B12R0.453 CCCC(C)(O)CC(=O)NCCO 240690a_100000210304_100011667670 [0,2,0,0,0,0|1,0,0]=3 4880 B12R0.453 CCCC(C)(O)CC(=O)NCCO 527a_100000210304_100011667670 [0,2,0,0,0,0|1,0,0]=3 4881 B12R0.453 CCCC(C)(O)CC(=O)NNCC 22a_100000756455_100011667670 [0,2,0,0,0,0|1,0,0]=3 4882 B12R0.453 CCCCC(=O)CC(C)(O)CCC 1458a_100011667670_100000210211 [0,2,0,0,0,0|1,0,0]=3 4883 B12R0.453 CCCNC(=O)CC(C)(O)CCC 240690a_100020643023_100011667670 [0,2,0,0,0,0|1,0,0]=3 4884 B12R0.453 CCCNC(=O)CC(C)(O)CCC 527a_100020643023_100011667670 [0,2,0,0,0,0|1,0,0]=3 4885 B12R0.607 CCCC(=O)N[C@H](CO)CCSC 240690a_100011827619_100000211992 [0,2,0,0,0,0|2,0,0]=4 4886 B12R0.607 CCCC(=O)N[C@H](CO)CCSC 527a_100011827619_100000211992 [0,2,0,0,0,0|2,0,0]=4 4887 B12R0.607 CCCCC(CC)CC(=O)CCC 1458a_100000211992_100000211942 [0,2,0,0,0,0|2,0,0]=4 4888 B12R0.607 CCCCN(CC)CC(=O)OCC 2230a_100000207695_100000188475 [0,2,0,0,0,0|2,0,0]=4 4889 B12R0.607 CCCCN(CC)CC(=O)OCC 2230a_100000220607_100000210211 [0,2,0,0,0,0|2,0,0]=4 4890 B12R0.607 CCCCN(CC)CC(=O)OCC 269982a_100000207695_100000188475 [0,2,0,0,0,0|2,0,0]=4 4891 B12R0.607 CCCCN(CC)CC(=O)OCC 269982a_100000220607_100000210211 [0,2,0,0,0,0|2,0,0]=4 4892 B12R0.607 CCCC[C@@H](CO)NC(=O)CCC 240690a_100011934283_100000211992 [0,2,0,0,0,0|2,0,0]=4 4893 B12R0.607 CCCC[C@@H](CO)NC(=O)CCC 527a_100011934283_100000211992 [0,2,0,0,0,0|2,0,0]=4 4894 B12R0.607 CCCC[C@@H](CO)NC(=O)NCC 2708a_100015525214_100011934283 [0,2,0,0,0,0|2,0,0]=4 4895 B12R0.607 CCCC[C@@H](CO)NC(=O)NCC 273464a_100011934283_100015525214 [0,2,0,0,0,0|2,0,0]=4 4896 B12R0.607 CCCC[C@@H](CO)NC(=O)NCC 273464a_100015525214_100011934283 [0,2,0,0,0,0|2,0,0]=4 4897 B12R0.607 CCCC[C@@H](CO)NC(=O)NCC 512a_100011934283_100015525214 [0,2,0,0,0,0|2,0,0]=4 4898 B12R0.607 CCCC[C@@H](CO)NC(=O)NCC 512a_100015525214_100011934283 [0,2,0,0,0,0|2,0,0]=4 4899 B12R0.607 CCCO[C@H](CCl)CC(=O)OCC 7a_100000688340_100000210303 [0,2,0,0,0,0|1,0,0]=3 4900 B12R0.607 CCNC(=O)N[C@H](CO)CCSC 2708a_100015525214_100011827619 [0,2,0,0,0,0|2,0,0]=4 4901 B12R0.607 CCNC(=O)N[C@H](CO)CCSC 273464a_100011827619_100015525214 [0,2,0,0,0,0|2,0,0]=4 4902 B12R0.607 CCNC(=O)N[C@H](CO)CCSC 273464a_100015525214_100011827619 [0,2,0,0,0,0|2,0,0]=4 4903 B12R0.607 CCNC(=O)N[C@H](CO)CCSC 512a_100011827619_100015525214 [0,2,0,0,0,0|2,0,0]=4 4904 B12R0.607 CCNC(=O)N[C@H](CO)CCSC 512a_100015525214_100011827619 [0,2,0,0,0,0|2,0,0]=4 4905 B12R0.607 CCOC(=O)CN(CC)CCCF 2230a_100000220607_100011934791 [0,2,0,0,0,0|2,0,0]=4 4906 B12R0.607 CCOC(=O)CN(CC)CCCF 269982a_100000220607_100011934791 [0,2,0,0,0,0|2,0,0]=4 4907 B12R0.607 CCOC(=O)CN(CC)CCCO 2230a_100000220607_100000230001 [0,2,0,0,0,0|2,0,0]=4 4908 B12R0.607 CCOC(=O)CN(CC)CCCO 269982a_100000220607_100011215043 [0,2,0,0,0,0|2,0,0]=4 4909 B12R0.607 CCOC(=O)CN(CC)CCOC 2230a_100000220607_100011201679 [0,2,0,0,0,0|2,0,0]=4 4910 B12R0.607 CCOC(=O)CN(CC)CCOC 2230a_100000731262_100000188475 [0,2,0,0,0,0|2,0,0]=4 4911 B12R0.607 CCOC(=O)CN(CC)CCOC 269982a_100000220607_100000233755 [0,2,0,0,0,0|2,0,0]=4 4912 B12R0.607 CCOC(=O)CN(CC)CCOC 269982a_100000731262_100000188475 [0,2,0,0,0,0|2,0,0]=4 4913 B12R0.607 CCOC(=O)CN(CC)CCSC 2230a_100000220607_100000751147 [0,2,0,0,0,0|2,0,0]=4 4914 B12R0.607 CCOC(=O)CN(CC)CCSC 269982a_100000220607_100000212216 [0,2,0,0,0,0|2,0,0]=4 4915 B12R0.607 CCOC(=O)C[C@@H](CCl)OCCF 7a_100000688340_100011217306 [0,2,0,0,0,0|2,0,0]=4 4916 B12R0.607 CCOC(=O)C[C@@H](CCl)OCCO 7a_100000688340_100000211926 [0,2,0,0,0,0|2,0,0]=4 4917 B12R0.607 CCOCN(CC)CC(=O)OCC 269982a_100000220607_100000739092 [0,2,0,0,0,0|2,0,0]=4 4918 B12R0.661 CCCNS(=O)(=O)CC(=O)OCC 270084a_100020643023_100000738689 [0,2,0,0,0,0|1,0,1]=4 4919 B12R0.661 CCCNS(=O)(=O)CC(=O)OCC 274078a_100020643023_100000738689 [0,2,0,0,0,0|1,0,1]=4 4920 B12R0.661 CCCOC(C)(C)CC(=O)OCC 7a_100000765344_100000210303 [0,2,0,0,0,0|1,0,0]=3 4921 B12R0.661 CCOC(=O)CC(C)(C)OCCF 7a_100000765344_100011217306 [0,2,0,0,0,0|2,0,0]=4 4922 B12R0.661 CCOC(=O)CC(C)(C)OCCO 7a_100000765344_100000211926 [0,2,0,0,0,0|2,0,0]=4 4923 B12R0.8 CCCC(=O)C(CC)C(=O)OCC 1458a_100000211992_100000212269 [0,2,0,0,0,0|0,0,2]=4 4924 B12R0.8 CCCC(=O)C(SC)C(=O)OCC 1458a_100000211992_100009893047 [0,2,0,0,0,0|0,0,2]=4 4925 B12R0.8 CCCN(C)C(CC)C(=O)OCC 2230a_100000747261_100000212269 [0,2,0,0,0,0|2,0,0]=4 4926 B12R0.8 CCCN(C)C(CC)C(=O)OCC 269982a_100000747261_100000212269 [0,2,0,0,0,0|2,0,0]=4 4927 B12R0.8 CCCN(C)C(SC)C(=O)OCC 269982a_100000747261_100009893047 [0,2,0,0,0,0|2,0,0]=4 4928 B12R0.192 CCCN(CC)C(C)C(=O)OCC 2230a_100000226822_100011215307 [0,2,0,0,0,0|2,0,0]=4 4929 B12R0.192 CCCN(CC)C(C)C(=O)OCC 269982a_100000226822_100011216346 [0,2,0,0,0,0|2,0,0]=4 4930 B12R0.192 CCCN(CC)C(F)C(=O)OCC 2230a_100000226822_100000760018 [0,2,0,0,0,0|2,0,0]=4 4931 B12R0.192 CCCN(CC)C(F)C(=O)OCC 269982a_100000226822_100000760018 [0,2,0,0,0,0|2,0,0]=4 4932 B12R0.196 CCOC(=O)C(C)C(=O)C(C)CC 1458a_100011192722_100011216346 [0,2,0,0,0,0|0,0,2]=4 4933 B12R0.196 CCOC(=O)C(C)C(=O)C(C)CC 1458a_100132301724_100000758301 [0,2,0,0,0,0|0,0,2]=4 4934 B12R0.196 CCOC(=O)C(C)C(=O)C(O)CC 1458a_100011196387_100011216346 [0,2,0,0,0,0|0,0,2]=4 4935 B12R0.196 CCOC(=O)C(C)N(C)C(C)CC 2230a_100000741768_100011215307 [0,2,0,0,0,0|2,0,0]=4 4936 B12R0.196 CCOC(=O)C(C)N(C)C(C)CC 269982a_100000741768_100011216346 [0,2,0,0,0,0|2,0,0]=4 4937 B12R0.196 CCOC(=O)C(F)C(=O)C(C)CC 1458a_100011192722_100000760018 [0,2,0,0,0,0|0,0,2]=4 4938 B12R0.196 CCOC(=O)C(F)C(=O)C(O)CC 1458a_100011196387_100000760018 [0,2,0,0,0,0|0,0,2]=4 4939 B12R0.196 CCOC(=O)C(F)N(C)C(C)CC 2230a_100000741768_100000760018 [0,2,0,0,0,0|2,0,0]=4 4940 B12R0.196 CCOC(=O)C(F)N(C)C(C)CC 269982a_100000741768_100000760018 [0,2,0,0,0,0|2,0,0]=4 4941 B12R0.731 CCCC(=O)C(C)(C)C(=O)OCC 1458a_100000694683_100000210303 [0,2,0,0,0,0|0,0,2]=4 4942 B12R0.731 CCCC(=O)C(C)(O)C(=O)OCC 1458a_200009913003_100000210303 [0,2,0,0,0,0|0,0,2]=4 4943 B12R0.731 CCCN(C)C(C)(C)C(=O)OCC 2230a_100000747261_100011216345 [0,2,0,0,0,0|2,0,0]=4 4944 B12R0.731 CCCN(C)C(C)(C)C(=O)OCC 269982a_100000747261_100048669870 [0,2,0,0,0,0|2,0,0]=4 4945 B12R0.731 CCCN(C)C(F)(F)C(=O)OCC 269982a_100000747261_100000210910 [0,2,0,0,0,0|2,0,0]=4 4946 B12R0.731 CCOC(=O)C(C)(C)C(C)OCC 7a_100011668300_100000210202 [0,2,0,0,0,0|2,0,0]=4 4947 B12R0.15 CCCC(=O)N[C@H](CO)[C@@H](C)CC 240690a_100011827617_100000211992 [0,2,0,0,0,0|2,0,0]=4 4948 B12R0.15 CCCC(=O)N[C@H](CO)[C@@H](C)CC 527a_100011827617_100000211992 [0,2,0,0,0,0|2,0,0]=4 4949 B12R0.15 CCNC(=O)N[C@H](CO)[C@@H](C)CC 2708a_100015525214_100011827617 [0,2,0,0,0,0|2,0,0]=4 4950 B12R0.15 CCNC(=O)N[C@H](CO)[C@@H](C)CC 273464a_100011827617_100015525214 [0,2,0,0,0,0|2,0,0]=4 4951 B12R0.15 CCNC(=O)N[C@H](CO)[C@@H](C)CC 273464a_100015525214_100011827617 [0,2,0,0,0,0|2,0,0]=4 4952 B12R0.15 CCNC(=O)N[C@H](CO)[C@@H](C)CC 512a_100011827617_100015525214 [0,2,0,0,0,0|2,0,0]=4 4953 B12R0.15 CCNC(=O)N[C@H](CO)[C@@H](C)CC 512a_100015525214_100011827617 [0,2,0,0,0,0|2,0,0]=4 4954 B12R0.15 CCOC(=O)CN(CC)C(C)CC 2230a_100000220607_100000758301 [0,2,0,0,0,0|2,0,0]=4 4955 B12R0.15 CCOC(=O)CN(CC)C(C)CC 2230a_100000732650_100000188475 [0,2,0,0,0,0|2,0,0]=4 4956 B12R0.15 CCOC(=O)CN(CC)C(C)CC 269982a_100000220607_100000758301 [0,2,0,0,0,0|2,0,0]=4 4957 B12R0.15 CCOC(=O)CN(CC)C(C)CC 269982a_100000732650_100000188475 [0,2,0,0,0,0|2,0,0]=4 4958 B12R0.19 CCCN(CC(=O)OCC)C(=O)C 11a_100000221057_100015343762 [0,2,0,0,0,0|1,0,1]=4 4959 B12R0.19 CCCN(CC(=O)OCC)C(=O)C 1626a_100000221057_100015343762 [0,2,0,0,0,0|1,0,1]=4 4960 B12R0.19 CCCN(CC(=O)OCC)C(=O)C 240690a_100000221057_100015343762 [0,2,0,0,0,0|1,0,1]=4 4961 B12R0.19 CCCN(CC(=O)OCC)C(=O)C 527a_100000221057_100103153847 [0,2,0,0,0,0|1,0,1]=4 4962 B12R0.19 CCCN(CC(=O)OCC)C(C)C 2230a_100000221057_100000210206 [0,2,0,0,0,0|2,0,0]=4 4963 B12R0.19 CCCN(CC(=O)OCC)C(C)C 2230a_100000717205_100000210303 [0,2,0,0,0,0|2,0,0]=4 4964 B12R0.19 CCCN(CC(=O)OCC)C(C)C 2230a_106256033942_100000188475 [0,2,0,0,0,0|2,0,0]=4 4965 B12R0.19 CCCN(CC(=O)OCC)C(C)C 269982a_100000221057_100000210206 [0,2,0,0,0,0|2,0,0]=4 4966 B12R0.19 CCCN(CC(=O)OCC)C(C)C 269982a_100000717205_100000210303 [0,2,0,0,0,0|2,0,0]=4 4967 B12R0.19 CCCN(CC(=O)OCC)C(C)C 269982a_106256033942_100000188475 [0,2,0,0,0,0|2,0,0]=4 4968 B12R0.22 C#CCN(CCC)CC(=O)OCC 2230a_100000221057_100000038162 [0,2,0,0,0,0|2,0,0]=4 4969 B12R0.22 C=CCN(CCC)CC(=O)OCC 2230a_100000221057_100000210623 [0,2,0,0,0,0|2,0,0]=4 4970 B12R0.22 C=CCN(CCC)CC(=O)OCC 269982a_100000221057_100000210623 [0,2,0,0,0,0|2,0,0]=4 4971 B12R0.22 CCCC(=O)CC(OCC)OCC 1458a_100000082722_100000210303 [0,2,0,0,0,0|2,0,0]=4 4972 B12R0.22 CCCC(=O)CC(OCC)OCC 1458a_100000211992_100000210512 [0,2,0,0,0,0|2,0,0]=4 4973 B12R0.22 CCCC(=O)CN(CCC)CCO 2230a_100000211420_100000747444 [0,2,0,0,0,0|2,0,0]=4 4974 B12R0.22 CCCC(=O)CN(CCC)CCO 269982a_100000211420_100000747444 [0,2,0,0,0,0|2,0,0]=4 4975 B12R0.22 CCCC(=O)N[C@@H](CCC)CCO 240690a_100015193777_100000211992 [0,2,0,0,0,0|2,0,0]=4 4976 B12R0.22 CCCC(=O)N[C@@H](CCC)CCO 527a_100015193777_100000211992 [0,2,0,0,0,0|2,0,0]=4 4977 B12R0.22 CCCC(CC(=O)OCC)OCC 7a_100011216533_100000210202 [0,2,0,0,0,0|0,0,0]=2 4978 B12R0.22 CCCC(CC(=O)OCC)OCF 7a_100011216533_100015361967 [0,2,0,0,0,0|0,0,0]=2 4979 B12R0.22 CCCN(CC#N)CC(=O)OCC 2230a_100000221057_100011215382 [0,2,0,0,0,0|2,0,0]=4 4980 B12R0.22 CCCN(CC#N)CC(=O)OCC 269982a_100000221057_100011214920 [0,2,0,0,0,0|2,0,0]=4 4981 B12R0.22 CCCN(CC=O)CC(=O)OCC 2230a_100000221057_200015260668 [0,2,0,0,0,0|1,0,1]=4 4982 B12R0.22 CCCN(CC=O)CC(=O)OCC 269982a_100000221057_200015260668 [0,2,0,0,0,0|1,0,1]=4 4983 B12R0.22 CCCN(CCC)CC(=O)OCC 2230a_100000210455_100000188475 [0,2,0,0,0,0|2,0,0]=4 4984 B12R0.22 CCCN(CCC)CC(=O)OCC 2230a_100000221057_100000210303 [0,2,0,0,0,0|2,0,0]=4 4985 B12R0.22 CCCN(CCC)CC(=O)OCC 269982a_100000210455_100000188475 [0,2,0,0,0,0|2,0,0]=4 4986 B12R0.22 CCCN(CCC)CC(=O)OCC 269982a_100000221057_100000210303 [0,2,0,0,0,0|2,0,0]=4 4987 B12R0.22 CCCN(CCF)CC(=O)OCC 2230a_100000221057_100011217306 [0,2,0,0,0,0|2,0,0]=4 4988 B12R0.22 CCCN(CCF)CC(=O)OCC 269982a_100000221057_100011217306 [0,2,0,0,0,0|2,0,0]=4 4989 B12R0.22 CCCN(CCO)CC(=O)NCC 2230a_100000211420_100000183381 [0,2,0,0,0,0|2,0,0]=4 4990 B12R0.22 CCCN(CCO)CC(=O)NCC 269982a_100000211420_100000183381 [0,2,0,0,0,0|2,0,0]=4 4991 B12R0.22 CCCN(CCO)CC(=O)OCC 2230a_100000211420_100000188475 [0,2,0,0,0,0|1,0,0]=3 4992 B12R0.22 CCCN(CCO)CC(=O)OCC 2230a_100000221057_100000211926 [0,2,0,0,0,0|1,0,0]=3 4993 B12R0.22 CCCN(CCO)CC(=O)OCC 269982a_100000211420_100000188475 [0,2,0,0,0,0|1,0,0]=3 4994 B12R0.22 CCCN(CCO)CC(=O)OCC 269982a_100000221057_100000211926 [0,2,0,0,0,0|1,0,0]=3 4995 B12R0.22 CCCN(COC)CC(=O)OCC 2230a_100000221057_100000766300 [0,2,0,0,0,0|1,0,0]=3 4996 B12R0.22 CCCN(COC)CC(=O)OCC 269982a_100000221057_100000766300 [0,2,0,0,0,0|1,0,0]=3 4997 B12R0.22 CCCN(CSC)CC(=O)OCC 2230a_100000221057_100011218213 [0,2,0,0,0,0|1,1,0]=4 4998 B12R0.22 CCCN(CSC)CC(=O)OCC 269982a_100000221057_100011218213 [0,2,0,0,0,0|1,1,0]=4 4999 B12R0.22 CCC[C@@H](CCO)NC(=O)NCC 2708a_100015525214_100015193777 [0,2,0,0,0,0|2,0,0]=4 5000 B12R0.22 CCC[C@@H](CCO)NC(=O)NCC 273464a_100015193777_100015525214 [0,2,0,0,0,0|2,0,0]=4 5001 B12R0.22 CCC[C@@H](CCO)NC(=O)NCC 273464a_100015525214_100015193777 [0,2,0,0,0,0|2,0,0]=4 5002 B12R0.22 CCC[C@@H](CCO)NC(=O)NCC 512a_100015193777_100015525214 [0,2,0,0,0,0|2,0,0]=4 5003 B12R0.22 CCC[C@@H](CCO)NC(=O)NCC 512a_100015525214_100015193777 [0,2,0,0,0,0|2,0,0]=4 5004 B12R0.22 CCNC(=O)CC(OCC)OCC 11a_100015525214_100000082722 [0,2,0,0,0,0|2,0,0]=4 5005 B12R0.22 CCNC(=O)CC(OCC)OCC 240690a_100015525214_100000082722 [0,2,0,0,0,0|2,0,0]=4 5006 B12R0.22 CCNC(=O)CC(OCC)OCC 527a_100015525214_100000082722 [0,2,0,0,0,0|2,0,0]=4 5007 B12R0.22 CCOC(=O)CN(CCO)CCO 2230a_100000210587_100000188475 [0,2,0,0,0,0|2,0,0]=4 5008 B12R0.22 CCOC(=O)CN(CCO)CCO 269982a_100000210587_100000188475 [0,2,0,0,0,0|2,0,0]=4 5009 B12R0.306 CCC[C@@H](CO)NC(=O)C(C)CC 240690a_100000732646_100011192722 [0,2,0,0,0,0|2,0,0]=4 5010 B12R0.306 CCC[C@@H](CO)NC(=O)C(C)CC 527a_100000732646_100011192722 [0,2,0,0,0,0|2,0,0]=4 5011 B12R0.306 CCC[C@@H](CO)NC(=O)C(O)CC 240690a_100000732646_100011196387 [0,2,0,0,0,0|2,0,0]=4 5012 B12R0.306 CCC[C@@H](CO)NC(=O)N(C)CC 273464a_100000732646_100000225621 [0,2,0,0,0,0|2,0,0]=4 5013 B12R0.71 CCCC(C)CC(=O)C(CC)CC 1458a_100000211163_100011216630 [0,2,0,0,0,0|2,0,0]=4 5014 B12R0.71 CCCC(C)CC(=O)C(CC)CC 1458a_100000748435_100000210505 [0,2,0,0,0,0|2,0,0]=4 5015 B12R0.71 CCCC(C)CC(=O)C(CC)OC 1458a_100000747056_100011216630 [0,2,0,0,0,0|2,0,0]=4 5016 B12R0.71 CCCC(C)CC(=O)N(CC)CC 11a_100000724800_100000748435 [0,2,0,0,0,0|2,0,0]=4 5017 B12R0.71 CCCC(C)CC(=O)N(CC)CC 1626a_100000724800_100000748435 [0,2,0,0,0,0|2,0,0]=4 5018 B12R0.71 CCCC(C)CC(=O)N(CC)CC 240690a_100000724800_100000748435 [0,2,0,0,0,0|2,0,0]=4 5019 B12R0.71 CCCC(C)CC(=O)N(CC)CC 527a_100000724800_100000748435 [0,2,0,0,0,0|2,0,0]=4 5020 B12R0.71 CCOC(=O)CC(=O)C(CC)CC 1458a_100000211163_100000188475 [0,2,0,0,0,0|0,0,2]=4 5021 B12R0.71 CCOC(=O)CC(=O)C(CC)CC 1458a_100000243816_100000210505 [0,2,0,0,0,0|0,0,2]=4 5022 B12R0.71 CCOC(=O)CC(=O)C(CC)OC 1458a_100000747056_100000188475 [0,2,0,0,0,0|0,0,2]=4 5023 B12R0.71 CCOC(=O)CC(C)N(CC)CC 2230a_100000724800_100009817359 [0,2,0,0,0,0|2,0,0]=4 5024 B12R0.71 CCOC(=O)CC(C)N(CC)CC 269956a_100000042499_100009817359 [0,2,0,0,0,0|2,0,0]=4 5025 B12R0.71 CCOC(=O)CC(C)N(CC)CC 269982a_100000724800_100009817359 [0,2,0,0,0,0|2,0,0]=4 5026 B12R0.71 CCOC(=O)CN(C)C(CC)CC 2230a_100000737045_100000188475 [0,2,0,0,0,0|2,0,0]=4 5027 B12R0.71 CCOC(=O)CN(C)C(CC)CC 269982a_100000737045_100000188475 [0,2,0,0,0,0|2,0,0]=4 5028 B12R0.71 CCOC(=O)CN(C)C(CC)CC 270004a_100000220588_100000210860 [0,2,0,0,0,0|2,0,0]=4 5029 B12R0.313 CCCC(C)CC(=O)C(C)(C)CC 1458a_100000749717_100011216630 [0,2,0,0,0,0|2,0,0]=4 5030 B12R0.313 CCCC(C)CC(=O)C(C)(O)CC 1458a_100011219770_100011216630 [0,2,0,0,0,0|2,0,0]=4 5031 B12R0.313 CCCC(C)CC(=O)C(F)(F)CC 1458a_100000061896_100011216630 [0,2,0,0,0,0|2,0,0]=4 5032 B12R0.313 CCOC(=O)CC(=O)C(C)(C)CC 1458a_100000749717_100000188475 [0,2,0,0,0,0|0,0,2]=4 5033 B12R0.313 CCOC(=O)CC(=O)C(C)(O)CC 1458a_100011219770_100000188475 [0,2,0,0,0,0|0,0,2]=4 5034 B12R0.313 CCOC(=O)CC(=O)C(F)(F)CC 1458a_100000061896_100000188475 [0,2,0,0,0,0|0,0,2]=4 5035 B12R0.313 CCOC(=O)CN(C)C(C)(C)CC 2230a_200000755171_100000188475 [0,2,0,0,0,0|2,0,0]=4 5036 B12R0.313 CCOC(=O)CN(C)C(C)(C)CC 269982a_200000755171_100000188475 [0,2,0,0,0,0|2,0,0]=4 5037 B12R0.430 CCCC(C)(O)CC(=O)C(C)CC 1458a_100011667670_100000758301 [0,2,0,0,0,0|1,0,0]=3 5038 B12R0.430 CCCC(C)(O)CC(=O)N(C)CC 240690a_100000225621_100011667670 [0,2,0,0,0,0|1,0,0]=3 5039 B12R0.430 CCCC(C)(O)CC(=O)N(C)CC 527a_100000225621_100011667670 [0,2,0,0,0,0|1,0,0]=3 5040 B10R1.10 CCCN1CCCC(C1)O 2230a_100000211013_100000210303 [1,0,0,1,0,0|2,0,0]=4 5041 B10R1.10 CCCN1CCCC(C1)O 269982a_100000211013_100000210303 [1,0,0,1,0,0|2,0,0]=4 5042 B10R1.10 CCCN1CCNC(=O)C1 2230a_100000184651_100000210303 [1,0,0,1,0,0|2,0,0]=4 