0 B12R0.239 C#CCCCC(=O)CC(=O)OCC 1458a_100000243816_100000731252 [0,0,0,0,0,0|0,0,4]=4 1 B12R0.239 C#CCCCC(=O)CC(=O)OCC 1458a_100000690238_100000188475 [0,0,0,0,0,0|0,0,4]=4 2 B12R0.239 C#CCCCN(C)CC(=O)OCC 2230a_100000220588_100000731252 [0,0,0,0,0,0|2,0,2]=4 3 B12R0.239 C#CCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000688953 [0,0,0,0,0,0|2,0,2]=4 4 B12R0.239 C#CCCSC(C)CC(=O)OCC 62a_100000688953_100009817359 [0,0,0,0,0,0|2,0,2]=4 5 B12R0.239 C#CCCSC(C)CC(=O)OCC 62a_100009817359_100000688953 [0,0,0,0,0,0|2,0,2]=4 6 B12R0.239 C#CCNC[C@@H](O)CC(=O)OCC 34a_100000212058_100000688340 [0,0,0,0,0,0|1,0,2]=3 7 B12R0.239 C#CCOC[C@@H](O)CC(=O)OCC 34a_100000210247_100000688340 [0,0,0,0,0,0|1,0,2]=3 8 B12R0.239 C#CCSC[C@@H](O)CC(=O)OCC 62a_100000038162_100000688340 [0,0,0,0,0,0|1,0,2]=3 9 B12R0.239 C/C=C/CO[C@H](C)CC(=O)OCC 7a_100009816390_100102629194 [0,0,0,0,0,0|2,0,2]=4 10 B12R0.239 C/C=C/CSC(C)CC(=O)OCC 62a_100009817359_100102629194 [0,0,0,0,0,0|2,0,2]=4 11 B12R0.239 C/C=C/CSC(C)CC(=O)OCC 62a_100102629194_100009817359 [0,0,0,0,0,0|2,0,2]=4 12 B12R0.239 C=C(CCC)CC(=O)CCCCC 1458a_100000138376_100000210326 [0,0,0,0,0,0|2,0,2]=4 13 B12R0.239 C=CCCCC(=O)CC(=O)OCC 1458a_100000243816_100000757094 [0,0,0,0,0,0|0,0,4]=4 14 B12R0.239 C=CCCCC(=O)CC(=O)OCC 1458a_100000766728_100000188475 [0,0,0,0,0,0|0,0,4]=4 15 B12R0.239 C=CCCCN(C)CC(=O)OCC 2230a_100000220588_100011713584 [0,0,0,0,0,0|2,0,2]=4 16 B12R0.239 C=CCCNC(C)CC(=O)OCC 2230a_100015191253_100009817359 [0,0,0,0,0,0|2,0,2]=4 17 B12R0.239 C=CCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000754431 [0,0,0,0,0,0|2,0,2]=4 18 B12R0.239 C=CCCSC(C)CC(=O)OCC 62a_100000754431_100009817359 [0,0,0,0,0,0|2,0,2]=4 19 B12R0.239 C=CCCSC(C)CC(=O)OCC 62a_100009817359_100000754431 [0,0,0,0,0,0|2,0,2]=4 20 B12R0.239 C=CCOC[C@@H](O)CC(=O)OCC 34a_200000210373_100000688340 [0,0,0,0,0,0|1,0,2]=3 21 B12R0.239 C=CCSC[C@@H](O)CC(=O)OCC 62a_100000210623_100000688340 [0,0,0,0,0,0|1,0,2]=3 22 B12R0.239 C=CCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210623 [0,0,0,0,0,0|1,0,2]=3 23 B12R0.239 C=COC(=O)CC(=O)CCCCC 1458a_100000212188_100000036128 [0,0,0,0,0,0|0,0,4]=4 24 B12R0.239 C=COC(=O)CN(C)CCCCC 2230a_100000223495_100000036128 [0,0,0,0,0,0|2,0,2]=4 25 B12R0.239 C=COC(=O)CN(C)CCCCC 269982a_100000223495_100000036128 [0,0,0,0,0,0|2,0,2]=4 26 B12R0.239 CC#CC(=O)CC(=O)CCCCC 1458a_100000763181_200012276598 [0,0,0,0,0,0|1,0,3]=4 27 B12R0.239 CC#CCNC(C)CC(=O)OCC 2230a_100000685387_100009817359 [0,0,0,0,0,0|2,0,2]=4 28 B12R0.239 CC#CCO[C@H](C)CC(=O)OCC 7a_100009816390_100000748600 [0,0,0,0,0,0|2,0,2]=4 29 B12R0.239 CC#CCSC(C)CC(=O)OCC 62a_100000748600_100009817359 [0,0,0,0,0,0|2,0,2]=4 30 B12R0.239 CC#CCSC(C)CC(=O)OCC 62a_100009817359_100000748600 [0,0,0,0,0,0|2,0,2]=4 31 B12R0.239 CC/C=C/CC(=O)CC(=O)OCC 1458a_100016274230_100000188475 [0,0,0,0,0,0|0,0,4]=4 32 B12R0.239 CC/C=C\CC(=O)CC(=O)OCC 1458a_100000243816_100103147603 [0,0,0,0,0,0|0,0,4]=4 33 B12R0.239 CC/C=C\CN(C)CC(=O)OCC 2230a_100000220588_100103147603 [0,0,0,0,0,0|2,0,2]=4 34 B12R0.239 CC=CC(=O)CC(=O)CCCCC 1458a_100000210699_200012276598 [0,0,0,0,0,0|1,0,3]=4 35 B12R0.239 CC=CC(=O)NC(C)CCCCC 11a_100000211957_100000210699 [0,0,0,0,0,0|3,0,1]=4 36 B12R0.239 CC=CC(=O)NC(C)CCCCC 1626a_100000211957_100000210699 [0,0,0,0,0,0|3,0,1]=4 37 B12R0.239 CC=CC(=O)NC(C)CCCCC 240690a_100000211957_100000210699 [0,0,0,0,0,0|3,0,1]=4 38 B12R0.239 CC=CCO[C@H](C)CC(=O)OCC 7a_100009816390_100000070051 [0,0,0,0,0,0|2,0,2]=4 39 B12R0.239 CC=CCSC(C)CC(=O)OCC 62a_100000070051_100009817359 [0,0,0,0,0,0|2,0,2]=4 40 B12R0.239 CC=CCSC(C)CC(=O)OCC 62a_100009817359_100000070051 [0,0,0,0,0,0|2,0,2]=4 41 B12R0.239 CCC#CCC(=O)CC(=O)OCC 1458a_100000243816_100009813939 [0,0,0,0,0,0|0,0,4]=4 42 B12R0.239 CCC#CCN(C)CC(=O)OCC 2230a_100000220588_100009813939 [0,0,0,0,0,0|2,0,2]=4 43 B12R0.239 CCCC#CC(=O)CC(=O)OCC 1458a_200011218047_100000188475 [0,0,0,0,0,0|0,0,4]=4 44 B12R0.239 CCCC(=O)CC(=O)CCCCO 1458a_100000695505_100000747444 [0,0,0,0,0,0|2,0,2]=4 45 B12R0.239 CCCC(=O)CC(=O)CCCOC 1458a_100000741012_100000747444 [0,0,0,0,0,0|2,0,2]=4 46 B12R0.239 CCCC(=O)CC(=O)CCCSC 1458a_100000173376_100000747444 [0,0,0,0,0,0|2,0,2]=4 47 B12R0.239 CCCC(=O)CC(=O)CCOCC 1458a_100000749530_100000747444 [0,0,0,0,0,0|2,0,2]=4 48 B12R0.239 CCCC(=O)CC(=O)CCSCC 1458a_100000230768_100000747444 [0,0,0,0,0,0|2,0,2]=4 49 B12R0.239 CCCC(=O)CN(C)CCCCO 2230a_100000717598_100000747444 [0,0,0,0,0,0|4,0,0]=4 50 B12R0.239 CCCC(=O)CN(C)CCCCO 269982a_100000717598_100000747444 [0,0,0,0,0,0|4,0,0]=4 51 B12R0.239 CCCC(=O)CN(C)CCCOC 2230a_100000224831_100000747444 [0,0,0,0,0,0|4,0,0]=4 52 B12R0.239 CCCC(=O)CN(C)CCCOC 269982a_100000224831_100000747444 [0,0,0,0,0,0|4,0,0]=4 53 B12R0.239 CCCC=CC(=O)CC(=O)OCC 1458a_100000212230_100000188475 [0,0,0,0,0,0|0,0,4]=4 54 B12R0.239 CCCCCC(=O)CC(=O)CCC 1458a_100000211992_200012276598 [0,0,0,0,0,0|1,0,2]=3 55 B12R0.239 CCCCCC(=O)CC(=O)CCC 1458a_100000212188_100000747444 [0,0,0,0,0,0|1,0,2]=3 56 B12R0.239 CCCCCC(=O)CC(=O)CCO 1458a_100011216618_200012276598 [0,0,0,0,0,0|2,0,2]=4 57 B12R0.239 CCCCCC(=O)CC(=O)COC 1458a_100000210968_200012276598 [0,0,0,0,0,0|2,0,2]=4 58 B12R0.239 CCCCCC(=O)CC(=O)CSC 1458a_100000184570_200012276598 [0,0,0,0,0,0|2,0,2]=4 59 B12R0.239 CCCCCC(=O)CC(=O)NCC 1458a_100000212188_100000183381 [0,0,0,0,0,0|1,0,2]=3 60 B12R0.239 CCCCCC(=O)CC(=O)NCO 1458a_100000212188_100000185155 [0,0,0,0,0,0|2,0,2]=4 61 B12R0.239 CCCCCC(=O)CC(=O)OCC 1458a_100000212188_100000188475 [0,0,0,0,0,0|0,0,2]=2 62 B12R0.239 CCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210326 [0,0,0,0,0,0|0,0,2]=2 63 B12R0.239 CCCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210326 [0,0,0,0,0,0|2,0,2]=4 64 B12R0.239 CCCCCC(C)NC(=O)CCC 11a_100000211957_100000211992 [0,0,0,0,0,0|3,0,0]=3 65 B12R0.239 CCCCCC(C)NC(=O)CCC 1626a_100000211957_100000211992 [0,0,0,0,0,0|3,0,0]=3 66 B12R0.239 CCCCCC(C)NC(=O)CCC 240690a_100000211957_100000211992 [0,0,0,0,0,0|3,0,0]=3 67 B12R0.239 CCCCCC(C)NC(=O)CCC 527a_100000211957_100000211992 [0,0,0,0,0,0|3,0,0]=3 68 B12R0.239 CCCCCC(C)NC(=O)CCO 240690a_100000211957_100011216618 [0,0,0,0,0,0|4,0,0]=4 69 B12R0.239 CCCCCC(C)NC(=O)CNC 2230a_106832991635_100000230335 [0,0,0,0,0,0|4,0,0]=4 70 B12R0.239 CCCCCC(C)NC(=O)CNC 34a_100102657272_100000230335 [0,0,0,0,0,0|4,0,0]=4 71 B12R0.239 CCCCCC(C)NC(=O)CNC 7a_106832991635_100000230335 [0,0,0,0,0,0|4,0,0]=4 72 B12R0.239 CCCCCC(C)NC(=O)COC 11a_100000211957_100000210968 [0,0,0,0,0,0|4,0,0]=4 73 B12R0.239 CCCCCC(C)NC(=O)COC 1626a_100000211957_100000210968 [0,0,0,0,0,0|4,0,0]=4 74 B12R0.239 CCCCCC(C)NC(=O)COC 240690a_100000211957_100000210968 [0,0,0,0,0,0|4,0,0]=4 75 B12R0.239 CCCCCC(C)NC(=O)COC 34a_100138415774_100000230335 [0,0,0,0,0,0|4,0,0]=4 76 B12R0.239 CCCCCC(C)NC(=O)COC 527a_100000211957_100000210968 [0,0,0,0,0,0|4,0,0]=4 77 B12R0.239 CCCCCC(C)NC(=O)CSC 11a_100000211957_100000184570 [0,0,0,0,0,0|4,0,0]=4 78 B12R0.239 CCCCCC(C)NC(=O)CSC 1626a_100000211957_100000184570 [0,0,0,0,0,0|4,0,0]=4 79 B12R0.239 CCCCCC(C)NC(=O)CSC 240690a_100000211957_100000184570 [0,0,0,0,0,0|4,0,0]=4 80 B12R0.239 CCCCCC(C)NC(=O)CSC 527a_100000211957_100000184570 [0,0,0,0,0,0|4,0,0]=4 81 B12R0.239 CCCCCC(C)NC(=O)CSC 62a_100000230335_200000210301 [0,0,0,0,0,0|4,0,0]=4 82 B12R0.239 CCCCCC(C)NC(=O)CSC 62a_200000210301_100000230335 [0,0,0,0,0,0|4,0,0]=4 83 B12R0.239 CCCCCC(C)NC(=O)CS[13CH3] 62a_100000230335_200025704644 [0,0,0,0,0,0|4,0,0]=4 84 B12R0.239 CCCCCC(C)NC(=O)CS[13CH3] 62a_200025704644_100000230335 [0,0,0,0,0,0|4,0,0]=4 85 B12R0.239 CCCCCC(C)NC(=O)NCC 2708a_100000211957_100015525214 [0,0,0,0,0,0|3,0,0]=3 86 B12R0.239 CCCCCC(C)NC(=O)NCC 2708a_100015525214_100000211957 [0,0,0,0,0,0|3,0,0]=3 87 B12R0.239 CCCCCC(C)NC(=O)NCC 273464a_100000211957_100015525214 [0,0,0,0,0,0|3,0,0]=3 88 B12R0.239 CCCCCC(C)NC(=O)NCC 273464a_100015525214_100000211957 [0,0,0,0,0,0|3,0,0]=3 89 B12R0.239 CCCCCC(C)NC(=O)NCC 512a_100000211957_100015525214 [0,0,0,0,0,0|3,0,0]=3 90 B12R0.239 CCCCCC(C)NC(=O)NCC 512a_100015525214_100000211957 [0,0,0,0,0,0|3,0,0]=3 91 B12R0.239 CCCCCC(C)NC(=O)NNC 273464a_100000211957_100016993582 [0,0,0,0,0,0|4,0,0]=4 92 B12R0.239 CCCCCC(C)NC(=O)NNC 512a_100000211957_100016993582 [0,0,0,0,0,0|4,0,0]=4 93 B12R0.239 CCCCCC(C)NC(=O)NNC 512a_100016993582_100000211957 [0,0,0,0,0,0|4,0,0]=4 94 B12R0.239 CCCCCC(C)OC(=O)CNC 2230a_106832991635_200000092394 [0,0,0,0,0,0|4,0,0]=4 95 B12R0.239 CCCCCC(C)OC(=O)CNC 34a_100102657272_200000092394 [0,0,0,0,0,0|4,0,0]=4 96 B12R0.239 CCCCCC(C)OC(=O)CNC 7a_106832991635_200000092394 [0,0,0,0,0,0|4,0,0]=4 97 B12R0.239 CCCCCC(C)OC(=O)COC 34a_100138415774_200000092394 [0,0,0,0,0,0|4,0,0]=4 98 B12R0.239 CCCCCC(C)OC(=O)CSC 62a_200000092394_200000210301 [0,0,0,0,0,0|4,0,0]=4 99 B12R0.239 CCCCCC(C)OC(=O)CSC 62a_200000210301_200000092394 [0,0,0,0,0,0|4,0,0]=4 100 B12R0.239 CCCCCC(C)OC(=O)CS[13CH3] 62a_200000092394_200025704644 [0,0,0,0,0,0|4,0,0]=4 101 B12R0.239 CCCCCC(C)OC(=O)CS[13CH3] 62a_200025704644_200000092394 [0,0,0,0,0,0|4,0,0]=4 102 B12R0.239 CCCCCN(C)CC(=O)CCC 2230a_100000223495_100000747444 [0,0,0,0,0,0|3,0,0]=3 103 B12R0.239 CCCCCN(C)CC(=O)CCC 269982a_100000223495_100000747444 [0,0,0,0,0,0|3,0,0]=3 104 B12R0.239 CCCCCN(C)CC(=O)NCC 2230a_100000223495_100000183381 [0,0,0,0,0,0|3,0,0]=3 105 B12R0.239 CCCCCN(C)CC(=O)NCC 2230a_100000741943_100000210326 [0,0,0,0,0,0|3,0,0]=3 106 B12R0.239 CCCCCN(C)CC(=O)NCC 269982a_100000223495_100000183381 [0,0,0,0,0,0|3,0,0]=3 107 B12R0.239 CCCCCN(C)CC(=O)NCC 269982a_100000741943_100000210215 [0,0,0,0,0,0|3,0,0]=3 108 B12R0.239 CCCCCN(C)CC(=O)NCO 2230a_100000223495_100000185155 [0,0,0,0,0,0|4,0,0]=4 109 B12R0.239 CCCCCN(C)CC(=O)NCO 269982a_100000223495_100000185155 [0,0,0,0,0,0|4,0,0]=4 110 B12R0.239 CCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210326 [0,0,0,0,0,0|2,0,0]=2 111 B12R0.239 CCCCCN(C)CC(=O)OCC 2230a_100000223495_100000188475 [0,0,0,0,0,0|2,0,0]=2 112 B12R0.239 CCCCCN(C)CC(=O)OCC 269982a_100000223495_100000188475 [0,0,0,0,0,0|2,0,0]=2 113 B12R0.239 CCCCNC(=O)CC(=O)CCC 1458a_100000211992_100000182744 [0,0,0,0,0,0|2,0,2]=4 114 B12R0.239 CCCCNC(=O)CC(=O)OCC 240690a_100000102301_100000243816 [0,0,0,0,0,0|1,0,2]=3 115 B12R0.239 CCCCNC(C)CC(=O)OCC 2230a_100000102301_100009817359 [0,0,0,0,0,0|2,0,0]=2 116 B12R0.239 CCCCNC(C)CC(=O)OCC 7a_106832991798_100009817359 [0,0,0,0,0,0|2,0,0]=2 117 B12R0.239 CCCCOC(=O)CC(=O)CCC 1458a_100000211992_100000211628 [0,0,0,0,0,0|2,0,2]=4 118 B12R0.239 CCCCOC(C)CC(=O)OCC 7a_100000210227_100009817359 [0,0,0,0,0,0|2,0,0]=2 119 B12R0.239 CCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210211 [0,0,0,0,0,0|2,0,0]=2 120 B12R0.239 CCCCSC(C)CC(=O)OCC 62a_100000210211_100009817359 [0,0,0,0,0,0|2,0,0]=2 121 B12R0.239 CCCCSC(C)CC(=O)OCC 62a_100009817359_100000210210 [0,0,0,0,0,0|2,0,0]=2 122 B12R0.239 CCCCSC(C)OC(=O)OCC 62a_100000036008_100000210210 [0,0,0,0,0,0|3,0,0]=3 123 B12R0.239 CCCCSC(C)OC(=O)OCC 62a_100000210211_100000036008 [0,0,0,0,0,0|3,0,0]=3 124 B12R0.239 CCCNNC(=O)CC(=O)OCC 22a_100000740057_100000243816 [0,0,0,0,0,0|2,0,2]=4 125 B12R0.239 CCCOCC(=CC(=O)OCC)C 34a_100000210258_100135422193 [0,0,0,0,0,0|2,0,2]=4 126 B12R0.239 CCCOCC(=O)CC(=O)CCC 1458a_100000745993_100000747444 [0,0,0,0,0,0|2,0,2]=4 127 B12R0.239 CCCOCC(=O)CC(=O)NCC 1458a_100000745993_100000183381 [0,0,0,0,0,0|2,0,2]=4 128 B12R0.239 CCCOCC(=O)CC(=O)OCC 1458a_100000745993_100000188475 [0,0,0,0,0,0|1,0,2]=3 129 B12R0.239 CCCOC[C@@H](O)CC(=O)OCC 34a_100000210258_100000688340 [0,0,0,0,0,0|1,0,0]=1 130 B12R0.239 CCCSCC(=CC(=O)OCC)C 62a_100000210303_100135422193 [0,0,0,0,0,0|2,0,2]=4 131 B12R0.239 CCCSCC(=CC(=O)OCC)C 62a_100135422193_100000210303 [0,0,0,0,0,0|2,0,2]=4 132 B12R0.239 CCCSCC(=O)CC(=O)CCC 1458a_100000217233_100000747444 [0,0,0,0,0,0|2,0,2]=4 133 B12R0.239 CCCSCC(=O)CC(=O)NCC 1458a_100000217233_100000183381 [0,0,0,0,0,0|2,0,2]=4 134 B12R0.239 CCCSCC(=O)CC(=O)OCC 1458a_100000217233_100000188475 [0,0,0,0,0,0|1,0,2]=3 135 B12R0.239 CCCSCC(=O)CC(=O)OCC 62a_100000210303_100000210311 [0,0,0,0,0,0|1,0,2]=3 136 B12R0.239 CCCSCC(=O)CC(=O)OCC 62a_100000210311_100000210303 [0,0,0,0,0,0|1,0,2]=3 137 B12R0.239 CCCSCC(=O)NC(=O)OCC 62a_100000210303_100000010344 [0,0,0,0,0,0|2,0,2]=4 138 B12R0.239 CCCSC[C@@H](O)CC(=O)OCC 62a_100000210303_100000688340 [0,0,0,0,0,0|1,0,0]=1 139 B12R0.239 CCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210303 [0,0,0,0,0,0|1,0,0]=1 140 B12R0.239 CCNC(=O)CC(=O)CCCCO 1458a_100000695505_100000183381 [0,0,0,0,0,0|2,0,2]=4 141 B12R0.239 CCNC(=O)CC(=O)CCCOC 1458a_100000741012_100000183381 [0,0,0,0,0,0|2,0,2]=4 142 B12R0.239 CCNC(=O)CC(=O)CCCSC 1458a_100000173376_100000183381 [0,0,0,0,0,0|2,0,2]=4 143 B12R0.239 CCNC(=O)CC(=O)CCOCC 1458a_100000749530_100000183381 [0,0,0,0,0,0|2,0,2]=4 144 B12R0.239 CCNC(=O)CC(=O)CCSCC 1458a_100000230768_100000183381 [0,0,0,0,0,0|2,0,2]=4 145 B12R0.239 CCNC(=O)CN(C)CCCCF 2230a_100000741943_100000729493 [0,0,0,0,0,0|4,0,0]=4 146 B12R0.239 CCNC(=O)CN(C)CCCCF 269982a_100000741943_100000729493 [0,0,0,0,0,0|4,0,0]=4 147 B12R0.239 CCNC(=O)CN(C)CCCCO 2230a_100000717598_100000183381 [0,0,0,0,0,0|4,0,0]=4 148 B12R0.239 CCNC(=O)CN(C)CCCCO 2230a_100000741943_100000210776 [0,0,0,0,0,0|4,0,0]=4 149 B12R0.239 CCNC(=O)CN(C)CCCCO 269982a_100000717598_100000183381 [0,0,0,0,0,0|4,0,0]=4 150 B12R0.239 CCNC(=O)CN(C)CCCCO 269982a_100000741943_100000210776 [0,0,0,0,0,0|4,0,0]=4 151 B12R0.239 CCNC(=O)CN(C)CCCOC 2230a_100000224831_100000183381 [0,0,0,0,0,0|4,0,0]=4 152 B12R0.239 CCNC(=O)CN(C)CCCOC 2230a_100000741943_100000740836 [0,0,0,0,0,0|4,0,0]=4 153 B12R0.239 CCNC(=O)CN(C)CCCOC 269982a_100000224831_100000183381 [0,0,0,0,0,0|4,0,0]=4 154 B12R0.239 CCNC(=O)CN(C)CCCOC 269982a_100000741943_100000740836 [0,0,0,0,0,0|4,0,0]=4 155 