5043 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [1,0,0,1,0,0|1,0,0]=3 5044 B10R1.10 CCNC1CCCC(C1)O 2230a_100015190357_100000210202 [1,0,0,1,0,0|1,0,1]=4 5045 B10R1.10 CCNC1CCCC(C1)O 270004a_100015525214_100012613340 [1,0,0,1,0,0|1,0,1]=4 5046 B10R1.10 CCNC1CCNC(=O)C1 2230a_100016994916_100000210202 [1,0,0,1,0,0|2,0,0]=4 5047 B10R1.10 CCNC1CCNC(=O)C1 34a_100016994916_100000210202 [1,0,0,1,0,0|2,0,0]=4 5048 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [1,0,0,1,0,0|2,0,0]=4 5049 B10R1.10 CCOC1CCCC(C1)C 34a_100000211399_100000210202 [1,0,0,1,0,0|1,0,1]=4 5050 B10R1.10 CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210202 [1,0,0,1,0,0|2,0,0]=4 5051 B10R1.10 COCC1CCNC(=O)C1 34a_100009886756_200000210301 [1,0,0,1,0,0|2,0,0]=4 5052 B10R1.10 COCN1CCOC(=O)C1 2230a_100000131268_100000766300 [1,0,0,1,0,0|2,0,0]=4 5053 B10R1.10 CSCN1CCOC(=O)C1 2230a_100000131268_100011218213 [1,0,0,1,0,0|2,0,0]=4 5054 B10R1.10 O=C1CN(CCO1)CCF 2230a_100000131268_100011217306 [1,0,0,1,0,0|2,0,0]=4 5055 B10R1.10 O=C1CN(CCO1)CCO 2230a_100000131268_100000211926 [1,0,0,1,0,0|2,0,0]=4 5056 B10R1.10 [13CH3]OCC1CCNC(=O)C1 34a_100009886756_200025704644 [1,0,0,1,0,0|2,0,0]=4 5057 B10R1.11 CC#CC(=O)C1CCCC1 1458a_100000763181_100000179811 [1,0,0,1,0,0|1,0,1]=4 5058 B10R1.11 CC=CC(=O)C1CCCC1 1458a_100000210699_100000179811 [1,0,0,1,0,0|1,0,1]=4 5059 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000210718_100000210303 [1,0,0,1,0,0|1,0,0]=3 5060 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000211992_100000179811 [1,0,0,1,0,0|1,0,0]=3 5061 B10R1.11 CCCC(=O)C1CCCS1 1458a_100012002731_100000210303 [1,0,0,1,0,0|2,0,0]=4 5062 B10R1.11 CCCC(=O)C1CCOC1 1458a_100000211992_100000690089 [1,0,0,1,0,0|2,0,0]=4 5063 B10R1.11 CCCC(=O)C1CCOC1 1458a_100011219752_100000210303 [1,0,0,1,0,0|2,0,0]=4 5064 B10R1.11 CCCC(=O)N1CCCC1 240690a_100000188435_100000211992 [1,0,0,1,0,0|2,0,0]=4 5065 B10R1.11 CCCC(=O)N1CCCC1 527a_100000188435_100000211992 [1,0,0,1,0,0|2,0,0]=4 5066 B10R1.11 CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210303 [1,0,0,1,0,0|2,0,0]=4 5067 B10R1.11 CCNC(=O)C1CCCC1 11a_100015525214_100000210718 [1,0,0,1,0,0|1,0,0]=3 5068 B10R1.11 CCNC(=O)C1CCCC1 240690a_100015525214_100000210718 [1,0,0,1,0,0|1,0,0]=3 5069 B10R1.11 CCNC(=O)C1CCCC1 527a_100015525214_100000210718 [1,0,0,1,0,0|1,0,0]=3 5070 B10R1.11 CCNC(=O)C1CCCS1 11a_100015525214_100012002731 [1,0,0,1,0,0|2,0,0]=4 5071 B10R1.11 CCNC(=O)C1CCCS1 240690a_100015525214_100012002731 [1,0,0,1,0,0|2,0,0]=4 5072 B10R1.11 CCNC(=O)C1CCCS1 527a_100015525214_100012002731 [1,0,0,1,0,0|2,0,0]=4 5073 B10R1.11 CCNC(=O)C1CCOC1 11a_100015525214_100011219752 [1,0,0,1,0,0|2,0,0]=4 5074 B10R1.11 CCNC(=O)C1CCOC1 240690a_100015525214_100011219752 [1,0,0,1,0,0|2,0,0]=4 5075 B10R1.11 CCNC(=O)C1CCOC1 527a_100015525214_100011219752 [1,0,0,1,0,0|2,0,0]=4 5076 B10R1.11 CCNC(=O)N1CCCC1 2708a_100015525214_100000188435 [1,0,0,1,0,0|2,0,0]=4 5077 B10R1.11 CCNC(=O)N1CCCC1 273464a_100015525214_100000188435 [1,0,0,1,0,0|2,0,0]=4 5078 B10R1.11 CCNC(=O)[C@@H]1CCCO1 11a_100015525214_100000686382 [1,0,0,1,0,0|2,0,0]=4 5079 B10R1.11 CCNC(=O)[C@@H]1CCCO1 240690a_100015525214_100000686382 [1,0,0,1,0,0|2,0,0]=4 5080 B10R1.11 CCNC(=O)[C@@H]1CCCO1 527a_100015525214_100000686382 [1,0,0,1,0,0|2,0,0]=4 5081 B10R1.11 CCOC(C)C1CCCC1 34a_100011216366_100000210202 [1,0,0,1,0,0|1,0,1]=4 5082 B10R1.11 CCOC(C)C1CCCC1 7a_100011216366_100000210202 [1,0,0,1,0,0|1,0,1]=4 5083 B10R1.11 CNNC(=O)C1CCCC1 22a_100016993582_100000210718 [1,0,0,1,0,0|2,0,0]=4 5084 B10R1.11 COCC(=O)C1CCCC1 1458a_100000210968_100000179811 [1,0,0,1,0,0|2,0,0]=4 5085 B10R1.11 CSCC(=O)C1CCCC1 1458a_100000184570_100000179811 [1,0,0,1,0,0|2,0,0]=4 5086 B10R1.11 O=C(CCF)C1CCCC1 1458a_100000210718_100011217306 [1,0,0,1,0,0|2,0,0]=4 5087 B10R1.11 O=C(CCO)C1CCCC1 1458a_100000210718_100000211926 [1,0,0,1,0,0|2,0,0]=4 5088 B10R1.11 O=C(CCO)C1CCCC1 1458a_100011216618_100000179811 [1,0,0,1,0,0|2,0,0]=4 5089 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [1,0,0,1,0,0|2,0,0]=4 5090 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [1,0,0,1,0,0|2,0,0]=4 5091 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [1,0,0,1,0,0|2,0,0]=4 5092 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [1,0,0,1,0,0|2,0,0]=4 5093 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [1,0,0,1,0,0|2,0,0]=4 5094 B10R1.21 CCCNC[C@@H]1CCCO1 2230a_100020590478_100000210303 [1,0,0,1,0,0|2,0,0]=4 5095 B10R1.21 CCCNC[C@@H]1CCCO1 34a_100020590478_100000210303 [1,0,0,1,0,0|2,0,0]=4 5096 B10R1.21 CCCOCC1CCCO1 34a_100000210270_100000210303 [1,0,0,1,0,0|2,0,0]=4 5097 B10R1.21 CCCOCC1CCCO1 7a_100000210270_100000210303 [1,0,0,1,0,0|2,0,0]=4 5098 B10R1.21 CCCSCC1CCCO1 62a_100000203698_100000210303 [1,0,0,1,0,0|2,0,0]=4 5099 B10R1.21 CCCSCC1CCCO1 62a_100000210303_100000203698 [1,0,0,1,0,0|2,0,0]=4 5100 B10R1.21 CCOCCC1CCCC1 34a_100000749090_100000210202 [1,0,0,1,0,0|1,0,1]=4 5101 B10R1.21 CCOCCC1CCCC1 34a_100121572206_100000760354 [1,0,0,1,0,0|1,0,1]=4 5102 B10R1.21 CCOCCC1CCCC1 7a_100000749090_100000210202 [1,0,0,1,0,0|1,0,1]=4 5103 B10R1.21 CCOCCC1OCCO1 34a_100121572206_100000740749 [1,0,0,1,0,0|1,0,1]=4 5104 B10R1.29 CCCNC1CCNC1=O 2230a_100016995588_100000210303 [1,0,0,1,0,0|2,0,0]=4 5105 B10R1.29 CCCNC1CCNC1=O 34a_100016995588_100000210303 [1,0,0,1,0,0|2,0,0]=4 5106 B10R1.29 CCCOC1CCCC1=O 34a_100000210258_100000709159 [1,0,0,1,0,0|2,0,0]=4 5107 B10R1.29 CCCOC1CCCC1=O 34a_200000719330_100000210303 [1,0,0,1,0,0|2,0,0]=4 5108 B10R1.29 CCCOC1CCOC1=O 34a_100000210258_100000211211 [1,0,0,1,0,0|1,0,0]=3 5109 B10R1.29 CCCO[C@H]1CCNC1=O 34a_100000688343_100000210303 [1,0,0,1,0,0|2,0,0]=4 5110 B10R1.29 CCCSC1CCCC1=O 62a_100000210303_100000211823 [1,0,0,1,0,0|2,0,0]=4 5111 B10R1.29 CCCSC1CCCC1=O 62a_100000211823_100000210303 [1,0,0,1,0,0|2,0,0]=4 5112 B10R1.29 CCCSC1CCOC1=O 62a_100000210303_100000211211 [1,0,0,1,0,0|1,0,0]=3 5113 B10R1.29 CCCSC1CCOC1=O 62a_100000211211_100000210303 [1,0,0,1,0,0|1,0,0]=3 5114 B10R1.29 CCCS[C@@H]1CCC[C@H]1O 62a_100000210303_200016002552 [1,0,0,1,0,0|2,0,0]=4 5115 B10R1.29 CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210303 [1,0,0,1,0,0|2,0,0]=4 5116 B10R1.29 CCOCC1CCNC1=O 34a_100000133458_100000210202 [1,0,0,1,0,0|2,0,0]=4 5117 B10R1.29 COCSC1CCOC1=O 62a_100000211211_100000766300 [1,0,0,1,0,0|2,0,0]=4 5118 B10R1.29 COCSC1CCOC1=O 62a_100000766300_100000211211 [1,0,0,1,0,0|2,0,0]=4 5119 B10R1.29 CSCSC1CCOC1=O 62a_100000211211_100011218213 [1,0,0,1,0,0|2,0,0]=4 5120 B10R1.29 CSCSC1CCOC1=O 62a_100011218213_100000211211 [1,0,0,1,0,0|2,0,0]=4 5121 B10R1.29 NCCOC1CCOC1=O 34a_100000210304_100000211211 [1,0,0,1,0,0|2,0,0]=4 5122 B10R1.29 O=C1OCCC1NCCF 34a_100000724931_100000211211 [1,0,0,1,0,0|2,0,0]=4 5123 B10R1.29 O=C1OCCC1NCCO 2230a_100016997473_100000211211 [1,0,0,1,0,0|2,0,0]=4 5124 B10R1.29 O=C1OCCC1NCCO 34a_100016990907_100000211211 [1,0,0,1,0,0|2,0,0]=4 5125 B10R1.29 O=C1OCCC1OCCBr 34a_100000211926_100000211211 [1,0,0,1,0,0|2,0,0]=4 5126 B10R1.29 O=C1OCCC1SCCF 62a_100000211211_100011217306 [1,0,0,1,0,0|2,0,0]=4 5127 B10R1.29 O=C1OCCC1SCCF 62a_100011217306_100000211211 [1,0,0,1,0,0|2,0,0]=4 5128 B10R1.29 O=C1OCCC1SCCO 62a_100000211211_100000211926 [1,0,0,1,0,0|2,0,0]=4 5129 B10R1.29 O=C1OCCC1SCCO 62a_100000211926_100000211211 [1,0,0,1,0,0|2,0,0]=4 5130 B10R1.85 CCOC1CCCCCC1 34a_100000210887_100000210202 [1,0,0,1,0,0|1,0,1]=4 5131 B10R1.85 CCOC1CCCCCC1 34a_100121572206_100011217769 [1,0,0,1,0,0|1,0,1]=4 5132 B10R1.85 CCOC1CCCCCC1 7a_100000210887_100000210202 [1,0,0,1,0,0|1,0,1]=4 5133 B10R1.135 CCC1CC1C(=O)CCF 1458a_200011661523_100011217306 [1,0,0,1,0,0|2,0,0]=4 5134 B10R1.135 CCC1CC1C(=O)CCO 1458a_200011661523_100000211926 [1,0,0,1,0,0|2,0,0]=4 5135 B10R1.135 CCC1CC1C(=O)NNC 22a_100016993582_200011661523 [1,0,0,1,0,0|2,0,0]=4 5136 B10R1.135 CCCC(=O)C1CC1CC 1458a_200011661523_100000210303 [1,0,0,1,0,0|1,0,0]=3 5137 B10R1.135 CCNC(=O)C1CC1CC 11a_100015525214_200011661523 [1,0,0,1,0,0|1,0,0]=3 5138 B10R1.135 CCNC(=O)C1CC1CC 240690a_100015525214_200011661523 [1,0,0,1,0,0|1,0,0]=3 5139 B10R1.135 CCNC(=O)C1CC1CC 527a_100015525214_200011661523 [1,0,0,1,0,0|1,0,0]=3 5140 B10R1.137 CC#CC(=O)CC1CCC1 1458a_100000763181_100000763275 [1,0,0,1,0,0|1,0,1]=4 5141 B10R1.137 CC=CC(=O)CC1CCC1 1458a_100000210699_100000763275 [1,0,0,1,0,0|1,0,1]=4 5142 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000211992_100000763275 [1,0,0,1,0,0|1,0,0]=3 5143 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000763092_100000210303 [1,0,0,1,0,0|1,0,0]=3 5144 B10R1.137 CCCC(=O)CC1CCO1 1458a_100000211992_100000103362 [1,0,0,1,0,0|2,0,0]=4 5145 B10R1.137 CCCC(=O)CC1COC1 1458a_100000211992_100010264016 [1,0,0,1,0,0|2,0,0]=4 5146 B10R1.137 CCCC(=O)CC1COC1 1458a_100000687760_100000210303 [1,0,0,1,0,0|2,0,0]=4 5147 B10R1.137 CCCC(=O)CN1CCC1 269982a_100000754969_100000747444 [1,0,0,1,0,0|2,0,0]=4 5148 B10R1.137 CCCC(=O)NC1CCC1 11a_100000749019_100000211992 [1,0,0,1,0,0|2,0,0]=4 5149 B10R1.137 CCCC(=O)NC1CCC1 1626a_100000749019_100000211992 [1,0,0,1,0,0|2,0,0]=4 5150 B10R1.137 CCCC(=O)NC1CCC1 240690a_100000749019_100000211992 [1,0,0,1,0,0|2,0,0]=4 5151 B10R1.137 CCCC(=O)NC1CCC1 527a_100000749019_100000211992 [1,0,0,1,0,0|2,0,0]=4 5152 B10R1.137 CCNC(=O)CC1CCC1 11a_100015525214_100000763092 [1,0,0,1,0,0|1,0,0]=3 5153 B10R1.137 CCNC(=O)CC1CCC1 240690a_100015525214_100000763092 [1,0,0,1,0,0|1,0,0]=3 5154 B10R1.137 CCNC(=O)CC1CCC1 527a_100015525214_100000763092 [1,0,0,1,0,0|1,0,0]=3 5155 B10R1.137 CCNC(=O)CC1COC1 11a_100015525214_100000687760 [1,0,0,1,0,0|2,0,0]=4 5156 B10R1.137 CCNC(=O)CN1CCC1 269982a_100000754969_100000183381 [1,0,0,1,0,0|2,0,0]=4 5157 B10R1.137 CCNC(=O)NC1CCC1 2708a_100015525214_100000749019 [1,0,0,1,0,0|2,0,0]=4 5158 B10R1.137 CCNC(=O)NC1CCC1 273464a_100000749019_100015525214 [1,0,0,1,0,0|2,0,0]=4 5159 B10R1.137 CCNC(=O)NC1CCC1 273464a_100015525214_100000749019 [1,0,0,1,0,0|2,0,0]=4 5160 B10R1.137 CCNC(=O)NC1CCC1 512a_100000749019_100015525214 [1,0,0,1,0,0|2,0,0]=4 5161 B10R1.137 CCNC(=O)NC1CCC1 512a_100015525214_100000749019 [1,0,0,1,0,0|2,0,0]=4 5162 B10R1.137 CCOC(=O)CN1CCC1 269982a_100000754969_100000188475 [1,0,0,1,0,0|1,0,0]=3 5163 B10R1.137 CNNC(=O)CC1CCC1 22a_100016993582_100000763092 [1,0,0,1,0,0|2,0,0]=4 5164 B10R1.137 COCC(=O)CC1CCC1 1458a_100000210968_100000763275 [1,0,0,1,0,0|2,0,0]=4 5165 B10R1.137 CSCC(=O)CC1CCC1 1458a_100000184570_100000763275 [1,0,0,1,0,0|2,0,0]=4 5166 B10R1.137 O=C(CCF)CC1CCC1 1458a_100000763092_100011217306 [1,0,0,1,0,0|2,0,0]=4 5167 B10R1.137 O=C(CCO)CC1CCC1 1458a_100000763092_100000211926 [1,0,0,1,0,0|2,0,0]=4 5168 B10R1.137 O=C(CCO)CC1CCC1 1458a_100011216618_100000763275 [1,0,0,1,0,0|2,0,0]=4 5169 B10R1.138 CC#CC(=O)CCC1CC1 1458a_100000763181_100000694398 [1,0,0,1,0,0|1,0,1]=4 5170 B10R1.138 CC=CC(=O)CCC1CC1 1458a_100000210699_100000694398 [1,0,0,1,0,0|1,0,1]=4 5171 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000211992_100000694398 [1,0,0,1,0,0|1,0,0]=3 5172 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000756386_100000210303 [1,0,0,1,0,0|1,0,0]=3 5173 B10R1.138 CCCC(=O)CCC1CO1 1458a_100000211992_100000732470 [1,0,0,1,0,0|2,0,0]=4 5174 B10R1.138 CCCC(=O)CSC1CC1 62a_100000747444_100000211595 [1,0,0,1,0,0|2,0,0]=4 5175 B10R1.138 CCCC(=O)NCC1CC1 11a_100000735609_100000211992 [1,0,0,1,0,0|2,0,0]=4 5176 B10R1.138 CCCC(=O)NCC1CC1 1626a_100000735609_100000211992 [1,0,0,1,0,0|2,0,0]=4 5177 B10R1.138 CCCC(=O)NCC1CC1 240690a_100000735609_100000211992 [1,0,0,1,0,0|2,0,0]=4 5178 B10R1.138 CCCC(=O)NCC1CC1 527a_100000735609_100000211992 [1,0,0,1,0,0|2,0,0]=4 5179 B10R1.138 CCNC(=O)CCC1CC1 11a_100015525214_100000756386 [1,0,0,1,0,0|1,0,0]=3 5180 B10R1.138 CCNC(=O)CCC1CC1 240690a_100015525214_100000756386 [1,0,0,1,0,0|1,0,0]=3 5181 B10R1.138 CCNC(=O)CCC1CC1 527a_100015525214_100000756386 [1,0,0,1,0,0|1,0,0]=3 5182 B10R1.138 CCNC(=O)CNC1CC1 34a_100000212008_100000183381 [1,0,0,1,0,0|2,0,0]=4 5183 B10R1.138 CCNC(=O)CSC1CC1 62a_100000183381_100000211595 [1,0,0,1,0,0|2,0,0]=4 5184 B10R1.138 CCNC(=O)NCC1CC1 2708a_100000735609_100015525214 [1,0,0,1,0,0|2,0,0]=4 5185 B10R1.138 CCNC(=O)NCC1CC1 2708a_100015525214_100000735609 [1,0,0,1,0,0|2,0,0]=4 5186 B10R1.138 CCNC(=O)NCC1CC1 273464a_100000735609_100015525214 [1,0,0,1,0,0|2,0,0]=4 5187 B10R1.138 CCNC(=O)NCC1CC1 273464a_100015525214_100000735609 [1,0,0,1,0,0|2,0,0]=4 5188 B10R1.138 CCNC(=O)NCC1CC1 512a_100000735609_100015525214 [1,0,0,1,0,0|2,0,0]=4 5189 B10R1.138 CCNC(=O)NCC1CC1 512a_100015525214_100000735609 [1,0,0,1,0,0|2,0,0]=4 5190 B10R1.138 CCOC(=O)CNC1CC1 34a_100000212008_100000188475 [1,0,0,1,0,0|1,0,0]=3 5191 B10R1.138 CCOC(=O)CSC1CC1 62a_100000188475_100000211595 [1,0,0,1,0,0|1,0,0]=3 5192 B10R1.138 CNNC(=O)CCC1CC1 22a_100016993582_100000756386 [1,0,0,1,0,0|2,0,0]=4 5193 B10R1.138 COCC(=O)CCC1CC1 1458a_100000210968_100000694398 [1,0,0,1,0,0|2,0,0]=4 5194 B10R1.138 CSCC(=O)CCC1CC1 1458a_100000184570_100000694398 [1,0,0,1,0,0|2,0,0]=4 5195 B10R1.138 O=C(CCF)CCC1CC1 1458a_100000756386_100011217306 [1,0,0,1,0,0|2,0,0]=4 5196 B10R1.138 O=C(CCO)CCC1CC1 1458a_100000756386_100000211926 [1,0,0,1,0,0|2,0,0]=4 5197 B10R1.138 O=C(CCO)CCC1CC1 1458a_100011216618_100000694398 [1,0,0,1,0,0|2,0,0]=4 5198 B10R1.139 CCCC(=O)N1CCC1C 11a_100000755817_100000211992 [1,0,0,1,0,0|2,0,0]=4 5199 B10R1.139 CCCC(=O)N1CCC1C 240690a_100000755817_100000211992 [1,0,0,1,0,0|2,0,0]=4 5200 B10R1.139 CCCC(=O)N1CCC1C 527a_100000755817_100000211992 [1,0,0,1,0,0|2,0,0]=4 5201 B10R1.139 CCNC(=O)N1CCC1C 2708a_100015525214_100000755817 [1,0,0,1,0,0|2,0,0]=4 5202 B10R1.139 CCNC(=O)N1CCC1C 273464a_100015525214_100000755817 [1,0,0,1,0,0|2,0,0]=4 5203 B10R1.186 CCCCCC(=O)C1CC1 1458a_100000210395_100000210326 [1,0,0,1,0,0|1,0,0]=3 5204 B10R1.186 CCCCCC(=O)C1CO1 1458a_100000701028_100000210326 [1,0,0,1,0,0|2,0,0]=4 5205 B10R1.186 CCCCNC(=O)C1CC1 11a_100000102301_100000210395 [1,0,0,1,0,0|2,0,0]=4 5206 B10R1.186 CCCCNC(=O)C1CC1 1626a_100000102301_100000210395 [1,0,0,1,0,0|2,0,0]=4 5207 B10R1.186 CCCCNC(=O)C1CC1 240690a_100000102301_100000210395 [1,0,0,1,0,0|2,0,0]=4 5208 B10R1.186 CCCCNC(=O)C1CC1 527a_100000102301_100000210395 [1,0,0,1,0,0|2,0,0]=4 5209 B10R1.186 CCCNCC(O)C1CC1 2230a_100000751198_100000210303 [1,0,0,1,0,0|2,0,0]=4 5210 B10R1.186 CCCNCC(O)C1CC1 34a_100000751198_100000210303 [1,0,0,1,0,0|2,0,0]=4 5211 B10R1.186 CCCOCC(=O)C1CC1 34a_100000210258_100000746382 [1,0,0,1,0,0|2,0,0]=4 5212 B10R1.186 CCCOCC(=O)C1CC1 34a_100000686663_100000210303 [1,0,0,1,0,0|2,0,0]=4 5213 B10R1.186 CCCSCC(=O)C1CC1 62a_100000210303_100000746382 [1,0,0,1,0,0|2,0,0]=4 5214 B10R1.186 CCCSCC(=O)C1CC1 62a_100000746382_100000210303 [1,0,0,1,0,0|2,0,0]=4 5215 B10R1.186 CCOCCC(=O)C1CC1 1458a_100000210395_100011215890 [1,0,0,1,0,0|2,0,0]=4 5216 B10R1.186 CCSCCC(=O)C1CC1 1458a_100000210395_100000757381 [1,0,0,1,0,0|2,0,0]=4 5217 B10R1.186 COCCCC(=O)C1CC1 1458a_100000210395_100000740836 [1,0,0,1,0,0|2,0,0]=4 5218 B10R1.186 O=C(CCCCF)C1CC1 1458a_100000210395_100000729493 [1,0,0,1,0,0|2,0,0]=4 5219 B10R1.186 O=C(CCCCO)C1CC1 1458a_100000210395_100000210776 [1,0,0,1,0,0|2,0,0]=4 5220 B10R1.197 CCN1CCCC(CC1)O 2230a_100015186869_100000210202 [1,0,0,1,0,0|1,0,1]=4 5221 B10R1.197 CCN1CCCC(CC1)O 269982a_100015186869_100000204670 [1,0,0,1,0,0|1,0,1]=4 5222 B10R1.197 CCN1CCNC(=O)CC1 2230a_100000698595_100000210202 [1,0,0,1,0,0|2,0,0]=4 5223 B10R1.197 CCN1CCNC(=O)CC1 269982a_100000698595_100000204670 [1,0,0,1,0,0|2,0,0]=4 5224 B10R1.376 CCCNCC1(CCC1)O 2230a_100000752638_100000210303 [1,0,0,1,0,0|2,0,0]=4 5225 B10R1.377 CCOC1(CCCCC1)C 34a_100011215885_100000210202 [1,0,0,1,0,0|1,0,1]=4 5226 B10R1.377 CCOC1(CCCCC1)C 7a_100011215885_100000210202 [1,0,0,1,0,0|1,0,1]=4 5227 B10R1.377 CNCC1(CCOCC1)O 2230a_100000704115_200000210301 [1,0,0,1,0,0|1,0,1]=4 5228 B10R1.377 CNCC1(CCOCC1)O 34a_100000704115_200000210301 [1,0,0,1,0,0|1,0,1]=4 5229 B10R1.377 [13CH3]NCC1(CCOCC1)O 2230a_100000704115_200025704644 [1,0,0,1,0,0|1,0,1]=4 5230 B10R1.377 [13CH3]NCC1(CCOCC1)O 34a_100000704115_200025704644 [1,0,0,1,0,0|1,0,1]=4 5231 B10R1.27 C#CC(=O)CC1CCCO1 1458a_100000211873_100000203698 [1,0,0,1,0,0|0,0,2]=4 5232 B10R1.27 C=CC(=O)CC1CCCO1 1458a_100000185746_100000203698 [1,0,0,1,0,0|0,0,2]=4 5233 B10R1.27 CCC(=O)CC1=CCCC1 1458a_100000050221_100000210202 [1,0,0,1,0,0|1,0,1]=4 5234 B10R1.27 CCC(=O)CC1C=CCC1 1458a_100000212241_100000210202 [1,0,0,1,0,0|1,0,1]=4 5235 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210414_100000740388 [1,0,0,1,0,0|1,0,0]=3 5236 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210891_100000210202 [1,0,0,1,0,0|1,0,0]=3 5237 B10R1.27 CCC(=O)CC1CCCO1 1458a_100000210414_100000203698 [1,0,0,1,0,0|0,0,0]=2 5238 B10R1.27 CCC(=O)CC1CCOC1 1458a_100000210414_100000702531 [1,0,0,1,0,0|2,0,0]=4 5239 B10R1.27 CCC(=O)CC1CCOC1 1458a_100011218419_100000210202 [1,0,0,1,0,0|2,0,0]=4 5240 B10R1.27 CCC(=O)CC1OCCO1 1458a_100000210414_100000755774 [1,0,0,1,0,0|1,0,0]=3 5241 B10R1.27 CCC(=O)CN1CCCC1 1458a_100000740243_100000210202 [1,0,0,1,0,0|2,0,0]=4 5242 B10R1.27 CCC(=O)CN1CCCC1 269982a_100000188435_100000747405 [1,0,0,1,0,0|2,0,0]=4 5243 B10R1.27 CCC(=O)NC1CCCC1 11a_100000211070_100000210414 [1,0,0,1,0,0|2,0,0]=4 5244 B10R1.27 CCC(=O)NC1CCCC1 1626a_100000211070_100000210414 [1,0,0,1,0,0|2,0,0]=4 5245 B10R1.27 CCC(=O)NC1CCCC1 240690a_100000211070_100000210414 [1,0,0,1,0,0|2,0,0]=4 5246 B10R1.27 CCC(=O)NC1CCCC1 527a_100000211070_100000210414 [1,0,0,1,0,0|2,0,0]=4 5247 B10R1.27 CCN(C)CC1CCCO1 2230a_100000186375_200000210301 [1,0,0,1,0,0|2,0,0]=4 5248 B10R1.27 CCN(C)CC1CCCO1 2230a_100000225621_100000203698 [1,0,0,1,0,0|2,0,0]=4 5249 B10R1.27 CCN(C)CC1CCCO1 2230a_100102946541_100000210202 [1,0,0,1,0,0|2,0,0]=4 5250 B10R1.27 CCN(C)CC1CCCO1 269982a_100000186375_200000210301 [1,0,0,1,0,0|2,0,0]=4 5251 B10R1.27 CCN(C)CC1CCCO1 269982a_100000225621_100000183445 [1,0,0,1,0,0|2,0,0]=4 5252 B10R1.27 CCN(C)CC1CCCO1 269982a_100102946541_100000204670 [1,0,0,1,0,0|2,0,0]=4 5253 B10R1.27 CCN(C)CC1CCCO1 34a_100000186375_200000210301 [1,0,0,1,0,0|2,0,0]=4 5254 B10R1.27 CCN(C)CC1CCCO1 34a_100102946541_100000210202 [1,0,0,1,0,0|2,0,0]=4 5255 B10R1.27 CCN([13CH3])CC1CCCO1 2230a_100000186375_200025704644 [1,0,0,1,0,0|2,0,0]=4 5256 B10R1.27 CCN([13CH3])CC1CCCO1 269982a_100000186375_200025704644 [1,0,0,1,0,0|2,0,0]=4 5257 B10R1.27 CCN([13CH3])CC1CCCO1 34a_100000186375_200025704644 [1,0,0,1,0,0|2,0,0]=4 5258 B10R1.27 CNC(=O)CC1CCCC1 11a_106832991635_100000210891 [1,0,0,1,0,0|2,0,0]=4 5259 B10R1.27 CNC(=O)CC1CCCC1 1626a_100102657272_100000210891 [1,0,0,1,0,0|2,0,0]=4 5260 B10R1.27 CNC(=O)CC1CCCC1 240690a_100102657272_100000210891 [1,0,0,1,0,0|2,0,0]=4 5261 B10R1.27 CNC(=O)CC1CCCC1 527a_100102657272_100000210891 [1,0,0,1,0,0|2,0,0]=4 5262 B10R1.27 COC(=O)CN1CCCC1 2230a_100000188435_100000747449 [1,0,0,1,0,0|2,0,0]=4 5263 B10R1.27 COC(=O)CN1CCCC1 269982a_100000188435_100000747449 [1,0,0,1,0,0|2,0,0]=4 5264 B10R1.27 O=C(CF)CC1CCCC1 1458a_100000210891_100015361967 [1,0,0,1,0,0|2,0,0]=4 5265 B10R1.27 O=C(CO)CC1CCCC1 1458a_100000210174_100000740388 [1,0,0,1,0,0|2,0,0]=4 5266 B10R1.27 O=C(CO)CC1CCCO1 1458a_100000210174_100000203698 [1,0,0,1,0,0|1,0,0]=3 5267 B10R1.27 O=C(CO)CC1OCCO1 1458a_100000210174_100000755774 [1,0,0,1,0,0|2,0,0]=4 5268 B10R1.99 CCCN1CC1C(=O)OC 2230a_200009830135_100000210303 [1,0,0,1,0,0|2,0,0]=4 5269 B10R1.134 CCC(=O)CC(=O)C1CC1 1458a_100000210395_100000747405 [1,0,0,1,0,0|0,0,2]=4 5270 B10R1.134 CCC(=O)CC(=O)C1CC1 1458a_100000210414_100000746382 [1,0,0,1,0,0|0,0,2]=4 5271 B10R1.134 CCC(=O)CN(C)C1CC1 269982a_100000226674_100000747405 [1,0,0,1,0,0|2,0,0]=4 5272 B10R1.134 CCC(=O)NC(C)C1CC1 11a_100000700016_100000210414 [1,0,0,1,0,0|2,0,0]=4 5273 B10R1.134 CCC(=O)NC(C)C1CC1 1626a_100000700016_100000210414 [1,0,0,1,0,0|2,0,0]=4 5274 B10R1.134 CCC(=O)NC(C)C1CC1 240690a_100000700016_100000210414 [1,0,0,1,0,0|2,0,0]=4 5275 B10R1.134 CCC(=O)NC(C)C1CC1 527a_100000700016_100000210414 [1,0,0,1,0,0|2,0,0]=4 5276 B10R1.134 CCC(C)CC(=O)C1CC1 1458a_100000210395_100000748023 [1,0,0,1,0,0|2,0,0]=4 5277 B10R1.134 CCC(O)CC(=O)C1CC1 1458a_100000210395_100011218378 [1,0,0,1,0,0|1,0,0]=3 5278 B10R1.134 CCC(O)CC(=O)C1CO1 1458a_100000701028_100011218378 [1,0,0,1,0,0|2,0,0]=4 5279 B10R1.134 CC[C@H](C)CC(=O)C1CC1 1458a_100000210395_100009816398 [1,0,0,1,0,0|2,0,0]=4 5280 B10R1.134 COC(=O)CC(=O)C1CC1 1458a_100000210395_100000747449 [1,0,0,1,0,0|0,0,2]=4 5281 B10R1.134 COC(=O)CN(C)C1CC1 2230a_100000226674_100000747449 [1,0,0,1,0,0|2,0,0]=4 5282 B10R1.134 COC(=O)CN(C)C1CC1 269982a_100000226674_100000747449 [1,0,0,1,0,0|2,0,0]=4 5283 B10R1.149 CC1CCCC1C(=O)CF 1458a_100000690547_100015361967 [1,0,0,1,0,0|2,0,0]=4 5284 B10R1.149 CCC(=O)C1CCCC1=O 1458a_100000210414_100000211823 [1,0,0,1,0,0|0,0,2]=4 5285 B10R1.149 CCC(=O)C1CCCC1C 1458a_100000690547_100000210202 [1,0,0,1,0,0|1,0,0]=3 5286 B10R1.149 CCC(=O)C1CCOC1=O 1458a_100000210414_100000211211 [1,0,0,1,0,0|0,0,2]=4 5287 B10R1.149 CCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210414 [1,0,0,1,0,0|2,0,0]=4 5288 B10R1.149 CCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210414 [1,0,0,1,0,0|2,0,0]=4 5289 B10R1.149 CCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210414 [1,0,0,1,0,0|2,0,0]=4 5290 B10R1.149 CCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210414 [1,0,0,1,0,0|2,0,0]=4 5291 B10R1.149 CCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210414 [1,0,0,1,0,0|2,0,0]=4 5292 B10R1.149 CCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210202 [1,0,0,1,0,0|2,0,0]=4 5293 B10R1.149 CCN(C)C1CCOC1=O 2230a_100000225621_100000211211 [1,0,0,1,0,0|2,0,0]=4 5294 B10R1.149 CCN(C)C1CCOC1=O 269982a_100000225621_100000211211 [1,0,0,1,0,0|2,0,0]=4 5295 B10R1.149 CCN(C)[C@@H]1CCC[C@H]1O 269982a_100000225621_200016002552 [1,0,0,1,0,0|2,0,0]=4 5296 B10R1.149 CNC(=O)C1CCCC1C 11a_106832991635_100000690547 [1,0,0,1,0,0|2,0,0]=4 5297 B10R1.149 CNC(=O)C1CCCC1C 1626a_100102657272_100000690547 [1,0,0,1,0,0|2,0,0]=4 5298 B10R1.149 CNC(=O)C1CCCC1C 240690a_100102657272_100000690547 [1,0,0,1,0,0|2,0,0]=4 5299 B10R1.149 CNC(=O)C1CCCC1C 527a_100102657272_100000690547 [1,0,0,1,0,0|2,0,0]=4 5300 B10R1.149 COC(=O)[C@@H]1CCCN1C 2230a_100000752040_200000210301 [1,0,0,1,0,0|2,0,0]=4 5301 B10R1.149 COC(=O)[C@@H]1CCCN1C 269982a_100000752040_200000210301 [1,0,0,1,0,0|2,0,0]=4 5302 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000752040_200025704644 [1,0,0,1,0,0|2,0,0]=4 5303 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000752040_200025704644 [1,0,0,1,0,0|2,0,0]=4 5304 B10R1.150 CCC(=O)CN1CC(C1)C 269982a_100000702820_100000747405 [1,0,0,1,0,0|2,0,0]=4 5305 B10R1.150 COC(=O)CC1CN(C1)C 269982a_100016993681_200000210301 [1,0,0,1,0,0|2,0,0]=4 5306 B10R1.150 COC(=O)CC1CN(C1)[13CH3] 269982a_100016993681_200025704644 [1,0,0,1,0,0|2,0,0]=4 5307 B10R1.150 COC(=O)CN1CC(C1)C 2230a_100000702820_100000747449 [1,0,0,1,0,0|2,0,0]=4 5308 B10R1.150 COC(=O)CN1CC(C1)C 269982a_100000702820_100000747449 [1,0,0,1,0,0|2,0,0]=4 5309 B10R1.150 COC(=O)CN1CC(C1)C 34a_100000702820_100000747449 [1,0,0,1,0,0|2,0,0]=4 5310 B10R1.162 CCN1CCCCC(C1)O 2230a_100025706797_100000210202 [1,0,0,1,0,0|2,0,0]=4 5311 B10R1.162 CCN1CCCCC(C1)O 269982a_100025706797_100000204670 [1,0,0,1,0,0|2,0,0]=4 5312 B10R1.181 CCCC(=O)CC1(CC1)C 1458a_100000112800_100000210303 [1,0,0,1,0,0|2,0,0]=4 5313 B10R1.181 CCNC(=O)CC1(CC1)C 11a_100015525214_100000112800 [1,0,0,1,0,0|2,0,0]=4 5314 B10R1.181 CCNC(=O)CC1(CC1)C 240690a_100015525214_100000112800 [1,0,0,1,0,0|2,0,0]=4 5315 B10R1.181 CCNC(=O)CC1(CC1)C 527a_100015525214_100000112800 [1,0,0,1,0,0|2,0,0]=4 5316 B10R1.429 CC1(CCC1)CC(=O)CO 1458a_100000210174_100000726658 [1,0,0,1,0,0|2,0,0]=4 5317 B10R1.429 CCC(=O)CC1(CCC1)C 1458a_100000210414_100000726658 [1,0,0,1,0,0|1,0,0]=3 5318 B10R1.429 CCC(=O)CC1(COC1)C 1458a_100000210414_100000066812 [1,0,0,1,0,0|2,0,0]=4 5319 B10R1.429 CCC(=O)NC1(CCC1)C 11a_100000692455_100000210414 [1,0,0,1,0,0|2,0,0]=4 5320 B10R1.429 CCC(=O)NC1(CCC1)C 1626a_100000692455_100000210414 [1,0,0,1,0,0|2,0,0]=4 5321 B10R1.429 CCC(=O)NC1(CCC1)C 240690a_100000692455_100000210414 [1,0,0,1,0,0|2,0,0]=4 5322 B10R1.429 CCC(=O)NC1(CCC1)C 527a_100000692455_100000210414 [1,0,0,1,0,0|2,0,0]=4 5323 B10R1.4 CCOC1CCCCC1O 34a_100121572206_100000038908 [0,0,0,1,1,0|1,0,1]=4 5324 B10R1.140 CCCC(=O)C1CC(C1)C 1458a_100000686124_100000210303 [0,0,0,1,1,0|2,0,0]=4 5325 B10R1.140 CCNC(=O)C1CC(C1)C 11a_100015525214_100000686124 [0,0,0,1,1,0|2,0,0]=4 5326 B10R1.140 CCNC(=O)C1CC(C1)C 240690a_100015525214_100000686124 [0,0,0,1,1,0|2,0,0]=4 5327 B10R1.140 CCNC(=O)C1CC(C1)C 527a_100015525214_100000686124 [0,0,0,1,1,0|2,0,0]=4 5328 B10R1.140 CCOC(=O)C1CN(C1)C 269982a_100015188541_200000210301 [0,0,0,1,1,0|2,0,0]=4 5329 B10R1.140 CCOC(=O)C1CN(C1)[13CH3] 269982a_100015188541_200025704644 [0,0,0,1,1,0|2,0,0]=4 5330 B10R1.212 CCCC(C)C(=O)C1CC1 1458a_100000210395_100000766640 [0,0,0,1,1,0|2,0,0]=4 5331 B10R1.401 CCCC(=O)C1(CCC1)C 1458a_100000684636_100000210303 [0,0,0,1,1,0|2,0,0]=4 5332 B10R1.401 CCCC(=O)C1(CCC1)O 1458a_100000242746_100000210303 [0,0,0,1,1,0|1,0,0]=3 5333 B10R1.401 CCCC(=O)C1(COC1)O 1458a_100010273515_100000210303 [0,0,0,1,1,0|2,0,0]=4 5334 B10R1.401 CCNC(=O)C1(CCC1)C 11a_100015525214_100000684636 [0,0,0,1,1,0|2,0,0]=4 5335 B10R1.401 CCNC(=O)C1(CCC1)C 240690a_100015525214_100000684636 [0,0,0,1,1,0|2,0,0]=4 5336 B10R1.401 CCNC(=O)C1(CCC1)C 527a_100015525214_100000684636 [0,0,0,1,1,0|2,0,0]=4 5337 B10R1.401 CCNC(=O)C1(CCC1)O 240690a_100015525214_100000242746 [0,0,0,1,1,0|1,0,0]=3 5338 B10R1.401 CCNC(=O)C1(COC1)O 240690a_100015525214_100010273515 [0,0,0,1,1,0|2,0,0]=4 5339 B10R1.401 CNNC(=O)C1(CCC1)O 22a_100016993582_100000242746 [0,0,0,1,1,0|2,0,0]=4 5340 B10R1.401 O=C(CCF)C1(CCC1)O 1458a_100000242746_100011217306 [0,0,0,1,1,0|2,0,0]=4 5341 B10R1.401 O=C(CCO)C1(CCC1)O 1458a_100000242746_100000211926 [0,0,0,1,1,0|2,0,0]=4 5342 B12R1.17 CC(CCO)N1CCOC(=O)C1 2230a_100000131268_100009893172 [0,0,0,1,0,1|2,0,0]=4 5343 B12R1.17 CC=CC(=O)N1CCCC(C1)O 240690a_100000211013_100000210699 [0,0,0,1,0,1|1,0,1]=4 5344 B12R1.17 CCCC(=O)C1CCCC(C1)C 1458a_100011215569_100000210303 [0,0,0,1,0,1|2,0,0]=4 5345 B12R1.17 CCCC(=O)C1CCCC(C1)O 1458a_100000707227_100000210303 [0,0,0,1,0,1|1,0,0]=3 5346 B12R1.17 CCCC(=O)N1CCCC(C1)F 11a_100000697950_100000211992 [0,0,0,1,0,1|2,0,0]=4 5347 B12R1.17 CCCC(=O)N1CCCC(C1)F 1626a_100000697950_100000211992 [0,0,0,1,0,1|2,0,0]=4 5348 B12R1.17 CCCC(=O)N1CCCC(C1)F 240690a_100000697950_100000211992 [0,0,0,1,0,1|2,0,0]=4 5349 B12R1.17 CCCC(=O)N1CCCC(C1)F 527a_100000697950_100000211992 [0,0,0,1,0,1|2,0,0]=4 5350 B12R1.17 CCCC(=O)N1CCCC(C1)O 240690a_100000211013_100000211992 [0,0,0,1,0,1|1,0,0]=3 5351 B12R1.17 CCCC(=O)N1CCCC(C1)O 527a_100000211013_100000211992 [0,0,0,1,0,1|1,0,0]=3 5352 B12R1.17 CCCC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100000211992 [0,0,0,1,0,1|2,0,0]=4 5353 B12R1.17 CCCC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100000211992 [0,0,0,1,0,1|2,0,0]=4 5354 B12R1.17 CCCC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100000211992 [0,0,0,1,0,1|2,0,0]=4 5355 B12R1.17 CCCC(=O)N1CCOC(=O)C1 11a_100000131268_100000211992 [0,0,0,1,0,1|0,0,2]=4 5356 B12R1.17 CCCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000211992 [0,0,0,1,0,1|0,0,2]=4 5357 B12R1.17 CCCC(=O)N1CCOC(=O)C1 527a_100000131268_100000211992 [0,0,0,1,0,1|0,0,2]=4 5358 B12R1.17 CCCC(=O)N1CCOC(C1)O 11a_100000688207_100000211992 [0,0,0,1,0,1|2,0,0]=4 5359 B12R1.17 CCCC(=O)N1CCOC(C1)O 240690a_100000688207_100000211992 [0,0,0,1,0,1|2,0,0]=4 5360 B12R1.17 CCCC(=O)N1CCOC(C1)O 527a_100000688207_100000211992 [0,0,0,1,0,1|2,0,0]=4 5361 B12R1.17 CCCC(C)N1CCNC(=O)C1 2230a_100000184651_100000766640 [0,0,0,1,0,1|2,0,0]=4 5362 B12R1.17 CCCC(C)N1CCNC(=O)C1 270004a_100000184651_100000211909 [0,0,0,1,0,1|2,0,0]=4 5363 B12R1.17 CCCC(C)N1CCOC(=O)C1 2230a_100000131268_100000766640 [0,0,0,1,0,1|1,0,0]=3 5364 B12R1.17 CCCC(C)N1CCOC(=O)C1 270004a_100000131268_100000211909 [0,0,0,1,0,1|1,0,0]=3 5365 B12R1.17 CCNC(=O)C1CCCC(C1)C 11a_100015525214_100011215569 [0,0,0,1,0,1|2,0,0]=4 5366 B12R1.17 CCNC(=O)C1CCCC(C1)C 240690a_100015525214_100011215569 [0,0,0,1,0,1|2,0,0]=4 5367 B12R1.17 CCNC(=O)C1CCCC(C1)C 527a_100015525214_100011215569 [0,0,0,1,0,1|2,0,0]=4 5368 B12R1.17 CCNC(=O)C1CCCC(C1)O 240690a_100015525214_100000707227 [0,0,0,1,0,1|1,0,0]=3 5369 B12R1.17 CCNC(=O)N1CCCC(C1)F 2708a_100015525214_100000697950 [0,0,0,1,0,1|2,0,0]=4 5370 B12R1.17 CCNC(=O)N1CCCC(C1)F 273464a_100015525214_100000697950 [0,0,0,1,0,1|2,0,0]=4 5371 B12R1.17 CCNC(=O)N1CCCC(C1)O 2708a_100015525214_100000211013 [0,0,0,1,0,1|1,0,0]=3 5372 B12R1.17 CCNC(=O)N1CCCC(C1)O 273464a_100015525214_100000211013 [0,0,0,1,0,1|1,0,0]=3 5373 B12R1.17 CCNC(=O)N1CCC[C@@H](C1)C 2708a_100015525214_100000717927 [0,0,0,1,0,1|2,0,0]=4 5374 B12R1.17 CCNC(=O)N1CCC[C@@H](C1)C 273464a_100015525214_100000717927 [0,0,0,1,0,1|2,0,0]=4 5375 B12R1.17 CCNC(=O)N1CCOC(C1)O 2708a_100015525214_100000688207 [0,0,0,1,0,1|2,0,0]=4 5376 B12R1.17 CCNC(=O)N1CCOC(C1)O 273464a_100015525214_100000688207 [0,0,0,1,0,1|2,0,0]=4 5377 B12R1.17 CCOC(=O)[C@H]1CCCN(C1)C 2230a_100000759086_200000210301 [0,0,0,1,0,1|2,0,0]=4 5378 B12R1.17 CCOC(=O)[C@H]1CCCN(C1)C 269982a_100000759086_200000210301 [0,0,0,1,0,1|2,0,0]=4 5379 B12R1.17 CCOC(=O)[C@H]1CCCN(C1)[13CH3] 2230a_100000759086_200025704644 [0,0,0,1,0,1|2,0,0]=4 5380 B12R1.17 CCOC(=O)[C@H]1CCCN(C1)[13CH3] 269982a_100000759086_200025704644 [0,0,0,1,0,1|2,0,0]=4 5381 B12R1.17 CNNC(=O)C1CCCC(C1)O 22a_100016993582_100000707227 [0,0,0,1,0,1|2,0,0]=4 5382 B12R1.17 COCC(=O)N1CCCC(C1)O 240690a_100000211013_100000210968 [0,0,0,1,0,1|2,0,0]=4 5383 B12R1.17 COCC(=O)N1CCCC(C1)O 527a_100000211013_100000210968 [0,0,0,1,0,1|2,0,0]=4 5384 B12R1.17 COCC(C)N1CCOC(=O)C1 2230a_100000131268_100000765312 [0,0,0,1,0,1|2,0,0]=4 5385 B12R1.17 COCC(C)N1CCOC(=O)C1 270004a_100000131268_100000749346 [0,0,0,1,0,1|2,0,0]=4 5386 B12R1.17 CSCC(=O)N1CCCC(C1)O 240690a_100000211013_100000184570 [0,0,0,1,0,1|2,0,0]=4 5387 B12R1.17 CSCC(=O)N1CCCC(C1)O 