B12R0.239 CCNC(=O)CN(C)CCOCC 2230a_100000741943_100011215890 [0,0,0,0,0,0|4,0,0]=4 156 B12R0.239 CCNC(=O)CN(C)CCOCC 269982a_100000741943_100011215890 [0,0,0,0,0,0|4,0,0]=4 157 B12R0.239 CCNC(=O)CN(C)CCSCC 2230a_100000741943_100000757381 [0,0,0,0,0,0|4,0,0]=4 158 B12R0.239 CCNC(=O)CN(C)CCSCC 269982a_100000741943_100000757381 [0,0,0,0,0,0|4,0,0]=4 159 B12R0.239 CCOC(=O)CC(=O)CCCC#N 1458a_100000075515_100000188475 [0,0,0,0,0,0|1,0,3]=4 160 B12R0.239 CCOC(=O)CC(=O)CCCC#N 1458a_100000243816_100000211468 [0,0,0,0,0,0|1,0,3]=4 161 B12R0.239 CCOC(=O)CC(=O)CCCCF 1458a_100000243816_100000729493 [0,0,0,0,0,0|1,0,2]=3 162 B12R0.239 CCOC(=O)CC(=O)CCCCO 1458a_100000243816_100000210776 [0,0,0,0,0,0|1,0,2]=3 163 B12R0.239 CCOC(=O)CC(=O)CCCCO 1458a_100000695505_100000188475 [0,0,0,0,0,0|1,0,2]=3 164 B12R0.239 CCOC(=O)CC(=O)CCCOC 1458a_100000243816_100000740836 [0,0,0,0,0,0|1,0,2]=3 165 B12R0.239 CCOC(=O)CC(=O)CCCOC 1458a_100000741012_100000188475 [0,0,0,0,0,0|1,0,2]=3 166 B12R0.239 CCOC(=O)CC(=O)CCCSC 1458a_100000173376_100000188475 [0,0,0,0,0,0|1,0,2]=3 167 B12R0.239 CCOC(=O)CC(=O)CCSCC 1458a_100000230768_100000188475 [0,0,0,0,0,0|1,0,2]=3 168 B12R0.239 CCOC(=O)CC(=O)CCSCC 1458a_100000243816_100000757381 [0,0,0,0,0,0|1,0,2]=3 169 B12R0.239 CCOC(=O)CC(=O)COCCO 1458a_100000708028_100000188475 [0,0,0,0,0,0|2,0,2]=4 170 B12R0.239 CCOC(=O)CC(=O)CSCCF 62a_100000210311_100011217306 [0,0,0,0,0,0|2,0,2]=4 171 B12R0.239 CCOC(=O)CC(=O)CSCCF 62a_100011217306_100000210311 [0,0,0,0,0,0|2,0,2]=4 172 B12R0.239 CCOC(=O)CC(=O)CSCCO 62a_100000210311_100000211926 [0,0,0,0,0,0|2,0,2]=4 173 B12R0.239 CCOC(=O)CC(=O)CSCCO 62a_100000211926_100000210311 [0,0,0,0,0,0|2,0,2]=4 174 B12R0.239 CCOC(=O)CC(=O)CSCOC 62a_100000210311_100000766300 [0,0,0,0,0,0|2,0,2]=4 175 B12R0.239 CCOC(=O)CC(=O)CSCOC 62a_100000766300_100000210311 [0,0,0,0,0,0|2,0,2]=4 176 B12R0.239 CCOC(=O)CC(=O)CSCSC 62a_100000210311_100011218213 [0,0,0,0,0,0|2,0,2]=4 177 B12R0.239 CCOC(=O)CC(=O)CSCSC 62a_100011218213_100000210311 [0,0,0,0,0,0|2,0,2]=4 178 B12R0.239 CCOC(=O)CC(=O)NCCCF 240690a_100015189416_100000243816 [0,0,0,0,0,0|2,0,2]=4 179 B12R0.239 CCOC(=O)CC(=O)NCCCO 240690a_100000182051_100000243816 [0,0,0,0,0,0|2,0,2]=4 180 B12R0.239 CCOC(=O)CC(=O)NCCOC 240690a_100000209980_100000243816 [0,0,0,0,0,0|2,0,2]=4 181 B12R0.239 CCOC(=O)CC(=O)NCCSC 240690a_100020590264_100000243816 [0,0,0,0,0,0|2,0,2]=4 182 B12R0.239 CCOC(=O)CC(C)NCCCF 2230a_100015189416_100009817359 [0,0,0,0,0,0|3,0,0]=3 183 B12R0.239 CCOC(=O)CC(C)NCCOC 2230a_100000209980_100009817359 [0,0,0,0,0,0|3,0,0]=3 184 B12R0.239 CCOC(=O)CC(C)NCCSC 2230a_100020590264_100009817359 [0,0,0,0,0,0|3,0,0]=3 185 B12R0.239 CCOC(=O)CC(C)OCCSC 7a_100000230434_100009817359 [0,0,0,0,0,0|3,0,0]=3 186 B12R0.239 CCOC(=O)CC(C)SCCC#N 62a_100009817359_100011215226 [0,0,0,0,0,0|3,0,1]=4 187 B12R0.239 CCOC(=O)CC(C)SCCC#N 62a_100011215226_100009817359 [0,0,0,0,0,0|3,0,1]=4 188 B12R0.239 CCOC(=O)CC(C)SCCCF 62a_100009817359_100011934791 [0,0,0,0,0,0|3,0,0]=3 189 B12R0.239 CCOC(=O)CC(C)SCCCF 62a_100011934791_100009817359 [0,0,0,0,0,0|3,0,0]=3 190 B12R0.239 CCOC(=O)CC(C)SCCCO 62a_100009817359_100011215043 [0,0,0,0,0,0|3,0,0]=3 191 B12R0.239 CCOC(=O)CC(C)SCCCO 62a_100011215043_100009817359 [0,0,0,0,0,0|3,0,0]=3 192 B12R0.239 CCOC(=O)CC(C)SCCOC 62a_100000233755_100009817359 [0,0,0,0,0,0|3,0,0]=3 193 B12R0.239 CCOC(=O)CC(C)SCCOC 62a_100009817359_100000233755 [0,0,0,0,0,0|3,0,0]=3 194 B12R0.239 CCOC(=O)CC(C)SCCSC 62a_100000212216_100009817359 [0,0,0,0,0,0|3,0,0]=3 195 B12R0.239 CCOC(=O)CC(C)SCCSC 62a_100009817359_100000751147 [0,0,0,0,0,0|3,0,0]=3 196 B12R0.239 CCOC(=O)CN(C)CCCC#N 2230a_100000220588_100000687738 [0,0,0,0,0,0|3,0,1]=4 197 B12R0.239 CCOC(=O)CN(C)CCCC=O 2230a_100000220588_200011292268 [0,0,0,0,0,0|3,0,1]=4 198 B12R0.239 CCOC(=O)CN(C)CCCCF 2230a_100000220588_100000729493 [0,0,0,0,0,0|3,0,0]=3 199 B12R0.239 CCOC(=O)CN(C)CCCCO 2230a_100000220588_100000210776 [0,0,0,0,0,0|3,0,0]=3 200 B12R0.239 CCOC(=O)CN(C)CCCCO 2230a_100000717598_100000188475 [0,0,0,0,0,0|3,0,0]=3 201 B12R0.239 CCOC(=O)CN(C)CCCCO 269982a_100000717598_100000188475 [0,0,0,0,0,0|3,0,0]=3 202 B12R0.239 CCOC(=O)CN(C)CCCOC 2230a_100000220588_100000740836 [0,0,0,0,0,0|3,0,0]=3 203 B12R0.239 CCOC(=O)CN(C)CCCOC 2230a_100000224831_100000188475 [0,0,0,0,0,0|3,0,0]=3 204 B12R0.239 CCOC(=O)CN(C)CCCOC 269982a_100000224831_100000188475 [0,0,0,0,0,0|3,0,0]=3 205 B12R0.239 CCOC(=O)CN(C)CCSCC 2230a_100000220588_100000757381 [0,0,0,0,0,0|3,0,0]=3 206 B12R0.239 CCOC(=O)C[C@@H](C)OCCC#N 7a_100009816390_100000184422 [0,0,0,0,0,0|3,0,1]=4 207 B12R0.239 CCOC(=O)C[C@@H](C)OCCCF 7a_100009816390_100011934791 [0,0,0,0,0,0|3,0,0]=3 208 B12R0.239 CCOC(=O)C[C@@H](C)OCCCO 7a_100009816390_100011215043 [0,0,0,0,0,0|3,0,0]=3 209 B12R0.239 CCOC(=O)C[C@@H](C)OCCOC 7a_100009816390_100000233755 [0,0,0,0,0,0|3,0,0]=3 210 B12R0.239 CCOC(=O)C[C@@H](C)OCCSC 7a_100009816390_100000212216 [0,0,0,0,0,0|3,0,0]=3 211 B12R0.239 CCOC(=O)C[C@H](O)CNCCF 34a_100000724931_100000688340 [0,0,0,0,0,0|2,0,0]=2 212 B12R0.239 CCOC(=O)C[C@H](O)CNCCO 34a_100016990907_100000688340 [0,0,0,0,0,0|2,0,0]=2 213 B12R0.239 CCOC(=O)C[C@H](O)COCCBr 34a_100000211926_100000688340 [0,0,0,0,0,0|2,0,0]=2 214 B12R0.239 CCOC(=O)C[C@H](O)COCCN 34a_100000210304_100000688340 [0,0,0,0,0,0|2,0,0]=2 215 B12R0.239 CCOC(=O)C[C@H](O)CSCC#N 62a_100000688340_100011215382 [0,0,0,0,0,0|2,0,1]=3 216 B12R0.239 CCOC(=O)C[C@H](O)CSCC#N 62a_100011215382_100000688340 [0,0,0,0,0,0|2,0,1]=3 217 B12R0.239 CCOC(=O)C[C@H](O)CSCC=O 62a_100000688340_200015260668 [0,0,0,0,0,0|2,0,1]=3 218 B12R0.239 CCOC(=O)C[C@H](O)CSCC=O 62a_200015260668_100000688340 [0,0,0,0,0,0|2,0,1]=3 219 B12R0.239 CCOC(=O)C[C@H](O)CSCCF 62a_100000688340_100011217306 [0,0,0,0,0,0|2,0,0]=2 220 B12R0.239 CCOC(=O)C[C@H](O)CSCCF 62a_100011217306_100000688340 [0,0,0,0,0,0|2,0,0]=2 221 B12R0.239 CCOC(=O)C[C@H](O)CSCCO 62a_100000211926_100000688340 [0,0,0,0,0,0|2,0,0]=2 222 B12R0.239 CCOC(=O)C[C@H](O)CSCCO 62a_100000688340_100000211926 [0,0,0,0,0,0|2,0,0]=2 223 B12R0.239 CCOC(=O)C[C@H](O)CSCOC 62a_100000688340_100000766300 [0,0,0,0,0,0|2,0,0]=2 224 B12R0.239 CCOC(=O)C[C@H](O)CSCOC 62a_100000766300_100000688340 [0,0,0,0,0,0|2,0,0]=2 225 B12R0.239 CCOC(=O)C[C@H](O)CSCSC 62a_100000688340_100011218213 [0,0,0,0,0,0|2,0,0]=2 226 B12R0.239 CCOC(=O)C[C@H](O)CSCSC 62a_100011218213_100000688340 [0,0,0,0,0,0|2,0,0]=2 227 B12R0.239 CCOC(=O)OC(C)SCCCF 62a_100000036008_100011934791 [0,0,0,0,0,0|4,0,0]=4 228 B12R0.239 CCOC(=O)OC(C)SCCCF 62a_100011934791_100000036008 [0,0,0,0,0,0|4,0,0]=4 229 B12R0.239 CCOC(=O)OC(C)SCCCO 62a_100000036008_100011215043 [0,0,0,0,0,0|4,0,0]=4 230 B12R0.239 CCOC(=O)OC(C)SCCCO 62a_100011215043_100000036008 [0,0,0,0,0,0|4,0,0]=4 231 B12R0.239 CCOC(=O)OC(C)SCCOC 62a_100000036008_100000233755 [0,0,0,0,0,0|4,0,0]=4 232 B12R0.239 CCOC(=O)OC(C)SCCOC 62a_100000233755_100000036008 [0,0,0,0,0,0|4,0,0]=4 233 B12R0.239 CCOC(=O)OC(C)SCCSC 62a_100000036008_100000751147 [0,0,0,0,0,0|4,0,0]=4 234 B12R0.239 CCOC(=O)OC(C)SCCSC 62a_100000212216_100000036008 [0,0,0,0,0,0|4,0,0]=4 235 B12R0.239 CCOCCC(=O)CC(=O)OCC 1458a_100000243816_100011215890 [0,0,0,0,0,0|1,0,2]=3 236 B12R0.239 CCOCCC(=O)CC(=O)OCC 1458a_100000749530_100000188475 [0,0,0,0,0,0|1,0,2]=3 237 B12R0.239 CCOCCN(C)CC(=O)OCC 2230a_100000220588_100011215890 [0,0,0,0,0,0|3,0,0]=3 238 B12R0.239 CCOCSC(C)CC(=O)OCC 62a_100000739092_100009817359 [0,0,0,0,0,0|3,0,0]=3 239 B12R0.239 CCOCSC(C)CC(=O)OCC 62a_100009817359_100000739092 [0,0,0,0,0,0|3,0,0]=3 240 B12R0.239 CCOCSC(C)OC(=O)OCC 62a_100000036008_100000739092 [0,0,0,0,0,0|4,0,0]=4 241 B12R0.239 CCOCSC(C)OC(=O)OCC 62a_100000739092_100000036008 [0,0,0,0,0,0|4,0,0]=4 242 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100000211969_100000184674 [1,0,0,0,0,0|1,0,2]=4 243 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100011220946_100000210614 [1,0,0,0,0,0|1,0,2]=4 244 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000211992_100012094781 [1,0,0,0,0,0|1,0,2]=4 245 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000694772_100000210303 [1,0,0,0,0,0|1,0,2]=4 246 B11R0.4 C#CCCCCCC(=O)NCC 11a_100015525214_100000694772 [1,0,0,0,0,0|1,0,2]=4 247 B11R0.4 C#CCCCCCC(=O)NCC 240690a_100015525214_100000694772 [1,0,0,0,0,0|1,0,2]=4 248 B11R0.4 C#CCCCCCC(=O)NCC 527a_100015525214_100000694772 [1,0,0,0,0,0|1,0,2]=4 249 B11R0.4 C#CCCCNCC(=O)OCC 34a_100000718082_100000188475 [1,0,0,0,0,0|1,0,2]=4 250 B11R0.4 C#CCCCOCC(=O)OCC 34a_100000215630_100000188475 [1,0,0,0,0,0|1,0,2]=4 251 B11R0.4 C#CCCCOCC(=O)OCC 7a_100000215630_100000188475 [1,0,0,0,0,0|1,0,2]=4 252 B11R0.4 C#CCCCSCC(=O)OCC 62a_100000188475_100011215417 [1,0,0,0,0,0|1,0,2]=4 253 B11R0.4 C#CCCCSCC(=O)OCC 62a_100011215417_100000188475 [1,0,0,0,0,0|1,0,2]=4 254 B11R0.4 C#CCCNCCC(=O)OCC 34a_100000755551_100000765890 [1,0,0,0,0,0|1,0,2]=4 255 B11R0.4 C#CCCOCCC(=O)OCC 34a_100011215631_100000765890 [1,0,0,0,0,0|1,0,2]=4 256 B11R0.4 C#CCCSCCC(=O)OCC 62a_100000688953_100000765890 [1,0,0,0,0,0|1,0,2]=4 257 B11R0.4 C#CCCSCCC(=O)OCC 62a_100000765890_100000688953 [1,0,0,0,0,0|1,0,2]=4 258 B11R0.4 C#CCNCCCC(=O)OCC 34a_100000212058_100009991533 [1,0,0,0,0,0|1,0,2]=4 259 B11R0.4 C#CCOCCCC(=O)OCC 34a_100000210247_100009991533 [1,0,0,0,0,0|1,0,2]=4 260 B11R0.4 C#CCOCCCC(=O)OCC 7a_100012001163_100000038162 [1,0,0,0,0,0|1,0,2]=4 261 B11R0.4 C#CCSCCCC(=O)OCC 62a_100000038162_100009991533 [1,0,0,0,0,0|1,0,2]=4 262 B11R0.4 C/C=C/CCOCC(=O)OCC 34a_100016278192_100000188475 [1,0,0,0,0,0|1,0,2]=4 263 B11R0.4 C/C=C/COCCC(=O)OCC 34a_100016270725_100000765890 [1,0,0,0,0,0|1,0,2]=4 264 B11R0.4 C/C=C/CSCCC(=O)OCC 62a_100000765890_100102629194 [1,0,0,0,0,0|1,0,2]=4 265 B11R0.4 C/C=C/CSCCC(=O)OCC 62a_100102629194_100000765890 [1,0,0,0,0,0|1,0,2]=4 266 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000210193_100000210614 [1,0,0,0,0,0|1,0,2]=4 267 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000211969_100000210623 [1,0,0,0,0,0|1,0,2]=4 268 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100000211992_100000700193 [1,0,0,0,0,0|1,0,2]=4 269 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100011934241_100000210303 [1,0,0,0,0,0|1,0,2]=4 270 B11R0.4 C=CCCCCCC(=O)NCC 11a_100015525214_100011934241 [1,0,0,0,0,0|1,0,2]=4 271 B11R0.4 C=CCCCCCC(=O)NCC 240690a_100015525214_100011934241 [1,0,0,0,0,0|1,0,2]=4 272 B11R0.4 C=CCCCCCC(=O)NCC 527a_100015525214_100011934241 [1,0,0,0,0,0|1,0,2]=4 273 B11R0.4 C=CCCCNCC(=O)OCC 2230a_100000700776_100000188475 [1,0,0,0,0,0|1,0,2]=4 274 B11R0.4 C=CCCCNCC(=O)OCC 34a_100000700776_100000188475 [1,0,0,0,0,0|1,0,2]=4 275 B11R0.4 C=CCCCOCC(=O)OCC 34a_100000758997_100000188475 [1,0,0,0,0,0|1,0,2]=4 276 B11R0.4 C=CCCCOCC(=O)OCC 7a_100000758997_100000188475 [1,0,0,0,0,0|1,0,2]=4 277 B11R0.4 C=CCCCSCC(=O)OCC 62a_100000188475_100000757094 [1,0,0,0,0,0|1,0,2]=4 278 B11R0.4 C=CCCCSCC(=O)OCC 62a_100011713584_100000188475 [1,0,0,0,0,0|1,0,2]=4 279 B11R0.4 C=CCCNCCC(=O)OCC 2230a_100015191253_100011206558 [1,0,0,0,0,0|1,0,2]=4 280 B11R0.4 C=CCCOCCC(=O)OCC 34a_100011205117_100000765890 [1,0,0,0,0,0|1,0,2]=4 281 B11R0.4 C=CCCSCCC(=O)OCC 62a_100000754431_100000765890 [1,0,0,0,0,0|1,0,2]=4 282 B11R0.4 C=CCCSCCC(=O)OCC 62a_100000765890_100000754431 [1,0,0,0,0,0|1,0,2]=4 283 B11R0.4 C=CCNCCCC(=O)OCC 2230a_100020586998_100009991533 [1,0,0,0,0,0|1,0,2]=4 284 B11R0.4 C=CCOCCCC(=O)OCC 34a_200000210373_100009991533 [1,0,0,0,0,0|1,0,2]=4 285 B11R0.4 C=CCOCCCC(=O)OCC 7a_100012001163_100015514636 [1,0,0,0,0,0|1,0,2]=4 286 B11R0.4 C=CCSCCCC(=O)OCC 62a_100000210623_100009991533 [1,0,0,0,0,0|1,0,2]=4 287 B11R0.4 C=CCSCCCC(=O)OCC 62a_100009991533_100000210623 [1,0,0,0,0,0|1,0,2]=4 288 B11R0.4 C=COC(=O)CNCCCCC 2230a_100000209983_100000036128 [1,0,0,0,0,0|1,0,2]=4 289 B11R0.4 C=COC(=O)COCCCCC 34a_100000210253_100000036128 [1,0,0,0,0,0|1,0,2]=4 290 B11R0.4 C=COC(=O)CSCCCCC 62a_100000036128_100000210326 [1,0,0,0,0,0|1,0,2]=4 291 B11R0.4 C=COC(=O)CSCCCCC 62a_100000210326_100000036128 [1,0,0,0,0,0|1,0,2]=4 292 B11R0.4 CC#CC(=O)CCCCCCC 1458a_100000763181_100000210614 [1,0,0,0,0,0|1,0,1]=3 293 B11R0.4 CC#CC(=O)CCCCCCF 1458a_100000763181_100015922095 [1,0,0,0,0,0|2,0,1]=4 294 B11R0.4 CC#CC(=O)CCCCCCO 1458a_100000763181_100000766143 [1,0,0,0,0,0|2,0,1]=4 295 B11R0.4 CC#CC(=O)CCOCCCC 1458a_100000763181_100000743108 [1,0,0,0,0,0|2,0,1]=4 296 B11R0.4 CC#CCCOCC(=O)OCC 34a_100000750427_100000188475 [1,0,0,0,0,0|1,0,2]=4 297 B11R0.4 CC#CCNCCC(=O)OCC 2230a_100000685387_100011206558 [1,0,0,0,0,0|1,0,2]=4 298 B11R0.4 CC#CCNCCC(=O)OCC 34a_100000685387_100000765890 [1,0,0,0,0,0|1,0,2]=4 299 B11R0.4 CC#CCOCCC(=O)OCC 34a_100000761923_100000765890 [1,0,0,0,0,0|1,0,2]=4 300 B11R0.4 CC#CCSCCC(=O)OCC 62a_100000748600_100000765890 [1,0,0,0,0,0|1,0,2]=4 301 B11R0.4 CC#CCSCCC(=O)OCC 62a_100000765890_100000748600 [1,0,0,0,0,0|1,0,2]=4 302 B11R0.4 CC/C=C\COCC(=O)OCC 34a_100016268518_100000188475 [1,0,0,0,0,0|1,0,2]=4 303 B11R0.4 CC/C=C\CSCC(=O)OCC 62a_100000188475_100103147603 [1,0,0,0,0,0|1,0,2]=4 304 B11R0.4 CC/C=C\CSCC(=O)OCC 62a_100103147603_100000188475 [1,0,0,0,0,0|1,0,2]=4 305 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [1,0,0,0,0,0|1,0,1]=3 306 B11R0.4 CC=CC(=O)CCCCCCF 1458a_100000210699_100015922095 [1,0,0,0,0,0|2,0,1]=4 307 B11R0.4 CC=CC(=O)CCCCCCO 1458a_100000210699_100000766143 [1,0,0,0,0,0|2,0,1]=4 308 B11R0.4 CC=CC(=O)CCOCCCC 1458a_100000210699_100000743108 [1,0,0,0,0,0|2,0,1]=4 309 B11R0.4 CC=CC(=O)NCCCCCC 11a_100000210581_100000210699 [1,0,0,0,0,0|2,0,1]=4 310 B11R0.4 CC=CC(=O)NCCCCCC 1626a_100000210581_100000210699 [1,0,0,0,0,0|2,0,1]=4 311 B11R0.4 CC=CC(=O)NCCCCCC 240690a_100000210581_100000210699 [1,0,0,0,0,0|2,0,1]=4 312 B11R0.4 CC=CCSCCC(=O)OCC 62a_100000070051_100000765890 [1,0,0,0,0,0|1,0,2]=4 313 B11R0.4 CC=CCSCCC(=O)OCC 62a_100000765890_100000070051 [1,0,0,0,0,0|1,0,2]=4 314 B11R0.4 CCC#CCOCC(=O)OCC 34a_100000032950_100000188475 [1,0,0,0,0,0|1,0,2]=4 315 B11R0.4 CCC#CCSCC(=O)OCC 62a_100000188475_100009813939 [1,0,0,0,0,0|1,0,2]=4 316 B11R0.4 CCC#CCSCC(=O)OCC 62a_100009813939_100000188475 [1,0,0,0,0,0|1,0,2]=4 317 B11R0.4 CCCC(=O)CCCCCC#N 1458a_100000211992_100009813376 [1,0,0,0,0,0|2,0,1]=4 318 B11R0.4 CCCC(=O)CCCCCCF 1458a_100000211992_100015922095 [1,0,0,0,0,0|2,0,0]=3 319 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [1,0,0,0,0,0|2,0,0]=3 320 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [1,0,0,0,0,0|2,0,0]=3 321 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [1,0,0,0,0,0|2,0,0]=3 322 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000211992_100000695917 [1,0,0,0,0,0|3,0,0]=4 323 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000745395_100000210303 [1,0,0,0,0,0|3,0,0]=4 324 B11R0.4 CCCC(=O)CNCCCCO 2230a_100000750430_100000747444 [1,0,0,0,0,0|3,0,0]=4 325 B11R0.4 CCCC(=O)CNCCCSC 2230a_100000749238_100000747444 [1,0,0,0,0,0|3,0,0]=4 326 B11R0.4 CCCC(=O)CNCCOCC 2230a_102516460346_100000747444 [1,0,0,0,0,0|3,0,0]=4 327 B11R0.4 CCCC(=O)CNCCSCC 2230a_100000106463_100000747444 [1,0,0,0,0,0|3,0,0]=4 328 B11R0.4 CCCC(=O)COCCCCCl 7a_100000210776_100000747444 [1,0,0,0,0,0|3,0,0]=4 329 B11R0.4 CCCC(=O)COCCCCF 7a_100011995726_100000747444 [1,0,0,0,0,0|3,0,0]=4 330 B11R0.4 CCCC(=O)COCCCSC 7a_100000690336_100000747444 [1,0,0,0,0,0|3,0,0]=4 331 B11R0.4 CCCC(=O)COCCOCC 7a_100000210136_100000747444 [1,0,0,0,0,0|3,0,0]=4 332 B11R0.4 CCCC(=O)COCCSCC 7a_100000212035_100000747444 [1,0,0,0,0,0|3,0,0]=4 333 B11R0.4 CCCC(=O)CSCCCCF 62a_100000729493_100000747444 [1,0,0,0,0,0|3,0,0]=4 334 B11R0.4 CCCC(=O)CSCCCCF 62a_100000747444_100000729493 [1,0,0,0,0,0|3,0,0]=4 335 B11R0.4 CCCC(=O)CSCCCCO 62a_100000210776_100000747444 [1,0,0,0,0,0|3,0,0]=4 336 B11R0.4 CCCC(=O)CSCCCCO 62a_100000747444_100000210776 [1,0,0,0,0,0|3,0,0]=4 337 B11R0.4 CCCC(=O)CSCCCOC 62a_100000709357_100000747444 [1,0,0,0,0,0|3,0,0]=4 338 B11R0.4 CCCC(=O)CSCCCOC 62a_100000747444_100000709357 [1,0,0,0,0,0|3,0,0]=4 339 B11R0.4 CCCC(=O)CSCCOCC 62a_100000210147_100000747444 [1,0,0,0,0,0|3,0,0]=4 340 B11R0.4 CCCC(=O)CSCCOCC 62a_100000747444_100011215890 [1,0,0,0,0,0|3,0,0]=4 341 B11R0.4 CCCC(=O)CSCCSCC 62a_100000747444_100000757381 [1,0,0,0,0,0|3,0,0]=4 342 B11R0.4 CCCC(=O)CSCCSCC 62a_100000757381_100000747444 [1,0,0,0,0,0|3,0,0]=4 343 B11R0.4 CCCC(=O)NCCCCCO 240690a_100000762737_100000211992 [1,0,0,0,0,0|3,0,0]=4 344 B11R0.4 CCCC(=O)NCCCOCC 11a_100000210961_100000211992 [1,0,0,0,0,0|3,0,0]=4 345 B11R0.4 CCCC(=O)NCCCOCC 1626a_100000210961_100000211992 [1,0,0,0,0,0|3,0,0]=4 346 B11R0.4 CCCC(=O)NCCCOCC 240690a_100000210961_100000211992 [1,0,0,0,0,0|3,0,0]=4 347 B11R0.4 CCCC(=O)NCCCOCC 527a_100000210961_100000211992 [1,0,0,0,0,0|3,0,0]=4 348 B11R0.4 CCCC/C=C/CC(=O)CCC 1458a_200016282684_100000210303 [1,0,0,0,0,0|1,0,2]=4 349 B11R0.4 CCCC/C=C/CC(=O)NCC 11a_100015525214_200016282684 [1,0,0,0,0,0|1,0,2]=4 350 B11R0.4 CCCC/C=C/CC(=O)NCC 240690a_100015525214_200016282684 [1,0,0,0,0,0|1,0,2]=4 351 B11R0.4 CCCC/C=C/CC(=O)NCC 527a_100015525214_200016282684 [1,0,0,0,0,0|1,0,2]=4 352 B11R0.4 CCCCCC#CC(=O)CCC 1458a_100011215388_100000210303 [1,0,0,0,0,0|1,0,2]=4 353 B11R0.4 CCCCCC#CC(=O)NCC 240690a_100015525214_100011215388 [1,0,0,0,0,0|1,0,2]=4 354 B11R0.4 CCCCCC=CC(=O)CCC 1458a_100016263427_100000210303 [1,0,0,0,0,0|1,0,2]=4 355 B11R0.4 CCCCCC=CC(=O)NCC 11a_100015525214_100016263427 [1,0,0,0,0,0|1,0,2]=4 356 B11R0.4 CCCCCC=CC(=O)NCC 240690a_100015525214_100016263427 [1,0,0,0,0,0|1,0,2]=4 357 B11R0.4 CCCCCCCC(=O)C=CBr 1458a_100016273825_100000210614 [1,0,0,0,0,0|2,0,1]=4 358 B11R0.4 CCCCCCCC(=O)C=CCl 1458a_200016279998_100000210614 [1,0,0,0,0,0|2,0,1]=4 359 B11R0.4 CCCCCCCC(=O)C=CI 1458a_100016256311_100000210614 [1,0,0,0,0,0|2,0,1]=4 360 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100000211969_100011214920 [1,0,0,0,0,0|2,0,1]=4 361 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100051588842_100000210614 [1,0,0,0,0,0|2,0,1]=4 362 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [1,0,0,0,0,0|1,0,0]=2 363 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [1,0,0,0,0,0|1,0,0]=2 364 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [1,0,0,0,0,0|2,0,0]=3 365 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [1,0,0,0,0,0|2,0,0]=3 366 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [1,0,0,0,0,0|2,0,0]=3 367 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [1,0,0,0,0,0|2,0,0]=3 368 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [1,0,0,0,0,0|2,0,0]=3 369 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [1,0,0,0,0,0|1,0,0]=2 370 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [1,0,0,0,0,0|1,0,0]=2 371 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [1,0,0,0,0,0|1,0,0]=2 372 B11R0.4 CCCCCCCC(=O)NNC 22a_100016993582_100000211969 [1,0,0,0,0,0|2,0,0]=3 373 B11R0.4 CCCCCCCC(C)NCC 2230a_100015525214_200011218727 [1,0,0,0,0,0|2,0,1]=4 374 B11R0.4 CCCCCCCC(C)NCC 270004a_100015525214_100000210596 [1,0,0,0,0,0|2,0,1]=4 375 B11R0.4 CCCCCCCC(C)OCC 34a_100121572206_200011218727 [1,0,0,0,0,0|1,0,1]=3 376 B11R0.4 CCCCCCCC(C)OCC 34a_200011215852_100000210202 [1,0,0,0,0,0|1,0,1]=3 377 B11R0.4 CCCCCCCC(C)OCC 7a_200011215852_100000210202 [1,0,0,0,0,0|1,0,1]=3 378 B11R0.4 CCCCCCCC(C)OCF 34a_200011215852_100015361967 [1,0,0,0,0,0|2,0,1]=4 379 B11R0.4 CCCCCCCC(C)OCF 7a_200011215852_100015361967 [1,0,0,0,0,0|2,0,1]=4 380 B11R0.4 CCCCCCCC(C)SCC 62a_100000210202_200011218727 [1,0,0,0,0,0|1,1,1]=4 381 B11R0.4 CCCCCCCC(C)SCC 62a_200011218727_100000210202 [1,0,0,0,0,0|1,1,1]=4 382 B11R0.4 CCCCCCCN(C)CCC 2230a_100000228206_100000210303 [1,0,0,0,0,0|3,0,0]=4 383 B11R0.4 CCCCCCCN(C)CCC 2230a_100000747261_100000210681 [1,0,0,0,0,0|3,0,0]=4 384 B11R0.4 CCCCCCCN(C)CCC 269982a_100000228206_100000210303 [1,0,0,0,0,0|3,0,0]=4 385 B11R0.4 CCCCCCCN(C)CCC 269982a_100000747261_100000210681 [1,0,0,0,0,0|3,0,0]=4 386 B11R0.4 CCCCCCNC(=O)CCC 11a_100000210581_100000211992 [1,0,0,0,0,0|2,0,0]=3 387 B11R0.4 CCCCCCNC(=O)CCC 1626a_100000210581_100000211992 [1,0,0,0,0,0|2,0,0]=3 388 B11R0.4 CCCCCCNC(=O)CCC 240690a_100000210581_100000211992 [1,0,0,0,0,0|2,0,0]=3 389 B11R0.4 CCCCCCNC(=O)CCC 527a_100000210581_100000211992 [1,0,0,0,0,0|2,0,0]=3 390 B11R0.4 CCCCCCNC(=O)CCO 240690a_100000210581_100011216618 [1,0,0,0,0,0|3,0,0]=4 391 B11R0.4 CCCCCCNC(=O)CNC 2230a_106832991635_100000230325 [1,0,0,0,0,0|3,0,0]=4 392 B11R0.4 CCCCCCNC(=O)CNC 34a_100102657272_100000230325 [1,0,0,0,0,0|3,0,0]=4 393 B11R0.4 CCCCCCNC(=O)CNC 7a_106832991635_100000230325 [1,0,0,0,0,0|3,0,0]=4 394 B11R0.4 CCCCCCNC(=O)COC 11a_100000210581_100000210968 [1,0,0,0,0,0|3,0,0]=4 395 B11R0.4 CCCCCCNC(=O)COC 1626a_100000210581_100000210968 [1,0,0,0,0,0|3,0,0]=4 396 B11R0.4 CCCCCCNC(=O)COC 240690a_100000210581_100000210968 [1,0,0,0,0,0|3,0,0]=4 397 B11R0.4 CCCCCCNC(=O)COC 34a_100138415774_100000230325 [1,0,0,0,0,0|3,0,0]=4 398 B11R0.4 CCCCCCNC(=O)COC 527a_100000210581_100000210968 [1,0,0,0,0,0|3,0,0]=4 399 B11R0.4 CCCCCCNC(=O)CSC 11a_100000210581_100000184570 [1,0,0,0,0,0|3,0,0]=4 400 B11R0.4 CCCCCCNC(=O)CSC 1626a_100000210581_100000184570 [1,0,0,0,0,0|3,0,0]=4 401 B11R0.4 CCCCCCNC(=O)CSC 240690a_100000210581_100000184570 [1,0,0,0,0,0|3,0,0]=4 402 B11R0.4 CCCCCCNC(=O)CSC 527a_100000210581_100000184570 [1,0,0,0,0,0|3,0,0]=4 403 B11R0.4 CCCCCCNC(=O)CSC 62a_100000230325_200000210301 [1,0,0,0,0,0|3,0,0]=4 404 B11R0.4 CCCCCCNC(=O)CS[13CH3] 62a_100000230325_200025704644 [1,0,0,0,0,0|3,0,0]=4 405 B11R0.4 CCCCCCNC(=O)NCC 2708a_100000210581_100015525214 [1,0,0,0,0,0|2,0,0]=3 406 B11R0.4 CCCCCCNC(=O)NCC 2708a_100015525214_100000210581 [1,0,0,0,0,0|2,0,0]=3 407 B11R0.4 CCCCCCNC(=O)NCC 273464a_100000210581_100015525214 [1,0,0,0,0,0|2,0,0]=3 408 B11R0.4 CCCCCCNC(=O)NCC 273464a_100015525214_100000210581 [1,0,0,0,0,0|2,0,0]=3 409 B11R0.4 CCCCCCNC(=O)NCC 512a_100000210581_100015525214 [1,0,0,0,0,0|2,0,0]=3 410 B11R0.4 CCCCCCNC(=O)NCC 512a_100015525214_100000210581 [1,0,0,0,0,0|2,0,0]=3 411 B11R0.4 CCCCCCNC(=O)NNC 273464a_100000210581_100016993582 [1,0,0,0,0,0|3,0,0]=4 412 B11R0.4 CCCCCCNC(=O)NNC 512a_100000210581_100016993582 [1,0,0,0,0,0|3,0,0]=4 413 B11R0.4 CCCCCCNC(=O)NNC 512a_100016993582_100000210581 [1,0,0,0,0,0|3,0,0]=4 414 B11R0.4 CCCCCNCC(=O)CCC 2230a_100000209983_100000747444 [1,0,0,0,0,0|2,0,0]=3 415 B11R0.4 CCCCCNCC(=O)NCC 2230a_100000209983_100000183381 [1,0,0,0,0,0|2,0,0]=3 416 B11R0.4 CCCCCNCC(=O)NCC 2230a_100016988866_100000210326 [1,0,0,0,0,0|2,0,0]=3 417 B11R0.4 CCCCCNCC(=O)NCO 2230a_100000209983_100000185155 [1,0,0,0,0,0|3,0,0]=4 418 B11R0.4 CCCCCNCC(=O)OCC 2230a_100000209983_100000188475 [1,0,0,0,0,0|1,0,0]=2 419 B11R0.4 CCCCCNNC(=O)CCC 22a_100000694160_100000211992 [1,0,0,0,0,0|3,0,0]=4 420 B11R0.4 CCCCCNNC(=O)NCC 273464a_100015525214_100000694160 [1,0,0,0,0,0|3,0,0]=4 421 B11R0.4 CCCCCNNC(=O)NCC 512a_100000694160_100015525214 [1,0,0,0,0,0|3,0,0]=4 422 B11R0.4 CCCCCNNC(=O)NCC 512a_100015525214_100000694160 [1,0,0,0,0,0|3,0,0]=4 423 B11R0.4 CCCCCOCC(=O)CCC 7a_100000210253_100000747444 [1,0,0,0,0,0|2,0,0]=3 424 B11R0.4 CCCCCOCC(=O)NCC 34a_100000210253_100000183381 [1,0,0,0,0,0|2,0,0]=3 425 B11R0.4 CCCCCOCC(=O)NCC 7a_100000210253_100000183381 [1,0,0,0,0,0|2,0,0]=3 426 B11R0.4 CCCCCOCC(=O)NCO 34a_100000210253_100000185155 [1,0,0,0,0,0|3,0,0]=4 427 B11R0.4 CCCCCOCC(=O)NCO 7a_100000210253_100000185155 [1,0,0,0,0,0|3,0,0]=4 428 B11R0.4 CCCCCOCC(=O)OCC 34a_100000210253_100000188475 [1,0,0,0,0,0|1,0,0]=2 429 B11R0.4 CCCCCOCC(=O)OCC 7a_100000210253_100000188475 [1,0,0,0,0,0|1,0,0]=2 430 B11R0.4 CCCCCSCC(=O)CCC 62a_100000210326_100000747444 [1,0,0,0,0,0|2,0,0]=3 431 B11R0.4 CCCCCSCC(=O)CCC 62a_100000747444_100000210326 [1,0,0,0,0,0|2,0,0]=3 432 B11R0.4 CCCCCSCC(=O)NCC 62a_100000183381_100000210326 [1,0,0,0,0,0|2,0,0]=3 433 B11R0.4 CCCCCSCC(=O)NCC 62a_100000210326_100000183381 [1,0,0,0,0,0|2,0,0]=3 434 B11R0.4 CCCCCSCC(=O)NCO 62a_100000185155_100000210326 [1,0,0,0,0,0|3,0,0]=4 435 B11R0.4 CCCCCSCC(=O)NCO 62a_100000210326_100000185155 [1,0,0,0,0,0|3,0,0]=4 436 B11R0.4 CCCCCSCC(=O)OCC 62a_100000188475_100000210326 [1,0,0,0,0,0|1,0,0]=2 437 B11R0.4 CCCCCSCC(=O)OCC 62a_100000210326_100000188475 [1,0,0,0,0,0|1,0,0]=2 438 B11R0.4 CCCCNCCC(=O)NCC 2230a_100000102301_100000737597 [1,0,0,0,0,0|2,0,0]=3 439 B11R0.4 CCCCNCCC(=O)NCC 34a_100025743525_100000210210 [1,0,0,0,0,0|2,0,0]=3 440 B11R0.4 CCCCNCCC(=O)NCC 7a_106832991798_100000737597 [1,0,0,0,0,0|2,0,0]=3 441 B11R0.4 CCCCNCCC(=O)OCC 2230a_100000102301_100011206558 [1,0,0,0,0,0|1,0,0]=2 442 B11R0.4 CCCCNCCC(=O)OCC 7a_106832991798_100011206558 [1,0,0,0,0,0|1,0,0]=2 443 B11R0.4 CCCCNCOC(=O)CCC 2230a_100000102301_100000034017 [1,0,0,0,0,0|3,0,0]=4 444 B11R0.4 CCCCNN=CC(=O)OCC 4a_100025702795_100000742314 [1,0,0,0,0,0|2,0,1]=4 445 B11R0.4 CCCCOCCC(=O)CCC 1458a_100000211992_100000743108 [1,0,0,0,0,0|2,0,0]=3 446 B11R0.4 CCCCOCCC(=O)CCO 1458a_100011216618_100000743108 [1,0,0,0,0,0|3,0,0]=4 447 B11R0.4 CCCCOCCC(=O)COC 1458a_100000210968_100000743108 [1,0,0,0,0,0|3,0,0]=4 448 B11R0.4 CCCCOCCC(=O)CSC 1458a_100000184570_100000743108 [1,0,0,0,0,0|3,0,0]=4 449 B11R0.4 CCCCOCCC(=O)NCC 7a_100000210227_100000737597 [1,0,0,0,0,0|2,0,0]=3 450 B11R0.4 CCCCOCCC(=O)OCC 34a_100000210227_100000765890 [1,0,0,0,0,0|1,0,0]=2 451 B11R0.4 CCCCOCCC(=O)OCC 7a_100000210227_100011206558 [1,0,0,0,0,0|1,0,0]=2 452 B11R0.4 CCCCOCOC(=O)CCC 34a_100000210227_100000034017 [1,0,0,0,0,0|3,0,0]=4 453 B11R0.4 CCCCSCCC(=O)NCC 62a_100000210211_100000737597 [1,0,0,0,0,0|2,0,0]=3 454 B11R0.4 CCCCSCCC(=O)NCC 62a_100000737597_100000210210 [1,0,0,0,0,0|2,0,0]=3 455 B11R0.4 CCCCSCCC(=O)OCC 62a_100000210211_100000765890 [1,0,0,0,0,0|1,0,0]=2 456 B11R0.4 CCCCSCCC(=O)OCC 62a_100000765890_100000210210 [1,0,0,0,0,0|1,0,0]=2 457 B11R0.4 CCCCSCOC(=O)CCC 62a_100000210211_100000034017 [1,0,0,0,0,0|3,0,0]=4 458 B11R0.4 CCCCSCOC(=O)OCC 62a_100000210211_100000075025 [1,0,0,0,0,0|2,0,0]=3 459 B11R0.4 CCCOC/C=C/C(=O)OCC 34a_100000210258_100016267167 [1,0,0,0,0,0|1,0,2]=4 460 B11R0.4 CCCOCCCC(=O)OCC 34a_100000210258_100009991533 [1,0,0,0,0,0|1,0,0]=2 461 B11R0.4 CCCOCCCC(=O)OCC 7a_100012001163_100000210303 [1,0,0,0,0,0|1,0,0]=2 462 B11R0.4 CCCOCCNC(=O)CCC 1626a_100161115042_100000211992 [1,0,0,0,0,0|3,0,0]=4 463 B11R0.4 CCCOCCNC(=O)CCC 240690a_100161115042_100000211992 [1,0,0,0,0,0|3,0,0]=4 464 B11R0.4 CCCOCCNC(=O)CCC 527a_100161115042_100000211992 [1,0,0,0,0,0|3,0,0]=4 465 B11R0.4 CCCOCCNC(=O)NCC 2708a_100015525214_100161115042 [1,0,0,0,0,0|3,0,0]=4 466 B11R0.4 CCCOCCNC(=O)NCC 2708a_100161115042_100015525214 [1,0,0,0,0,0|3,0,0]=4 467 B11R0.4 CCCOCCNC(=O)NCC 273464a_100015525214_100161115042 [1,0,0,0,0,0|3,0,0]=4 468 B11R0.4 CCCOCCNC(=O)NCC 273464a_100161115042_100015525214 [1,0,0,0,0,0|3,0,0]=4 469 B11R0.4 CCCOCCNC(=O)NCC 512a_100015525214_100161115042 [1,0,0,0,0,0|3,0,0]=4 470 B11R0.4 CCCOCCNC(=O)NCC 512a_100161115042_100015525214 [1,0,0,0,0,0|3,0,0]=4 471 B11R0.4 CCCOCCNC(=O)OCC 34a_100000158857_100000210303 [1,0,0,0,0,0|2,0,0]=3 472 B11R0.4 CCCSC/C=C/C(=O)OCC 62a_100000210303_100016267167 [1,0,0,0,0,0|1,0,2]=4 473 B11R0.4 CCCSC/C=C/C(=O)OCC 62a_100016267167_100000210303 [1,0,0,0,0,0|1,0,2]=4 474 B11R0.4 CCCSCCCC(=O)OCC 62a_100000210303_100009991533 [1,0,0,0,0,0|1,0,0]=2 475 B11R0.4 CCCSCCCC(=O)OCC 62a_100009991533_100000210303 [1,0,0,0,0,0|1,0,0]=2 476 B11R0.4 CCCSCCNC(=O)CCC 11a_100020603323_100000211992 [1,0,0,0,0,0|3,0,0]=4 477 B11R0.4 CCCSCCNC(=O)CCC 240690a_100020603323_100000211992 [1,0,0,0,0,0|3,0,0]=4 478 B11R0.4 CCCSCCNC(=O)CCC 527a_100020603323_100000211992 [1,0,0,0,0,0|3,0,0]=4 479 B11R0.4 CCCSCCNC(=O)NCC 