527a_100000211013_100000184570 [0,0,0,1,0,1|2,0,0]=4 5388 B12R1.17 CSCC(C)N1CCOC(=O)C1 270004a_100000131268_100011216314 [0,0,0,1,0,1|2,0,0]=4 5389 B12R1.17 O=C(CCF)C1CCCC(C1)O 1458a_100000707227_100011217306 [0,0,0,1,0,1|2,0,0]=4 5390 B12R1.17 O=C(CCO)C1CCCC(C1)O 1458a_100000707227_100000211926 [0,0,0,1,0,1|2,0,0]=4 5391 B12R1.17 O=C(CCO)N1CCCC(C1)O 240690a_100000211013_100011216618 [0,0,0,1,0,1|2,0,0]=4 5392 B12R1.51 C=COC(=O)COC1CCCO1 34a_100000085407_100000036128 [0,0,0,1,0,1|0,0,2]=4 5393 B12R1.51 CC=CC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000210699 [0,0,0,1,0,1|1,0,1]=4 5394 B12R1.51 CC=CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000210699 [0,0,0,1,0,1|1,0,1]=4 5395 B12R1.51 CC=CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000210699 [0,0,0,1,0,1|1,0,1]=4 5396 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211120_100000210303 [0,0,0,1,0,1|2,0,0]=4 5397 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211992_100000760354 [0,0,0,1,0,1|2,0,0]=4 5398 B12R1.51 CCCC(=O)CCC1CCCO1 1458a_100011247709_100000210303 [0,0,0,1,0,1|1,0,0]=3 5399 B12R1.51 CCCC(=O)CCC1OCCO1 1458a_100000082924_100000210303 [0,0,0,1,0,1|2,0,0]=4 5400 B12R1.51 CCCC(=O)CCC1OCCO1 1458a_100000211992_100000740749 [0,0,0,1,0,1|2,0,0]=4 5401 B12R1.51 CCCC(=O)CCN1CCCO1 1458a_200015187630_100000210303 [0,0,0,1,0,1|2,0,0]=4 5402 B12R1.51 CCCC(=O)CNC1CCCC1 2230a_100000211070_100000747444 [0,0,0,1,0,1|2,0,0]=4 5403 B12R1.51 CCCC(=O)COC1CCCC1 1458a_100000741352_100000210303 [0,0,0,1,0,1|2,0,0]=4 5404 B12R1.51 CCCC(=O)COC1CCCC1 7a_100000210269_100000747444 [0,0,0,1,0,1|2,0,0]=4 5405 B12R1.51 CCCC(=O)CSC1CCCC1 62a_100000747444_100000179811 [0,0,0,1,0,1|2,0,0]=4 5406 B12R1.51 CCCC(=O)CSC1CCCC1 62a_100011217020_100000747444 [0,0,0,1,0,1|2,0,0]=4 5407 B12R1.51 CCCC(=O)NCC1CCCC1 11a_100000737975_100000211992 [0,0,0,1,0,1|2,0,0]=4 5408 B12R1.51 CCCC(=O)NCC1CCCC1 1626a_100000737975_100000211992 [0,0,0,1,0,1|2,0,0]=4 5409 B12R1.51 CCCC(=O)NCC1CCCC1 240690a_100000737975_100000211992 [0,0,0,1,0,1|2,0,0]=4 5410 B12R1.51 CCCC(=O)NCC1CCCC1 527a_100000737975_100000211992 [0,0,0,1,0,1|2,0,0]=4 5411 B12R1.51 CCCC(=O)NCC1OCCO1 11a_100000036311_100000211992 [0,0,0,1,0,1|2,0,0]=4 5412 B12R1.51 CCCC(=O)NCC1OCCO1 1626a_100000036311_100000211992 [0,0,0,1,0,1|2,0,0]=4 5413 B12R1.51 CCCC(=O)NCC1OCCO1 527a_100000036311_100000211992 [0,0,0,1,0,1|2,0,0]=4 5414 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000211992 [0,0,0,1,0,1|1,0,0]=3 5415 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000211992 [0,0,0,1,0,1|1,0,0]=3 5416 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000211992 [0,0,0,1,0,1|1,0,0]=3 5417 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000211992 [0,0,0,1,0,1|1,0,0]=3 5418 B12R1.51 CCNC(=O)CCC1CCCC1 11a_100015525214_100000211120 [0,0,0,1,0,1|2,0,0]=4 5419 B12R1.51 CCNC(=O)CCC1CCCC1 240690a_100015525214_100000211120 [0,0,0,1,0,1|2,0,0]=4 5420 B12R1.51 CCNC(=O)CCC1CCCC1 527a_100015525214_100000211120 [0,0,0,1,0,1|2,0,0]=4 5421 B12R1.51 CCNC(=O)CCC1CCCO1 11a_100015525214_100011247709 [0,0,0,1,0,1|1,0,0]=3 5422 B12R1.51 CCNC(=O)CCC1CCCO1 240690a_100015525214_100011247709 [0,0,0,1,0,1|1,0,0]=3 5423 B12R1.51 CCNC(=O)CCC1CCCO1 527a_100015525214_100011247709 [0,0,0,1,0,1|1,0,0]=3 5424 B12R1.51 CCNC(=O)CCN1CCCO1 240690a_100015525214_200015187630 [0,0,0,1,0,1|2,0,0]=4 5425 B12R1.51 CCNC(=O)CNC1CCCC1 2230a_100000211070_100000183381 [0,0,0,1,0,1|2,0,0]=4 5426 B12R1.51 CCNC(=O)CNC1CCCC1 2230a_100016988866_100000179811 [0,0,0,1,0,1|2,0,0]=4 5427 B12R1.51 CCNC(=O)CNC1CCCC1 270004a_100016988866_100000210133 [0,0,0,1,0,1|2,0,0]=4 5428 B12R1.51 CCNC(=O)CNC1CCCC1 34a_100000211070_100000183381 [0,0,0,1,0,1|2,0,0]=4 5429 B12R1.51 CCNC(=O)COC1CCCC1 11a_100015525214_100000741352 [0,0,0,1,0,1|2,0,0]=4 5430 B12R1.51 CCNC(=O)COC1CCCC1 240690a_100015525214_100000741352 [0,0,0,1,0,1|2,0,0]=4 5431 B12R1.51 CCNC(=O)COC1CCCC1 34a_100000210269_100000183381 [0,0,0,1,0,1|2,0,0]=4 5432 B12R1.51 CCNC(=O)COC1CCCC1 527a_100015525214_100000741352 [0,0,0,1,0,1|2,0,0]=4 5433 B12R1.51 CCNC(=O)COC1CCCC1 7a_100000210269_100000183381 [0,0,0,1,0,1|2,0,0]=4 5434 B12R1.51 CCNC(=O)COC1CCCO1 34a_100000085407_100000183381 [0,0,0,1,0,1|1,0,0]=3 5435 B12R1.51 CCNC(=O)CSC1CCCC1 62a_100000183381_100000179811 [0,0,0,1,0,1|2,0,0]=4 5436 B12R1.51 CCNC(=O)CSC1CCCC1 62a_100011217020_100000183381 [0,0,0,1,0,1|2,0,0]=4 5437 B12R1.51 CCNC(=O)NCC1CCCC1 2708a_100000737975_100015525214 [0,0,0,1,0,1|2,0,0]=4 5438 B12R1.51 CCNC(=O)NCC1CCCC1 2708a_100015525214_100000737975 [0,0,0,1,0,1|2,0,0]=4 5439 B12R1.51 CCNC(=O)NCC1CCCC1 273464a_100000737975_100015525214 [0,0,0,1,0,1|2,0,0]=4 5440 B12R1.51 CCNC(=O)NCC1CCCC1 273464a_100015525214_100000737975 [0,0,0,1,0,1|2,0,0]=4 5441 B12R1.51 CCNC(=O)NCC1CCCC1 512a_100000737975_100015525214 [0,0,0,1,0,1|2,0,0]=4 5442 B12R1.51 CCNC(=O)NCC1CCCC1 512a_100015525214_100000737975 [0,0,0,1,0,1|2,0,0]=4 5443 B12R1.51 CCNC(=O)NCC1OCCO1 2708a_100000036311_100015525214 [0,0,0,1,0,1|2,0,0]=4 5444 B12R1.51 CCNC(=O)NCC1OCCO1 2708a_100015525214_100000036311 [0,0,0,1,0,1|2,0,0]=4 5445 B12R1.51 CCNC(=O)NCC1OCCO1 273464a_100000036311_100015525214 [0,0,0,1,0,1|2,0,0]=4 5446 B12R1.51 CCNC(=O)NCC1OCCO1 273464a_100015525214_100000036311 [0,0,0,1,0,1|2,0,0]=4 5447 B12R1.51 CCNC(=O)NCC1OCCO1 512a_100000036311_100015525214 [0,0,0,1,0,1|2,0,0]=4 5448 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 2708a_100015525214_100020590478 [0,0,0,1,0,1|1,0,0]=3 5449 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 2708a_100020590478_100015525214 [0,0,0,1,0,1|1,0,0]=3 5450 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 273464a_100015525214_100020590478 [0,0,0,1,0,1|1,0,0]=3 5451 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 273464a_100020590478_100015525214 [0,0,0,1,0,1|1,0,0]=3 5452 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 512a_100020590478_100015525214 [0,0,0,1,0,1|1,0,0]=3 5453 B12R1.51 CCOC(=O)CCN1CCCC1 2230a_100000188435_100011206558 [0,0,0,1,0,1|2,0,0]=4 5454 B12R1.51 CCOC(=O)CCN1CCCC1 269982a_100000188435_100011206558 [0,0,0,1,0,1|2,0,0]=4 5455 B12R1.51 CCOC(=O)CNC1CCCC1 2230a_100000211070_100000188475 [0,0,0,1,0,1|1,0,0]=3 5456 B12R1.51 CCOC(=O)CNC1CCCC1 34a_100000211070_100000188475 [0,0,0,1,0,1|1,0,0]=3 5457 B12R1.51 CCOC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000188475 [0,0,0,1,0,1|2,0,0]=4 5458 B12R1.51 CCOC(=O)CN[C@H]1CCOC1 2230a_100015188467_100000188475 [0,0,0,1,0,1|2,0,0]=4 5459 B12R1.51 CCOC(=O)CN[C@H]1CCOC1 34a_100015188467_100000188475 [0,0,0,1,0,1|2,0,0]=4 5460 B12R1.51 CCOC(=O)COC1CCCC1 34a_100000210269_100000188475 [0,0,0,1,0,1|1,0,0]=3 5461 B12R1.51 CCOC(=O)COC1CCCC1 7a_100000210269_100000188475 [0,0,0,1,0,1|1,0,0]=3 5462 B12R1.51 CCOC(=O)COC1CCCO1 34a_100000085407_100000188475 [0,0,0,1,0,1|0,0,0]=2 5463 B12R1.51 CCOC(=O)COC1CCSC1 7a_100011232664_100000188475 [0,0,0,1,0,1|2,0,0]=4 5464 B12R1.51 CCOC(=O)CO[C@H]1CCOC1 34a_100000717292_100000188475 [0,0,0,1,0,1|2,0,0]=4 5465 B12R1.51 CCOC(=O)CSC1CCCC1 62a_100000188475_100000179811 [0,0,0,1,0,1|1,0,0]=3 5466 B12R1.51 CCOC(=O)CSC1CCCC1 62a_100011217020_100000188475 [0,0,0,1,0,1|1,0,0]=3 5467 B12R1.51 CCOC(=O)CSC1CCOC1 62a_100000188475_100000690089 [0,0,0,1,0,1|2,0,0]=4 5468 B12R1.51 CNCC(=O)NCC1CCCO1 2230a_106832991635_100000182893 [0,0,0,1,0,1|2,0,0]=4 5469 B12R1.51 CNCC(=O)NCC1CCCO1 7a_106832991635_100000182893 [0,0,0,1,0,1|2,0,0]=4 5470 B12R1.51 CNNC(=O)CCC1CCCO1 22a_100016993582_100011247709 [0,0,0,1,0,1|2,0,0]=4 5471 B12R1.51 CNNC(=O)NC[C@@H]1CCCO1 273464a_100020590478_100016993582 [0,0,0,1,0,1|2,0,0]=4 5472 B12R1.51 CNNC(=O)NC[C@@H]1CCCO1 512a_100020590478_100016993582 [0,0,0,1,0,1|2,0,0]=4 5473 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000210968 [0,0,0,1,0,1|2,0,0]=4 5474 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000210968 [0,0,0,1,0,1|2,0,0]=4 5475 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000210968 [0,0,0,1,0,1|2,0,0]=4 5476 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000210968 [0,0,0,1,0,1|2,0,0]=4 5477 B12R1.51 CSCC(=O)NCC1CCCO1 62a_100000182893_200000210301 [0,0,0,1,0,1|2,0,0]=4 5478 B12R1.51 CSCC(=O)NCC1CCCO1 62a_200000210301_100000182893 [0,0,0,1,0,1|2,0,0]=4 5479 B12R1.51 CSCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000184570 [0,0,0,1,0,1|2,0,0]=4 5480 B12R1.51 CSCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000184570 [0,0,0,1,0,1|2,0,0]=4 5481 B12R1.51 CSCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000184570 [0,0,0,1,0,1|2,0,0]=4 5482 B12R1.51 CSCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000184570 [0,0,0,1,0,1|2,0,0]=4 5483 B12R1.51 O=C(CCF)CCC1CCCO1 1458a_100011247709_100011217306 [0,0,0,1,0,1|2,0,0]=4 5484 B12R1.51 O=C(CCO)CCC1CCCO1 1458a_100011247709_100000211926 [0,0,0,1,0,1|2,0,0]=4 5485 B12R1.51 O=C(CCO)NC[C@@H]1CCCO1 240690a_100020590478_100011216618 [0,0,0,1,0,1|2,0,0]=4 5486 B12R1.51 O=C(COC1CCCO1)NCO 34a_100000085407_100000185155 [0,0,0,1,0,1|2,0,0]=4 5487 B12R1.51 [13CH3]SCC(=O)NCC1CCCO1 62a_100000182893_200025704644 [0,0,0,1,0,1|2,0,0]=4 5488 B12R1.51 [13CH3]SCC(=O)NCC1CCCO1 62a_200025704644_100000182893 [0,0,0,1,0,1|2,0,0]=4 5489 B12R1.178 CCCN1CC(C1)C(=O)OCC 269982a_100015188541_100000210303 [0,0,0,1,0,1|2,0,0]=4 5490 B12R1.178 CCOC(=O)C1CC(C1)OCC 7a_100000093532_100000210202 [0,0,0,1,0,1|2,0,0]=4 5491 B12R1.313 CCCC(=O)[C@@H]1C[C@H](CN1C)O 1458a_100015191551_100000210303 [0,0,0,1,0,1|2,0,0]=4 5492 B12R1.313 CCNC(=O)[C@@H]1C[C@H](CN1C)O 240690a_100015525214_100015191551 [0,0,0,1,0,1|2,0,0]=4 5493 B12R1.313 CCOC(=O)[C@@H]1C[C@H](CN1C)O 2230a_100020626377_200000210301 [0,0,0,1,0,1|1,0,0]=3 5494 B12R1.313 CCOC(=O)[C@@H]1C[C@H](CN1C)O 269982a_100020626377_200000210301 [0,0,0,1,0,1|1,0,0]=3 5495 B12R1.313 CCOC(=O)[C@@H]1C[C@H](CN1[13CH3])O 2230a_100020626377_200025704644 [0,0,0,1,0,1|1,0,0]=3 5496 B12R1.313 CCOC(=O)[C@@H]1C[C@H](CN1[13CH3])O 269982a_100020626377_200025704644 [0,0,0,1,0,1|1,0,0]=3 5497 B12R1.318 CC(CCBr)OC1CCOC1=O 34a_100012276601_100000211211 [0,0,0,1,0,1|2,0,0]=4 5498 B12R1.318 CC(CCO)SC1CCOC1=O 62a_100000211211_100009893172 [0,0,0,1,0,1|2,0,0]=4 5499 B12R1.318 CC(CCO)SC1CCOC1=O 62a_100009893172_100000211211 [0,0,0,1,0,1|2,0,0]=4 5500 B12R1.318 CC=CC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100000210699 [0,0,0,1,0,1|1,0,1]=4 5501 B12R1.318 CC=CC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000210699 [0,0,0,1,0,1|1,0,1]=4 5502 B12R1.318 CCCC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000747444 [0,0,0,1,0,1|2,0,0]=4 5503 B12R1.318 CCCC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000747444 [0,0,0,1,0,1|2,0,0]=4 5504 B12R1.318 CCCC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000747444 [0,0,0,1,0,1|2,0,0]=4 5505 B12R1.318 CCCC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000747444 [0,0,0,1,0,1|2,0,0]=4 5506 B12R1.318 CCCC(=O)CN1CCOC1=O 1458a_100011227918_100000210303 [0,0,0,1,0,1|0,0,2]=4 5507 B12R1.318 CCCC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100000211992 [0,0,0,1,0,1|1,0,0]=3 5508 B12R1.318 CCCC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000211992 [0,0,0,1,0,1|1,0,0]=3 5509 B12R1.318 CCCC(=O)N[C@H]1COC[C@@H]1O 11a_100015191717_100000211992 [0,0,0,1,0,1|2,0,0]=4 5510 B12R1.318 CCCC(=O)N[C@H]1COC[C@@H]1O 240690a_100015191717_100000211992 [0,0,0,1,0,1|2,0,0]=4 5511 B12R1.318 CCCC(=O)N[C@H]1COC[C@@H]1O 527a_100015191717_100000211992 [0,0,0,1,0,1|2,0,0]=4 5512 B12R1.318 CCCC(C)NC1CCCC1=O 2230a_100000741246_100000211823 [0,0,0,1,0,1|2,0,0]=4 5513 B12R1.318 CCCC(C)NC1CCNC1=O 2230a_100016995588_100000766640 [0,0,0,1,0,1|2,0,0]=4 5514 B12R1.318 CCCC(C)NC1CCNC1=O 270004a_100016995588_100000211909 [0,0,0,1,0,1|2,0,0]=4 5515 B12R1.318 CCCC(C)NC1CCNC1=O 34a_100016995588_100000766640 [0,0,0,1,0,1|2,0,0]=4 5516 B12R1.318 CCCC(C)NC1CCOC1=O 2230a_100000741246_100000211211 [0,0,0,1,0,1|1,0,0]=3 5517 B12R1.318 CCCC(C)OC1CCCC1=O 34a_100000764384_100000709159 [0,0,0,1,0,1|2,0,0]=4 5518 B12R1.318 CCCC(C)OC1CCCC1=O 34a_200000719330_100000766640 [0,0,0,1,0,1|2,0,0]=4 5519 B12R1.318 CCCC(C)OC1CCCC1=O 7a_100000764384_100000211823 [0,0,0,1,0,1|2,0,0]=4 5520 B12R1.318 CCCC(C)OC1CCOC1=O 34a_100000764384_100000211211 [0,0,0,1,0,1|1,0,0]=3 5521 B12R1.318 CCCC(C)OC1CCOC1=O 7a_100000764384_100000211211 [0,0,0,1,0,1|1,0,0]=3 5522 B12R1.318 CCCC(C)O[C@H]1CCNC1=O 34a_100000688343_100000766640 [0,0,0,1,0,1|2,0,0]=4 5523 B12R1.318 CCCC(C)SC1CCCC1=O 62a_100000211823_100000766640 [0,0,0,1,0,1|2,0,0]=4 5524 B12R1.318 CCCC(C)SC1CCCC1=O 62a_100000766640_100000211823 [0,0,0,1,0,1|2,0,0]=4 5525 B12R1.318 CCCC(C)SC1CCOC1=O 62a_100000211211_100000766640 [0,0,0,1,0,1|1,0,0]=3 5526 B12R1.318 CCCC(C)SC1CCOC1=O 62a_100000766640_100000211211 [0,0,0,1,0,1|1,0,0]=3 5527 B12R1.318 CCNC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000183381 [0,0,0,1,0,1|2,0,0]=4 5528 B12R1.318 CCNC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000183381 [0,0,0,1,0,1|2,0,0]=4 5529 B12R1.318 CCNC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000183381 [0,0,0,1,0,1|2,0,0]=4 5530 B12R1.318 CCNC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000183381 [0,0,0,1,0,1|2,0,0]=4 5531 B12R1.318 CCNC(=O)CN1CCC[C@H]1C 34a_100015189458_100000183381 [0,0,0,1,0,1|2,0,0]=4 5532 B12R1.318 CCNC(=O)N[C@H]1CCC[C@@H]1O 2708a_100015525214_100000748460 [0,0,0,1,0,1|1,0,0]=3 5533 B12R1.318 CCNC(=O)N[C@H]1CCC[C@@H]1O 273464a_100000748460_100015525214 [0,0,0,1,0,1|1,0,0]=3 5534 B12R1.318 CCNC(=O)N[C@H]1CCC[C@@H]1O 273464a_100015525214_100000748460 [0,0,0,1,0,1|1,0,0]=3 5535 B12R1.318 CCNC(=O)N[C@H]1COC[C@@H]1O 2708a_100015525214_100015191717 [0,0,0,1,0,1|2,0,0]=4 5536 B12R1.318 CCNC(=O)N[C@H]1COC[C@@H]1O 273464a_100015191717_100015525214 [0,0,0,1,0,1|2,0,0]=4 5537 B12R1.318 CCNC(=O)N[C@H]1COC[C@@H]1O 273464a_100015525214_100015191717 [0,0,0,1,0,1|2,0,0]=4 5538 B12R1.318 CCNC(=O)N[C@H]1COC[C@@H]1O 512a_100015525214_100015191717 [0,0,0,1,0,1|2,0,0]=4 5539 B12R1.318 CCOC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000188475 [0,0,0,1,0,1|1,0,0]=3 5540 B12R1.318 CCOC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000188475 [0,0,0,1,0,1|1,0,0]=3 5541 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000188475 [0,0,0,1,0,1|1,0,0]=3 5542 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000188475 [0,0,0,1,0,1|1,0,0]=3 5543 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 34a_100015189458_100000188475 [0,0,0,1,0,1|1,0,0]=3 5544 B12R1.318 CCOC(=O)CN1CCSC1C 2230a_200011216479_100000188475 [0,0,0,1,0,1|2,0,0]=4 5545 B12R1.318 CCOC(=O)CN1CCSC1C 269982a_200011216479_100000188475 [0,0,0,1,0,1|2,0,0]=4 5546 B12R1.318 CCOC(=O)CN1CCSC1C 34a_200011216479_100000188475 [0,0,0,1,0,1|2,0,0]=4 5547 B12R1.318 CNNC(=O)N[C@H]1CCC[C@@H]1O 273464a_100000748460_100016993582 [0,0,0,1,0,1|2,0,0]=4 5548 B12R1.318 COCC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100000210968 [0,0,0,1,0,1|2,0,0]=4 5549 B12R1.318 COCC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000210968 [0,0,0,1,0,1|2,0,0]=4 5550 B12R1.318 COCC(C)SC1CCOC1=O 62a_100000211211_100000765312 [0,0,0,1,0,1|2,0,0]=4 5551 B12R1.318 COCC(C)SC1CCOC1=O 62a_100000765312_100000211211 [0,0,0,1,0,1|2,0,0]=4 5552 B12R1.318 COC[C@@H](C)NC1CCOC1=O 2230a_100000764878_100000211211 [0,0,0,1,0,1|2,0,0]=4 5553 B12R1.318 COC[C@@H](C)OC1CCOC1=O 34a_100011934205_100000211211 [0,0,0,1,0,1|2,0,0]=4 5554 B12R1.318 CSCC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100000184570 [0,0,0,1,0,1|2,0,0]=4 5555 B12R1.318 CSCC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000184570 [0,0,0,1,0,1|2,0,0]=4 5556 B12R1.318 C[C@H](CCO)NC1CCOC1=O 2230a_100000706166_100000211211 [0,0,0,1,0,1|2,0,0]=4 5557 B12R1.318 C[C@H](CCO)NC1CCOC1=O 34a_100000706166_100000211211 [0,0,0,1,0,1|2,0,0]=4 5558 B12R1.318 O=C(CCO)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100011216618 [0,0,0,1,0,1|2,0,0]=4 5559 B12R1.467 CCOC(=O)CCN1CC(C1)C 2230a_100000702820_100011206558 [0,0,0,1,0,1|2,0,0]=4 5560 B12R1.467 CCOC(=O)CCN1CC(C1)C 269982a_100000702820_100011206558 [0,0,0,1,0,1|2,0,0]=4 5561 B12R1.467 CCOC(=O)CCN1CC(C1)C 34a_100000702820_100000765890 [0,0,0,1,0,1|2,0,0]=4 5562 B12R1.467 CCOC(=O)CNC1CC(C1)F 2230a_100016993743_100000188475 [0,0,0,1,0,1|2,0,0]=4 5563 B12R1.467 CCOC(=O)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000188475 [0,0,0,1,0,1|2,0,0]=4 5564 B12R1.686 CC=CC(=O)NCC(O)C1CC1 11a_100000751198_100000210699 [0,0,0,1,0,1|1,0,1]=4 5565 B12R1.686 CC=CC(=O)NCC(O)C1CC1 240690a_100000751198_100000210699 [0,0,0,1,0,1|1,0,1]=4 5566 B12R1.686 CCCC(=O)CNC(C)C1CC1 2230a_100000700016_100000747444 [0,0,0,1,0,1|2,0,0]=4 5567 B12R1.686 CCCC(=O)COC(C)C1CC1 1458a_200000137917_100000210303 [0,0,0,1,0,1|2,0,0]=4 5568 B12R1.686 CCCC(=O)COC(C)C1CC1 7a_100000744524_100000747444 [0,0,0,1,0,1|2,0,0]=4 5569 B12R1.686 CCCC(=O)NCC(O)C1CC1 11a_100000751198_100000211992 [0,0,0,1,0,1|1,0,0]=3 5570 B12R1.686 CCCC(=O)NCC(O)C1CC1 240690a_100000751198_100000211992 [0,0,0,1,0,1|1,0,0]=3 5571 B12R1.686 CCCC(=O)NCC(O)C1CC1 527a_100000751198_100000211992 [0,0,0,1,0,1|1,0,0]=3 5572 B12R1.686 CCCC(C)NCC(=O)C1CC1 2230a_100000741246_100000746382 [0,0,0,1,0,1|2,0,0]=4 5573 B12R1.686 CCCC(C)OCC(=O)C1CC1 34a_100000686663_100000766640 [0,0,0,1,0,1|2,0,0]=4 5574 B12R1.686 CCCC(C)OCC(=O)C1CC1 34a_100000764384_100000746382 [0,0,0,1,0,1|2,0,0]=4 5575 B12R1.686 CCCC(C)OCC(=O)C1CC1 7a_100000764384_100000746382 [0,0,0,1,0,1|2,0,0]=4 5576 B12R1.686 CCCC(C)SCC(=O)C1CC1 62a_100000746382_100000766640 [0,0,0,1,0,1|2,0,0]=4 5577 B12R1.686 CCCC(C)SCC(=O)C1CC1 62a_100000766640_100000746382 [0,0,0,1,0,1|2,0,0]=4 5578 B12R1.686 CCNC(=O)CNC(C)C1CC1 2230a_100000700016_100000183381 [0,0,0,1,0,1|2,0,0]=4 5579 B12R1.686 CCNC(=O)CNC(C)C1CC1 34a_100000700016_100000183381 [0,0,0,1,0,1|2,0,0]=4 5580 B12R1.686 CCNC(=O)COC(C)C1CC1 11a_100015525214_200000137917 [0,0,0,1,0,1|2,0,0]=4 5581 B12R1.686 CCNC(=O)COC(C)C1CC1 240690a_100015525214_200000137917 [0,0,0,1,0,1|2,0,0]=4 5582 B12R1.686 CCNC(=O)COC(C)C1CC1 34a_100000744524_100000183381 [0,0,0,1,0,1|2,0,0]=4 5583 B12R1.686 CCNC(=O)COC(C)C1CC1 527a_100015525214_200000137917 [0,0,0,1,0,1|2,0,0]=4 5584 B12R1.686 CCNC(=O)COC(C)C1CC1 7a_100000744524_100000183381 [0,0,0,1,0,1|2,0,0]=4 5585 B12R1.686 CCNC(=O)NCC(O)C1CC1 2708a_100015525214_100000751198 [0,0,0,1,0,1|1,0,0]=3 5586 B12R1.686 CCNC(=O)NCC(O)C1CC1 273464a_100000751198_100015525214 [0,0,0,1,0,1|1,0,0]=3 5587 B12R1.686 CCNC(=O)NCC(O)C1CC1 273464a_100015525214_100000751198 [0,0,0,1,0,1|1,0,0]=3 5588 B12R1.686 CCNC(=O)NCC(O)C1CC1 512a_100015525214_100000751198 [0,0,0,1,0,1|1,0,0]=3 5589 B12R1.686 CCOC(=O)CCN(C)C1CC1 2230a_100000226674_100011206558 [0,0,0,1,0,1|2,0,0]=4 5590 B12R1.686 CCOC(=O)CCN(C)C1CC1 269982a_100000226674_100011206558 [0,0,0,1,0,1|2,0,0]=4 5591 B12R1.686 CCOC(=O)CCN(C)C1CC1 269982a_100000745921_100000211595 [0,0,0,1,0,1|2,0,0]=4 5592 B12R1.686 CCOC(=O)CNC(=O)C1CC1 188690a_100000741813_100000210395 [0,0,0,1,0,1|0,0,2]=4 5593 B12R1.686 CCOC(=O)CNC(C)C1CC1 2230a_100000700016_100000188475 [0,0,0,1,0,1|1,0,0]=3 5594 B12R1.686 CCOC(=O)CNC(C)C1CC1 34a_100000700016_100000188475 [0,0,0,1,0,1|1,0,0]=3 5595 B12R1.686 CCOC(=O)COC(C)C1CC1 34a_100000744524_100000188475 [0,0,0,1,0,1|1,0,0]=3 5596 B12R1.686 CCOC(=O)COC(C)C1CC1 7a_100000744524_100000188475 [0,0,0,1,0,1|1,0,0]=3 5597 B12R1.686 CNNC(=O)NCC(O)C1CC1 273464a_100000751198_100016993582 [0,0,0,1,0,1|2,0,0]=4 5598 B12R1.686 CNNC(=O)NCC(O)C1CC1 512a_100016993582_100000751198 [0,0,0,1,0,1|2,0,0]=4 5599 B12R1.686 COCC(=O)NCC(O)C1CC1 11a_100000751198_100000210968 [0,0,0,1,0,1|2,0,0]=4 5600 B12R1.686 COCC(=O)NCC(O)C1CC1 240690a_100000751198_100000210968 [0,0,0,1,0,1|2,0,0]=4 5601 B12R1.686 COCC(=O)NCC(O)C1CC1 527a_100000751198_100000210968 [0,0,0,1,0,1|2,0,0]=4 5602 B12R1.686 COCC(O)CNC(=O)C1CC1 240690a_100000756049_100000210395 [0,0,0,1,0,1|2,0,0]=4 5603 B12R1.686 COCC(O)CNC(=O)C1CC1 527a_100000756049_100000210395 [0,0,0,1,0,1|2,0,0]=4 5604 B12R1.686 CSCC(=O)NCC(O)C1CC1 11a_100000751198_100000184570 [0,0,0,1,0,1|2,0,0]=4 5605 B12R1.686 CSCC(=O)NCC(O)C1CC1 240690a_100000751198_100000184570 [0,0,0,1,0,1|2,0,0]=4 5606 B12R1.686 CSCC(=O)NCC(O)C1CC1 527a_100000751198_100000184570 [0,0,0,1,0,1|2,0,0]=4 5607 B12R1.686 O=C(CCO)NCC(O)C1CC1 240690a_100000751198_100011216618 [0,0,0,1,0,1|2,0,0]=4 5608 B12R1.1573 CC=CC(=O)NCC1(CCC1)O 11a_100000752638_100000210699 [0,0,0,1,0,1|1,0,1]=4 5609 B12R1.1573 CC=CC(=O)NCC1(CCC1)O 1626a_100000752638_100000210699 [0,0,0,1,0,1|1,0,1]=4 5610 B12R1.1573 CC=CC(=O)NCC1(CCC1)O 240690a_100000752638_100000210699 [0,0,0,1,0,1|1,0,1]=4 5611 B12R1.1573 CCCC(=O)CNC1(CCC1)C 2230a_100000692455_100000747444 [0,0,0,1,0,1|2,0,0]=4 5612 B12R1.1573 CCCC(=O)COC1(CCC1)C 7a_100000759064_100000747444 [0,0,0,1,0,1|2,0,0]=4 5613 B12R1.1573 CCCC(=O)NCC1(CCC1)C 11a_100000706607_100000211992 [0,0,0,1,0,1|2,0,0]=4 5614 B12R1.1573 CCCC(=O)NCC1(CCC1)C 1626a_100000706607_100000211992 [0,0,0,1,0,1|2,0,0]=4 5615 B12R1.1573 CCCC(=O)NCC1(CCC1)C 240690a_100000706607_100000211992 [0,0,0,1,0,1|2,0,0]=4 5616 B12R1.1573 CCCC(=O)NCC1(CCC1)C 527a_100000706607_100000211992 [0,0,0,1,0,1|2,0,0]=4 5617 B12R1.1573 CCCC(=O)NCC1(CCC1)O 11a_100000752638_100000211992 [0,0,0,1,0,1|1,0,0]=3 5618 B12R1.1573 CCCC(=O)NCC1(CCC1)O 1626a_100000752638_100000211992 [0,0,0,1,0,1|1,0,0]=3 5619 B12R1.1573 CCCC(=O)NCC1(CCC1)O 240690a_100000752638_100000211992 [0,0,0,1,0,1|1,0,0]=3 5620 B12R1.1573 CCCC(=O)NCC1(CCC1)O 527a_100000752638_100000211992 [0,0,0,1,0,1|1,0,0]=3 5621 B12R1.1573 CCCC(=O)NCC1(COC1)O 11a_100010264505_100000211992 [0,0,0,1,0,1|2,0,0]=4 5622 B12R1.1573 CCCC(=O)NCC1(COC1)O 240690a_100010264505_100000211992 [0,0,0,1,0,1|2,0,0]=4 5623 B12R1.1573 CCCC(=O)NCC1(COC1)O 527a_100010264505_100000211992 [0,0,0,1,0,1|2,0,0]=4 5624 B12R1.1573 CCNC(=O)CNC1(CCC1)C 2230a_100000692455_100000183381 [0,0,0,1,0,1|2,0,0]=4 5625 B12R1.1573 CCNC(=O)CNC1(CCC1)C 34a_100000692455_100000183381 [0,0,0,1,0,1|2,0,0]=4 5626 B12R1.1573 CCNC(=O)COC1(CCC1)C 34a_100000759064_100000183381 [0,0,0,1,0,1|2,0,0]=4 5627 B12R1.1573 CCNC(=O)COC1(CCC1)C 7a_100000759064_100000183381 [0,0,0,1,0,1|2,0,0]=4 5628 B12R1.1573 CCNC(=O)NCC1(CCC1)C 2708a_100000706607_100015525214 [0,0,0,1,0,1|2,0,0]=4 5629 B12R1.1573 CCNC(=O)NCC1(CCC1)C 2708a_100015525214_100000706607 [0,0,0,1,0,1|2,0,0]=4 5630 B12R1.1573 CCNC(=O)NCC1(CCC1)C 273464a_100000706607_100015525214 [0,0,0,1,0,1|2,0,0]=4 5631 B12R1.1573 CCNC(=O)NCC1(CCC1)C 273464a_100015525214_100000706607 [0,0,0,1,0,1|2,0,0]=4 5632 B12R1.1573 CCNC(=O)NCC1(CCC1)C 512a_100000706607_100015525214 [0,0,0,1,0,1|2,0,0]=4 5633 B12R1.1573 CCNC(=O)NCC1(CCC1)C 512a_100015525214_100000706607 [0,0,0,1,0,1|2,0,0]=4 5634 B12R1.1573 CCNC(=O)NCC1(CCC1)O 2708a_100000752638_100015525214 [0,0,0,1,0,1|1,0,0]=3 5635 B12R1.1573 CCNC(=O)NCC1(CCC1)O 2708a_100015525214_100000752638 [0,0,0,1,0,1|1,0,0]=3 5636 B12R1.1573 CCNC(=O)NCC1(CCC1)O 273464a_100015525214_100000752638 [0,0,0,1,0,1|1,0,0]=3 5637 B12R1.1573 CCNC(=O)NCC1(CCC1)O 512a_100000752638_100015525214 [0,0,0,1,0,1|1,0,0]=3 5638 B12R1.1573 CCNC(=O)NCC1(CCC1)O 512a_100015525214_100000752638 [0,0,0,1,0,1|1,0,0]=3 5639 B12R1.1573 CCNC(=O)NCC1(COC1)O 2708a_100010264505_100015525214 [0,0,0,1,0,1|2,0,0]=4 5640 B12R1.1573 CCNC(=O)NCC1(COC1)O 2708a_100015525214_100010264505 [0,0,0,1,0,1|2,0,0]=4 5641 B12R1.1573 CCNC(=O)NCC1(COC1)O 273464a_100010264505_100015525214 [0,0,0,1,0,1|2,0,0]=4 5642 B12R1.1573 CCNC(=O)NCC1(COC1)O 273464a_100015525214_100010264505 [0,0,0,1,0,1|2,0,0]=4 5643 B12R1.1573 CCNC(=O)NCC1(COC1)O 512a_100010264505_100015525214 [0,0,0,1,0,1|2,0,0]=4 5644 B12R1.1573 CCNC(=O)NCC1(COC1)O 512a_100015525214_100010264505 [0,0,0,1,0,1|2,0,0]=4 5645 B12R1.1573 CCOC(=O)CNC1(CCC1)C 2230a_100000692455_100000188475 [0,0,0,1,0,1|1,0,0]=3 5646 B12R1.1573 CCOC(=O)CNC1(CCC1)C 34a_100000692455_100000188475 [0,0,0,1,0,1|1,0,0]=3 5647 B12R1.1573 CCOC(=O)CNC1(COC1)C 2230a_100000732644_100000188475 [0,0,0,1,0,1|2,0,0]=4 5648 B12R1.1573 CCOC(=O)COC1(CCC1)C 34a_100000759064_100000188475 [0,0,0,1,0,1|1,0,0]=3 5649 B12R1.1573 CCOC(=O)COC1(CCC1)C 7a_100000759064_100000188475 [0,0,0,1,0,1|1,0,0]=3 5650 B12R1.1573 CCOC(=O)COC1(CSC1)C 7a_100016018533_100000188475 [0,0,0,1,0,1|2,0,0]=4 5651 B12R1.1573 CNNC(=O)NCC1(CCC1)O 512a_100000752638_100016993582 [0,0,0,1,0,1|2,0,0]=4 5652 B12R1.1573 CNNC(=O)NCC1(CCC1)O 512a_100016993582_100000752638 [0,0,0,1,0,1|2,0,0]=4 5653 B12R1.1573 COCC(=O)NCC1(CCC1)O 11a_100000752638_100000210968 [0,0,0,1,0,1|2,0,0]=4 5654 B12R1.1573 COCC(=O)NCC1(CCC1)O 1626a_100000752638_100000210968 [0,0,0,1,0,1|2,0,0]=4 5655 B12R1.1573 COCC(=O)NCC1(CCC1)O 240690a_100000752638_100000210968 [0,0,0,1,0,1|2,0,0]=4 5656 B12R1.1573 COCC(=O)NCC1(CCC1)O 527a_100000752638_100000210968 [0,0,0,1,0,1|2,0,0]=4 5657 B12R1.1573 CSCC(=O)NCC1(CCC1)O 11a_100000752638_100000184570 [0,0,0,1,0,1|2,0,0]=4 5658 B12R1.1573 CSCC(=O)NCC1(CCC1)O 1626a_100000752638_100000184570 [0,0,0,1,0,1|2,0,0]=4 5659 B12R1.1573 CSCC(=O)NCC1(CCC1)O 240690a_100000752638_100000184570 [0,0,0,1,0,1|2,0,0]=4 5660 B12R1.1573 CSCC(=O)NCC1(CCC1)O 527a_100000752638_100000184570 [0,0,0,1,0,1|2,0,0]=4 5661 B12R1.1573 O=C(CCO)NCC1(CCC1)O 240690a_100000752638_100011216618 [0,0,0,1,0,1|2,0,0]=4 5662 B12R1.31 CCCC(=O)CC1CCN(C1)C 1458a_100000211992_200000690779 [0,1,0,1,0,0|2,0,0]=4 5663 B12R1.31 CCOC(=O)CN1CCC(C1)O 2230a_100011215560_100000188475 [0,1,0,1,0,0|2,0,0]=4 5664 B12R1.31 CCOC(=O)CN1CCC(C1)O 269982a_100011215560_100000188475 [0,1,0,1,0,0|2,0,0]=4 5665 B12R1.31 CCOC(=O)CN1CC[C@@H](C1)F 2230a_100015203821_100000188475 [0,1,0,1,0,0|2,0,0]=4 5666 B12R1.31 CCOC(=O)CN1CC[C@@H](C1)F 269982a_100015203821_100000188475 [0,1,0,1,0,0|2,0,0]=4 5667 B12R1.31 CCOC(=O)CN1CC[C@@H](C1)F 34a_100015203821_100000188475 [0,1,0,1,0,0|2,0,0]=4 5668 B12R1.31 CCOC(=O)CN1CC[C@H](C1)C 2230a_100016987628_100000188475 [0,1,0,1,0,0|2,0,0]=4 5669 B12R1.31 CCOC(=O)CN1CC[C@H](C1)C 269982a_100016987628_100000188475 [0,1,0,1,0,0|2,0,0]=4 5670 B12R1.31 CCOC(=O)CN1CC[C@H](C1)C 34a_100016987628_100000188475 [0,1,0,1,0,0|2,0,0]=4 5671 B12R1.31 CCOC(=O)C[C@H]1CCN(C1)C 2230a_106256037354_200000210301 [0,1,0,1,0,0|1,0,0]=3 5672 B12R1.31 CCOC(=O)C[C@H]1CCN(C1)C 269982a_106256037354_200000210301 [0,1,0,1,0,0|1,0,0]=3 5673 B12R1.31 CCOC(=O)C[C@H]1CCN(C1)[13CH3] 2230a_106256037354_200025704644 [0,1,0,1,0,0|1,0,0]=3 5674 B12R1.31 CCOC(=O)C[C@H]1CCN(C1)[13CH3] 269982a_106256037354_200025704644 [0,1,0,1,0,0|1,0,0]=3 5675 B12R1.144 CC(C)CC(=O)C1CCCC1C 1458a_100000690547_100000210624 [0,1,0,1,0,0|2,0,0]=4 5676 B12R1.144 CC(C)CC(=O)C1CCOC1=O 1458a_100000210554_100000211211 [0,1,0,1,0,0|0,0,2]=4 5677 B12R1.144 CC(C)CN(C)C1CCOC1=O 2230a_100000747067_100000211211 [0,1,0,1,0,0|2,0,0]=4 5678 B12R1.144 CC(C)CN(C)C1CCOC1=O 269982a_100000747067_100000211211 [0,1,0,1,0,0|2,0,0]=4 5679 B12R1.144 CC(C)NC(=O)C1CCCC1C 11a_100138425928_100000690547 [0,1,0,1,0,0|2,0,0]=4 5680 B12R1.144 CC(C)NC(=O)C1CCCC1C 1626a_100138425928_100000690547 [0,1,0,1,0,0|2,0,0]=4 5681 B12R1.144 CC(C)NC(=O)C1CCCC1C 240690a_100138425928_100000690547 [0,1,0,1,0,0|2,0,0]=4 5682 B12R1.144 CC(C)NC(=O)C1CCCC1C 527a_100138425928_100000690547 [0,1,0,1,0,0|2,0,0]=4 5683 B12R1.144 CC(O)CC(=O)C1CCCC1C 1458a_100000690547_100011218427 [0,1,0,1,0,0|2,0,0]=4 5684 B12R1.144 CC(O)CN(C)C1CCOC1=O 2230a_100000227577_100000211211 [0,1,0,1,0,0|2,0,0]=4 5685 B12R1.144 CC(O)CN(C)C1CCOC1=O 269982a_100000227577_100000211211 [0,1,0,1,0,0|2,0,0]=4 5686 B12R1.144 C[C@@H](O)CC(=O)C1CCOC1=O 1458a_100011933948_100000211211 [0,1,0,1,0,0|0,0,2]=4 5687 B12R1.260 CC(=CC(=O)CC1CCCO1)C 1458a_100000211388_100000203698 [0,1,0,1,0,0|1,0,1]=4 5688 B12R1.260 CC(=CC(=O)CC1CCCO1)Cl 1458a_200042562850_100000203698 [0,1,0,1,0,0|1,0,1]=4 5689 B12R1.260 CC(=CC(=O)CC1CCCO1)I 1458a_100025716642_100000203698 [0,1,0,1,0,0|1,0,1]=4 5690 B12R1.260 CC(C)CC(=O)CC1CCCC1 1458a_100000210554_100000740388 [0,1,0,1,0,0|2,0,0]=4 5691 B12R1.260 CC(C)CC(=O)CC1CCCC1 1458a_100000210891_100000210624 [0,1,0,1,0,0|2,0,0]=4 5692 B12R1.260 CC(C)CC(=O)CC1CCCO1 1458a_100000210554_100000203698 [0,1,0,1,0,0|1,0,0]=3 5693 B12R1.260 CC(C)CC(=O)CC1OCCO1 1458a_100000210554_100000755774 [0,1,0,1,0,0|2,0,0]=4 5694 B12R1.260 CC(C)NC(=O)CC1CCCC1 11a_100138425928_100000210891 [0,1,0,1,0,0|2,0,0]=4 5695 B12R1.260 CC(C)NC(=O)CC1CCCC1 1626a_100138425928_100000210891 [0,1,0,1,0,0|2,0,0]=4 5696 B12R1.260 CC(C)NC(=O)CC1CCCC1 240690a_100138425928_100000210891 [0,1,0,1,0,0|2,0,0]=4 5697 B12R1.260 CC(C)NC(=O)CC1CCCC1 527a_100138425928_100000210891 [0,1,0,1,0,0|2,0,0]=4 5698 B12R1.260 CC(C)OC(=O)CN1CCCC1 2230a_100000188435_100011215430 [0,1,0,1,0,0|2,0,0]=4 5699 B12R1.260 CC(C)OC(=O)CN1CCCC1 269982a_100000188435_100011215430 [0,1,0,1,0,0|2,0,0]=4 5700 B12R1.260 CC(O)CC(=O)CC1CCCC1 1458a_100000210891_100011218427 [0,1,0,1,0,0|2,0,0]=4 5701 B12R1.260 CN(C)CC(=O)CC1CCCO1 1458a_100000750896_100000203698 [0,1,0,1,0,0|2,0,0]=4 5702 B12R1.260 C[C@@H](O)CC(=O)CC1CCCC1 1458a_100011933948_100000740388 [0,1,0,1,0,0|2,0,0]=4 5703 B12R1.260 C[C@@H](O)CC(=O)CC1CCCO1 1458a_100011933948_100000203698 [0,1,0,1,0,0|1,0,0]=3 5704 B12R1.260 C[C@@H](O)CC(=O)CC1OCCO1 1458a_100011933948_100000755774 [0,1,0,1,0,0|2,0,0]=4 5705 B12R1.260 C[S+](C)CC(=O)CC1CCCO1 1458a_200159257847_100000203698 [0,1,0,1,0,0|2,0,0]=4 5706 B12R1.521 CCCC(C)CC(=O)CC1CC1 1458a_100000738066_100011216630 [0,1,0,1,0,0|2,0,0]=4 5707 B12R1.521 CCCC(C)CC(=O)CC1CC1 1458a_100000748435_100000742324 [0,1,0,1,0,0|2,0,0]=4 5708 B12R1.521 CCCC(C)CC(=O)CC1CO1 1458a_100000748435_100011216344 [0,1,0,1,0,0|2,0,0]=4 5709 B12R1.521 CCCC(C)CC(=O)CC1CS1 1458a_100000748435_100000031435 [0,1,0,1,0,0|2,0,0]=4 5710 B12R1.521 CCCC(C)CC(=O)C[C@@H]1CO1 1458a_100000748435_100000745022 [0,1,0,1,0,0|2,0,0]=4 5711 B12R1.521 CCCC(C)CC(=O)NC1CC1 1626a_100000212008_100000748435 [0,1,0,1,0,0|2,0,0]=4 5712 B12R1.521 CCCC(C)CC(=O)NC1CC1 240690a_100000212008_100000748435 [0,1,0,1,0,0|2,0,0]=4 5713 B12R1.521 CCCC(C)CC(=O)NC1CC1 527a_100000212008_100000748435 [0,1,0,1,0,0|2,0,0]=4 5714 B12R1.521 CCOC(=O)CC(=O)CC1CC1 1458a_100000243816_100000742324 [0,1,0,1,0,0|0,0,2]=4 5715 B12R1.521 CCOC(=O)CC(=O)CC1CC1 1458a_100000738066_100000188475 [0,1,0,1,0,0|0,0,2]=4 5716 B12R1.521 CCOC(=O)CC(=O)CC1CO1 1458a_100000243816_100011216344 [0,1,0,1,0,0|0,0,2]=4 5717 B12R1.521 CCOC(=O)CC(=O)CC1CS1 1458a_100000243816_100000031435 [0,1,0,1,0,0|0,0,2]=4 5718 B12R1.521 CCOC(=O)CC(=O)C[C@@H]1CO1 1458a_100000243816_100000745022 [0,1,0,1,0,0|0,0,2]=4 5719 B12R1.521 CCOC(=O)CC(=O)NC1CC1 240690a_100000212008_100000243816 [0,1,0,1,0,0|0,0,2]=4 5720 B12R1.521 CCOC(=O)CC(C)SC1CC1 62a_100009817359_100000211595 [0,1,0,1,0,0|1,0,0]=3 5721 B12R1.521 CCOC(=O)CN(C)CC1CC1 2230a_100000220588_100000742324 [0,1,0,1,0,0|2,0,0]=4 5722 B12R1.521 CCOC(=O)CN(C)CC1CC1 2230a_100000741881_100000188475 [0,1,0,1,0,0|2,0,0]=4 5723 B12R1.521 CCOC(=O)CN(C)CC1CC1 269982a_100000741881_100000188475 [0,1,0,1,0,0|2,0,0]=4 5724 B12R1.521 CCOC(=O)CN(C)CC1CO1 2230a_100000220588_100011216344 [0,1,0,1,0,0|2,0,0]=4 5725 B12R1.521 CCOC(=O)OC(C)SC1CC1 62a_100000036008_100000211595 [0,1,0,1,0,0|2,0,0]=4 5726 B12R1.1061 CC1CN(C1)CC(=O)OC(C)C 2230a_100000702820_100011215430 [0,1,0,1,0,0|2,0,0]=4 5727 B12R1.1061 CC1CN(C1)CC(=O)OC(C)C 269982a_100000702820_100011215430 [0,1,0,1,0,0|2,0,0]=4 5728 B12R1.1061 CC1CN(C1)CC(=O)OC(C)C 34a_100000702820_100011215430 [0,1,0,1,0,0|2,0,0]=4 5729 B12R1.1620 CCOC(=O)CN1CC(C1)(C)C 2230a_100000753659_100000188475 [0,1,0,1,0,0|2,0,0]=4 5730 B12R1.1620 CCOC(=O)CN1CC(C1)(C)C 269982a_100000753659_100000188475 [0,1,0,1,0,0|2,0,0]=4 5731 B12R1.1620 CCOC(=O)CN1CC(C1)(C)F 2230a_100000696199_100000188475 [0,1,0,1,0,0|2,0,0]=4 5732 B12R1.1620 CCOC(=O)CN1CC(C1)(C)F 269982a_100000696199_100000188475 [0,1,0,1,0,0|2,0,0]=4 5733 B12R1.1620 CCOC(=O)CN1CC(C1)(C)O 2230a_100000718560_100000188475 [0,1,0,1,0,0|2,0,0]=4 5734 B12R1.1620 CCOC(=O)CN1CC(C1)(C)O 269982a_100000718560_100000188475 [0,1,0,1,0,0|2,0,0]=4 5735 B12R1.1811 CC(C)OC(=O)CC(=O)C1CC1 1458a_100000210395_100011215430 [0,1,0,1,0,0|0,0,2]=4 5736 B12R1.1811 CC(C)OC(=O)CN(C)C1CC1 2230a_100000226674_100011215430 [0,1,0,1,0,0|2,0,0]=4 5737 B12R1.1811 CC(C)OC(=O)CN(C)C1CC1 269982a_100000226674_100011215430 [0,1,0,1,0,0|2,0,0]=4 5738 B12R1.2686 CC(C)CC(=O)CC1(CCC1)C 1458a_100000210554_100000726658 [0,1,0,1,0,0|2,0,0]=4 5739 B12R1.2686 C[C@@H](O)CC(=O)CC1(CCC1)C 1458a_100011933948_100000726658 [0,1,0,1,0,0|2,0,0]=4 5740 B12R1.3418 CCCC(C)CC(=O)C1CC1C 1458a_100000211227_100011216630 [0,1,0,1,0,0|2,0,0]=4 5741 B12R1.3418 CCCC(C)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011216630 [0,1,0,1,0,0|2,0,0]=4 5742 B12R1.3418 CCOC(=O)CC(=O)C1CC1C 1458a_100000211227_100000188475 [0,1,0,1,0,0|0,0,2]=4 5743 B12R1.3418 CCOC(=O)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000188475 [0,1,0,1,0,0|0,0,2]=4 5744 B12R1.32 CC#CC(=O)CC1CCCCO1 1458a_100000763181_100000211543 [0,1,0,1,0,0|1,0,1]=4 5745 B12R1.32 CC#CC(=O)CC1CCCOC1 1458a_100000763181_100000741521 [0,1,0,1,0,0|1,0,1]=4 5746 B12R1.32 CC=CC(=O)CC1CCCCO1 1458a_100000210699_100000211543 [0,1,0,1,0,0|1,0,1]=4 5747 B12R1.32 CC=CC(=O)CC1CCCOC1 1458a_100000210699_100000741521 [0,1,0,1,0,0|1,0,1]=4 5748 B12R1.32 CCCC(=O)CC1CCCCC1 1458a_100000211666_100000210303 [0,1,0,1,0,0|2,0,0]=4 5749 B12R1.32 CCCC(=O)CC1CCCCC1 1458a_100000211992_100000211423 [0,1,0,1,0,0|2,0,0]=4 5750 B12R1.32 CCCC(=O)CC1CCCCO1 1458a_100000211992_100000211543 [0,1,0,1,0,0|1,0,0]=3 5751 B12R1.32 CCCC(=O)CC1CCCCO1 1458a_100000238585_100000210303 [0,1,0,1,0,0|1,0,0]=3 5752 B12R1.32 CCCC(=O)CC1CCCOC1 1458a_100000211992_100000741521 [0,1,0,1,0,0|1,0,0]=3 5753 B12R1.32 CCCC(=O)CC1CCCOC1 1458a_100000741523_100000210303 [0,1,0,1,0,0|1,0,0]=3 5754 B12R1.32 CCCC(=O)CC1CCOCC1 1458a_100000211992_100000754603 [0,1,0,1,0,0|2,0,0]=4 5755 B12R1.32 CCCC(=O)CC1CCOCC1 1458a_100000757261_100000210303 [0,1,0,1,0,0|2,0,0]=4 5756 B12R1.32 CCCC(=O)CN1CCCOC1 2230a_100000131196_100000747444 [0,1,0,1,0,0|2,0,0]=4 5757 B12R1.32 CCCC(=O)CN1CCCOC1 269982a_100000131196_100000747444 [0,1,0,1,0,0|2,0,0]=4 5758 B12R1.32 CCCC(=O)NC1CCCOC1 11a_100000719290_100000211992 [0,1,0,1,0,0|2,0,0]=4 5759 B12R1.32 CCCC(=O)NC1CCCOC1 1626a_100000719290_100000211992 [0,1,0,1,0,0|2,0,0]=4 5760 B12R1.32 CCCC(=O)NC1CCCOC1 240690a_100000719290_100000211992 [0,1,0,1,0,0|2,0,0]=4 5761 B12R1.32 CCCC(=O)NC1CCCOC1 527a_100000719290_100000211992 [0,1,0,1,0,0|2,0,0]=4 5762 B12R1.32 CCNC(=O)CC1CCCCC1 11a_100015525214_100000211666 [0,1,0,1,0,0|2,0,0]=4 5763 B12R1.32 CCNC(=O)CC1CCCCC1 240690a_100015525214_100000211666 [0,1,0,1,0,0|2,0,0]=4 5764 B12R1.32 CCNC(=O)CC1CCCCC1 527a_100015525214_100000211666 [0,1,0,1,0,0|2,0,0]=4 5765 B12R1.32 CCNC(=O)CC1CCCCO1 11a_100015525214_100000238585 [0,1,0,1,0,0|1,0,0]=3 5766 B12R1.32 CCNC(=O)CC1CCCCO1 240690a_100015525214_100000238585 [0,1,0,1,0,0|1,0,0]=3 5767 B12R1.32 CCNC(=O)CC1CCCCO1 527a_100015525214_100000238585 [0,1,0,1,0,0|1,0,0]=3 5768 B12R1.32 CCNC(=O)CC1CCCOC1 11a_100015525214_100000741523 [0,1,0,1,0,0|1,0,0]=3 5769 B12R1.32 CCNC(=O)CC1CCCOC1 240690a_100015525214_100000741523 [0,1,0,1,0,0|1,0,0]=3 5770 B12R1.32 CCNC(=O)CC1CCCOC1 527a_100015525214_100000741523 [0,1,0,1,0,0|1,0,0]=3 5771 B12R1.32 CCNC(=O)CC1CCOCC1 11a_100015525214_100000757261 [0,1,0,1,0,0|2,0,0]=4 5772 B12R1.32 CCNC(=O)CC1CCOCC1 240690a_100015525214_100000757261 [0,1,0,1,0,0|2,0,0]=4 5773 B12R1.32 CCNC(=O)CC1CCOCC1 527a_100015525214_100000757261 [0,1,0,1,0,0|2,0,0]=4 5774 B12R1.32 CCNC(=O)CN1CCCOC1 2230a_100000131196_100000183381 [0,1,0,1,0,0|2,0,0]=4 5775 B12R1.32 CCNC(=O)CN1CCCOC1 269982a_100000131196_100000183381 [0,1,0,1,0,0|2,0,0]=4 5776 B12R1.32 CCNC(=O)CN1CCCOC1 34a_100000131196_100000183381 [0,1,0,1,0,0|2,0,0]=4 5777 B12R1.32 CCNC(=O)NC1CCCOC1 2708a_100000719290_100015525214 [0,1,0,1,0,0|2,0,0]=4 5778 B12R1.32 CCNC(=O)NC1CCCOC1 2708a_100015525214_100000719290 [0,1,0,1,0,0|2,0,0]=4 5779 B12R1.32 CCNC(=O)NC1CCCOC1 273464a_100000719290_100015525214 [0,1,0,1,0,0|2,0,0]=4 5780 B12R1.32 CCNC(=O)NC1CCCOC1 273464a_100015525214_100000719290 [0,1,0,1,0,0|2,0,0]=4 5781 B12R1.32 CCNC(=O)NC1CCCOC1 512a_100000719290_100015525214 [0,1,0,1,0,0|2,0,0]=4 5782 B12R1.32 CCNC(=O)NC1CCCOC1 512a_100015525214_100000719290 [0,1,0,1,0,0|2,0,0]=4 5783 B12R1.32 CCOC(=O)CN1CCCOC1 2230a_100000131196_100000188475 [0,1,0,1,0,0|1,0,0]=3 5784 B12R1.32 CCOC(=O)CN1CCCOC1 269982a_100000131196_100000188475 [0,1,0,1,0,0|1,0,0]=3 5785 B12R1.32 CCOC(=O)CN1CCCOC1 34a_100000131196_100000188475 [0,1,0,1,0,0|1,0,0]=3 5786 B12R1.32 CCOC(=O)CN1CCOCC1 2230a_100015191051_100000188475 [0,1,0,1,0,0|2,0,0]=4 5787 B12R1.32 CCOC(=O)CN1CCOCC1 269982a_100015191051_100000188475 [0,1,0,1,0,0|2,0,0]=4 5788 B12R1.32 CCOC(=O)CN1CCOCC1 34a_100015191051_100000188475 [0,1,0,1,0,0|2,0,0]=4 5789 B12R1.32 CCOC(=O)CN1CCSCC1 2230a_100000737611_100000188475 [0,1,0,1,0,0|2,0,0]=4 5790 B12R1.32 CCOC(=O)CN1CCSCC1 269982a_100000737611_100000188475 [0,1,0,1,0,0|2,0,0]=4 5791 B12R1.32 CNNC(=O)CC1CCCCO1 22a_100016993582_100000238585 [0,1,0,1,0,0|2,0,0]=4 5792 B12R1.32 CNNC(=O)CC1CCCOC1 22a_100016993582_100000741523 [0,1,0,1,0,0|2,0,0]=4 5793 B12R1.32 COCC(=O)CC1CCCCO1 1458a_100000210968_100000211543 [0,1,0,1,0,0|2,0,0]=4 5794 B12R1.32 COCC(=O)CC1CCCOC1 1458a_100000210968_100000741521 [0,1,0,1,0,0|2,0,0]=4 5795 B12R1.32 CSCC(=O)CC1CCCCO1 1458a_100000184570_100000211543 [0,1,0,1,0,0|2,0,0]=4 5796 B12R1.32 CSCC(=O)CC1CCCOC1 1458a_100000184570_100000741521 [0,1,0,1,0,0|2,0,0]=4 5797 B12R1.32 O=C(CCF)CC1CCCCO1 1458a_100000238585_100011217306 [0,1,0,1,0,0|2,0,0]=4 5798 B12R1.32 O=C(CCF)CC1CCCOC1 1458a_100000741523_100011217306 [0,1,0,1,0,0|2,0,0]=4 5799 B12R1.32 O=C(CCO)CC1CCCCO1 1458a_100000238585_100000211926 [0,1,0,1,0,0|2,0,0]=4 5800 B12R1.32 O=C(CCO)CC1CCCCO1 1458a_100011216618_100000211543 [0,1,0,1,0,0|2,0,0]=4 5801 B12R1.32 O=C(CCO)CC1CCCOC1 1458a_100000741523_100000211926 [0,1,0,1,0,0|2,0,0]=4 5802 B12R1.32 O=C(CCO)CC1CCCOC1 1458a_100011216618_100000741521 [0,1,0,1,0,0|2,0,0]=4 5803 B12R1.53 C#CCCC(=O)CC1CCCO1 1458a_100000692101_100000203698 [0,1,0,1,0,0|1,0,1]=4 5804 B12R1.53 C=CCCC(=O)CC1CCCO1 1458a_100000749702_100000203698 [0,1,0,1,0,0|1,0,1]=4 5805 B12R1.53 CC=CCC(=O)CC1CCCO1 1458a_100121576822_100000203698 [0,1,0,1,0,0|1,0,1]=4 5806 B12R1.53 CCC#CC(=O)CC1CCCC1 1458a_100011827653_100000740388 [0,1,0,1,0,0|2,0,0]=4 5807 B12R1.53 CCC#CC(=O)CC1CCCO1 1458a_100011827653_100000203698 [0,1,0,1,0,0|1,0,0]=3 5808 B12R1.53 CCC#CC(=O)CC1OCCO1 1458a_100011827653_100000755774 [0,1,0,1,0,0|2,0,0]=4 5809 B12R1.53 CCC=CC(=O)CC1CCCC1 1458a_100000212282_100000740388 [0,1,0,1,0,0|2,0,0]=4 5810 B12R1.53 CCC=CC(=O)CC1CCCO1 1458a_100000212282_100000203698 [0,1,0,1,0,0|1,0,0]=3 5811 B12R1.53 CCC=CC(=O)CC1OCCO1 1458a_100000212282_100000755774 [0,1,0,1,0,0|2,0,0]=4 5812 B12R1.53 CCCCC(=O)CC1CCCC1 1458a_100000210183_100000740388 [0,1,0,1,0,0|2,0,0]=4 5813 B12R1.53 CCCCC(=O)CC1CCCC1 1458a_100000210891_100000210211 [0,1,0,1,0,0|2,0,0]=4 5814 B12R1.53 CCCCC(=O)CC1CCCO1 1458a_100000210183_100000203698 [0,1,0,1,0,0|1,0,0]=3 5815 B12R1.53 CCCCC(=O)CC1OCCO1 1458a_100000210183_100000755774 [0,1,0,1,0,0|2,0,0]=4 5816 B12R1.53 CCCNC(=O)CC1CCCC1 11a_100020643023_100000210891 [0,1,0,1,0,0|2,0,0]=4 5817 B12R1.53 CCCNC(=O)CC1CCCC1 1626a_100020643023_100000210891 [0,1,0,1,0,0|2,0,0]=4 5818 B12R1.53 CCCNC(=O)CC1CCCC1 240690a_100020643023_100000210891 [0,1,0,1,0,0|2,0,0]=4 5819 B12R1.53 CCCNC(=O)CC1CCCC1 527a_100020643023_100000210891 [0,1,0,1,0,0|2,0,0]=4 5820 B12R1.53 CCCOC(=O)CN1CCCC1 2230a_100000188435_200011215008 [0,1,0,1,0,0|2,0,0]=4 5821 B12R1.53 CCCOC(=O)CN1CCCC1 269982a_100000188435_200011215008 [0,1,0,1,0,0|2,0,0]=4 5822 B12R1.53 CCNNC(=O)CC1CCCC1 22a_100000756455_100000210891 [0,1,0,1,0,0|2,0,0]=4 5823 B12R1.53 CCOCC(=O)CC1CCCC1 1458a_100000211967_100000740388 [0,1,0,1,0,0|1,0,0]=3 5824 B12R1.53 CCOCC(=O)CC1CCCO1 1458a_100000211967_100000203698 [0,1,0,1,0,0|0,0,0]=2 5825 B12R1.53 CCOCC(=O)CC1CCOC1 1458a_100000211967_100000702531 [0,1,0,1,0,0|2,0,0]=4 5826 B12R1.53 CCOCC(=O)CC1OCCO1 1458a_100000211967_100000755774 [0,1,0,1,0,0|1,0,0]=3 5827 B12R1.53 CCOCC(=O)NC1CCCC1 11a_100000211070_100000211967 [0,1,0,1,0,0|2,0,0]=4 5828 B12R1.53 CCOCC(=O)NC1CCCC1 1626a_100000211070_100000211967 [0,1,0,1,0,0|2,0,0]=4 5829 B12R1.53 CCOCC(=O)NC1CCCC1 240690a_100000211070_100000211967 [0,1,0,1,0,0|2,0,0]=4 5830 B12R1.53 CCOCC(=O)NC1CCCC1 34a_100121572206_100000183512 [0,1,0,1,0,0|2,0,0]=4 5831 B12R1.53 CCOCC(=O)NC1CCCC1 527a_100000211070_100000211967 [0,1,0,1,0,0|2,0,0]=4 5832 B12R1.53 CCOCN(C)CC1CCCO1 269982a_100102946541_100000739092 [0,1,0,1,0,0|2,0,0]=4 5833 B12R1.53 CCSCC(=O)CC1CCCC1 1458a_100000230394_100000740388 [0,1,0,1,0,0|1,1,0]=4 5834 B12R1.53 CCSCC(=O)CC1CCCO1 1458a_100000230394_100000203698 [0,1,0,1,0,0|0,1,0]=3 5835 B12R1.53 CCSCC(=O)CC1OCCO1 1458a_100000230394_100000755774 [0,1,0,1,0,0|1,1,0]=4 5836 B12R1.53 COC=CC(=O)CC1CCCO1 1458a_100016268678_100000203698 [0,1,0,1,0,0|1,0,1]=4 5837 B12R1.53 COCCC(=O)CC1CCCC1 1458a_100000210891_100000233755 [0,1,0,1,0,0|2,0,0]=4 5838 B12R1.53 COCCC(=O)CC1CCCC1 1458a_100000749529_100000740388 [0,1,0,1,0,0|2,0,0]=4 5839 B12R1.53 COCCC(=O)CC1CCCO1 1458a_100000749529_100000203698 [0,1,0,1,0,0|1,0,0]=3 5840 B12R1.53 COCCC(=O)CC1OCCO1 1458a_100000749529_100000755774 [0,1,0,1,0,0|2,0,0]=4 5841 B12R1.53 CSCCC(=O)CC1CCCC1 1458a_100000174002_100000740388 [0,1,0,1,0,0|2,0,0]=4 5842 B12R1.53 CSCCC(=O)CC1CCCC1 1458a_100000210891_100000751147 [0,1,0,1,0,0|2,0,0]=4 5843 B12R1.53 CSCCC(=O)CC1CCCO1 1458a_100000174002_100000203698 [0,1,0,1,0,0|1,0,0]=3 5844 B12R1.53 CSCCC(=O)CC1OCCO1 1458a_100000174002_100000755774 [0,1,0,1,0,0|2,0,0]=4 5845 B12R1.53 N#CCCC(=O)CC1CCCO1 1458a_100011934036_100000203698 [0,1,0,1,0,0|1,0,1]=4 5846 B12R1.53 O=C(C#CCO)CC1CCCO1 1458a_100000049017_100000203698 [0,1,0,1,0,0|1,0,1]=4 5847 B12R1.53 O=C(CC1CCCC1)NCCF 11a_100000724931_100000210891 [0,1,0,1,0,0|2,0,0]=4 5848 B12R1.53 O=C(CC1CCCC1)NCCF 1626a_100000724931_100000210891 [0,1,0,1,0,0|2,0,0]=4 5849 B12R1.53 O=C(CC1CCCC1)NCCF 240690a_100000724931_100000210891 [0,1,0,1,0,0|2,0,0]=4 5850 B12R1.53 O=C(CC1CCCC1)NCCF 527a_100000724931_100000210891 [0,1,0,1,0,0|2,0,0]=4 5851 B12R1.53 O=C(CC1CCCC1)NCCO 240690a_100000210304_100000210891 [0,1,0,1,0,0|2,0,0]=4 5852 B12R1.53 O=C(CC1CCCC1)NCCO 527a_100000210304_100000210891 [0,1,0,1,0,0|2,0,0]=4 5853 B12R1.53 O=C(CCCF)CC1CCCC1 1458a_100000210891_100011934791 [0,1,0,1,0,0|2,0,0]=4 5854 B12R1.53 O=C(CCCO)CC1CCCC1 1458a_100000210891_100011215043 [0,1,0,1,0,0|2,0,0]=4 5855 B12R1.308 CCCC(=O)C1CCCCC1C 1458a_100011215568_100000210303 [0,1,0,1,0,0|2,0,0]=4 5856 B12R1.308 CCCC(=O)C1CCCCC1O 1458a_100011803323_100000210303 [0,1,0,1,0,0|1,0,0]=3 5857 B12R1.308 CCNC(=O)C1CCCCC1C 11a_100015525214_100011215568 [0,1,0,1,0,0|2,0,0]=4 5858 B12R1.308 CCNC(=O)C1CCCCC1C 240690a_100015525214_100011215568 [0,1,0,1,0,0|2,0,0]=4 5859 B12R1.308 CCNC(=O)C1CCCCC1C 527a_100015525214_100011215568 [0,1,0,1,0,0|2,0,0]=4 5860 B12R1.308 CCOC(=O)C1CCCCN1C 2230a_100016990872_200000210301 [0,1,0,1,0,0|2,0,0]=4 5861 B12R1.308 CCOC(=O)C1CCCCN1C 269982a_100016990872_200000210301 [0,1,0,1,0,0|2,0,0]=4 5862 B12R1.308 CCOC(=O)C1CCCCN1[13CH3] 2230a_100016990872_200025704644 [0,1,0,1,0,0|2,0,0]=4 5863 B12R1.308 CCOC(=O)C1CCCCN1[13CH3] 269982a_100016990872_200025704644 [0,1,0,1,0,0|2,0,0]=4 5864 B12R1.308 CCOC(=O)C1CSCCN1C 2230a_100000735462_200000210301 [0,1,0,1,0,0|2,0,0]=4 5865 B12R1.308 CCOC(=O)C1CSCCN1C 269982a_100000735462_200000210301 [0,1,0,1,0,0|2,0,0]=4 5866 B12R1.308 CCOC(=O)C1CSCCN1[13CH3] 2230a_100000735462_200025704644 [0,1,0,1,0,0|2,0,0]=4 5867 B12R1.308 CCOC(=O)C1CSCCN1[13CH3] 269982a_100000735462_200025704644 [0,1,0,1,0,0|2,0,0]=4 5868 B12R1.308 CCOC(=O)[C@@H]1COCCN1C 2230a_100015229691_200000210301 [0,1,0,1,0,0|2,0,0]=4 5869 B12R1.308 CCOC(=O)[C@@H]1COCCN1C 269982a_100015229691_200000210301 [0,1,0,1,0,0|2,0,0]=4 5870 B12R1.308 CCOC(=O)[C@@H]1COCCN1[13CH3] 2230a_100015229691_200025704644 [0,1,0,1,0,0|2,0,0]=4 5871 B12R1.308 CCOC(=O)[C@@H]1COCCN1[13CH3] 269982a_100015229691_200025704644 [0,1,0,1,0,0|2,0,0]=4 5872 B12R1.308 CNNC(=O)C1CCCCC1O 22a_100016993582_100011803323 [0,1,0,1,0,0|2,0,0]=4 5873 B12R1.308 O=C(CCF)C1CCCCC1O 1458a_100011803323_100011217306 [0,1,0,1,0,0|2,0,0]=4 5874 B12R1.308 O=C(CCO)C1CCCCC1O 1458a_100011803323_100000211926 [0,1,0,1,0,0|2,0,0]=4 5875 B12R1.321 CCOCN1CCCCC(C1)O 269982a_100025706797_100000739092 [0,1,0,1,0,0|2,0,0]=4 5876 B12R1.380 CCCNC1CC(=O)N(C1)CC 2230a_100015184948_100000210303 [0,1,0,1,0,0|2,0,0]=4 5877 B12R1.380 CCCNC1CC(=O)N(C1)CC 34a_100015184948_100000210303 [0,1,0,1,0,0|2,0,0]=4 5878 B12R1.380 CCNCC1CC(=O)N(C1)CC 2230a_100011935115_100000210202 [0,1,0,1,0,0|2,0,0]=4 5879 B12R1.380 CCNCC1CC(=O)N(C1)CC 34a_100011935115_100000210202 [0,1,0,1,0,0|2,0,0]=4 5880 B12R1.380 CCOCC1CC(=O)N(C1)CC 34a_100000758270_100000210202 [0,1,0,1,0,0|2,0,0]=4 5881 B12R1.380 CCOCC1CC(=O)N(C1)CC 7a_100000758270_100000210202 [0,1,0,1,0,0|2,0,0]=4 5882 B12R1.460 CC1CCCC1C(=O)CCCF 1458a_100000690547_100011934791 [0,1,0,1,0,0|2,0,0]=4 5883 B12R1.460 CC1CCCC1C(=O)CCCO 1458a_100000690547_100011215043 [0,1,0,1,0,0|2,0,0]=4 