2708a_100015525214_100020603323 [1,0,0,0,0,0|3,0,0]=4 480 B11R0.4 CCCSCCNC(=O)NCC 2708a_100020603323_100015525214 [1,0,0,0,0,0|3,0,0]=4 481 B11R0.4 CCCSCCNC(=O)NCC 273464a_100015525214_100020603323 [1,0,0,0,0,0|3,0,0]=4 482 B11R0.4 CCCSCCNC(=O)NCC 273464a_100020603323_100015525214 [1,0,0,0,0,0|3,0,0]=4 483 B11R0.4 CCCSCCNC(=O)NCC 512a_100015525214_100020603323 [1,0,0,0,0,0|3,0,0]=4 484 B11R0.4 CCCSCCNC(=O)NCC 512a_100020603323_100015525214 [1,0,0,0,0,0|3,0,0]=4 485 B11R0.4 CCCSCCNC(=O)OCC 62a_100000210303_200011445536 [1,0,0,0,0,0|2,0,0]=3 486 B11R0.4 CCNC(=O)CCCCCCO 240690a_100015525214_100011996774 [1,0,0,0,0,0|2,0,0]=3 487 B11R0.4 CCNC(=O)CCCCCOC 11a_100015525214_100011935119 [1,0,0,0,0,0|2,0,0]=3 488 B11R0.4 CCNC(=O)CCCCCOC 240690a_100015525214_100011935119 [1,0,0,0,0,0|2,0,0]=3 489 B11R0.4 CCNC(=O)CCCCCOC 527a_100015525214_100011935119 [1,0,0,0,0,0|2,0,0]=3 490 B11R0.4 CCNC(=O)CCNCCCF 2230a_100015189416_100000737597 [1,0,0,0,0,0|3,0,0]=4 491 B11R0.4 CCNC(=O)CCNCCCF 34a_100025743525_100011934791 [1,0,0,0,0,0|3,0,0]=4 492 B11R0.4 CCNC(=O)CCNCCCO 34a_100025743525_100000230001 [1,0,0,0,0,0|3,0,0]=4 493 B11R0.4 CCNC(=O)CCNCCOC 2230a_100000209980_100000737597 [1,0,0,0,0,0|3,0,0]=4 494 B11R0.4 CCNC(=O)CCNCCOC 34a_100025743525_100011201679 [1,0,0,0,0,0|3,0,0]=4 495 B11R0.4 CCNC(=O)CCNCCSC 2230a_100020590264_100000737597 [1,0,0,0,0,0|3,0,0]=4 496 B11R0.4 CCNC(=O)CCNCCSC 34a_100025743525_100000212216 [1,0,0,0,0,0|3,0,0]=4 497 B11R0.4 CCNC(=O)CCOCCOC 11a_100015525214_100000745395 [1,0,0,0,0,0|3,0,0]=4 498 B11R0.4 CCNC(=O)CCOCCOC 240690a_100015525214_100000745395 [1,0,0,0,0,0|3,0,0]=4 499 B11R0.4 CCNC(=O)CCOCCOC 527a_100015525214_100000745395 [1,0,0,0,0,0|3,0,0]=4 500 B11R0.4 CCNC(=O)CCOCCSC 7a_100000230434_100000737597 [1,0,0,0,0,0|3,0,0]=4 501 B11R0.4 CCNC(=O)CCSCCCF 62a_100000737597_100011934791 [1,0,0,0,0,0|3,0,0]=4 502 B11R0.4 CCNC(=O)CCSCCCF 62a_100011934791_100000737597 [1,0,0,0,0,0|3,0,0]=4 503 B11R0.4 CCNC(=O)CCSCCCO 62a_100000737597_100011215043 [1,0,0,0,0,0|3,0,0]=4 504 B11R0.4 CCNC(=O)CCSCCCO 62a_100011215043_100000737597 [1,0,0,0,0,0|3,0,0]=4 505 B11R0.4 CCNC(=O)CCSCCOC 62a_100000233755_100000737597 [1,0,0,0,0,0|3,0,0]=4 506 B11R0.4 CCNC(=O)CCSCCOC 62a_100000737597_100000233755 [1,0,0,0,0,0|3,0,0]=4 507 B11R0.4 CCNC(=O)CCSCCSC 62a_100000212216_100000737597 [1,0,0,0,0,0|3,0,0]=4 508 B11R0.4 CCNC(=O)CCSCCSC 62a_100000737597_100000751147 [1,0,0,0,0,0|3,0,0]=4 509 B11R0.4 CCNC(=O)CCSCOCC 62a_100000737597_100000739092 [1,0,0,0,0,0|3,0,0]=4 510 B11R0.4 CCNC(=O)CCSCOCC 62a_100000739092_100000737597 [1,0,0,0,0,0|3,0,0]=4 511 B11R0.4 CCNC(=O)CNCCCCF 2230a_100016988866_100000729493 [1,0,0,0,0,0|3,0,0]=4 512 B11R0.4 CCNC(=O)CNCCCCO 2230a_100000750430_100000183381 [1,0,0,0,0,0|3,0,0]=4 513 B11R0.4 CCNC(=O)CNCCCCO 2230a_100016988866_100000210776 [1,0,0,0,0,0|3,0,0]=4 514 B11R0.4 CCNC(=O)CNCCCCO 34a_100000750430_100000183381 [1,0,0,0,0,0|3,0,0]=4 515 B11R0.4 CCNC(=O)CNCCCOC 2230a_100016988866_100000740836 [1,0,0,0,0,0|3,0,0]=4 516 B11R0.4 CCNC(=O)CNCCCOC 34a_100150723488_100000183381 [1,0,0,0,0,0|3,0,0]=4 517 B11R0.4 CCNC(=O)CNCCCSC 2230a_100000749238_100000183381 [1,0,0,0,0,0|3,0,0]=4 518 B11R0.4 CCNC(=O)CNCCOCC 2230a_100016988866_100011215890 [1,0,0,0,0,0|3,0,0]=4 519 B11R0.4 CCNC(=O)CNCCOCC 2230a_102516460346_100000183381 [1,0,0,0,0,0|3,0,0]=4 520 B11R0.4 CCNC(=O)CNCCOCC 34a_102516460346_100000183381 [1,0,0,0,0,0|3,0,0]=4 521 B11R0.4 CCNC(=O)CNCCSCC 2230a_100000106463_100000183381 [1,0,0,0,0,0|3,0,0]=4 522 B11R0.4 CCNC(=O)CNCCSCC 2230a_100016988866_100000757381 [1,0,0,0,0,0|3,0,0]=4 523 B11R0.4 CCNC(=O)COCCCCBr 34a_100011216708_100000183381 [1,0,0,0,0,0|3,0,0]=4 524 B11R0.4 CCNC(=O)COCCCCCl 34a_100000210776_100000183381 [1,0,0,0,0,0|3,0,0]=4 525 B11R0.4 CCNC(=O)COCCCCCl 7a_100000210776_100000183381 [1,0,0,0,0,0|3,0,0]=4 526 B11R0.4 CCNC(=O)COCCCCF 34a_100011995726_100000183381 [1,0,0,0,0,0|3,0,0]=4 527 B11R0.4 CCNC(=O)COCCCCF 7a_100011995726_100000183381 [1,0,0,0,0,0|3,0,0]=4 528 B11R0.4 CCNC(=O)COCCCCI 34a_200012148704_100000183381 [1,0,0,0,0,0|3,0,0]=4 529 B11R0.4 CCNC(=O)COCCCCN 34a_100000750430_100000183381 [1,0,0,0,0,0|3,0,0]=4 530 B11R0.4 CCNC(=O)COCCCNC 34a_100000213112_100000183381 [1,0,0,0,0,0|3,0,0]=4 531 B11R0.4 CCNC(=O)COCCCOC 34a_100000740835_100000183381 [1,0,0,0,0,0|3,0,0]=4 532 B11R0.4 CCNC(=O)COCCCSC 34a_100000690336_100000183381 [1,0,0,0,0,0|3,0,0]=4 533 B11R0.4 CCNC(=O)COCCCSC 7a_100000690336_100000183381 [1,0,0,0,0,0|3,0,0]=4 534 B11R0.4 CCNC(=O)COCCOCC 34a_100000210136_100000183381 [1,0,0,0,0,0|3,0,0]=4 535 B11R0.4 CCNC(=O)COCCOCC 7a_100000210136_100000183381 [1,0,0,0,0,0|3,0,0]=4 536 B11R0.4 CCNC(=O)COCCSCC 34a_100000212035_100000183381 [1,0,0,0,0,0|3,0,0]=4 537 B11R0.4 CCNC(=O)COCCSCC 7a_100000212035_100000183381 [1,0,0,0,0,0|3,0,0]=4 538 B11R0.4 CCNC(=O)CSCCCCF 62a_100000183381_100000729493 [1,0,0,0,0,0|3,0,0]=4 539 B11R0.4 CCNC(=O)CSCCCCF 62a_100000729493_100000183381 [1,0,0,0,0,0|3,0,0]=4 540 B11R0.4 CCNC(=O)CSCCCCO 62a_100000183381_100000210776 [1,0,0,0,0,0|3,0,0]=4 541 B11R0.4 CCNC(=O)CSCCCCO 62a_100000210776_100000183381 [1,0,0,0,0,0|3,0,0]=4 542 B11R0.4 CCNC(=O)CSCCCOC 62a_100000183381_100000709357 [1,0,0,0,0,0|3,0,0]=4 543 B11R0.4 CCNC(=O)CSCCCOC 62a_100000709357_100000183381 [1,0,0,0,0,0|3,0,0]=4 544 B11R0.4 CCNC(=O)CSCCOCC 62a_100000183381_100011215890 [1,0,0,0,0,0|3,0,0]=4 545 B11R0.4 CCNC(=O)CSCCOCC 62a_100000210147_100000183381 [1,0,0,0,0,0|3,0,0]=4 546 B11R0.4 CCNC(=O)CSCCSCC 62a_100000183381_100000757381 [1,0,0,0,0,0|3,0,0]=4 547 B11R0.4 CCNC(=O)CSCCSCC 62a_100000757381_100000183381 [1,0,0,0,0,0|3,0,0]=4 548 B11R0.4 CCNC(=O)NCCCCCO 2708a_100015525214_100000762737 [1,0,0,0,0,0|3,0,0]=4 549 B11R0.4 CCNC(=O)NCCCCCO 273464a_100000762737_100015525214 [1,0,0,0,0,0|3,0,0]=4 550 B11R0.4 CCNC(=O)NCCCCCO 273464a_100015525214_100000762737 [1,0,0,0,0,0|3,0,0]=4 551 B11R0.4 CCNC(=O)NCCCCCO 512a_100000762737_100015525214 [1,0,0,0,0,0|3,0,0]=4 552 B11R0.4 CCNC(=O)NCCCCCO 512a_100015525214_100000762737 [1,0,0,0,0,0|3,0,0]=4 553 B11R0.4 CCNC(=O)NCCCOCC 2708a_100000210961_100015525214 [1,0,0,0,0,0|3,0,0]=4 554 B11R0.4 CCNC(=O)NCCCOCC 2708a_100015525214_100000210961 [1,0,0,0,0,0|3,0,0]=4 555 B11R0.4 CCNC(=O)NCCCOCC 273464a_100000210961_100015525214 [1,0,0,0,0,0|3,0,0]=4 556 B11R0.4 CCNC(=O)NCCCOCC 273464a_100015525214_100000210961 [1,0,0,0,0,0|3,0,0]=4 557 B11R0.4 CCNC(=O)NCCCOCC 512a_100000210961_100015525214 [1,0,0,0,0,0|3,0,0]=4 558 B11R0.4 CCNC(=O)NCCCOCC 512a_100015525214_100000210961 [1,0,0,0,0,0|3,0,0]=4 559 B11R0.4 CCNCCCCC(=O)OCC 2230a_100015525214_100000750268 [1,0,0,0,0,0|1,0,0]=2 560 B11R0.4 CCNCCOCC(=O)OCC 2230a_100015525214_100000088970 [1,0,0,0,0,0|2,0,0]=3 561 B11R0.4 CCOC(=O)CCCCCNC 2230a_106832991635_100000755133 [1,0,0,0,0,0|1,0,0]=2 562 B11R0.4 CCOC(=O)CCCCCNC 34a_100102657272_100000755133 [1,0,0,0,0,0|1,0,0]=2 563 B11R0.4 CCOC(=O)CCCCCNC 7a_106832991635_100000755133 [1,0,0,0,0,0|1,0,0]=2 564 B11R0.4 CCOC(=O)CCCCCOC 34a_100138415774_100000755133 [1,0,0,0,0,0|1,0,0]=2 565 B11R0.4 CCOC(=O)CCCCCOC 7a_100011214988_200000210301 [1,0,0,0,0,0|1,0,0]=2 566 B11R0.4 CCOC(=O)CCCCCO[13CH3] 7a_100011214988_200025704644 [1,0,0,0,0,0|1,0,0]=2 567 B11R0.4 CCOC(=O)CCCCCSC 62a_100000755133_200000210301 [1,0,0,0,0,0|1,0,0]=2 568 B11R0.4 CCOC(=O)CCCCCSC 62a_200000210301_100000755133 [1,0,0,0,0,0|1,0,0]=2 569 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_100000755133_200025704644 [1,0,0,0,0,0|1,0,0]=2 570 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_200025704644_100000755133 [1,0,0,0,0,0|1,0,0]=2 571 B11R0.4 CCOC(=O)CCCCSCC 62a_100000210202_100000750268 [1,0,0,0,0,0|1,0,0]=2 572 B11R0.4 CCOC(=O)CCCCSCC 62a_100000750268_100000210202 [1,0,0,0,0,0|1,0,0]=2 573 B11R0.4 CCOC(=O)CCCCSCF 62a_100000750268_100015361967 [1,0,0,0,0,0|2,0,0]=3 574 B11R0.4 CCOC(=O)CCCCSCF 62a_100015361967_100000750268 [1,0,0,0,0,0|2,0,0]=3 575 B11R0.4 CCOC(=O)CCCNCCF 34a_100000724931_100009991533 [1,0,0,0,0,0|2,0,0]=3 576 B11R0.4 CCOC(=O)CCCNCCO 2230a_100016997473_100009991533 [1,0,0,0,0,0|2,0,0]=3 577 B11R0.4 CCOC(=O)CCCNCCO 34a_100016990907_100009991533 [1,0,0,0,0,0|2,0,0]=3 578 B11R0.4 CCOC(=O)CCCOCC#N 7a_100012001163_100011215382 [1,0,0,0,0,0|2,0,1]=4 579 B11R0.4 CCOC(=O)CCCOCC=O 7a_100012001163_200015260668 [1,0,0,0,0,0|2,0,1]=4 580 B11R0.4 CCOC(=O)CCCOCCBr 34a_100000211926_100009991533 [1,0,0,0,0,0|2,0,0]=3 581 B11R0.4 CCOC(=O)CCCOCCF 7a_100012001163_100011217306 [1,0,0,0,0,0|2,0,0]=3 582 B11R0.4 CCOC(=O)CCCOCCN 34a_100000210304_100009991533 [1,0,0,0,0,0|2,0,0]=3 583 B11R0.4 CCOC(=O)CCCOCCO 7a_100012001163_100000211926 [1,0,0,0,0,0|2,0,0]=3 584 B11R0.4 CCOC(=O)CCCSCC#N 62a_100009991533_100011215382 [1,0,0,0,0,0|2,0,1]=4 585 B11R0.4 CCOC(=O)CCCSCC#N 62a_100011215382_100009991533 [1,0,0,0,0,0|2,0,1]=4 586 B11R0.4 CCOC(=O)CCCSCC=O 62a_100009991533_200015260668 [1,0,0,0,0,0|2,0,1]=4 587 B11R0.4 CCOC(=O)CCCSCC=O 62a_200015260668_100009991533 [1,0,0,0,0,0|2,0,1]=4 588 B11R0.4 CCOC(=O)CCCSCCF 62a_100009991533_100011217306 [1,0,0,0,0,0|2,0,0]=3 589 B11R0.4 CCOC(=O)CCCSCCF 62a_100011217306_100009991533 [1,0,0,0,0,0|2,0,0]=3 590 B11R0.4 CCOC(=O)CCCSCCO 62a_100000211926_100009991533 [1,0,0,0,0,0|2,0,0]=3 591 B11R0.4 CCOC(=O)CCCSCCO 62a_100009991533_100000211926 [1,0,0,0,0,0|2,0,0]=3 592 B11R0.4 CCOC(=O)CCCSCOC 62a_100000766300_100009991533 [1,0,0,0,0,0|2,0,0]=3 593 B11R0.4 CCOC(=O)CCCSCOC 62a_100009991533_100000766300 [1,0,0,0,0,0|2,0,0]=3 594 B11R0.4 CCOC(=O)CCCSCSC 62a_100009991533_100011218213 [1,0,0,0,0,0|2,0,0]=3 595 B11R0.4 CCOC(=O)CCCSCSC 62a_100011218213_100009991533 [1,0,0,0,0,0|2,0,0]=3 596 B11R0.4 CCOC(=O)CCNCCCF 2230a_100015189416_100011206558 [1,0,0,0,0,0|2,0,0]=3 597 B11R0.4 CCOC(=O)CCNCCCF 34a_100015189416_100000765890 [1,0,0,0,0,0|2,0,0]=3 598 B11R0.4 CCOC(=O)CCNCCOC 2230a_100000209980_100011206558 [1,0,0,0,0,0|2,0,0]=3 599 B11R0.4 CCOC(=O)CCNCCSC 2230a_100020590264_100011206558 [1,0,0,0,0,0|2,0,0]=3 600 B11R0.4 CCOC(=O)CCOCCCBr 34a_100011217188_100000765890 [1,0,0,0,0,0|2,0,0]=3 601 B11R0.4 CCOC(=O)CCOCCCCl 34a_100000230001_100000765890 [1,0,0,0,0,0|2,0,0]=3 602 B11R0.4 CCOC(=O)CCOCCCF 34a_100000759539_100000765890 [1,0,0,0,0,0|2,0,0]=3 603 B11R0.4 CCOC(=O)CCOCCCN 34a_100000182051_100000765890 [1,0,0,0,0,0|2,0,0]=3 604 B11R0.4 CCOC(=O)CCOCCOC 34a_100000210237_100000765890 [1,0,0,0,0,0|2,0,0]=3 605 B11R0.4 CCOC(=O)CCOCCON 34a_100000700252_100000765890 [1,0,0,0,0,0|3,0,0]=4 606 B11R0.4 CCOC(=O)CCOCCSC 34a_100000230434_100000765890 [1,0,0,0,0,0|2,0,0]=3 607 B11R0.4 CCOC(=O)CCOCCSC 7a_100000230434_100011206558 [1,0,0,0,0,0|2,0,0]=3 608 B11R0.4 CCOC(=O)CCSCCC#N 62a_100000765890_100011215226 [1,0,0,0,0,0|2,0,1]=4 609 B11R0.4 CCOC(=O)CCSCCC#N 62a_100011215226_100000765890 [1,0,0,0,0,0|2,0,1]=4 610 B11R0.4 CCOC(=O)CCSCCCF 62a_100000765890_100011934791 [1,0,0,0,0,0|2,0,0]=3 611 B11R0.4 CCOC(=O)CCSCCCF 62a_100011934791_100000765890 [1,0,0,0,0,0|2,0,0]=3 612 B11R0.4 CCOC(=O)CCSCCCO 62a_100000765890_100011215043 [1,0,0,0,0,0|2,0,0]=3 613 B11R0.4 CCOC(=O)CCSCCCO 62a_100011215043_100000765890 [1,0,0,0,0,0|2,0,0]=3 614 B11R0.4 CCOC(=O)CCSCCOC 62a_100000233755_100000765890 [1,0,0,0,0,0|2,0,0]=3 615 B11R0.4 CCOC(=O)CCSCCOC 62a_100000765890_100000233755 [1,0,0,0,0,0|2,0,0]=3 616 B11R0.4 CCOC(=O)CCSCCSC 62a_100000212216_100000765890 [1,0,0,0,0,0|2,0,0]=3 617 B11R0.4 CCOC(=O)CCSCCSC 62a_100000765890_100000751147 [1,0,0,0,0,0|2,0,0]=3 618 B11R0.4 CCOC(=O)CNCCCCO 2230a_100000750430_100000188475 [1,0,0,0,0,0|2,0,0]=3 619 B11R0.4 CCOC(=O)CNCCCCO 34a_100000750430_100000188475 [1,0,0,0,0,0|2,0,0]=3 620 B11R0.4 CCOC(=O)CNCCCOC 34a_100150723488_100000188475 [1,0,0,0,0,0|2,0,0]=3 621 B11R0.4 CCOC(=O)CNCCCSC 2230a_100000749238_100000188475 [1,0,0,0,0,0|2,0,0]=3 622 B11R0.4 CCOC(=O)CNCCSCC 2230a_100000106463_100000188475 [1,0,0,0,0,0|2,0,0]=3 623 B11R0.4 CCOC(=O)COCCCCBr 34a_100011216708_100000188475 [1,0,0,0,0,0|2,0,0]=3 624 B11R0.4 CCOC(=O)COCCCCCl 34a_100000210776_100000188475 [1,0,0,0,0,0|2,0,0]=3 625 B11R0.4 CCOC(=O)COCCCCCl 7a_100000210776_100000188475 [1,0,0,0,0,0|2,0,0]=3 626 B11R0.4 CCOC(=O)COCCCCF 34a_100011995726_100000188475 [1,0,0,0,0,0|2,0,0]=3 627 B11R0.4 CCOC(=O)COCCCCF 7a_100011995726_100000188475 [1,0,0,0,0,0|2,0,0]=3 628 B11R0.4 CCOC(=O)COCCCCI 34a_200012148704_100000188475 [1,0,0,0,0,0|2,0,0]=3 629 B11R0.4 CCOC(=O)COCCCCN 34a_100000750430_100000188475 [1,0,0,0,0,0|2,0,0]=3 630 B11R0.4 CCOC(=O)COCCCNC 2230a_106832991635_100009893628 [1,0,0,0,0,0|2,0,0]=3 631 B11R0.4 CCOC(=O)COCCCNC 34a_100000213112_100000188475 [1,0,0,0,0,0|2,0,0]=3 632 B11R0.4 CCOC(=O)COCCCNC 34a_100102657272_100009893628 [1,0,0,0,0,0|2,0,0]=3 633 B11R0.4 CCOC(=O)COCCCNC 7a_106832991635_100009893628 [1,0,0,0,0,0|2,0,0]=3 634 B11R0.4 CCOC(=O)COCCCOC 34a_100000740835_100000188475 [1,0,0,0,0,0|2,0,0]=3 635 B11R0.4 CCOC(=O)COCCCOC 34a_100138415774_100009893628 [1,0,0,0,0,0|2,0,0]=3 636 B11R0.4 CCOC(=O)COCCCSC 34a_100000690336_100000188475 [1,0,0,0,0,0|2,0,0]=3 637 B11R0.4 CCOC(=O)COCCCSC 62a_100009893628_200000210301 [1,0,0,0,0,0|2,0,0]=3 638 B11R0.4 CCOC(=O)COCCCSC 62a_200000210301_100009893628 [1,0,0,0,0,0|2,0,0]=3 639 B11R0.4 CCOC(=O)COCCCSC 7a_100000690336_100000188475 [1,0,0,0,0,0|2,0,0]=3 640 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_100009893628_200025704644 [1,0,0,0,0,0|2,0,0]=3 641 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_200025704644_100009893628 [1,0,0,0,0,0|2,0,0]=3 642 B11R0.4 CCOC(=O)COCCSCC 34a_100000212035_100000188475 [1,0,0,0,0,0|2,0,0]=3 643 B11R0.4 CCOC(=O)COCCSCC 62a_100000088970_100000210202 [1,0,0,0,0,0|2,0,0]=3 644 B11R0.4 CCOC(=O)COCCSCC 62a_100000210202_100000088970 [1,0,0,0,0,0|2,0,0]=3 645 B11R0.4 CCOC(=O)COCCSCC 7a_100000212035_100000188475 [1,0,0,0,0,0|2,0,0]=3 646 B11R0.4 CCOC(=O)COCCSCF 62a_100000088970_100015361967 [1,0,0,0,0,0|3,0,0]=4 647 B11R0.4 CCOC(=O)COCCSCF 62a_100015361967_100000088970 [1,0,0,0,0,0|3,0,0]=4 648 B11R0.4 CCOC(=O)CSCCCC#N 62a_100000188475_100000687738 [1,0,0,0,0,0|2,0,1]=4 649 B11R0.4 CCOC(=O)CSCCCC#N 62a_100000687738_100000188475 [1,0,0,0,0,0|2,0,1]=4 650 B11R0.4 CCOC(=O)CSCCCC=O 62a_100000188475_200011292268 [1,0,0,0,0,0|2,0,1]=4 651 B11R0.4 CCOC(=O)CSCCCC=O 62a_200011292268_100000188475 [1,0,0,0,0,0|2,0,1]=4 652 B11R0.4 CCOC(=O)CSCCCCF 62a_100000188475_100000729493 [1,0,0,0,0,0|2,0,0]=3 653 B11R0.4 CCOC(=O)CSCCCCF 62a_100000729493_100000188475 [1,0,0,0,0,0|2,0,0]=3 654 B11R0.4 CCOC(=O)CSCCCCO 62a_100000188475_100000210776 [1,0,0,0,0,0|2,0,0]=3 655 B11R0.4 CCOC(=O)CSCCCCO 62a_100000210776_100000188475 [1,0,0,0,0,0|2,0,0]=3 656 B11R0.4 CCOC(=O)CSCCCOC 62a_100000188475_100000709357 [1,0,0,0,0,0|2,0,0]=3 657 B11R0.4 CCOC(=O)CSCCCOC 62a_100000709357_100000188475 [1,0,0,0,0,0|2,0,0]=3 658 B11R0.4 CCOC(=O)CSCCOCF 7a_200000230590_100015361967 [1,0,0,0,0,0|3,0,0]=4 659 B11R0.4 CCOC(=O)CSCCSCC 62a_100000188475_100000757381 [1,0,0,0,0,0|2,0,0]=3 660 B11R0.4 CCOC(=O)CSCCSCC 62a_100000757381_100000188475 [1,0,0,0,0,0|2,0,0]=3 661 B11R0.4 CCOC(=O)NCCOCCF 34a_100000158857_100011217306 [1,0,0,0,0,0|3,0,0]=4 662 B11R0.4 CCOC(=O)NCCOCCO 34a_100000158857_100000211926 [1,0,0,0,0,0|3,0,0]=4 663 B11R0.4 CCOC(=O)NCCOCSC 34a_100000158857_100011218213 [1,0,0,0,0,0|3,0,0]=4 664 B11R0.4 CCOC(=O)NCCSCCF 62a_100011217306_200011445536 [1,0,0,0,0,0|3,0,0]=4 665 B11R0.4 CCOC(=O)NCCSCCO 62a_100000211926_200011445536 [1,0,0,0,0,0|3,0,0]=4 666 B11R0.4 CCOC(=O)NCCSCOC 62a_100000766300_200011445536 [1,0,0,0,0,0|3,0,0]=4 667 B11R0.4 CCOC(=O)NCCSCSC 62a_100011218213_200011445536 [1,0,0,0,0,0|3,0,0]=4 668 B11R0.4 CCOC(=O)OCSCCCF 62a_100011934791_100000075025 [1,0,0,0,0,0|3,0,0]=4 669 B11R0.4 CCOC(=O)OCSCCCO 62a_100011215043_100000075025 [1,0,0,0,0,0|3,0,0]=4 670 B11R0.4 CCOC(=O)OCSCCOC 62a_100000233755_100000075025 [1,0,0,0,0,0|3,0,0]=4 671 B11R0.4 CCOC(=O)OCSCCSC 62a_100000212216_100000075025 [1,0,0,0,0,0|3,0,0]=4 672 B11R0.4 CCOCCCCC(=O)OCC 34a_100121572206_100000750268 [1,0,0,0,0,0|1,0,0]=2 673 B11R0.4 CCOCCNCC(=O)OCC 2230a_102516460346_100000188475 [1,0,0,0,0,0|2,0,0]=3 674 B11R0.4 CCOCCNCC(=O)OCC 34a_102516460346_100000188475 [1,0,0,0,0,0|2,0,0]=3 675 B11R0.4 CCOCCOCC(=O)OCC 34a_100000210136_100000188475 [1,0,0,0,0,0|2,0,0]=3 676 B11R0.4 CCOCCOCC(=O)OCC 34a_100121572206_100000088970 [1,0,0,0,0,0|2,0,0]=3 677 B11R0.4 CCOCCOCC(=O)OCC 7a_100000210136_100000188475 [1,0,0,0,0,0|2,0,0]=3 678 B11R0.4 CCOCCSCC(=O)OCC 62a_100000188475_100011215890 [1,0,0,0,0,0|2,0,0]=3 679 B11R0.4 CCOCCSCC(=O)OCC 62a_100000210147_100000188475 [1,0,0,0,0,0|2,0,0]=3 680 B11R0.4 CCOCCSCC(=O)OCC 7a_200000230590_100000210202 [1,0,0,0,0,0|2,0,0]=3 681 B11R0.4 CCOCSCCC(=O)OCC 62a_100000739092_100000765890 [1,0,0,0,0,0|2,0,0]=3 682 B11R0.4 CCOCSCCC(=O)OCC 62a_100000765890_100000739092 [1,0,0,0,0,0|2,0,0]=3 683 B11R0.4 CCOCSCOC(=O)OCC 62a_100000739092_100000075025 [1,0,0,0,0,0|3,0,0]=4 684 B11R0.4 CNNC(=O)CCCCCOC 22a_100016993582_100011935119 [1,0,0,0,0,0|3,0,0]=4 685 B11R0.4 COCC(=O)CCCCCCF 1458a_100000210968_100015922095 [1,0,0,0,0,0|3,0,0]=4 686 B11R0.4 COCC(=O)CCCCCCO 1458a_100000210968_100000766143 [1,0,0,0,0,0|3,0,0]=4 687 B11R0.4 COCCCCCC(=O)CCF 1458a_100011935119_100011217306 [1,0,0,0,0,0|3,0,0]=4 688 B11R0.4 COCCCCCC(=O)CCO 1458a_100011935119_100000211926 [1,0,0,0,0,0|3,0,0]=4 689 B11R0.4 CSCC(=O)CCCCCCF 1458a_100000184570_100015922095 [1,0,0,0,0,0|3,0,0]=4 690 B11R0.4 CSCC(=O)CCCCCCO 1458a_100000184570_100000766143 [1,0,0,0,0,0|3,0,0]=4 691 B11R0.4 O=C(CCF)CCCCCCO 1458a_100011996774_100011217306 [1,0,0,0,0,0|3,0,0]=4 692 B11R0.4 O=C(CCO)CCCCCCF 1458a_100011216618_100015922095 [1,0,0,0,0,0|3,0,0]=4 693 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011216618_100000766143 [1,0,0,0,0,0|3,0,0]=4 694 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011996774_100000211926 [1,0,0,0,0,0|3,0,0]=4 695 B11R0.5 CCCCC(=O)CC(=O)CCC 1458a_100000210183_100000747444 [1,0,0,0,0,0|1,0,2]=4 696 B11R0.5 CCCCC(=O)CC(=O)NCC 1458a_100000210183_100000183381 [1,0,0,0,0,0|1,0,2]=4 697 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000210183_100000188475 [1,0,0,0,0,0|0,0,2]=3 698 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210211 [1,0,0,0,0,0|0,0,2]=3 699 B11R0.5 CCCCC(C)NC(=O)CCC 11a_100000126638_100000211992 [1,0,0,0,0,0|3,0,0]=4 700 B11R0.5 CCCCC(C)NC(=O)CCC 1626a_100000126638_100000211992 [1,0,0,0,0,0|3,0,0]=4 701 B11R0.5 CCCCC(C)NC(=O)CCC 240690a_100000126638_100000211992 [1,0,0,0,0,0|3,0,0]=4 702 B11R0.5 CCCCC(C)NC(=O)CCC 527a_100000126638_100000211992 [1,0,0,0,0,0|3,0,0]=4 703 B11R0.5 CCCCC(C)NC(=O)NCC 2708a_100000126638_100015525214 [1,0,0,0,0,0|3,0,0]=4 704 B11R0.5 CCCCC(C)NC(=O)NCC 2708a_100015525214_100000126638 [1,0,0,0,0,0|3,0,0]=4 705 B11R0.5 CCCCC(C)NC(=O)NCC 273464a_100000126638_100015525214 [1,0,0,0,0,0|3,0,0]=4 706 B11R0.5 CCCCC(C)NC(=O)NCC 273464a_100015525214_100000126638 [1,0,0,0,0,0|3,0,0]=4 707 B11R0.5 CCCCC(C)NC(=O)NCC 512a_100000126638_100015525214 [1,0,0,0,0,0|3,0,0]=4 708 B11R0.5 CCCCC(C)NC(=O)NCC 512a_100015525214_100000126638 [1,0,0,0,0,0|3,0,0]=4 709 B11R0.5 CCCCN(C)CC(=O)CCC 2230a_100000207549_100000747444 [1,0,0,0,0,0|3,0,0]=4 710 B11R0.5 CCCCN(C)CC(=O)CCC 269982a_100000207549_100000747444 [1,0,0,0,0,0|3,0,0]=4 711 B11R0.5 CCCCN(C)CC(=O)NCC 2230a_100000207549_100000183381 [1,0,0,0,0,0|3,0,0]=4 712 B11R0.5 CCCCN(C)CC(=O)NCC 2230a_100000741943_100000210211 [1,0,0,0,0,0|3,0,0]=4 713 B11R0.5 CCCCN(C)CC(=O)NCC 269982a_100000207549_100000183381 [1,0,0,0,0,0|3,0,0]=4 714 B11R0.5 CCCCN(C)CC(=O)NCC 269982a_100000741943_100000210211 [1,0,0,0,0,0|3,0,0]=4 715 B11R0.5 CCCCN(C)CC(=O)OCC 2230a_100000207549_100000188475 [1,0,0,0,0,0|2,0,0]=3 716 B11R0.5 CCCCN(C)CC(=O)OCC 2230a_100000220588_100000210211 [1,0,0,0,0,0|2,0,0]=3 717 B11R0.5 CCCCN(C)CC(=O)OCC 269982a_100000207549_100000188475 [1,0,0,0,0,0|2,0,0]=3 718 B11R0.5 CCCNC(=O)CC(=O)OCC 240690a_100020643023_100000243816 [1,0,0,0,0,0|1,0,2]=4 719 B11R0.5 CCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210303 [1,0,0,0,0,0|2,0,0]=3 720 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100000210303_100009817359 [1,0,0,0,0,0|2,0,0]=3 721 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100009817359_100000210303 [1,0,0,0,0,0|2,0,0]=3 722 B11R0.5 CCCSC(C)OC(=O)OCC 62a_100000036008_100000210303 [1,0,0,0,0,0|3,0,0]=4 723 B11R0.5 CCCSC(C)OC(=O)OCC 62a_100000210303_100000036008 [1,0,0,0,0,0|3,0,0]=4 724 B11R0.5 CCOC(=O)CC(=O)CCCF 1458a_100000243816_100011934791 [1,0,0,0,0,0|1,0,2]=4 725 B11R0.5 CCOC(=O)CC(=O)CCCO 1458a_100000243816_100011215043 [1,0,0,0,0,0|1,0,2]=4 726 B11R0.5 CCOC(=O)CC(=O)CCOC 1458a_100000243816_100000233755 [1,0,0,0,0,0|1,0,2]=4 727 B11R0.5 CCOC(=O)CC(=O)CCOC 1458a_100000749529_100000188475 [1,0,0,0,0,0|1,0,2]=4 728 B11R0.5 CCOC(=O)CC(=O)CCSC 1458a_100000174002_100000188475 [1,0,0,0,0,0|1,0,2]=4 729 B11R0.5 CCOC(=O)CC(=O)CCSC 1458a_100000243816_100000751147 [1,0,0,0,0,0|1,0,2]=4 730 B11R0.5 CCOC(=O)CC(=O)CSCC 1458a_100000230394_100000188475 [1,0,0,0,0,0|1,0,2]=4 731 B11R0.5 CCOC(=O)CC(=O)CSCC 62a_100000210202_100000210311 [1,0,0,0,0,0|1,0,2]=4 732 B11R0.5 CCOC(=O)CC(=O)CSCC 62a_100000210311_100000210202 [1,0,0,0,0,0|1,0,2]=4 733 B11R0.5 CCOC(=O)CC(C)NCCO 2230a_100016997473_100009817359 [1,0,0,0,0,0|3,0,0]=4 734 B11R0.5 CCOC(=O)CC(C)SCCF 62a_100009817359_100011217306 [1,0,0,0,0,0|3,0,0]=4 735 B11R0.5 CCOC(=O)CC(C)SCCF 62a_100011217306_100009817359 [1,0,0,0,0,0|3,0,0]=4 736 B11R0.5 CCOC(=O)CC(C)SCCO 62a_100000211926_100009817359 [1,0,0,0,0,0|3,0,0]=4 737 B11R0.5 CCOC(=O)CC(C)SCCO 62a_100009817359_100000211926 [1,0,0,0,0,0|3,0,0]=4 738 B11R0.5 CCOC(=O)CC(C)SCOC 62a_100000766300_100009817359 [1,0,0,0,0,0|3,0,0]=4 739 B11R0.5 CCOC(=O)CC(C)SCOC 62a_100009817359_100000766300 [1,0,0,0,0,0|3,0,0]=4 740 B11R0.5 CCOC(=O)CC(C)SCSC 62a_100009817359_100011218213 [1,0,0,0,0,0|3,0,0]=4 741 B11R0.5 CCOC(=O)CC(C)SCSC 62a_100011218213_100009817359 [1,0,0,0,0,0|3,0,0]=4 742 B11R0.5 CCOC(=O)CN(C)CCCF 2230a_100000220588_100011934791 [1,0,0,0,0,0|3,0,0]=4 743 B11R0.5 CCOC(=O)CN(C)CCCO 2230a_100000213112_100000188475 [1,0,0,0,0,0|3,0,0]=4 744 B11R0.5 CCOC(=O)CN(C)CCCO 2230a_100000220588_100000230001 [1,0,0,0,0,0|3,0,0]=4 745 B11R0.5 CCOC(=O)CN(C)CCCO 269982a_100000213112_100000188475 [1,0,0,0,0,0|3,0,0]=4 746 B11R0.5 CCOC(=O)CN(C)CCOC 2230a_100000220588_100011201679 [1,0,0,0,0,0|3,0,0]=4 747 B11R0.5 CCOC(=O)CN(C)CCOC 2230a_100000743101_100000188475 [1,0,0,0,0,0|3,0,0]=4 748 B11R0.5 CCOC(=O)CN(C)CCOC 269982a_100000743101_100000188475 [1,0,0,0,0,0|3,0,0]=4 749 B11R0.5 CCOC(=O)CN(C)CCSC 2230a_100000220588_100000751147 [1,0,0,0,0,0|3,0,0]=4 750 B11R0.5 CCOC(=O)CN(C)CCSC 2230a_100000686725_100000188475 [1,0,0,0,0,0|3,0,0]=4 751 B11R0.5 CCOC(=O)CN(C)CCSC 269982a_100000686725_100000188475 [1,0,0,0,0,0|3,0,0]=4 752 B11R0.5 CCOC(=O)C[C@@H](C)OCCF 7a_100009816390_100011217306 [1,0,0,0,0,0|3,0,0]=4 753 B11R0.5 CCOC(=O)C[C@@H](C)OCCO 7a_100009816390_100000211926 [1,0,0,0,0,0|3,0,0]=4 754 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000210202_100000688340 [1,0,0,0,0,0|1,0,0]=2 755 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000688340_100000210202 [1,0,0,0,0,0|1,0,0]=2 756 B11R0.5 CCOC(=O)C[C@H](O)CSCF 62a_100000688340_100015361967 [1,0,0,0,0,0|2,0,0]=3 757 B11R0.5 CCOC(=O)C[C@H](O)CSCF 62a_100015361967_100000688340 [1,0,0,0,0,0|2,0,0]=3 758 B11R0.5 CCOCC(=O)CC(=O)OCC 1458a_100000211967_100000188475 [1,0,0,0,0,0|1,0,2]=4 759 B11R0.5 CCOC[C@@H](O)CC(=O)OCC 34a_100121572206_100000688340 [1,0,0,0,0,0|1,0,0]=2 760 B11R0.140 CC/C=C/CC(=O)CCCCC 1458a_100016274230_100000210326 [1,0,0,0,0,0|1,0,2]=4 761 B11R0.140 CC/C=C\CC(=O)CCCCC 1458a_100000212188_100103147603 [1,0,0,0,0,0|1,0,2]=4 762 B11R0.140 CC/C=C\CN(C)CCCCC 2230a_100000223495_100103147603 [1,0,0,0,0,0|3,0,0]=4 763 B11R0.140 CC/C=C\CN(C)CCCCC 269982a_100000223495_100103147603 [1,0,0,0,0,0|3,0,0]=4 764 B11R0.140 CCCCCC(=O)C=COCC 1458a_100016266692_100000210326 [1,0,0,0,0,0|0,0,3]=4 765 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000212188_100011215890 [1,0,0,0,0,0|0,0,3]=4 766 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000749530_100000210326 [1,0,0,0,0,0|0,0,3]=4 767 B11R0.140 CCCCCC(C)SCOCC 62a_100000739092_200011218191 [1,0,0,0,0,0|2,0,1]=4 768 B11R0.140 CCCCCC(C)SCOCC 62a_200011218191_100000739092 [1,0,0,0,0,0|2,0,1]=4 769 B11R0.140 CCCCCN(C)CCOCC 2230a_100000223495_100011215890 [1,0,0,0,0,0|2,0,1]=4 770 B11R0.140 CCCCCN(C)CCOCC 269982a_100000223495_100011215890 [1,0,0,0,0,0|2,0,1]=4 771 B11R0.140 CCCCNC(C)CCOCC 270004a_100000102301_200011216536 [1,0,0,0,0,0|2,0,1]=4 772 B11R0.154 C#CCNC[C@H](O)CC(=O)OC 34a_100000212058_100000754131 [1,0,0,0,0,0|1,0,2]=4 773 B11R0.154 C#CCOC[C@H](O)CC(=O)OC 34a_100000210247_100000754131 [1,0,0,0,0,0|1,0,2]=4 774 B11R0.154 C#CCSC[C@H](O)CC(=O)OC 62a_100000038162_100000754131 [1,0,0,0,0,0|1,0,2]=4 775 B11R0.154 C=CCOC[C@H](O)CC(=O)OC 34a_200000210373_100000754131 [1,0,0,0,0,0|1,0,2]=4 776 B11R0.154 C=CCSC[C@H](O)CC(=O)OC 62a_100000210623_100000754131 [1,0,0,0,0,0|1,0,2]=4 777 B11R0.154 C=CCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210623 [1,0,0,0,0,0|1,0,2]=4 778 B11R0.154 CCC(=O)CC(=O)CCCCO 1458a_100000695505_100000747405 [1,0,0,0,0,0|1,0,2]=4 779 B11R0.154 CCC(=O)CC(=O)CCCOC 1458a_100000741012_100000747405 [1,0,0,0,0,0|1,0,2]=4 780 B11R0.154 CCC(=O)CC(=O)CCCSC 1458a_100000173376_100000747405 [1,0,0,0,0,0|1,0,2]=4 781 B11R0.154 CCC(=O)CN(C)CCCCO 269982a_100000717598_100000747405 [1,0,0,0,0,0|3,0,0]=4 782 B11R0.154 CCC(=O)CN(C)CCCOC 269982a_100000224831_100000747405 [1,0,0,0,0,0|3,0,0]=4 783 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000210414_200012276598 [1,0,0,0,0,0|0,0,2]=3 784 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000212188_100000747405 [1,0,0,0,0,0|0,0,2]=3 785 B11R0.154 CCCCCC(=O)CC(=O)CO 1458a_100000210174_200012276598 [1,0,0,0,0,0|1,0,2]=4 786 B11R0.154 CCCCCC(=O)CC(=O)NC 1458a_100000212188_100000183359 [1,0,0,0,0,0|1,0,2]=4 787 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210326 [1,0,0,0,0,0|0,0,2]=3 788 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000212188_100000747449 [1,0,0,0,0,0|0,0,2]=3 789 B11R0.154 CCCCCC(C)NC(=O)CC 11a_100000211957_100000210414 [1,0,0,0,0,0|2,0,0]=3 790 B11R0.154 CCCCCC(C)NC(=O)CC 1626a_100000211957_100000210414 [1,0,0,0,0,0|2,0,0]=3 791 B11R0.154 CCCCCC(C)NC(=O)CC 240690a_100000211957_100000210414 [1,0,0,0,0,0|2,0,0]=3 792 B11R0.154 CCCCCC(C)NC(=O)CC 527a_100000211957_100000210414 [1,0,0,0,0,0|2,0,0]=3 793 B11R0.154 CCCCCC(C)NC(=O)CO 240690a_100000211957_100000210174 [1,0,0,0,0,0|3,0,0]=4 794 B11R0.154 CCCCCC(C)NC(=O)CO 527a_100000211957_100000210174 [1,0,0,0,0,0|3,0,0]=4 795 B11R0.154 CCCCCC(C)NC(=O)NC 2708a_100000211957_106832991635 [1,0,0,0,0,0|3,0,0]=4 796 B11R0.154 CCCCCC(C)NC(=O)NC 2708a_100102657272_100000211957 [1,0,0,0,0,0|3,0,0]=4 797 B11R0.154 CCCCCC(C)NC(=O)NC 273464a_100000211957_100102657272 [1,0,0,0,0,0|3,0,0]=4 798 B11R0.154 CCCCCC(C)NC(=O)NC 273464a_100102657272_100000211957 [1,0,0,0,0,0|3,0,0]=4 799 B11R0.154 CCCCCC(C)NC(=O)NC 512a_100000211957_100102657272 [1,0,0,0,0,0|3,0,0]=4 800 B11R0.154 CCCCCC(C)NC(=O)NC 512a_106832991638_100000211957 [1,0,0,0,0,0|3,0,0]=4 801 B11R0.154 CCCCCN(C)CC(=O)CC 269982a_100000223495_100000747405 [1,0,0,0,0,0|2,0,0]=3 802 B11R0.154 CCCCCN(C)CC(=O)NC 2230a_100000189611_100000210326 [1,0,0,0,0,0|3,0,0]=4 803 B11R0.154 CCCCCN(C)CC(=O)NC 2230a_100000223495_100000183359 [1,0,0,0,0,0|3,0,0]=4 804 B11R0.154 CCCCCN(C)CC(=O)NC 269982a_100000223495_100000183359 [1,0,0,0,0,0|3,0,0]=4 805 B11R0.154 CCCCCN(C)CC(=O)OC 2230a_100000198492_100000210326 [1,0,0,0,0,0|2,0,0]=3 