5884 B12R1.460 CC1CCCC1C(=O)NCCF 11a_100000724931_100000690547 [0,1,0,1,0,0|2,0,0]=4 5885 B12R1.460 CC1CCCC1C(=O)NCCF 1626a_100000724931_100000690547 [0,1,0,1,0,0|2,0,0]=4 5886 B12R1.460 CC1CCCC1C(=O)NCCF 240690a_100000724931_100000690547 [0,1,0,1,0,0|2,0,0]=4 5887 B12R1.460 CC1CCCC1C(=O)NCCF 527a_100000724931_100000690547 [0,1,0,1,0,0|2,0,0]=4 5888 B12R1.460 CC1CCCC1C(=O)NCCO 240690a_100000210304_100000690547 [0,1,0,1,0,0|2,0,0]=4 5889 B12R1.460 CC1CCCC1C(=O)NCCO 527a_100000210304_100000690547 [0,1,0,1,0,0|2,0,0]=4 5890 B12R1.460 CCCCC(=O)C1CCCC1C 1458a_100000690547_100000210211 [0,1,0,1,0,0|2,0,0]=4 5891 B12R1.460 CCCCC(=O)C1CCOC1=O 1458a_100000210183_100000211211 [0,1,0,1,0,0|0,0,2]=4 5892 B12R1.460 CCCCN(C)C1CCOC1=O 2230a_100000207549_100000211211 [0,1,0,1,0,0|2,0,0]=4 5893 B12R1.460 CCCCN(C)C1CCOC1=O 269982a_100000207549_100000211211 [0,1,0,1,0,0|2,0,0]=4 5894 B12R1.460 CCCNC(=O)C1CCCC1C 11a_100020643023_100000690547 [0,1,0,1,0,0|2,0,0]=4 5895 B12R1.460 CCCNC(=O)C1CCCC1C 1626a_100020643023_100000690547 [0,1,0,1,0,0|2,0,0]=4 5896 B12R1.460 CCCNC(=O)C1CCCC1C 240690a_100020643023_100000690547 [0,1,0,1,0,0|2,0,0]=4 5897 B12R1.460 CCCNC(=O)C1CCCC1C 527a_100020643023_100000690547 [0,1,0,1,0,0|2,0,0]=4 5898 B12R1.460 CCNNC(=O)C1CCCC1C 22a_100000756455_100000690547 [0,1,0,1,0,0|2,0,0]=4 5899 B12R1.460 CCOCC(=O)C1CCCC1=O 1458a_100000211967_100000211823 [0,1,0,1,0,0|0,0,2]=4 5900 B12R1.460 CCOCC(=O)C1CCOC1=O 1458a_100000211967_100000211211 [0,1,0,1,0,0|0,0,2]=4 5901 B12R1.460 CCOCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000211967 [0,1,0,1,0,0|2,0,0]=4 5902 B12R1.460 CCOCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000211967 [0,1,0,1,0,0|2,0,0]=4 5903 B12R1.460 CCOCC(=O)N1CCC[C@H]1C 11a_100015189458_100000211967 [0,1,0,1,0,0|2,0,0]=4 5904 B12R1.460 CCOCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000211967 [0,1,0,1,0,0|2,0,0]=4 5905 B12R1.460 CCOCC(=O)N1CCC[C@H]1C 527a_100015189458_100000211967 [0,1,0,1,0,0|2,0,0]=4 5906 B12R1.460 CCSCC(=O)C1CCOC1=O 1458a_100000230394_100000211211 [0,1,0,1,0,0|0,0,2]=4 5907 B12R1.460 CN(CCCO)C1CCOC1=O 2230a_100000213112_100000211211 [0,1,0,1,0,0|2,0,0]=4 5908 B12R1.460 CN(CCCO)C1CCOC1=O 269982a_100000213112_100000211211 [0,1,0,1,0,0|2,0,0]=4 5909 B12R1.460 COCCC(=O)C1CCCC1C 1458a_100000690547_100000233755 [0,1,0,1,0,0|2,0,0]=4 5910 B12R1.460 COCCC(=O)C1CCOC1=O 1458a_100000749529_100000211211 [0,1,0,1,0,0|0,0,2]=4 5911 B12R1.460 COCCN(C)C1CCOC1=O 2230a_100000743101_100000211211 [0,1,0,1,0,0|2,0,0]=4 5912 B12R1.460 COCCN(C)C1CCOC1=O 269982a_100000743101_100000211211 [0,1,0,1,0,0|2,0,0]=4 5913 B12R1.460 CSCCC(=O)C1CCCC1C 1458a_100000690547_100000751147 [0,1,0,1,0,0|2,0,0]=4 5914 B12R1.460 CSCCC(=O)C1CCOC1=O 1458a_100000174002_100000211211 [0,1,0,1,0,0|0,0,2]=4 5915 B12R1.460 CSCCN(C)C1CCOC1=O 2230a_100000686725_100000211211 [0,1,0,1,0,0|2,0,0]=4 5916 B12R1.460 CSCCN(C)C1CCOC1=O 269982a_100000686725_100000211211 [0,1,0,1,0,0|2,0,0]=4 5917 B12R1.462 CCCOC(=O)CN1CC(C1)C 2230a_100000702820_200011215008 [0,1,0,1,0,0|2,0,0]=4 5918 B12R1.462 CCCOC(=O)CN1CC(C1)C 269982a_100000702820_200011215008 [0,1,0,1,0,0|2,0,0]=4 5919 B12R1.462 CCCOC(=O)CN1CC(C1)C 34a_100000702820_200011215008 [0,1,0,1,0,0|2,0,0]=4 5920 B12R1.519 CCCC(=O)CC(=O)C1CCO1 1458a_100000089072_100000747444 [0,1,0,1,0,0|0,0,2]=4 5921 B12R1.519 CCCC(C)CC(=O)C1CCC1 1458a_100000209988_100011216630 [0,1,0,1,0,0|2,0,0]=4 5922 B12R1.519 CCCC(C)CC(=O)C1CCC1 1458a_100000748435_100000749161 [0,1,0,1,0,0|2,0,0]=4 5923 B12R1.519 CCCC(C)CC(=O)C1CCO1 1458a_100000089072_100011216630 [0,1,0,1,0,0|1,0,0]=3 5924 B12R1.519 CCCC(C)CC(=O)C1COC1 1458a_100000748435_100000687716 [0,1,0,1,0,0|2,0,0]=4 5925 B12R1.519 CCCC(C)CC(=O)C1COC1 1458a_100000758290_100011216630 [0,1,0,1,0,0|2,0,0]=4 5926 B12R1.519 CCCC(C)CC(=O)N1CCC1 11a_100000754969_100000748435 [0,1,0,1,0,0|2,0,0]=4 5927 B12R1.519 CCCC(C)CC(=O)N1CCC1 240690a_100000754969_100000748435 [0,1,0,1,0,0|2,0,0]=4 5928 B12R1.519 CCCC(C)CC(=O)N1CCC1 527a_100000754969_100000748435 [0,1,0,1,0,0|2,0,0]=4 5929 B12R1.519 CCCC(C)NC(=O)C1CCO1 11a_100000741246_100000089072 [0,1,0,1,0,0|2,0,0]=4 5930 B12R1.519 CCCC(C)NC(=O)C1CCO1 1626a_100000741246_100000089072 [0,1,0,1,0,0|2,0,0]=4 5931 B12R1.519 CCCC(C)NC(=O)C1CCO1 240690a_100000741246_100000089072 [0,1,0,1,0,0|2,0,0]=4 5932 B12R1.519 CCCC(C)NC(=O)C1CCO1 527a_100000741246_100000089072 [0,1,0,1,0,0|2,0,0]=4 5933 B12R1.519 CCOC(=O)CC(=O)C1CCC1 1458a_100000209988_100000188475 [0,1,0,1,0,0|0,0,2]=4 5934 B12R1.519 CCOC(=O)CC(=O)C1CCC1 1458a_100000243816_100000749161 [0,1,0,1,0,0|0,0,2]=4 5935 B12R1.519 CCOC(=O)CC(=O)C1CCO1 1458a_100000089072_100000188475 [0,1,0,1,0,0|0,0,2]=4 5936 B12R1.519 CCOC(=O)CC(=O)C1COC1 1458a_100000243816_100000687716 [0,1,0,1,0,0|0,0,2]=4 5937 B12R1.519 CCOC(=O)CC(=O)C1COC1 1458a_100000758290_100000188475 [0,1,0,1,0,0|0,0,2]=4 5938 B12R1.519 CCOC(=O)CC(=O)N1CCC1 240690a_100000754969_100000243816 [0,1,0,1,0,0|0,0,2]=4 5939 B12R1.519 CCOC(=O)CC(C)N1CCC1 269982a_100000754969_100009817359 [0,1,0,1,0,0|1,0,0]=3 5940 B12R1.519 CCOC(=O)CN(C)C1CCC1 2230a_100000758072_100000188475 [0,1,0,1,0,0|2,0,0]=4 5941 B12R1.519 CCOC(=O)CN(C)C1CCC1 269982a_100000758072_100000188475 [0,1,0,1,0,0|2,0,0]=4 5942 B12R1.519 CCOC(=O)CN(C)C1CCC1 270004a_100000220588_100000241760 [0,1,0,1,0,0|2,0,0]=4 5943 B12R1.519 CCOC(=O)CN(C)C1CCC1 34a_100000758072_100000188475 [0,1,0,1,0,0|2,0,0]=4 5944 B12R1.519 CCOC(=O)CN(C)C1COC1 2230a_100102693430_100000188475 [0,1,0,1,0,0|2,0,0]=4 5945 B12R1.519 CCOC(=O)CN(C)C1COC1 269982a_100102693430_100000188475 [0,1,0,1,0,0|2,0,0]=4 5946 B12R1.519 CCOC(=O)OC(C)N1CCC1 269982a_100000754969_100000036008 [0,1,0,1,0,0|2,0,0]=4 5947 B12R1.841 CCCOC(=O)CC(=O)C1CC1 1458a_100000210395_200011215008 [0,1,0,1,0,0|0,0,2]=4 5948 B12R1.841 CCCOC(=O)CN(C)C1CC1 2230a_100000226674_200011215008 [0,1,0,1,0,0|2,0,0]=4 5949 B12R1.841 CCCOC(=O)CN(C)C1CC1 269982a_100000226674_200011215008 [0,1,0,1,0,0|2,0,0]=4 5950 B12R1.841 CCOCC(=O)CC(=O)C1CC1 1458a_100000211967_100000746382 [0,1,0,1,0,0|0,0,2]=4 5951 B12R1.841 CCOCC(=O)NC(C)C1CC1 11a_100000700016_100000211967 [0,1,0,1,0,0|2,0,0]=4 5952 B12R1.841 CCOCC(=O)NC(C)C1CC1 1626a_100000700016_100000211967 [0,1,0,1,0,0|2,0,0]=4 5953 B12R1.841 CCOCC(=O)NC(C)C1CC1 240690a_100000700016_100000211967 [0,1,0,1,0,0|2,0,0]=4 5954 B12R1.841 CCOCC(=O)NC(C)C1CC1 527a_100000700016_100000211967 [0,1,0,1,0,0|2,0,0]=4 5955 B12R1.1618 CCCC(=O)CC1(OCCO1)C 1458a_100000137474_100000210303 [0,1,0,1,0,0|2,0,0]=4 5956 B12R1.1618 CCNC(=O)CC1(OCCO1)C 11a_100015525214_100000137474 [0,1,0,1,0,0|2,0,0]=4 5957 B12R1.1618 CCNC(=O)CC1(OCCO1)C 527a_100015525214_100000137474 [0,1,0,1,0,0|2,0,0]=4 5958 B12R1.1621 CCOC(=O)CC1CC(C1)OC 7a_100010742785_200000210301 [0,1,0,1,0,0|1,0,0]=3 5959 B12R1.1621 CCOC(=O)CC1CC(C1)O[13CH3] 7a_100010742785_200025704644 [0,1,0,1,0,0|1,0,0]=3 5960 B12R1.1621 CCOC(=O)CN1CC(C1)CC 2230a_100015205115_100000188475 [0,1,0,1,0,0|2,0,0]=4 5961 B12R1.1621 CCOC(=O)CN1CC(C1)CC 269982a_100015205115_100000188475 [0,1,0,1,0,0|2,0,0]=4 5962 B12R1.1621 CCOC(=O)CN1CC(C1)CF 269982a_100010363649_100000188475 [0,1,0,1,0,0|2,0,0]=4 5963 B12R1.1621 CCOC(=O)CN1CC(C1)CF 34a_100010363649_100000188475 [0,1,0,1,0,0|2,0,0]=4 5964 B12R1.1621 CCOC(=O)CN1CC(C1)CO 269982a_100016987283_100000188475 [0,1,0,1,0,0|2,0,0]=4 5965 B12R1.1621 CCOC(=O)CN1CC(C1)CO 34a_100016987283_100000188475 [0,1,0,1,0,0|2,0,0]=4 5966 B12R1.1621 CCOC(=O)CN1CC(C1)OC 269982a_100000755009_100000188475 [0,1,0,1,0,0|2,0,0]=4 5967 B12R1.1621 CCOC(=O)CN1CC(C1)SC 269982a_100016990038_100000188475 [0,1,0,1,0,0|2,0,0]=4 5968 B12R1.2044 CCC#CC(=O)CC1(CCC1)C 1458a_100011827653_100000726658 [0,1,0,1,0,0|2,0,0]=4 5969 B12R1.2044 CCC=CC(=O)CC1(CCC1)C 1458a_100000212282_100000726658 [0,1,0,1,0,0|2,0,0]=4 5970 B12R1.2044 CCCCC(=O)CC1(CCC1)C 1458a_100000210183_100000726658 [0,1,0,1,0,0|2,0,0]=4 5971 B12R1.2044 CCOCC(=O)CC1(CCC1)C 1458a_100000211967_100000726658 [0,1,0,1,0,0|1,0,0]=3 5972 B12R1.2044 CCOCC(=O)CC1(COC1)C 1458a_100000211967_100000066812 [0,1,0,1,0,0|2,0,0]=4 5973 B12R1.2044 CCOCC(=O)NC1(CCC1)C 11a_100000692455_100000211967 [0,1,0,1,0,0|2,0,0]=4 5974 B12R1.2044 CCOCC(=O)NC1(CCC1)C 1626a_100000692455_100000211967 [0,1,0,1,0,0|2,0,0]=4 5975 B12R1.2044 CCOCC(=O)NC1(CCC1)C 240690a_100000692455_100000211967 [0,1,0,1,0,0|2,0,0]=4 5976 B12R1.2044 CCOCC(=O)NC1(CCC1)C 527a_100000692455_100000211967 [0,1,0,1,0,0|2,0,0]=4 5977 B12R1.2044 CCSCC(=O)CC1(CCC1)C 1458a_100000230394_100000726658 [0,1,0,1,0,0|1,1,0]=4 5978 B12R1.2044 COCCC(=O)CC1(CCC1)C 1458a_100000749529_100000726658 [0,1,0,1,0,0|2,0,0]=4 5979 B12R1.2044 CSCCC(=O)CC1(CCC1)C 1458a_100000174002_100000726658 [0,1,0,1,0,0|2,0,0]=4 5980 B12R1.55 CCOC(=O)C(C)N1CCCC1 2230a_100000188435_100011215307 [0,1,0,1,0,0|2,0,0]=4 5981 B12R1.55 CCOC(=O)C(C)N1CCCC1 269982a_100000188435_100011216346 [0,1,0,1,0,0|2,0,0]=4 5982 B12R1.55 CCOC(=O)C(F)N1CCCC1 2230a_100000188435_100000760018 [0,1,0,1,0,0|2,0,0]=4 5983 B12R1.55 CCOC(=O)C(F)N1CCCC1 269982a_100000188435_100000760018 [0,1,0,1,0,0|2,0,0]=4 5984 B12R1.558 CCOC(=O)C(C)N1CC(C1)C 2230a_100000702820_100011215307 [0,1,0,1,0,0|2,0,0]=4 5985 B12R1.558 CCOC(=O)C(C)N1CC(C1)C 269982a_100000702820_100011216346 [0,1,0,1,0,0|2,0,0]=4 5986 B12R1.558 CCOC(=O)C(C)N1CC(C1)C 34a_100000702820_100011216346 [0,1,0,1,0,0|2,0,0]=4 5987 B12R1.558 CCOC(=O)C(F)N1CC(C1)C 2230a_100000702820_100000760018 [0,1,0,1,0,0|2,0,0]=4 5988 B12R1.558 CCOC(=O)C(F)N1CC(C1)C 269982a_100000702820_100000760018 [0,1,0,1,0,0|2,0,0]=4 5989 B12R1.558 CCOC(=O)C(F)N1CC(C1)C 34a_100000702820_100000760018 [0,1,0,1,0,0|2,0,0]=4 5990 B12R1.1446 CCOC(=O)C(C)C(=O)C1CC1 1458a_100000210395_100011216346 [0,1,0,1,0,0|0,0,2]=4 5991 B12R1.1446 CCOC(=O)C(C)N(C)C1CC1 2230a_100000226674_100011215307 [0,1,0,1,0,0|2,0,0]=4 5992 B12R1.1446 CCOC(=O)C(C)N(C)C1CC1 269982a_100000226674_100011216346 [0,1,0,1,0,0|2,0,0]=4 5993 B12R1.1446 CCOC(=O)C(F)C(=O)C1CC1 1458a_100000210395_100000760018 [0,1,0,1,0,0|0,0,2]=4 5994 B12R1.1446 CCOC(=O)C(F)N(C)C1CC1 2230a_100000226674_100000760018 [0,1,0,1,0,0|2,0,0]=4 5995 B12R1.1446 CCOC(=O)C(F)N(C)C1CC1 269982a_100000226674_100000760018 [0,1,0,1,0,0|2,0,0]=4 5996 B12R1.134 CCCN(CC)C1CCOC1=O 2230a_100000226822_100000211211 [0,1,0,1,0,0|2,0,0]=4 5997 B12R1.134 CCCN(CC)C1CCOC1=O 269982a_100000226822_100000211211 [0,1,0,1,0,0|2,0,0]=4 5998 B12R1.316 CCCC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100000211992 [0,1,0,1,0,0|2,0,0]=4 5999 B12R1.316 CCCC(=O)N1CCC[C@@H]1CO 527a_100000745186_100000211992 [0,1,0,1,0,0|2,0,0]=4 6000 B12R1.316 CCNC(=O)N1CCC[C@@H]1CO 2708a_100015525214_100000745186 [0,1,0,1,0,0|2,0,0]=4 6001 B12R1.316 CCNC(=O)N1CCC[C@@H]1CO 273464a_100015525214_100000745186 [0,1,0,1,0,0|2,0,0]=4 6002 B12R1.316 CCOC(=O)[C@@H]1CCCN1CC 2230a_100000703725_100000210202 [0,1,0,1,0,0|2,0,0]=4 6003 B12R1.316 CCOC(=O)[C@@H]1CCCN1CC 269982a_100000703725_100000204670 [0,1,0,1,0,0|2,0,0]=4 6004 B12R1.316 CCOC(=O)[C@@H]1CCCN1CF 269982a_100000703725_100015361967 [0,1,0,1,0,0|2,0,0]=4 6005 B12R1.316 CCOC(=O)[C@@H]1CCC[C@@H]1OC 7a_200015395474_200000210301 [0,1,0,1,0,0|0,0,0]=2 6006 B12R1.316 CCOC(=O)[C@@H]1CCC[C@@H]1O[13CH3] 7a_200015395474_200025704644 [0,1,0,1,0,0|0,0,0]=2 6007 B12R1.1423 CCC[C@@H](CO)NC(=O)C1CC1 240690a_100000732646_100000210395 [0,1,0,1,0,0|2,0,0]=4 6008 B12R1.1423 CCC[C@@H](CO)NC(=O)C1CC1 527a_100000732646_100000210395 [0,1,0,1,0,0|2,0,0]=4 6009 B12R1.2046 CCCC(=O)N[C@@H](CO)C1CC1 240690a_100020623730_100000211992 [0,1,0,1,0,0|2,0,0]=4 6010 B12R1.2046 CCCC(=O)N[C@@H](CO)C1CC1 527a_100020623730_100000211992 [0,1,0,1,0,0|2,0,0]=4 6011 B12R1.2046 CCNC(=O)N[C@@H](CO)C1CC1 2708a_100015525214_100020623730 [0,1,0,1,0,0|2,0,0]=4 6012 B12R1.2046 CCNC(=O)N[C@@H](CO)C1CC1 273464a_100015525214_100020623730 [0,1,0,1,0,0|2,0,0]=4 6013 B12R1.2046 CCNC(=O)N[C@@H](CO)C1CC1 273464a_100020623730_100015525214 [0,1,0,1,0,0|2,0,0]=4 6014 B12R1.2046 CCNC(=O)N[C@@H](CO)C1CC1 512a_100015525214_100020623730 [0,1,0,1,0,0|2,0,0]=4 6015 B12R1.2046 CCOC(=O)CC(OC)C1CC1 7a_100000695011_200000210301 [0,1,0,1,0,0|0,0,0]=2 6016 B12R1.2046 CCOC(=O)CC(O[13CH3])C1CC1 7a_100000695011_200025704644 [0,1,0,1,0,0|0,0,0]=2 6017 B12R1.2046 CCOC(=O)CN(CC)C1CC1 2230a_100000220965_100000210202 [0,1,0,1,0,0|2,0,0]=4 6018 B12R1.2046 CCOC(=O)CN(CC)C1CC1 2230a_100000738653_100000188475 [0,1,0,1,0,0|2,0,0]=4 6019 B12R1.2046 CCOC(=O)CN(CC)C1CC1 269982a_100000220607_100000211595 [0,1,0,1,0,0|2,0,0]=4 6020 B12R1.2046 CCOC(=O)CN(CC)C1CC1 269982a_100000738653_100000188475 [0,1,0,1,0,0|2,0,0]=4 6021 B12R1.2053 CCCC(=O)CC1(COC1)CO 1458a_100000211992_100000685550 [0,1,0,1,0,0|2,0,0]=4 6022 B12R1.2053 CCCC(=O)NC1(CCC1)CO 240690a_100016993734_100000211992 [0,1,0,1,0,0|2,0,0]=4 6023 B12R1.2053 CCCC(=O)NC1(CCC1)CO 527a_100016993734_100000211992 [0,1,0,1,0,0|2,0,0]=4 6024 B12R1.2053 CCNC(=O)NC1(CCC1)CO 2708a_100015525214_100016993734 [0,1,0,1,0,0|2,0,0]=4 6025 B12R1.2053 CCNC(=O)NC1(CCC1)CO 273464a_100015525214_100016993734 [0,1,0,1,0,0|2,0,0]=4 6026 B12R1.2053 CCNC(=O)NC1(CCC1)CO 273464a_100016993734_100015525214 [0,1,0,1,0,0|2,0,0]=4 6027 B12R1.108 C/C=C(\C)/C(=O)CC1CCCO1 1458a_100020587367_100000203698 [0,1,0,1,0,0|1,0,1]=4 6028 B12R1.108 CCC(C)C(=O)CC1CCCC1 1458a_100000210891_100000758301 [0,1,0,1,0,0|2,0,0]=4 6029 B12R1.108 CCC(C)C(=O)CC1CCCC1 1458a_100011192722_100000740388 [0,1,0,1,0,0|2,0,0]=4 6030 B12R1.108 CCC(C)C(=O)CC1CCCO1 1458a_100011192722_100000203698 [0,1,0,1,0,0|1,0,0]=3 6031 B12R1.108 CCC(C)C(=O)CC1OCCO1 1458a_100011192722_100000755774 [0,1,0,1,0,0|2,0,0]=4 6032 B12R1.108 CCC(O)C(=O)CC1CCCC1 1458a_100011196387_100000740388 [0,1,0,1,0,0|2,0,0]=4 6033 B12R1.108 CCC(O)C(=O)CC1CCCO1 1458a_100011196387_100000203698 [0,1,0,1,0,0|1,0,0]=3 6034 B12R1.108 CCC(O)C(=O)CC1OCCO1 1458a_100011196387_100000755774 [0,1,0,1,0,0|2,0,0]=4 6035 B12R1.108 CCN(C)C(=O)CC1CCCC1 11a_100000225621_100000210891 [0,1,0,1,0,0|2,0,0]=4 6036 B12R1.108 CCN(C)C(=O)CC1CCCC1 1626a_100000225621_100000210891 [0,1,0,1,0,0|2,0,0]=4 6037 B12R1.108 CCN(C)C(=O)CC1CCCC1 240690a_100000225621_100000210891 [0,1,0,1,0,0|2,0,0]=4 6038 B12R1.108 CCN(C)C(=O)CC1CCCC1 527a_100000225621_100000210891 [0,1,0,1,0,0|2,0,0]=4 6039 B12R1.108 CNC(=O)C(=O)CC1CCCO1 1458a_100011218921_100000203698 [0,1,0,1,0,0|2,0,0]=4 6040 B12R1.108 COC(C)C(=O)CC1CCCO1 1458a_100000743197_100000203698 [0,1,0,1,0,0|2,0,0]=4 6041 B12R1.108 CSC(C)C(=O)CC1CCCO1 1458a_100000149566_100000203698 [0,1,0,1,0,0|2,0,0]=4 6042 B12R1.108 O=C(CC1CCCO1)C(O)CO 1458a_100011215603_100000203698 [0,1,0,1,0,0|2,0,0]=4 6043 B12R1.468 CCC(C)C(=O)C1CCCC1C 1458a_100000690547_100000758301 [0,1,0,1,0,0|2,0,0]=4 6044 B12R1.468 CCC(C)C(=O)C1CCOC1=O 1458a_100011192722_100000211211 [0,1,0,1,0,0|0,0,2]=4 6045 B12R1.468 CCC(C)N(C)C1CCOC1=O 2230a_100000741768_100000211211 [0,1,0,1,0,0|2,0,0]=4 6046 B12R1.468 CCC(C)N(C)C1CCOC1=O 269982a_100000741768_100000211211 [0,1,0,1,0,0|2,0,0]=4 6047 B12R1.468 CCC(O)C(=O)C1CCOC1=O 1458a_100011196387_100000211211 [0,1,0,1,0,0|0,0,2]=4 6048 B12R1.468 CCN(C)C(=O)C1CCCC1C 