806 B11R0.154 CCCCCN(C)CC(=O)OC 2230a_100000223495_100000747449 [1,0,0,0,0,0|2,0,0]=3 807 B11R0.154 CCCCCN(C)CC(=O)OC 269982a_100000223495_100000747449 [1,0,0,0,0,0|2,0,0]=3 808 B11R0.154 CCCCNC(=O)CC(=O)CC 1458a_100000210414_100000182744 [1,0,0,0,0,0|1,0,2]=4 809 B11R0.154 CCCCNC(=O)CC(=O)OC 240690a_100000102301_100000211351 [1,0,0,0,0,0|1,0,2]=4 810 B11R0.154 CCCCNC(C)CC(=O)OC 2230a_100000102301_100009817358 [1,0,0,0,0,0|2,0,0]=3 811 B11R0.154 CCCCNC(C)CC(=O)OC 7a_106832991798_100009817358 [1,0,0,0,0,0|2,0,0]=3 812 B11R0.154 CCCCOC(=O)CC(=O)CC 1458a_100000210414_100000211628 [1,0,0,0,0,0|1,0,2]=4 813 B11R0.154 CCCCOC(C)CC(=O)OC 34a_100000210227_100009817358 [1,0,0,0,0,0|2,0,0]=3 814 B11R0.154 CCCCOC(C)CC(=O)OC 7a_100000210227_100009817358 [1,0,0,0,0,0|2,0,0]=3 815 B11R0.154 CCCCSC(C)CC(=O)OC 62a_100000210211_100009817358 [1,0,0,0,0,0|2,0,0]=3 816 B11R0.154 CCCCSC(C)CC(=O)OC 62a_100009817358_100000210210 [1,0,0,0,0,0|2,0,0]=3 817 B11R0.154 CCCOCC(=O)CC(=O)CC 1458a_100000745993_100000747405 [1,0,0,0,0,0|1,0,2]=4 818 B11R0.154 CCCOCC(=O)CC(=O)OC 1458a_100000745993_100000747449 [1,0,0,0,0,0|1,0,2]=4 819 B11R0.154 CCCOC[C@H](O)CC(=O)OC 34a_100000210258_100000754131 [1,0,0,0,0,0|1,0,0]=2 820 B11R0.154 CCCSCC(=O)CC(=O)CC 1458a_100000217233_100000747405 [1,0,0,0,0,0|1,0,2]=4 821 B11R0.154 CCCSCC(=O)CC(=O)OC 1458a_100000217233_100000747449 [1,0,0,0,0,0|1,0,2]=4 822 B11R0.154 CCCSCC(=O)CC(=O)OC 62a_100000210303_100000210525 [1,0,0,0,0,0|1,0,2]=4 823 B11R0.154 CCCSCC(=O)CC(=O)OC 62a_100000210525_100000210303 [1,0,0,0,0,0|1,0,2]=4 824 B11R0.154 CCCSC[C@H](O)CC(=O)OC 62a_100000210303_100000754131 [1,0,0,0,0,0|1,0,0]=2 825 B11R0.154 CCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210303 [1,0,0,0,0,0|1,0,0]=2 826 B11R0.154 CCOCCC(=O)CC(=O)CC 1458a_100000749530_100000747405 [1,0,0,0,0,0|1,0,2]=4 827 B11R0.154 CCOCCC(=O)CC(=O)OC 1458a_100000211351_100011215890 [1,0,0,0,0,0|1,0,2]=4 828 B11R0.154 CCOCCC(=O)CC(=O)OC 1458a_100000749530_100000747449 [1,0,0,0,0,0|1,0,2]=4 829 B11R0.154 CCOCCN(C)CC(=O)OC 2230a_100000198492_100011215890 [1,0,0,0,0,0|3,0,0]=4 830 B11R0.154 CCOCSC(C)CC(=O)OC 62a_100000739092_100009817358 [1,0,0,0,0,0|3,0,0]=4 831 B11R0.154 CCOCSC(C)CC(=O)OC 62a_100009817358_100000739092 [1,0,0,0,0,0|3,0,0]=4 832 B11R0.154 CCSCCC(=O)CC(=O)CC 1458a_100000230768_100000747405 [1,0,0,0,0,0|1,0,2]=4 833 B11R0.154 CCSCCC(=O)CC(=O)OC 1458a_100000211351_100000757381 [1,0,0,0,0,0|1,0,2]=4 834 B11R0.154 CCSCCC(=O)CC(=O)OC 1458a_100000230768_100000747449 [1,0,0,0,0,0|1,0,2]=4 835 B11R0.154 CCSCCN(C)CC(=O)OC 2230a_100000198492_100000757381 [1,0,0,0,0,0|3,0,0]=4 836 B11R0.154 COC(=O)CC(=O)CCCCF 1458a_100000211351_100000729493 [1,0,0,0,0,0|1,0,2]=4 837 B11R0.154 COC(=O)CC(=O)CCCCO 1458a_100000211351_100000210776 [1,0,0,0,0,0|1,0,2]=4 838 B11R0.154 COC(=O)CC(=O)CCCCO 1458a_100000695505_100000747449 [1,0,0,0,0,0|1,0,2]=4 839 B11R0.154 COC(=O)CC(=O)CCCSC 1458a_100000173376_100000747449 [1,0,0,0,0,0|1,0,2]=4 840 B11R0.154 COC(=O)CC(C)NCCCF 2230a_100015189416_100009817358 [1,0,0,0,0,0|3,0,0]=4 841 B11R0.154 COC(=O)CC(C)NCCCF 34a_100015189416_100009817358 [1,0,0,0,0,0|3,0,0]=4 842 B11R0.154 COC(=O)CC(C)NCCSC 2230a_100020590264_100009817358 [1,0,0,0,0,0|3,0,0]=4 843 B11R0.154 COC(=O)CC(C)OCCCBr 34a_100011217188_100009817358 [1,0,0,0,0,0|3,0,0]=4 844 B11R0.154 COC(=O)CC(C)OCCCCl 34a_100000230001_100009817358 [1,0,0,0,0,0|3,0,0]=4 845 B11R0.154 COC(=O)CC(C)OCCCF 34a_100000759539_100009817358 [1,0,0,0,0,0|3,0,0]=4 846 B11R0.154 COC(=O)CC(C)OCCCN 34a_100000182051_100009817358 [1,0,0,0,0,0|3,0,0]=4 847 B11R0.154 COC(=O)CC(C)OCCSC 34a_100000230434_100009817358 [1,0,0,0,0,0|3,0,0]=4 848 B11R0.154 COC(=O)CC(C)OCCSC 7a_100000230434_100009817358 [1,0,0,0,0,0|3,0,0]=4 849 B11R0.154 COC(=O)CC(C)SCCCF 62a_100009817358_100011934791 [1,0,0,0,0,0|3,0,0]=4 850 B11R0.154 COC(=O)CC(C)SCCCF 62a_100011934791_100009817358 [1,0,0,0,0,0|3,0,0]=4 851 B11R0.154 COC(=O)CC(C)SCCCO 62a_100009817358_100011215043 [1,0,0,0,0,0|3,0,0]=4 852 B11R0.154 COC(=O)CC(C)SCCCO 62a_100011215043_100009817358 [1,0,0,0,0,0|3,0,0]=4 853 B11R0.154 COC(=O)CC(C)SCCSC 62a_100000212216_100009817358 [1,0,0,0,0,0|3,0,0]=4 854 B11R0.154 COC(=O)CC(C)SCCSC 62a_100009817358_100000751147 [1,0,0,0,0,0|3,0,0]=4 855 B11R0.154 COC(=O)CN(C)CCCCF 2230a_100000198492_100000729493 [1,0,0,0,0,0|3,0,0]=4 856 B11R0.154 COC(=O)CN(C)CCCCO 2230a_100000198492_100000210776 [1,0,0,0,0,0|3,0,0]=4 857 B11R0.154 COC(=O)CN(C)CCCCO 2230a_100000717598_100000747449 [1,0,0,0,0,0|3,0,0]=4 858 B11R0.154 COC(=O)CN(C)CCCCO 269982a_100000717598_100000747449 [1,0,0,0,0,0|3,0,0]=4 859 B11R0.154 COC(=O)C[C@@H](O)CNCCF 34a_100000724931_100000754131 [1,0,0,0,0,0|2,0,0]=3 860 B11R0.154 COC(=O)C[C@@H](O)CNCCO 34a_100016990907_100000754131 [1,0,0,0,0,0|2,0,0]=3 861 B11R0.154 COC(=O)C[C@@H](O)COCCBr 34a_100000211926_100000754131 [1,0,0,0,0,0|2,0,0]=3 862 B11R0.154 COC(=O)C[C@@H](O)COCCN 34a_100000210304_100000754131 [1,0,0,0,0,0|2,0,0]=3 863 B11R0.154 COC(=O)C[C@@H](O)CSCC#N 62a_100000754131_100011215382 [1,0,0,0,0,0|2,0,1]=4 864 B11R0.154 COC(=O)C[C@@H](O)CSCC#N 62a_100011215382_100000754131 [1,0,0,0,0,0|2,0,1]=4 865 B11R0.154 COC(=O)C[C@@H](O)CSCC=O 62a_100000754131_200015260668 [1,0,0,0,0,0|2,0,1]=4 866 B11R0.154 COC(=O)C[C@@H](O)CSCC=O 62a_200015260668_100000754131 [1,0,0,0,0,0|2,0,1]=4 867 B11R0.154 COC(=O)C[C@@H](O)CSCCF 62a_100000754131_100011217306 [1,0,0,0,0,0|2,0,0]=3 868 B11R0.154 COC(=O)C[C@@H](O)CSCCF 62a_100011217306_100000754131 [1,0,0,0,0,0|2,0,0]=3 869 B11R0.154 COC(=O)C[C@@H](O)CSCCO 62a_100000211926_100000754131 [1,0,0,0,0,0|2,0,0]=3 870 B11R0.154 COC(=O)C[C@@H](O)CSCCO 62a_100000754131_100000211926 [1,0,0,0,0,0|2,0,0]=3 871 B11R0.154 COC(=O)C[C@@H](O)CSCSC 62a_100000754131_100011218213 [1,0,0,0,0,0|2,0,0]=3 872 B11R0.154 COC(=O)C[C@@H](O)CSCSC 62a_100011218213_100000754131 [1,0,0,0,0,0|2,0,0]=3 873 B11R0.154 COCCCC(=O)CC(=O)OC 1458a_100000211351_100000740836 [1,0,0,0,0,0|1,0,2]=4 874 B11R0.154 COCCCC(=O)CC(=O)OC 1458a_100000741012_100000747449 [1,0,0,0,0,0|1,0,2]=4 875 B11R0.154 COCCCN(C)CC(=O)OC 2230a_100000198492_100000740836 [1,0,0,0,0,0|3,0,0]=4 876 B11R0.154 COCCCN(C)CC(=O)OC 2230a_100000224831_100000747449 [1,0,0,0,0,0|3,0,0]=4 877 B11R0.154 COCCCN(C)CC(=O)OC 269982a_100000224831_100000747449 [1,0,0,0,0,0|3,0,0]=4 878 B11R0.154 COCCNC(C)CC(=O)OC 2230a_100000209980_100009817358 [1,0,0,0,0,0|3,0,0]=4 879 B11R0.154 COCCOC(C)CC(=O)OC 34a_100000210237_100009817358 [1,0,0,0,0,0|3,0,0]=4 880 B11R0.154 COCCSC(C)CC(=O)OC 62a_100000233755_100009817358 [1,0,0,0,0,0|3,0,0]=4 881 B11R0.154 COCCSC(C)CC(=O)OC 62a_100009817358_100000233755 [1,0,0,0,0,0|3,0,0]=4 882 B11R0.154 COCSC[C@H](O)CC(=O)OC 62a_100000754131_100000766300 [1,0,0,0,0,0|2,0,0]=3 883 B11R0.154 COCSC[C@H](O)CC(=O)OC 62a_100000766300_100000754131 [1,0,0,0,0,0|2,0,0]=3 884 B13R0.39 CCCCC(=O)C(C)CC(=O)OCC 1458a_100000210183_100009817359 [0,1,0,0,0,0|1,0,1]=3 885 B13R0.39 CCCCC(=O)N(C)CC(=O)OCC 11a_100000220588_100000210183 [0,1,0,0,0,0|2,0,1]=4 886 B13R0.39 CCCCC(=O)N(C)CC(=O)OCC 1626a_100000220588_100000210183 [0,1,0,0,0,0|2,0,1]=4 887 B13R0.39 CCCCC(=O)N(C)CC(=O)OCC 240690a_100000220588_100000210183 [0,1,0,0,0,0|2,0,1]=4 888 B13R0.39 CCCCC(=O)N(C)CC(=O)OCC 527a_100000220588_100000210183 [0,1,0,0,0,0|2,0,1]=4 889 B13R0.39 CCCCC(C)C(=O)CC(=O)CCC 1458a_100000725509_100000747444 [0,1,0,0,0,0|1,0,2]=4 890 B13R0.39 CCCCC(C)C(=O)CC(=O)NCC 1458a_100000725509_100000183381 [0,1,0,0,0,0|1,0,2]=4 891 B13R0.39 CCCCC(C)C(=O)CC(=O)OCC 1458a_100000243816_200011215066 [0,1,0,0,0,0|0,0,2]=3 892 B13R0.39 CCCCC(C)C(=O)CC(=O)OCC 1458a_100000725509_100000188475 [0,1,0,0,0,0|0,0,2]=3 893 B13R0.39 CCCCC(C)N(C)CC(=O)NCC 2230a_100000741943_200011215066 [0,1,0,0,0,0|3,0,0]=4 894 B13R0.39 CCCCC(C)N(C)CC(=O)NCC 269982a_100000741943_200011215066 [0,1,0,0,0,0|3,0,0]=4 895 B13R0.39 CCCCC(C)N(C)CC(=O)NCC 270004a_100000741943_100000210087 [0,1,0,0,0,0|3,0,0]=4 896 B13R0.39 CCCCC(C)N(C)CC(=O)OCC 2230a_100000220588_200011215066 [0,1,0,0,0,0|2,0,0]=3 897 B13R0.39 CCCCC(C)N(C)CC(=O)OCC 270004a_100000220588_100000210087 [0,1,0,0,0,0|2,0,0]=3 898 B13R0.39 CCCCC(O)C(=O)CC(=O)CCC 1458a_100000720857_100000747444 [0,1,0,0,0,0|1,0,2]=4 899 B13R0.39 CCCCC(O)C(=O)CC(=O)NCC 1458a_100000720857_100000183381 [0,1,0,0,0,0|1,0,2]=4 900 B13R0.39 CCCCC(O)C(=O)CC(=O)OCC 1458a_100000720857_100000188475 [0,1,0,0,0,0|0,0,2]=3 901 B13R0.39 CCCCN(C)C(=O)CC(=O)OCC 240690a_100000207549_100000243816 [0,1,0,0,0,0|1,0,2]=4 902 B13R0.39 CCCCN(C)C(C)CC(=O)OCC 2230a_100000207549_100009817359 [0,1,0,0,0,0|2,0,0]=3 903 B13R0.39 CCCCN(C)C(C)CC(=O)OCC 269982a_100000207549_100009817359 [0,1,0,0,0,0|2,0,0]=3 904 B13R0.39 CCCCN(C)C(C)OC(=O)OCC 269982a_100000207549_100000036008 [0,1,0,0,0,0|3,0,0]=4 905 B13R0.39 CCCSC(C)C(=O)CC(=O)OCC 62a_100000210303_100010090504 [0,1,0,0,0,0|1,0,2]=4 906 B13R0.39 CCCSC(C)C(=O)CC(=O)OCC 62a_100010090504_100000210303 [0,1,0,0,0,0|1,0,2]=4 907 B13R0.39 CCOC(=O)CC(=O)C(O)CCSC 1458a_100000685904_100000188475 [0,1,0,0,0,0|1,0,2]=4 908 B13R0.39 CCOC(=O)CC(C)C(=O)CCOC 1458a_100000749529_100009817359 [0,1,0,0,0,0|2,0,1]=4 909 B13R0.39 CCOC(=O)CC(C)C(=O)CCSC 1458a_100000174002_100009817359 [0,1,0,0,0,0|2,0,1]=4 910 B13R0.39 CCOC(=O)CC(C)C(=O)CSCC 1458a_100000230394_100009817359 [0,1,0,0,0,0|2,0,1]=4 911 B13R0.39 CCOC(=O)CC(C)N(C)CCCO 2230a_100000213112_100009817359 [0,1,0,0,0,0|3,0,0]=4 912 B13R0.39 CCOC(=O)CC(C)N(C)CCCO 269982a_100000213112_100009817359 [0,1,0,0,0,0|3,0,0]=4 913 B13R0.39 CCOC(=O)CC(C)N(C)CCOC 2230a_100000743101_100009817359 [0,1,0,0,0,0|3,0,0]=4 914 B13R0.39 CCOC(=O)CC(C)N(C)CCOC 269982a_100000743101_100009817359 [0,1,0,0,0,0|3,0,0]=4 915 B13R0.39 CCOC(=O)CC(C)N(C)CCSC 2230a_100000686725_100009817359 [0,1,0,0,0,0|3,0,0]=4 916 B13R0.39 CCOC(=O)CC(C)N(C)CCSC 269982a_100000686725_100009817359 [0,1,0,0,0,0|3,0,0]=4 917 B13R0.39 CCOC(=O)CN(C)C(C)CCOC 270004a_100000220588_100000742357 [0,1,0,0,0,0|3,0,0]=4 918 B13R0.39 CCOC(=O)CN(C)C(C)CCSC 270004a_100000220588_100011217047 [0,1,0,0,0,0|3,0,0]=4 919 B13R0.39 CCOC(=O)CN(C)C(C)CSCC 270004a_100000220588_200011216171 [0,1,0,0,0,0|3,0,0]=4 920 B13R0.39 CCOCC(=O)C(C)CC(=O)OCC 1458a_100000211967_100009817359 [0,1,0,0,0,0|2,0,1]=4 921 B13R0.89 C#CCN(C)C[C@@H](O)CC(=O)OCC 34a_100000225692_100000688340 [0,1,0,0,0,0|1,0,2]=4 922 B13R0.89 C=C(CCC)CC(=O)CC(=O)OCC 1458a_100000138376_100000188475 [0,1,0,0,0,0|0,0,3]=4 923 B13R0.89 C=CCN(C)C[C@@H](O)CC(=O)OCC 269982a_100000225617_100000688340 [0,1,0,0,0,0|1,0,2]=4 924 B13R0.89 CCCC(=O)CC(=O)CC(=O)OCC 1458a_100000243816_100000747444 [0,1,0,0,0,0|0,0,3]=4 925 B13R0.89 CCCC(=O)CC(=O)CC(C)CCC 1458a_100000748435_100000747444 [0,1,0,0,0,0|1,0,2]=4 926 B13R0.89 CCCC(=O)CN(C)CC(=O)OCC 2230a_100000220588_100000747444 [0,1,0,0,0,0|2,0,1]=4 927 B13R0.89 CCCC(=O)NC(C)CC(=O)OCC 188690a_100000686176_100000211992 [0,1,0,0,0,0|2,0,1]=4 928 B13R0.89 CCCC(C)CC(=O)CC(=O)NCC 1458a_100000748435_100000183381 [0,1,0,0,0,0|1,0,2]=4 929 B13R0.89 CCCC(C)CC(=O)CC(=O)OCC 1458a_100000243816_100011216630 [0,1,0,0,0,0|0,0,2]=3 930 B13R0.89 CCCC(C)CC(=O)CC(=O)OCC 1458a_100000748435_100000188475 [0,1,0,0,0,0|0,0,2]=3 931 B13R0.89 CCCC(C)CN(C)CC(=O)NCC 2230a_100000741943_100011216630 [0,1,0,0,0,0|3,0,0]=4 932 B13R0.89 CCCC(C)CN(C)CC(=O)NCC 269982a_100000741943_100011216630 [0,1,0,0,0,0|3,0,0]=4 933 B13R0.89 CCCC(C)CN(C)CC(=O)NCC 270004a_100000741943_100000243154 [0,1,0,0,0,0|3,0,0]=4 934 B13R0.89 CCCC(C)CN(C)CC(=O)OCC 2230a_100000220588_100011216630 [0,1,0,0,0,0|2,0,0]=3 935 B13R0.89 CCCC(C)CN(C)CC(=O)OCC 270004a_100000220588_100000243154 [0,1,0,0,0,0|2,0,0]=3 936 B13R0.89 CCCC(C)NC(=O)CC(=O)OCC 240690a_100000741246_100000243816 [0,1,0,0,0,0|1,0,2]=4 937 B13R0.89 CCCC(C)NC(C)CC(=O)OCC 2230a_100000741246_100009817359 [0,1,0,0,0,0|2,0,0]=3 938 B13R0.89 CCCC(C)OC(C)CC(=O)OCC 7a_100000764384_100009817359 [0,1,0,0,0,0|2,0,0]=3 939 B13R0.89 CCCC(C)O[C@H](C)CC(=O)OCC 7a_100009816390_100000766640 [0,1,0,0,0,0|2,0,0]=3 940 B13R0.89 CCCC(C)SC(C)CC(=O)OCC 62a_100000766640_100009817359 [0,1,0,0,0,0|2,0,0]=3 941 B13R0.89 CCCC(C)SC(C)CC(=O)OCC 62a_100009817359_100000766640 [0,1,0,0,0,0|2,0,0]=3 942 B13R0.89 CCCC(C)SC(C)OC(=O)OCC 62a_100000036008_100000766640 [0,1,0,0,0,0|3,0,0]=4 943 B13R0.89 CCCC(C)SC(C)OC(=O)OCC 62a_100000766640_100000036008 [0,1,0,0,0,0|3,0,0]=4 944 B13R0.89 CCCN(C)CC(=O)CC(=O)OCC 269982a_100000747261_100000210311 [0,1,0,0,0,0|1,0,2]=4 945 B13R0.89 CCCN(C)C[C@@H](O)CC(=O)OCC 269982a_100000747261_100000688340 [0,1,0,0,0,0|1,0,0]=2 946 B13R0.89 CCCS(=O)CC(=O)CC(=O)OCC 1458a_100011387404_100000188475 [0,1,0,0,0,0|1,0,2]=4 947 B13R0.89 CCOC(=O)CC(=O)CC(C)SCC 1458a_200011311441_100000188475 [0,1,0,0,0,0|1,0,2]=4 948 B13R0.89 CCOC(=O)CC(C)N[C@H](C)CCO 2230a_100000706166_100009817359 [0,1,0,0,0,0|3,0,0]=4 949 B13R0.89 CCOC(=O)CC(C)N[C@H](C)COC 2230a_100000764878_100009817359 [0,1,0,0,0,0|3,0,0]=4 950 B13R0.89 CCOC(=O)CC(C)SC(C)CCO 62a_100009817359_100009893172 [0,1,0,0,0,0|3,0,0]=4 951 B13R0.89 CCOC(=O)CC(C)SC(C)CCO 62a_100009893172_100009817359 [0,1,0,0,0,0|3,0,0]=4 952 B13R0.89 CCOC(=O)CC(C)SC(C)COC 62a_100000765312_100009817359 [0,1,0,0,0,0|3,0,0]=4 953 B13R0.89 CCOC(=O)CC(C)SC(C)COC 62a_100009817359_100000765312 [0,1,0,0,0,0|3,0,0]=4 954 B13R0.89 CCOC(=O)CN(C)CC(O)COC 2230a_100000739405_100000188475 [0,1,0,0,0,0|3,0,0]=4 955 B13R0.89 CCOC(=O)CN(C)CC(O)COC 269982a_100000739405_100000188475 [0,1,0,0,0,0|3,0,0]=4 956 B13R0.89 CCOC(=O)C[C@@H](C)OC(C)CCO 7a_100009816390_100009893172 [0,1,0,0,0,0|3,0,0]=4 957 B13R0.89 CCOC(=O)C[C@@H](C)OC(C)COC 7a_100009816390_100000765312 [0,1,0,0,0,0|3,0,0]=4 958 B13R0.89 CCOC(=O)C[C@H](O)CN(C)CCO 269982a_100000210263_100000688340 [0,1,0,0,0,0|2,0,0]=3 959 B13R0.195 C=C(CC(=O)CCCCC)OCOC 1458a_100000212188_100000042856 [0,1,0,0,0,0|1,0,2]=4 960 B13R0.195 C=C(CN(C)CCCCC)OCOC 269982a_100000223495_100000042856 [0,1,0,0,0,0|3,0,0]=4 961 B13R0.195 C=CCOC(=O)CC(=O)CCCCC 1458a_100000212188_100000033060 [0,1,0,0,0,0|0,0,3]=4 962 B13R0.195 C=CCOC(=O)CN(C)CCCCC 2230a_100000223495_100000033060 [0,1,0,0,0,0|2,0,1]=4 963 B13R0.195 C=CCOC(=O)CN(C)CCCCC 269982a_100000223495_100000033060 [0,1,0,0,0,0|2,0,1]=4 964 B13R0.195 CCC#CC(=O)CC(=O)CCCCC 1458a_100011827653_200012276598 [0,1,0,0,0,0|1,0,2]=4 965 B13R0.195 CCC=CC(=O)CC(=O)CCCCC 1458a_100000212282_200012276598 [0,1,0,0,0,0|1,0,2]=4 966 B13R0.195 CCC=CC(=O)NC(C)CCCCC 11a_100000211957_100000212282 [0,1,0,0,0,0|3,0,0]=4 967 B13R0.195 CCC=CC(=O)NC(C)CCCCC 1626a_100000211957_100000212282 [0,1,0,0,0,0|3,0,0]=4 968 B13R0.195 CCC=CC(=O)NC(C)CCCCC 240690a_100000211957_100000212282 [0,1,0,0,0,0|3,0,0]=4 969 B13R0.195 CCCCCC(=O)CC(=O)CCCC 1458a_100000210183_200012276598 [0,1,0,0,0,0|1,0,2]=4 970 B13R0.195 CCCCCC(=O)CC(=O)CCOC 1458a_100000749529_200012276598 [0,1,0,0,0,0|1,0,2]=4 971 B13R0.195 CCCCCC(=O)CC(=O)CCSC 1458a_100000174002_200012276598 [0,1,0,0,0,0|1,0,2]=4 972 B13R0.195 CCCCCC(=O)CC(=O)COCC 1458a_100000211967_200012276598 [0,1,0,0,0,0|0,0,2]=3 973 B13R0.195 CCCCCC(=O)CC(=O)CSCC 1458a_100000230394_200012276598 [0,1,0,0,0,0|0,1,2]=4 974 B13R0.195 CCCCCC(=O)CC(=O)NCCC 1458a_100000212188_100000183358 [0,1,0,0,0,0|1,0,2]=4 975 B13R0.195 CCCCCC(=O)CC(=O)OCCC 1458a_100000212188_200011215008 [0,1,0,0,0,0|0,0,2]=3 976 B13R0.195 CCCCCC(C)NC(=O)CCCC 11a_100000211957_100000210183 [0,1,0,0,0,0|3,0,0]=4 977 B13R0.195 CCCCCC(C)NC(=O)CCCC 1626a_100000211957_100000210183 [0,1,0,0,0,0|3,0,0]=4 978 B13R0.195 CCCCCC(C)NC(=O)CCCC 240690a_100000211957_100000210183 [0,1,0,0,0,0|3,0,0]=4 979 B13R0.195 CCCCCC(C)NC(=O)CCCC 527a_100000211957_100000210183 [0,1,0,0,0,0|3,0,0]=4 980 B13R0.195 CCCCCC(C)NC(=O)CCOC 11a_100000211957_100000749529 [0,1,0,0,0,0|3,0,0]=4 981 B13R0.195 CCCCCC(C)NC(=O)CCOC 1626a_100000211957_100000749529 [0,1,0,0,0,0|3,0,0]=4 982 B13R0.195 CCCCCC(C)NC(=O)CCOC 240690a_100000211957_100000749529 [0,1,0,0,0,0|3,0,0]=4 983 B13R0.195 CCCCCC(C)NC(=O)CCOC 527a_100000211957_100000749529 [0,1,0,0,0,0|3,0,0]=4 984 B13R0.195 CCCCCC(C)NC(=O)CCSC 11a_100000211957_100000174002 [0,1,0,0,0,0|3,0,0]=4 985 B13R0.195 CCCCCC(C)NC(=O)CCSC 1626a_100000211957_100000174002 [0,1,0,0,0,0|3,0,0]=4 986 B13R0.195 CCCCCC(C)NC(=O)CCSC 240690a_100000211957_100000174002 [0,1,0,0,0,0|3,0,0]=4 987 B13R0.195 CCCCCC(C)NC(=O)CCSC 527a_100000211957_100000174002 [0,1,0,0,0,0|3,0,0]=4 988 B13R0.195 CCCCCC(C)NC(=O)CNCC 2230a_100015525214_100000230335 [0,1,0,0,0,0|3,0,0]=4 989 B13R0.195 CCCCCC(C)NC(=O)COCC 11a_100000211957_100000211967 [0,1,0,0,0,0|2,0,0]=3 990 B13R0.195 CCCCCC(C)NC(=O)COCC 1626a_100000211957_100000211967 [0,1,0,0,0,0|2,0,0]=3 991 B13R0.195 CCCCCC(C)NC(=O)COCC 240690a_100000211957_100000211967 [0,1,0,0,0,0|2,0,0]=3 992 B13R0.195 CCCCCC(C)NC(=O)COCC 34a_100121572206_100000230335 [0,1,0,0,0,0|2,0,0]=3 993 B13R0.195 CCCCCC(C)NC(=O)COCC 527a_100000211957_100000211967 [0,1,0,0,0,0|2,0,0]=3 994 B13R0.195 CCCCCC(C)NC(=O)CSCC 11a_100000211957_100000230394 [0,1,0,0,0,0|2,1,0]=4 995 B13R0.195 CCCCCC(C)NC(=O)CSCC 1626a_100000211957_100000230394 [0,1,0,0,0,0|2,1,0]=4 996 B13R0.195 CCCCCC(C)NC(=O)CSCC 240690a_100000211957_100000230394 [0,1,0,0,0,0|2,1,0]=4 997 B13R0.195 CCCCCC(C)NC(=O)CSCC 527a_100000211957_100000230394 [0,1,0,0,0,0|2,1,0]=4 998 B13R0.195 CCCCCC(C)NC(=O)CSCC 62a_100000210202_100000230335 [0,1,0,0,0,0|2,1,0]=4 999 B13R0.195 CCCCCC(C)NC(=O)CSCC 62a_100000230335_100000210202 [0,1,0,0,0,0|2,1,0]=4 1000 B13R0.195 CCCCCC(C)NC(=O)NCCC 2708a_100000211957_100020643023 [0,1,0,0,0,0|3,0,0]=4 1001 B13R0.195 CCCCCC(C)NC(=O)NCCC 2708a_100020643023_100000211957 [0,1,0,0,0,0|3,0,0]=4 1002 B13R0.195 CCCCCC(C)NC(=O)NCCC 273464a_100000211957_100020643023 [0,1,0,0,0,0|3,0,0]=4 1003 B13R0.195 CCCCCC(C)NC(=O)NCCC 273464a_100020643023_100000211957 [0,1,0,0,0,0|3,0,0]=4 1004 B13R0.195 CCCCCC(C)NC(=O)NCCC 512a_100000211957_100020643023 [0,1,0,0,0,0|3,0,0]=4 1005 B13R0.195 CCCCCC(C)NC(=O)NCCC 512a_100020643023_100000211957 [0,1,0,0,0,0|3,0,0]=4 1006 B13R0.195 CCCCCC(C)NC(=O)NCCF 2708a_100000211957_100000724931 [0,1,0,0,0,0|3,0,0]=4 1007 B13R0.195 CCCCCC(C)NC(=O)NCCF 273464a_100000211957_100000724931 [0,1,0,0,0,0|3,0,0]=4 1008 B13R0.195 CCCCCC(C)NC(=O)NCCF 273464a_100000724931_100000211957 [0,1,0,0,0,0|3,0,0]=4 1009 B13R0.195 CCCCCC(C)NC(=O)NCCF 512a_100000211957_100000724931 [0,1,0,0,0,0|3,0,0]=4 1010 B13R0.195 CCCCCC(C)NC(=O)NCCO 2708a_100000211957_100000210304 [0,1,0,0,0,0|3,0,0]=4 1011 B13R0.195 CCCCCC(C)NC(=O)NCCO 273464a_100000210304_100000211957 [0,1,0,0,0,0|3,0,0]=4 1012 B13R0.195 CCCCCC(C)NC(=O)NCCO 273464a_100000211957_100000210304 [0,1,0,0,0,0|3,0,0]=4 1013 B13R0.195 CCCCCC(C)NC(=O)NCCO 512a_100000211957_100000210304 [0,1,0,0,0,0|3,0,0]=4 1014 B13R0.195 CCCCCC(C)NC(=O)NNCC 273464a_100000211957_100000756455 [0,1,0,0,0,0|3,0,0]=4 1015 B13R0.195 CCCCCC(C)NC(=O)NNCC 512a_100000211957_100000756455 [0,1,0,0,0,0|3,0,0]=4 1016 B13R0.195 CCCCCC(C)NC(=O)NNCC 512a_100000756455_100000211957 [0,1,0,0,0,0|3,0,0]=4 1017 B13R0.195 CCCCCC(C)OC(=O)CNCC 2230a_100015525214_200000092394 [0,1,0,0,0,0|3,0,0]=4 1018 B13R0.195 CCCCCC(C)OC(=O)COCC 34a_100121572206_200000092394 [0,1,0,0,0,0|2,0,0]=3 1019 B13R0.195 CCCCCC(C)OC(=O)CSCC 62a_100000210202_200000092394 [0,1,0,0,0,0|2,1,0]=4 1020 B13R0.195 CCCCCC(C)OC(=O)CSCC 62a_200000092394_100000210202 [0,1,0,0,0,0|2,1,0]=4 1021 B13R0.195 CCCCCN(C)CC(=O)NCCC 2230a_100000223495_100000183358 [0,1,0,0,0,0|3,0,0]=4 1022 B13R0.195 CCCCCN(C)CC(=O)NCCC 2230a_100000684209_100000210326 [0,1,0,0,0,0|3,0,0]=4 1023 B13R0.195 CCCCCN(C)CC(=O)NCCC 269982a_100000223495_100000183358 [0,1,0,0,0,0|3,0,0]=4 1024 B13R0.195 CCCCCN(C)CC(=O)NCCC 269982a_100000684209_100000210215 [0,1,0,0,0,0|3,0,0]=4 1025 B13R0.195 CCCCCN(C)CC(=O)OCCC 2230a_100000223495_200011215008 [0,1,0,0,0,0|2,0,0]=3 1026 B13R0.195 CCCCCN(C)CC(=O)OCCC 269982a_100000223495_200011215008 [0,1,0,0,0,0|2,0,0]=3 1027 B13R0.195 CCCCNC(=O)CC(=O)COCC 1458a_100000211967_100000182744 [0,1,0,0,0,0|1,0,2]=4 1028 B13R0.195 CCCCOC(=O)CC(=O)COCC 1458a_100000211967_100000211628 [0,1,0,0,0,0|1,0,2]=4 1029 B13R0.195 CCCOC(=O)CC(=O)CCCCO 1458a_100000695505_200011215008 [0,1,0,0,0,0|1,0,2]=4 1030 B13R0.195 CCCOC(=O)CC(=O)CCCOC 1458a_100000741012_200011215008 [0,1,0,0,0,0|1,0,2]=4 1031 B13R0.195 CCCOC(=O)CC(=O)CCCSC 1458a_100000173376_200011215008 [0,1,0,0,0,0|1,0,2]=4 1032 B13R0.195 CCCOC(=O)CC(=O)CCOCC 1458a_100000749530_200011215008 [0,1,0,0,0,0|1,0,2]=4 1033 B13R0.195 CCCOC(=O)CC(=O)CCSCC 1458a_100000230768_200011215008 [0,1,0,0,0,0|1,0,2]=4 1034 B13R0.195 CCCOC(=O)CC(=O)CSCCC 1458a_100000217233_200011215008 [0,1,0,0,0,0|1,0,2]=4 1035 B13R0.195 CCCOC(=O)CN(C)CCCCO 2230a_100000717598_200011215008 [0,1,0,0,0,0|3,0,0]=4 1036 B13R0.195 CCCOC(=O)CN(C)CCCCO 269982a_100000717598_200011215008 [0,1,0,0,0,0|3,0,0]=4 1037 B13R0.195 CCCOC(=O)CN(C)CCCOC 2230a_100000224831_200011215008 [0,1,0,0,0,0|3,0,0]=4 1038 B13R0.195 CCCOC(=O)CN(C)CCCOC 269982a_100000224831_200011215008 [0,1,0,0,0,0|3,0,0]=4 1039 B13R0.195 CCCOCC(=O)CC(=O)OCCC 1458a_100000745993_200011215008 [0,1,0,0,0,0|1,0,2]=4 1040 B13R0.330 C#CCCCCC(=O)CC(=O)OCC 1458a_100000243816_100010269958 [0,1,0,0,0,0|0,0,3]=4 1041 B13R0.330 C#CCCCCC(=O)CC(=O)OCC 1458a_100000696528_100000188475 [0,1,0,0,0,0|0,0,3]=4 1042 B13R0.330 C#CCCCCN(C)CC(=O)OCC 2230a_100000220588_100010269958 [0,1,0,0,0,0|2,0,1]=4 1043 B13R0.330 C#CCCCOC(C)CC(=O)OCC 7a_100000215630_100009817359 [0,1,0,0,0,0|1,0,2]=4 1044 B13R0.330 C#CCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100011215417 [0,1,0,0,0,0|1,0,2]=4 1045 B13R0.330 C#CCCCSC(C)CC(=O)OCC 62a_100009817359_100011215417 [0,1,0,0,0,0|1,0,2]=4 1046 B13R0.330 C#CCCCSC(C)CC(=O)OCC 62a_100011215417_100009817359 [0,1,0,0,0,0|1,0,2]=4 1047 B13R0.330 C#CCCNC[C@@H](O)CC(=O)OCC 34a_100000755551_100000688340 [0,1,0,0,0,0|0,0,2]=3 1048 B13R0.330 C#CCCOC[C@@H](O)CC(=O)OCC 34a_100011215631_100000688340 [0,1,0,0,0,0|0,0,2]=3 1049 B13R0.330 C#CCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000688953 [0,1,0,0,0,0|0,0,2]=3 1050 B13R0.330 C#CCCSC[C@@H](O)CC(=O)OCC 62a_100000688953_100000688340 [0,1,0,0,0,0|0,0,2]=3 1051 B13R0.330 C/C=C/COC[C@@H](O)CC(=O)OCC 34a_100016270725_100000688340 [0,1,0,0,0,0|0,0,2]=3 1052 B13R0.330 C/C=C/CSC[C@@H](O)CC(=O)OCC 62a_100000688340_100102629194 [0,1,0,0,0,0|0,0,2]=3 1053 B13R0.330 C/C=C/CSC[C@@H](O)CC(=O)OCC 62a_100102629194_100000688340 [0,1,0,0,0,0|0,0,2]=3 1054 B13R0.330 C=CCCCCC(=O)CC(=O)OCC 1458a_100000243816_100011215482 [0,1,0,0,0,0|0,0,3]=4 1055 B13R0.330 C=CCCCCC(=O)CC(=O)OCC 1458a_100011215552_100000188475 [0,1,0,0,0,0|0,0,3]=4 1056 B13R0.330 C=CCCCCN(C)CC(=O)OCC 2230a_100000220588_100011215482 [0,1,0,0,0,0|2,0,1]=4 1057 B13R0.330 C=CCCCCN(C)CC(=O)OCC 2230a_100012000471_100000188475 [0,1,0,0,0,0|2,0,1]=4 1058 B13R0.330 C=CCCCCN(C)CC(=O)OCC 269982a_100012000471_100000188475 [0,1,0,0,0,0|2,0,1]=4 1059 B13R0.330 C=CCCCNC(C)CC(=O)OCC 2230a_100000700776_100009817359 [0,1,0,0,0,0|1,0,2]=4 1060 B13R0.330 C=CCCCOC(C)CC(=O)OCC 7a_100000758997_100009817359 [0,1,0,0,0,0|1,0,2]=4 1061 B13R0.330 C=CCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000757094 [0,1,0,0,0,0|1,0,2]=4 1062 B13R0.330 C=CCCCSC(C)CC(=O)OCC 62a_100009817359_100000757094 [0,1,0,0,0,0|1,0,2]=4 1063 B13R0.330 C=CCCCSC(C)CC(=O)OCC 62a_100011713584_100009817359 [0,1,0,0,0,0|1,0,2]=4 1064 B13R0.330 C=CCCOC[C@@H](O)CC(=O)OCC 34a_100011205117_100000688340 [0,1,0,0,0,0|0,0,2]=3 1065 B13R0.330 C=CCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000754431 [0,1,0,0,0,0|0,0,2]=3 1066 B13R0.330 C=CCCSC[C@@H](O)CC(=O)OCC 62a_100000754431_100000688340 [0,1,0,0,0,0|0,0,2]=3 1067 B13R0.330 CC#CCNC[C@@H](O)CC(=O)OCC 34a_100000685387_100000688340 [0,1,0,0,0,0|0,0,2]=3 1068 B13R0.330 CC#CCOC[C@@H](O)CC(=O)OCC 34a_100000761923_100000688340 [0,1,0,0,0,0|0,0,2]=3 1069 B13R0.330 CC#CCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000748600 [0,1,0,0,0,0|0,0,2]=3 1070 B13R0.330 CC#CCSC[C@@H](O)CC(=O)OCC 62a_100000748600_100000688340 [0,1,0,0,0,0|0,0,2]=3 1071 B13R0.330 CC/C=C\CCC(=O)CC(=O)OCC 1458a_100000243816_100015370543 [0,1,0,0,0,0|0,0,3]=4 1072 B13R0.330 CC/C=C\CCN(C)CC(=O)OCC 2230a_100000220588_100015370543 [0,1,0,0,0,0|2,0,1]=4 1073 B13R0.330 CC/C=C\CO[C@H](C)CC(=O)OCC 7a_100009816390_100103147603 [0,1,0,0,0,0|1,0,2]=4 1074 B13R0.330 CC/C=C\CSC(C)CC(=O)OCC 62a_100009817359_100103147603 [0,1,0,0,0,0|1,0,2]=4 1075 B13R0.330 CC/C=C\CSC(C)CC(=O)OCC 62a_100103147603_100009817359 [0,1,0,0,0,0|1,0,2]=4 1076 B13R0.330 CC=CCSC[C@@H](O)CC(=O)OCC 62a_100000070051_100000688340 [0,1,0,0,0,0|0,0,2]=3 1077 B13R0.330 CC=CCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000070051 [0,1,0,0,0,0|0,0,2]=3 1078 B13R0.330 CCC#CCO[C@H](C)CC(=O)OCC 7a_100009816390_100009813939 [0,1,0,0,0,0|1,0,2]=4 1079 B13R0.330 CCC#CCSC(C)CC(=O)OCC 62a_100009813939_100009817359 [0,1,0,0,0,0|1,0,2]=4 1080 B13R0.330 CCC#CCSC(C)CC(=O)OCC 62a_100009817359_100009813939 [0,1,0,0,0,0|1,0,2]=4 1081 B13R0.330 CCC/C=C/CC(=O)CC(=O)OCC 1458a_200016266809_100000188475 [0,1,0,0,0,0|0,0,3]=4 1082 B13R0.330 CCCC(=O)CC(=O)CCCCCO 1458a_100102619762_100000747444 [0,1,0,0,0,0|1,0,2]=4 1083 B13R0.330 CCCC(=O)CN(C)CCCCCO 2230a_100000722520_100000747444 [0,1,0,0,0,0|3,0,0]=4 1084 B13R0.330 CCCC(=O)CN(C)CCCCCO 269982a_100000722520_100000747444 [0,1,0,0,0,0|3,0,0]=4 1085 B13R0.330 CCCCC=CC(=O)CC(=O)OCC 1458a_100016266645_100000188475 [0,1,0,0,0,0|0,0,3]=4 1086 B13R0.330 CCCCCCC(=O)CC(=O)CCC 1458a_100102632555_100000747444 [0,1,0,0,0,0|1,0,2]=4 1087 B13R0.330 CCCCCCC(=O)CC(=O)NCC 1458a_100102632555_100000183381 [0,1,0,0,0,0|1,0,2]=4 1088 B13R0.330 CCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210757 [0,1,0,0,0,0|0,0,2]=3 1089 B13R0.330 CCCCCCC(=O)CC(=O)OCC 1458a_100102632555_100000188475 [0,1,0,0,0,0|0,0,2]=3 1090 B13R0.330 CCCCCCC(C)NC(=O)CCC 11a_100000210919_100000211992 [0,1,0,0,0,0|3,0,0]=4 1091 B13R0.330 CCCCCCC(C)NC(=O)CCC 1626a_100000210919_100000211992 [0,1,0,0,0,0|3,0,0]=4 1092 B13R0.330 CCCCCCC(C)NC(=O)CCC 240690a_100000210919_100000211992 [0,1,0,0,0,0|3,0,0]=4 1093 B13R0.330 CCCCCCC(C)NC(=O)CCC 527a_100000210919_100000211992 [0,1,0,0,0,0|3,0,0]=4 1094 B13R0.330 CCCCCCC(C)NC(=O)NCC 2708a_100000210919_100015525214 [0,1,0,0,0,0|3,0,0]=4 1095 B13R0.330 CCCCCCC(C)NC(=O)NCC 2708a_100015525214_100000210919 [0,1,0,0,0,0|3,0,0]=4 1096 B13R0.330 CCCCCCC(C)NC(=O)NCC 273464a_100000210919_100015525214 [0,1,0,0,0,0|3,0,0]=4 1097 B13R0.330 CCCCCCC(C)NC(=O)NCC 273464a_100015525214_100000210919 [0,1,0,0,0,0|3,0,0]=4 1098 B13R0.330 CCCCCCC(C)NC(=O)NCC 512a_100000210919_100015525214 [0,1,0,0,0,0|3,0,0]=4 1099 B13R0.330 CCCCCCC(C)NC(=O)NCC 512a_100015525214_100000210919 [0,1,0,0,0,0|3,0,0]=4 1100 B13R0.330 CCCCCCN(C)CC(=O)CCC 2230a_106256046315_100000747444 [0,1,0,0,0,0|3,0,0]=4 1101 B13R0.330 CCCCCCN(C)CC(=O)CCC 269982a_106256046315_100000747444 [0,1,0,0,0,0|3,0,0]=4 1102 B13R0.330 CCCCCCN(C)CC(=O)NCC 2230a_100000741943_100000210314 [0,1,0,0,0,0|3,0,0]=4 1103 B13R0.330 CCCCCCN(C)CC(=O)NCC 2230a_106256046315_100000183381 [0,1,0,0,0,0|3,0,0]=4 1104 B13R0.330 CCCCCCN(C)CC(=O)NCC 269982a_100000741943_100000210757 [0,1,0,0,0,0|3,0,0]=4 1105 B13R0.330 CCCCCCN(C)CC(=O)NCC 269982a_106256046315_100000183381 [0,1,0,0,0,0|3,0,0]=4 1106 B13R0.330 CCCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210314 [0,1,0,0,0,0|2,0,0]=3 1107 B13R0.330 CCCCCCN(C)CC(=O)OCC 2230a_106256046315_100000188475 [0,1,0,0,0,0|2,0,0]=3 1108 B13R0.330 CCCCCCN(C)CC(=O)OCC 269982a_106256046315_100000188475 [0,1,0,0,0,0|2,0,0]=3 1109 B13R0.330 CCCCCNC(=O)CC(=O)CCC 1458a_100000211992_100000230301 [0,1,0,0,0,0|1,0,2]=4 