11a_100000225621_100000690547 [0,1,0,1,0,0|2,0,0]=4 6049 B12R1.468 CCN(C)C(=O)C1CCCC1C 1626a_100000225621_100000690547 [0,1,0,1,0,0|2,0,0]=4 6050 B12R1.468 CCN(C)C(=O)C1CCCC1C 240690a_100000225621_100000690547 [0,1,0,1,0,0|2,0,0]=4 6051 B12R1.468 CCN(C)C(=O)C1CCCC1C 527a_100000225621_100000690547 [0,1,0,1,0,0|2,0,0]=4 6052 B12R1.520 CCCC(C)CC(=O)C1(CC1)C 1458a_100000756474_100011216630 [0,1,0,1,0,0|2,0,0]=4 6053 B12R1.520 CCCC(C)CC(=O)C1(CC1)F 1458a_100000055089_100011216630 [0,1,0,1,0,0|2,0,0]=4 6054 B12R1.520 CCCC(C)CC(=O)C1(CC1)O 1458a_100000241761_100011216630 [0,1,0,1,0,0|2,0,0]=4 6055 B12R1.520 CCOC(=O)CC(=O)C1(CC1)C 1458a_100000756474_100000188475 [0,1,0,1,0,0|0,0,2]=4 6056 B12R1.520 CCOC(=O)CC(=O)C1(CC1)F 1458a_100000055089_100000188475 [0,1,0,1,0,0|0,0,2]=4 6057 B12R1.520 CCOC(=O)CC(=O)C1(CC1)O 1458a_100000241761_100000188475 [0,1,0,1,0,0|0,0,2]=4 6058 B12R1.1562 CCOC(=O)[C@@H]1C[C@H]1C(=O)CC 1458a_100009818562_100000210202 [0,1,0,1,0,0|1,0,1]=4 6059 B12R1.2092 CCC(C)C(=O)CC1(CCC1)C 1458a_100011192722_100000726658 [0,1,0,1,0,0|2,0,0]=4 6060 B12R1.2092 CCC(O)C(=O)CC1(CCC1)C 1458a_100011196387_100000726658 [0,1,0,1,0,0|2,0,0]=4 6061 B12R2.10 O=C1OCCC1N2CCCC2 2230a_100000188435_100000211211 [0,0,0,2,0,0|2,0,0]=4 6062 B12R2.10 O=C1OCCC1N2CCCC2 269982a_100000188435_100000211211 [0,0,0,2,0,0|2,0,0]=4 6063 B12R2.1423 O=C(CC1CCCC1)C2CC2 1458a_100000210395_100000740388 [0,0,0,2,0,0|2,0,0]=4 6064 B12R2.1423 O=C(CC1CCCO1)C2CC2 1458a_100000210395_100000203698 [0,0,0,2,0,0|1,0,0]=3 6065 B12R2.1423 O=C(CC1CCCO1)C2CO2 1458a_100000701028_100000203698 [0,0,0,2,0,0|2,0,0]=4 6066 B12R2.1423 O=C(CC1OCCO1)C2CC2 1458a_100000210395_100000755774 [0,0,0,2,0,0|2,0,0]=4 6067 B12R2.3429 CCCC(=O)C1CC12CCC2 1458a_100000687150_100000210303 [0,0,0,2,0,0|2,0,0]=4 6068 B12R2.3429 CCNC(=O)C1CC12CCC2 11a_100015525214_100000687150 [0,0,0,2,0,0|2,0,0]=4 6069 B12R2.3429 CCNC(=O)C1CC12CCC2 240690a_100015525214_100000687150 [0,0,0,2,0,0|2,0,0]=4 6070 B12R2.3429 CCNC(=O)C1CC12CCC2 527a_100015525214_100000687150 [0,0,0,2,0,0|2,0,0]=4 6071 B12R2.111 CC1CN(C1)C2CCOC2=O 2230a_100000702820_100000211211 [0,0,0,2,0,0|2,0,0]=4 6072 B12R2.111 CC1CN(C1)C2CCOC2=O 269982a_100000702820_100000211211 [0,0,0,2,0,0|2,0,0]=4 6073 B12R2.111 CC1CN(C1)C2CCOC2=O 34a_100000702820_100000211211 [0,0,0,2,0,0|2,0,0]=4 6074 B12R2.2372 CN(C1CC1)C2CCOC2=O 2230a_100000226674_100000211211 [0,0,0,2,0,0|2,0,0]=4 6075 B12R2.2372 CN(C1CC1)C2CCOC2=O 269982a_100000226674_100000211211 [0,0,0,2,0,0|2,0,0]=4 6076 B12R2.2372 O=C1OCCC1C(=O)C2CC2 1458a_100000210395_100000211211 [0,0,0,2,0,0|0,0,2]=4 6077 B12R2.3284 CC1(CCC1)CC(=O)C2CC2 1458a_100000210395_100000726658 [0,0,0,2,0,0|2,0,0]=4 6078 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [1,0,0,0,1,0|2,0,0]=4 6079 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [1,0,0,0,1,0|2,0,0]=4 6080 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [1,0,0,0,1,0|2,0,0]=4 6081 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [1,0,0,0,1,0|2,0,0]=4 6082 B8R0.3 CCC(O)C(=O)CCF 1458a_100011196387_100011217306 [1,0,0,0,1,0|2,0,0]=4 6083 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [1,0,0,0,1,0|2,0,0]=4 6084 B8R0.3 CCC(O)C(=O)NNC 22a_100016993582_100011196387 [1,0,0,0,1,0|2,0,0]=4 6085 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [1,0,0,0,1,0|2,0,0]=4 6086 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [1,0,0,0,1,0|2,0,0]=4 6087 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [1,0,0,0,1,0|1,0,0]=3 6088 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [1,0,0,0,1,0|2,0,0]=4 6089 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [1,0,0,0,1,0|1,0,0]=3 6090 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [1,0,0,0,1,0|1,0,0]=3 6091 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [1,0,0,0,1,0|2,0,0]=4 6092 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [1,0,0,0,1,0|2,0,0]=4 6093 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [1,0,0,0,1,0|2,0,0]=4 6094 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [1,0,0,0,1,0|2,0,0]=4 6095 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [1,0,0,0,1,0|2,0,0]=4 6096 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [1,0,0,0,1,0|2,0,0]=4 6097 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [1,0,0,0,1,0|2,0,0]=4 6098 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [1,0,0,0,1,0|2,0,0]=4 6099 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [1,0,0,0,1,0|2,0,0]=4 6100 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [1,0,0,0,1,0|2,0,0]=4 6101 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [1,0,0,0,1,0|0,0,0]=2 6102 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [1,0,0,0,1,0|1,0,0]=3 6103 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [1,0,0,0,1,0|1,0,0]=3 6104 B8R0.3 CCNC(=O)C(C)CC 11a_100015525214_100011192722 [1,0,0,0,1,0|2,0,0]=4 6105 B8R0.3 CCNC(=O)C(C)CC 240690a_100015525214_100011192722 [1,0,0,0,1,0|2,0,0]=4 6106 B8R0.3 CCNC(=O)C(C)CC 527a_100015525214_100011192722 [1,0,0,0,1,0|2,0,0]=4 6107 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [1,0,0,0,1,0|1,0,0]=3 6108 B8R0.3 CCNC(=O)C(O)CO 240690a_100015525214_100011215603 [1,0,0,0,1,0|2,0,0]=4 6109 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [1,0,0,0,1,0|2,0,0]=4 6110 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [1,0,0,0,1,0|2,0,0]=4 6111 B8R0.3 CCOC(=O)C(C)NC 2230a_106832991635_100011215307 [1,0,0,0,1,0|2,0,0]=4 6112 B8R0.3 CCOC(=O)C(C)NC 34a_100102657272_100011216346 [1,0,0,0,1,0|2,0,0]=4 6113 B8R0.3 CCOC(=O)C(C)NC 7a_106832991635_100011216346 [1,0,0,0,1,0|2,0,0]=4 6114 B8R0.3 CCOC(=O)C(C)OC 34a_100138415774_100011216346 [1,0,0,0,1,0|2,0,0]=4 6115 B8R0.3 CCOC(=O)C(C)SC 62a_100011216346_200000210301 [1,0,0,0,1,0|2,0,0]=4 6116 B8R0.3 CCOC(=O)C(C)SC 62a_200000210301_100011216346 [1,0,0,0,1,0|2,0,0]=4 6117 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_100011216346_200025704644 [1,0,0,0,1,0|2,0,0]=4 6118 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_200025704644_100011216346 [1,0,0,0,1,0|2,0,0]=4 6119 B8R0.3 CCOC(=O)C(F)NC 2230a_106832991635_100000760018 [1,0,0,0,1,0|2,0,0]=4 6120 B8R0.3 CCOC(=O)C(F)NC 34a_100102657272_100000760018 [1,0,0,0,1,0|2,0,0]=4 6121 B8R0.3 CCOC(=O)C(F)NC 7a_106832991635_100000040065 [1,0,0,0,1,0|2,0,0]=4 6122 B8R0.3 CCOC(=O)C(F)OC 34a_100138415774_100000760018 [1,0,0,0,1,0|2,0,0]=4 6123 B8R0.3 CCOC(=O)C(F)SC 62a_100000760018_200000210301 [1,0,0,0,1,0|2,0,0]=4 6124 B8R0.3 CCOC(=O)C(F)SC 62a_200000210301_100000760018 [1,0,0,0,1,0|2,0,0]=4 6125 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_100000760018_200025704644 [1,0,0,0,1,0|2,0,0]=4 6126 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_200025704644_100000760018 [1,0,0,0,1,0|2,0,0]=4 6127 B8R0.3 CCOC(=O)[C@H](C)OC 7a_100000751109_200000210301 [1,0,0,0,1,0|2,0,0]=4 6128 B8R0.3 CCOC(=O)[C@H](C)O[13CH3] 7a_100000751109_200025704644 [1,0,0,0,1,0|2,0,0]=4 6129 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [1,0,0,0,1,0|2,0,0]=4 6130 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [1,0,0,0,1,0|2,0,0]=4 6131 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [1,0,0,0,1,0|2,0,0]=4 6132 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [1,0,0,0,1,0|2,0,0]=4 6133 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [1,0,0,0,1,0|2,0,0]=4 6134 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [1,0,0,0,1,0|2,0,0]=4 6135 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [1,0,0,0,1,0|2,0,0]=4 6136 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [1,0,0,0,1,0|2,0,0]=4 6137 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [1,0,0,0,1,0|2,0,0]=4 6138 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [1,0,0,0,1,0|2,0,0]=4 6139 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [1,0,0,0,1,0|2,0,0]=4 6140 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [1,0,0,0,1,0|2,0,0]=4 6141 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [1,0,0,0,1,0|2,0,0]=4 6142 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [1,0,0,0,1,0|2,0,0]=4 6143 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [1,0,0,0,1,0|2,0,0]=4 6144 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [1,0,0,0,1,0|2,0,0]=4 6145 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [1,0,0,0,1,0|2,0,0]=4 6146 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [1,0,0,0,1,0|2,0,0]=4 6147 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [1,0,0,0,1,0|2,0,0]=4 6148 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [1,0,0,0,1,0|2,0,0]=4 6149 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [1,0,0,0,1,0|2,0,0]=4 6150 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [1,0,0,0,1,0|2,0,0]=4 6151 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210303 [0,0,0,0,0,2|0,0,2]=4 6152 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000211992_100011215271 [0,0,0,0,0,2|0,0,2]=4 6153 B12R0.285 CCCC(=O)CCNC(=O)OCC 1458a_100000211992_200011445536 [0,0,0,0,0,2|0,0,2]=4 6154 B12R0.285 CCCC(=O)CNCC(O)COC 2230a_100000756049_100000747444 [0,0,0,0,0,2|2,0,0]=4 6155 B12R0.285 CCCC(=O)COCC(C)CCC 7a_100000688023_100000747444 [0,0,0,0,0,2|2,0,0]=4 6156 B12R0.285 CCCC(=O)CSCC(=O)OCC 62a_100000188475_100000747444 [0,0,0,0,0,2|0,0,2]=4 6157 B12R0.285 CCCC(=O)CSCC(=O)OCC 62a_100000747444_100000188475 [0,0,0,0,0,2|0,0,2]=4 6158 B12R0.285 CCCC(=O)CSCC(C)CCC 62a_100000747444_100011216630 [0,0,0,0,0,2|2,0,0]=4 6159 B12R0.285 CCCC(=O)CSCC(C)CCC 62a_100011216630_100000747444 [0,0,0,0,0,2|2,0,0]=4 6160 B12R0.285 CCCC(=O)CSCC(O)COC 62a_100000747444_100011215053 [0,0,0,0,0,2|2,0,0]=4 6161 B12R0.285 CCCC(=O)CSCC(O)COC 62a_100011215053_100000747444 [0,0,0,0,0,2|2,0,0]=4 6162 B12R0.285 CCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000211992 [0,0,0,0,0,2|0,0,2]=4 6163 B12R0.285 CCCC(=O)NNCC(O)CSC 22a_200000122717_100000211992 [0,0,0,0,0,2|2,0,0]=4 6164 B12R0.285 CCCC(=O)OCNC(C)CCC 2230a_100000741246_100000034017 [0,0,0,0,0,2|2,0,0]=4 6165 B12R0.285 CCCC(=O)OCOC(C)CCC 34a_100000764384_100000034017 [0,0,0,0,0,2|2,0,0]=4 6166 B12R0.285 CCCC(=O)OCSC(C)CCC 62a_100000766640_100000034017 [0,0,0,0,0,2|2,0,0]=4 6167 B12R0.285 CCCC(C)CNCC(=O)NCC 2230a_100016988866_100011216630 [0,0,0,0,0,2|2,0,0]=4 6168 B12R0.285 CCCC(C)CNCC(=O)NCC 270004a_100016988866_100000243154 [0,0,0,0,0,2|2,0,0]=4 6169 B12R0.285 CCCC(C)COCC(=O)NCC 34a_100000688023_100000183381 [0,0,0,0,0,2|2,0,0]=4 6170 B12R0.285 CCCC(C)COCC(=O)NCC 7a_100000688023_100000183381 [0,0,0,0,0,2|2,0,0]=4 6171 B12R0.285 CCCC(C)COCC(=O)OCC 34a_100000688023_100000188475 [0,0,0,0,0,2|1,0,0]=3 6172 B12R0.285 CCCC(C)COCC(=O)OCC 7a_100000688023_100000188475 [0,0,0,0,0,2|1,0,0]=3 6173 B12R0.285 CCCC(C)CSCC(=O)NCC 62a_100000183381_100011216630 [0,0,0,0,0,2|2,0,0]=4 6174 B12R0.285 CCCC(C)CSCC(=O)NCC 62a_100011216630_100000183381 [0,0,0,0,0,2|2,0,0]=4 6175 B12R0.285 CCCC(C)CSCC(=O)OCC 62a_100000188475_100011216630 [0,0,0,0,0,2|1,0,0]=3 6176 B12R0.285 CCCC(C)CSCC(=O)OCC 62a_100011216630_100000188475 [0,0,0,0,0,2|1,0,0]=3 6177 B12R0.285 CCCC(C)NCCC(=O)NCC 2230a_100000741246_100000737597 [0,0,0,0,0,2|2,0,0]=4 6178 B12R0.285 CCCC(C)NCCC(=O)NCC 270004a_100025743525_100000211909 [0,0,0,0,0,2|2,0,0]=4 6179 B12R0.285 CCCC(C)NCCC(=O)NCC 34a_100025743525_100000766640 [0,0,0,0,0,2|2,0,0]=4 6180 B12R0.285 CCCC(C)NCCC(=O)OCC 2230a_100000741246_100011206558 [0,0,0,0,0,2|1,0,0]=3 6181 B12R0.285 CCCC(C)OCCC(=O)NCC 7a_100000764384_100000737597 [0,0,0,0,0,2|2,0,0]=4 6182 B12R0.285 CCCC(C)OCCC(=O)OCC 34a_100000764384_100000765890 [0,0,0,0,0,2|1,0,0]=3 6183 B12R0.285 CCCC(C)OCCC(=O)OCC 7a_100000764384_100011206558 [0,0,0,0,0,2|1,0,0]=3 6184 B12R0.285 CCCC(C)SCCC(=O)NCC 62a_100000737597_100000766640 [0,0,0,0,0,2|2,0,0]=4 6185 B12R0.285 CCCC(C)SCCC(=O)NCC 62a_100000766640_100000737597 [0,0,0,0,0,2|2,0,0]=4 6186 B12R0.285 CCCC(C)SCCC(=O)OCC 62a_100000765890_100000766640 [0,0,0,0,0,2|1,0,0]=3 6187 B12R0.285 CCCC(C)SCCC(=O)OCC 62a_100000766640_100000765890 [0,0,0,0,0,2|1,0,0]=3 6188 B12R0.285 CCCC(C)SCOC(=O)OCC 62a_100000766640_100000075025 [0,0,0,0,0,2|1,0,0]=3 6189 B12R0.285 CCCN(C)C/C=C/C(=O)OCC 2230a_100000747261_100016267167 [0,0,0,0,0,2|2,0,0]=4 6190 B12R0.285 CCCN(C)C/C=C/C(=O)OCC 269982a_100000747261_100016267167 [0,0,0,0,0,2|2,0,0]=4 6191 B12R0.285 CCCN(C)CCCC(=O)OCC 2230a_100000747261_100009991533 [0,0,0,0,0,2|2,0,0]=4 6192 B12R0.285 CCCN(C)CCCC(=O)OCC 269982a_100000747261_100009991533 [0,0,0,0,0,2|2,0,0]=4 6193 B12R0.285 CCCN(C)CCNC(=O)OCC 269982a_100000747261_200011445536 [0,0,0,0,0,2|2,0,0]=4 6194 B12R0.285 CCC[C@H](N)COCC(=O)NCC 34a_100000732646_100000183381 [0,0,0,0,0,2|2,0,0]=4 6195 B12R0.285 CCC[C@H](N)COCC(=O)OCC 34a_100000732646_100000188475 [0,0,0,0,0,2|1,0,0]=3 6196 B12R0.285 CCNC(=O)CNCC(O)COC 2230a_100000756049_100000183381 [0,0,0,0,0,2|2,0,0]=4 6197 B12R0.285 CCNC(=O)CNCC(O)COC 34a_100000756049_100000183381 [0,0,0,0,0,2|2,0,0]=4 6198 B12R0.285 CCNC(=O)CSCC(O)COC 62a_100000183381_100011215053 [0,0,0,0,0,2|2,0,0]=4 6199 B12R0.285 CCNC(=O)CSCC(O)COC 62a_100011215053_100000183381 [0,0,0,0,0,2|2,0,0]=4 6200 B12R0.285 CCNC(=O)NNCC(O)CSC 273464a_100015525214_200000122717 [0,0,0,0,0,2|2,0,0]=4 6201 B12R0.285 CCNC(=O)NNCC(O)CSC 512a_100015525214_200000122717 [0,0,0,0,0,2|2,0,0]=4 6202 B12R0.285 CCNC(=O)NNCC(O)CSC 512a_200000122717_100015525214 [0,0,0,0,0,2|2,0,0]=4 6203 B12R0.285 CCOC(=O)CCN[C@H](C)CCO 2230a_100000706166_100011206558 [0,0,0,0,0,2|2,0,0]=4 6204 B12R0.285 CCOC(=O)CCN[C@H](C)CCO 34a_100000706166_100000765890 [0,0,0,0,0,2|2,0,0]=4 6205 B12R0.285 CCOC(=O)CCN[C@H](C)COC 2230a_100000764878_100011206558 [0,0,0,0,0,2|2,0,0]=4 6206 B12R0.285 CCOC(=O)CCOC(C)CCBr 34a_100012276601_100000765890 [0,0,0,0,0,2|2,0,0]=4 6207 B12R0.285 CCOC(=O)CCO[C@H](C)COC 34a_100011934205_100000765890 [0,0,0,0,0,2|2,0,0]=4 6208 B12R0.285 CCOC(=O)CCSC(C)CCO 62a_100000765890_100009893172 [0,0,0,0,0,2|2,0,0]=4 6209 B12R0.285 CCOC(=O)CCSC(C)CCO 62a_100009893172_100000765890 [0,0,0,0,0,2|2,0,0]=4 6210 B12R0.285 CCOC(=O)CCSC(C)COC 62a_100000765312_100000765890 [0,0,0,0,0,2|2,0,0]=4 6211 B12R0.285 CCOC(=O)CCSC(C)COC 62a_100000765890_100000765312 [0,0,0,0,0,2|2,0,0]=4 6212 B12R0.285 CCOC(=O)CNCC(O)COC 2230a_100000756049_100000188475 [0,0,0,0,0,2|1,0,0]=3 6213 B12R0.285 CCOC(=O)CNCC(O)COC 34a_100000756049_100000188475 [0,0,0,0,0,2|1,0,0]=3 6214 B12R0.285 CCOC(=O)COCC(C)CCN 34a_106354213184_100000188475 [0,0,0,0,0,2|2,0,0]=4 6215 B12R0.285 CCOC(=O)COCC(N)COC 34a_100000724102_100000188475 [0,0,0,0,0,2|2,0,0]=4 6216 B12R0.285 CCOC(=O)CSCC(O)COC 62a_100000188475_100011215053 [0,0,0,0,0,2|1,0,0]=3 6217 B12R0.285 CCOC(=O)CSCC(O)COC 62a_100011215053_100000188475 [0,0,0,0,0,2|1,0,0]=3 6218 B12R0.285 CCOC(=O)CSC[C@@H](O)CC#N 62a_100000001066_100000188475 [0,0,0,0,0,2|1,0,1]=4 6219 B12R0.285 CCOC(=O)CSC[C@@H](O)CC#N 62a_100000188475_100000001066 [0,0,0,0,0,2|1,0,1]=4 6220 B12R0.285 CCOC(=O)OCSC(C)CCO 62a_100009893172_100000075025 [0,0,0,0,0,2|2,0,0]=4 6221 B12R0.285 CCOC(=O)OCSC(C)COC 62a_100000765312_100000075025 [0,0,0,0,0,2|2,0,0]=4