1110 B13R0.330 CCCCCNC(=O)CC(=O)OCC 240690a_100000209983_100000243816 [0,1,0,0,0,0|0,0,2]=3 1111 B13R0.330 CCCCCNC(C)CC(=O)OCC 2230a_100000209983_100009817359 [0,1,0,0,0,0|1,0,0]=2 1112 B13R0.330 CCCCCOC(C)CC(=O)OCC 7a_100000210253_100009817359 [0,1,0,0,0,0|1,0,0]=2 1113 B13R0.330 CCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210326 [0,1,0,0,0,0|1,0,0]=2 1114 B13R0.330 CCCCCSC(C)CC(=O)OCC 62a_100000210326_100009817359 [0,1,0,0,0,0|1,0,0]=2 1115 B13R0.330 CCCCCSC(C)CC(=O)OCC 62a_100009817359_100000210326 [0,1,0,0,0,0|1,0,0]=2 1116 B13R0.330 CCCCCSC(C)OC(=O)OCC 62a_100000036008_100000210326 [0,1,0,0,0,0|2,0,0]=3 1117 B13R0.330 CCCCCSC(C)OC(=O)OCC 62a_100000210326_100000036008 [0,1,0,0,0,0|2,0,0]=3 1118 B13R0.330 CCCCNCC(=CC(=O)OCC)C 2230a_100000102301_100135422193 [0,1,0,0,0,0|1,0,2]=4 1119 B13R0.330 CCCCNCC(=CC(=O)OCC)C 7a_106832991798_100135422193 [0,1,0,0,0,0|1,0,2]=4 1120 B13R0.330 CCCCNCC(=O)NC(=O)OCC 7a_106832991798_100000010344 [0,1,0,0,0,0|1,0,2]=4 1121 B13R0.330 CCCCNC[C@@H](O)CC(=O)OCC 7a_106832991798_100000688340 [0,1,0,0,0,0|0,0,0]=1 1122 B13R0.330 CCCCNNC(=O)CC(=O)OCC 22a_100025702795_100000243816 [0,1,0,0,0,0|1,0,2]=4 1123 B13R0.330 CCCCOCC(=CC(=O)OCC)C 34a_100000210227_100135422193 [0,1,0,0,0,0|1,0,2]=4 1124 B13R0.330 CCCCOCC(=CC(=O)OCC)C 7a_100000210227_100135422193 [0,1,0,0,0,0|1,0,2]=4 1125 B13R0.330 CCCCOCC(=O)CC(=O)CCC 1458a_100000757543_100000747444 [0,1,0,0,0,0|1,0,2]=4 1126 B13R0.330 CCCCOCC(=O)CC(=O)NCC 1458a_100000757543_100000183381 [0,1,0,0,0,0|1,0,2]=4 1127 B13R0.330 CCCCOCC(=O)CC(=O)OCC 1458a_100000243816_100011995733 [0,1,0,0,0,0|0,0,2]=3 1128 B13R0.330 CCCCOCC(=O)CC(=O)OCC 1458a_100000757543_100000188475 [0,1,0,0,0,0|0,0,2]=3 1129 B13R0.330 CCCCOCC(=O)NC(=O)OCC 7a_100000210227_100000010344 [0,1,0,0,0,0|1,0,2]=4 1130 B13R0.330 CCCCOCN(C)CC(=O)NCC 2230a_100000741943_100011995733 [0,1,0,0,0,0|3,0,0]=4 1131 B13R0.330 CCCCOCN(C)CC(=O)NCC 269982a_100000741943_100011995733 [0,1,0,0,0,0|3,0,0]=4 1132 B13R0.330 CCCCOCN(C)CC(=O)OCC 2230a_100000220588_100011995733 [0,1,0,0,0,0|2,0,0]=3 1133 B13R0.330 CCCCOC[C@@H](O)CC(=O)OCC 34a_100000210227_100000688340 [0,1,0,0,0,0|0,0,0]=1 1134 B13R0.330 CCCCOC[C@@H](O)CC(=O)OCC 7a_100000210227_100000688340 [0,1,0,0,0,0|0,0,0]=1 1135 B13R0.330 CCCCSCC(=CC(=O)OCC)C 62a_100000210211_100135422193 [0,1,0,0,0,0|1,0,2]=4 1136 B13R0.330 CCCCSCC(=CC(=O)OCC)C 62a_100135422193_100000210210 [0,1,0,0,0,0|1,0,2]=4 1137 B13R0.330 CCCCSCC(=O)CC(=O)CCC 1458a_100000191162_100000747444 [0,1,0,0,0,0|1,0,2]=4 1138 B13R0.330 CCCCSCC(=O)CC(=O)NCC 1458a_100000191162_100000183381 [0,1,0,0,0,0|1,0,2]=4 1139 B13R0.330 CCCCSCC(=O)CC(=O)OCC 1458a_100000191162_100000188475 [0,1,0,0,0,0|0,0,2]=3 1140 B13R0.330 CCCCSCC(=O)CC(=O)OCC 62a_100000210211_100000210311 [0,1,0,0,0,0|0,0,2]=3 1141 B13R0.330 CCCCSCC(=O)CC(=O)OCC 62a_100000210311_100000210210 [0,1,0,0,0,0|0,0,2]=3 1142 B13R0.330 CCCCSCC(=O)NC(=O)OCC 62a_100000210211_100000010344 [0,1,0,0,0,0|1,0,2]=4 1143 B13R0.330 CCCCSC[C@@H](O)CC(=O)OCC 62a_100000210211_100000688340 [0,1,0,0,0,0|0,0,0]=1 1144 B13R0.330 CCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210210 [0,1,0,0,0,0|0,0,0]=1 1145 B13R0.330 CCCOCCC(=O)CC(=O)OCC 1458a_100000243816_100011215938 [0,1,0,0,0,0|0,0,2]=3 1146 B13R0.330 CCCOCCN(C)CC(=O)NCC 2230a_100000741943_100011215938 [0,1,0,0,0,0|3,0,0]=4 1147 B13R0.330 CCCOCCN(C)CC(=O)NCC 269982a_100000741943_100011215938 [0,1,0,0,0,0|3,0,0]=4 1148 B13R0.330 CCCOCCN(C)CC(=O)OCC 2230a_100000220588_100011215938 [0,1,0,0,0,0|2,0,0]=3 1149 B13R0.330 CCNC(=O)CC(=O)CCCCCO 1458a_100102619762_100000183381 [0,1,0,0,0,0|1,0,2]=4 1150 B13R0.330 CCNC(=O)CN(C)CCCCCF 2230a_100000741943_100000729378 [0,1,0,0,0,0|3,0,0]=4 1151 B13R0.330 CCNC(=O)CN(C)CCCCCF 269982a_100000741943_100000729378 [0,1,0,0,0,0|3,0,0]=4 1152 B13R0.330 CCNC(=O)CN(C)CCCCCO 2230a_100000722520_100000183381 [0,1,0,0,0,0|3,0,0]=4 1153 B13R0.330 CCNC(=O)CN(C)CCCCCO 2230a_100000741943_100000746330 [0,1,0,0,0,0|3,0,0]=4 1154 B13R0.330 CCNC(=O)CN(C)CCCCCO 269982a_100000722520_100000183381 [0,1,0,0,0,0|3,0,0]=4 1155 B13R0.330 CCNC(=O)CN(C)CCCCCO 269982a_100000741943_100000746330 [0,1,0,0,0,0|3,0,0]=4 1156 B13R0.330 CCNC(=O)CN(C)CCCCOC 2230a_100000741943_100000730899 [0,1,0,0,0,0|3,0,0]=4 1157 B13R0.330 CCNC(=O)CN(C)CCCCOC 269982a_100000741943_100000730899 [0,1,0,0,0,0|3,0,0]=4 1158 B13R0.330 CCNC(=O)CN(C)CCCOCC 2230a_100000741943_100012232248 [0,1,0,0,0,0|3,0,0]=4 1159 B13R0.330 CCNC(=O)CN(C)CCCOCC 269982a_100000741943_100012232248 [0,1,0,0,0,0|3,0,0]=4 1160 B13R0.330 CCOC(=O)CC(=O)CCCCC#N 1458a_100000243816_100000211819 [0,1,0,0,0,0|0,0,3]=4 1161 B13R0.330 CCOC(=O)CC(=O)CCCCCF 1458a_100000243816_100000729378 [0,1,0,0,0,0|0,0,2]=3 1162 B13R0.330 CCOC(=O)CC(=O)CCCCCO 1458a_100000243816_100000746330 [0,1,0,0,0,0|0,0,2]=3 1163 B13R0.330 CCOC(=O)CC(=O)CCCCCO 1458a_100102619762_100000188475 [0,1,0,0,0,0|0,0,2]=3 1164 B13R0.330 CCOC(=O)CC(=O)CCCCOC 1458a_100000243816_100000755781 [0,1,0,0,0,0|0,0,2]=3 1165 B13R0.330 CCOC(=O)CC(=O)CCOCCO 1458a_100000243816_100011215305 [0,1,0,0,0,0|1,0,2]=4 1166 B13R0.330 CCOC(=O)CC(=O)CCOCCO 1458a_100011229844_100000188475 [0,1,0,0,0,0|1,0,2]=4 1167 B13R0.330 CCOC(=O)CC(=O)COCCOC 1458a_100000211095_100000188475 [0,1,0,0,0,0|1,0,2]=4 1168 B13R0.330 CCOC(=O)CC(=O)CSCCCF 62a_100000210311_100011934791 [0,1,0,0,0,0|1,0,2]=4 1169 B13R0.330 CCOC(=O)CC(=O)CSCCCF 62a_100011934791_100000210311 [0,1,0,0,0,0|1,0,2]=4 1170 B13R0.330 CCOC(=O)CC(=O)CSCCCO 62a_100000210311_100011215043 [0,1,0,0,0,0|1,0,2]=4 1171 B13R0.330 CCOC(=O)CC(=O)CSCCCO 62a_100011215043_100000210311 [0,1,0,0,0,0|1,0,2]=4 1172 B13R0.330 CCOC(=O)CC(=O)CSCCOC 62a_100000210311_100000233755 [0,1,0,0,0,0|1,0,2]=4 1173 B13R0.330 CCOC(=O)CC(=O)CSCCOC 62a_100000233755_100000210311 [0,1,0,0,0,0|1,0,2]=4 1174 B13R0.330 CCOC(=O)CC(=O)CSCCSC 62a_100000210311_100000751147 [0,1,0,0,0,0|1,0,2]=4 1175 B13R0.330 CCOC(=O)CC(=O)CSCCSC 62a_100000212216_100000210311 [0,1,0,0,0,0|1,0,2]=4 1176 B13R0.330 CCOC(=O)CC(=O)NCCCCO 240690a_100000750430_100000243816 [0,1,0,0,0,0|1,0,2]=4 1177 B13R0.330 CCOC(=O)CC(=O)NCCCOC 240690a_100150723488_100000243816 [0,1,0,0,0,0|1,0,2]=4 1178 B13R0.330 CCOC(=O)CC(=O)NCCCSC 240690a_100000749238_100000243816 [0,1,0,0,0,0|1,0,2]=4 1179 B13R0.330 CCOC(=O)CC(=O)NCCSCC 240690a_100000106463_100000243816 [0,1,0,0,0,0|1,0,2]=4 1180 B13R0.330 CCOC(=O)CC(C)NCCCCO 2230a_100000750430_100009817359 [0,1,0,0,0,0|2,0,0]=3 1181 B13R0.330 CCOC(=O)CC(C)NCCCSC 2230a_100000749238_100009817359 [0,1,0,0,0,0|2,0,0]=3 1182 B13R0.330 CCOC(=O)CC(C)NCCSCC 2230a_100000106463_100009817359 [0,1,0,0,0,0|2,0,0]=3 1183 B13R0.330 CCOC(=O)CC(C)OCCCCCl 7a_100000210776_100009817359 [0,1,0,0,0,0|2,0,0]=3 1184 B13R0.330 CCOC(=O)CC(C)OCCCCF 7a_100011995726_100009817359 [0,1,0,0,0,0|2,0,0]=3 1185 B13R0.330 CCOC(=O)CC(C)OCCCSC 7a_100000690336_100009817359 [0,1,0,0,0,0|2,0,0]=3 1186 B13R0.330 CCOC(=O)CC(C)OCCSCC 7a_100000212035_100009817359 [0,1,0,0,0,0|2,0,0]=3 1187 B13R0.330 CCOC(=O)CC(C)SCCCC#N 62a_100000687738_100009817359 [0,1,0,0,0,0|2,0,1]=4 1188 B13R0.330 CCOC(=O)CC(C)SCCCC#N 62a_100009817359_100000687738 [0,1,0,0,0,0|2,0,1]=4 1189 B13R0.330 CCOC(=O)CC(C)SCCCC=O 62a_100009817359_200011292268 [0,1,0,0,0,0|2,0,1]=4 1190 B13R0.330 CCOC(=O)CC(C)SCCCC=O 62a_200011292268_100009817359 [0,1,0,0,0,0|2,0,1]=4 1191 B13R0.330 CCOC(=O)CC(C)SCCCCF 62a_100000729493_100009817359 [0,1,0,0,0,0|2,0,0]=3 1192 B13R0.330 CCOC(=O)CC(C)SCCCCF 62a_100009817359_100000729493 [0,1,0,0,0,0|2,0,0]=3 1193 B13R0.330 CCOC(=O)CC(C)SCCCCO 62a_100000210776_100009817359 [0,1,0,0,0,0|2,0,0]=3 1194 B13R0.330 CCOC(=O)CC(C)SCCCCO 62a_100009817359_100000210776 [0,1,0,0,0,0|2,0,0]=3 1195 B13R0.330 CCOC(=O)CC(C)SCCCOC 62a_100000709357_100009817359 [0,1,0,0,0,0|2,0,0]=3 1196 B13R0.330 CCOC(=O)CC(C)SCCCOC 62a_100009817359_100000709357 [0,1,0,0,0,0|2,0,0]=3 1197 B13R0.330 CCOC(=O)CC(C)SCCSCC 62a_100000757381_100009817359 [0,1,0,0,0,0|2,0,0]=3 1198 B13R0.330 CCOC(=O)CC(C)SCCSCC 62a_100009817359_100000757381 [0,1,0,0,0,0|2,0,0]=3 1199 B13R0.330 CCOC(=O)CN(C)CCCCC#N 2230a_100000220588_100000211819 [0,1,0,0,0,0|2,0,1]=4 1200 B13R0.330 CCOC(=O)CN(C)CCCCC=O 2230a_100000220588_100000139335 [0,1,0,0,0,0|2,0,1]=4 1201 B13R0.330 CCOC(=O)CN(C)CCCCCF 2230a_100000220588_100000729378 [0,1,0,0,0,0|2,0,0]=3 1202 B13R0.330 CCOC(=O)CN(C)CCCCCO 2230a_100000220588_100000746330 [0,1,0,0,0,0|2,0,0]=3 1203 B13R0.330 CCOC(=O)CN(C)CCCCCO 2230a_100000722520_100000188475 [0,1,0,0,0,0|2,0,0]=3 1204 B13R0.330 CCOC(=O)CN(C)CCCCCO 269982a_100000722520_100000188475 [0,1,0,0,0,0|2,0,0]=3 1205 B13R0.330 CCOC(=O)CN(C)CCCCOC 2230a_100000220588_100000730899 [0,1,0,0,0,0|2,0,0]=3 1206 B13R0.330 CCOC(=O)CN(C)CCOCCO 2230a_100000220588_100011215305 [0,1,0,0,0,0|3,0,0]=4 1207 B13R0.330 CCOC(=O)CN(C)CCOCCO 2230a_100000228057_100000188475 [0,1,0,0,0,0|3,0,0]=4 1208 B13R0.330 CCOC(=O)CN(C)CCOCCO 269982a_100000228057_100000188475 [0,1,0,0,0,0|3,0,0]=4 1209 B13R0.330 CCOC(=O)CN(C)COCCOC 2230a_100000220588_100000231047 [0,1,0,0,0,0|3,0,0]=4 1210 B13R0.330 CCOC(=O)C[C@@H](C)OCCCC#N 7a_100009816390_100000687738 [0,1,0,0,0,0|2,0,1]=4 1211 B13R0.330 CCOC(=O)C[C@@H](C)OCCCC=O 7a_100009816390_200011292268 [0,1,0,0,0,0|2,0,1]=4 1212 B13R0.330 CCOC(=O)C[C@@H](C)OCCCCF 7a_100009816390_100000729493 [0,1,0,0,0,0|2,0,0]=3 1213 B13R0.330 CCOC(=O)C[C@@H](C)OCCCCO 7a_100009816390_100000210776 [0,1,0,0,0,0|2,0,0]=3 1214 B13R0.330 CCOC(=O)C[C@@H](C)OCCCOC 7a_100009816390_100000740836 [0,1,0,0,0,0|2,0,0]=3 1215 B13R0.330 CCOC(=O)C[C@@H](C)OCCSCC 7a_100009816390_100000757381 [0,1,0,0,0,0|2,0,0]=3 1216 B13R0.330 CCOC(=O)C[C@H](O)CNCCCF 34a_100015189416_100000688340 [0,1,0,0,0,0|1,0,0]=2 1217 B13R0.330 CCOC(=O)C[C@H](O)COCCCBr 34a_100011217188_100000688340 [0,1,0,0,0,0|1,0,0]=2 1218 B13R0.330 CCOC(=O)C[C@H](O)COCCCCl 34a_100000230001_100000688340 [0,1,0,0,0,0|1,0,0]=2 1219 B13R0.330 CCOC(=O)C[C@H](O)COCCCF 34a_100000759539_100000688340 [0,1,0,0,0,0|1,0,0]=2 1220 B13R0.330 CCOC(=O)C[C@H](O)COCCCN 34a_100000182051_100000688340 [0,1,0,0,0,0|1,0,0]=2 1221 B13R0.330 CCOC(=O)C[C@H](O)COCCOC 34a_100000210237_100000688340 [0,1,0,0,0,0|1,0,0]=2 1222 B13R0.330 CCOC(=O)C[C@H](O)COCCON 34a_100000700252_100000688340 [0,1,0,0,0,0|2,0,0]=3 1223 B13R0.330 CCOC(=O)C[C@H](O)COCCSC 34a_100000230434_100000688340 [0,1,0,0,0,0|1,0,0]=2 1224 B13R0.330 CCOC(=O)C[C@H](O)COCCSC 7a_100000230434_100000688340 [0,1,0,0,0,0|1,0,0]=2 1225 B13R0.330 CCOC(=O)C[C@H](O)CSCCC#N 62a_100000688340_100011215226 [0,1,0,0,0,0|1,0,1]=3 1226 B13R0.330 CCOC(=O)C[C@H](O)CSCCC#N 62a_100011215226_100000688340 [0,1,0,0,0,0|1,0,1]=3 1227 B13R0.330 CCOC(=O)C[C@H](O)CSCCCF 62a_100000688340_100011934791 [0,1,0,0,0,0|1,0,0]=2 1228 B13R0.330 CCOC(=O)C[C@H](O)CSCCCF 62a_100011934791_100000688340 [0,1,0,0,0,0|1,0,0]=2 1229 B13R0.330 CCOC(=O)C[C@H](O)CSCCCO 62a_100000688340_100011215043 [0,1,0,0,0,0|1,0,0]=2 1230 B13R0.330 CCOC(=O)C[C@H](O)CSCCCO 62a_100011215043_100000688340 [0,1,0,0,0,0|1,0,0]=2 1231 B13R0.330 CCOC(=O)C[C@H](O)CSCCOC 62a_100000233755_100000688340 [0,1,0,0,0,0|1,0,0]=2 1232 B13R0.330 CCOC(=O)C[C@H](O)CSCCOC 62a_100000688340_100000233755 [0,1,0,0,0,0|1,0,0]=2 1233 B13R0.330 CCOC(=O)C[C@H](O)CSCCSC 62a_100000212216_100000688340 [0,1,0,0,0,0|1,0,0]=2 1234 B13R0.330 CCOC(=O)C[C@H](O)CSCCSC 62a_100000688340_100000751147 [0,1,0,0,0,0|1,0,0]=2 1235 B13R0.330 CCOC(=O)C[C@H](O)CSCSC#N 62a_100000211825_100000688340 [0,1,0,0,0,0|2,0,1]=4 1236 B13R0.330 CCOC(=O)C[C@H](O)CSCSC#N 62a_100000688340_100000211825 [0,1,0,0,0,0|2,0,1]=4 1237 B13R0.330 CCOC(=O)OC(C)SCCCCF 62a_100000036008_100000729493 [0,1,0,0,0,0|3,0,0]=4 1238 B13R0.330 CCOC(=O)OC(C)SCCCCF 62a_100000729493_100000036008 [0,1,0,0,0,0|3,0,0]=4 1239 B13R0.330 CCOC(=O)OC(C)SCCCCO 62a_100000036008_100000210776 [0,1,0,0,0,0|3,0,0]=4 1240 B13R0.330 CCOC(=O)OC(C)SCCCCO 62a_100000210776_100000036008 [0,1,0,0,0,0|3,0,0]=4 1241 B13R0.330 CCOC(=O)OC(C)SCCCOC 62a_100000036008_100000709357 [0,1,0,0,0,0|3,0,0]=4 1242 B13R0.330 CCOC(=O)OC(C)SCCCOC 62a_100000709357_100000036008 [0,1,0,0,0,0|3,0,0]=4 1243 B13R0.330 CCOC(=O)OC(C)SCCSCC 62a_100000036008_100000757381 [0,1,0,0,0,0|3,0,0]=4 1244 B13R0.330 CCOC(=O)OC(C)SCCSCC 62a_100000757381_100000036008 [0,1,0,0,0,0|3,0,0]=4 1245 B13R0.330 CCOCCCC(=O)CC(=O)OCC 1458a_100000243816_100012232248 [0,1,0,0,0,0|0,0,2]=3 1246 B13R0.330 CCOCCCN(C)CC(=O)OCC 2230a_100000220588_100012232248 [0,1,0,0,0,0|2,0,0]=3 1247 B13R0.330 CCOCCNC(=O)CC(=O)OCC 240690a_100011200944_100000243816 [0,1,0,0,0,0|1,0,2]=4 1248 B13R0.330 CCOCCNC(C)CC(=O)OCC 2230a_102516460346_100009817359 [0,1,0,0,0,0|2,0,0]=3 1249 B13R0.330 CCOCCOC(C)CC(=O)OCC 7a_100000210136_100009817359 [0,1,0,0,0,0|2,0,0]=3 1250 B13R0.330 CCOCCO[C@H](C)CC(=O)OCC 7a_100009816390_100011215890 [0,1,0,0,0,0|2,0,0]=3 1251 B13R0.330 CCOCCSC(C)CC(=O)OCC 62a_100000210147_100009817359 [0,1,0,0,0,0|2,0,0]=3 1252 B13R0.330 CCOCCSC(C)CC(=O)OCC 62a_100009817359_100011215890 [0,1,0,0,0,0|2,0,0]=3 1253 B13R0.330 CCOCCSC(C)OC(=O)OCC 62a_100000036008_100011215890 [0,1,0,0,0,0|3,0,0]=4 1254 B13R0.330 CCOCCSC(C)OC(=O)OCC 62a_100000210147_100000036008 [0,1,0,0,0,0|3,0,0]=4 1255 B13R0.330 CCOCSCC(=O)CC(=O)OCC 62a_100000210311_100000739092 [0,1,0,0,0,0|1,0,2]=4 1256 B13R0.330 CCOCSCC(=O)CC(=O)OCC 62a_100000739092_100000210311 [0,1,0,0,0,0|1,0,2]=4 1257 B13R0.330 CCOCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000739092 [0,1,0,0,0,0|1,0,0]=2 1258 B13R0.330 CCOCSC[C@@H](O)CC(=O)OCC 62a_100000739092_100000688340 [0,1,0,0,0,0|1,0,0]=2 1259 B13R0.331 C=C(C)CCO[C@H](C)CC(=O)OCC 7a_100009816390_100000730704 [0,1,0,0,0,0|2,0,1]=4 1260 B13R0.331 C=C(C)CCSC(C)CC(=O)OCC 62a_100000730704_100009817359 [0,1,0,0,0,0|2,0,1]=4 1261 B13R0.331 C=C(C)CCSC(C)CC(=O)OCC 62a_100009817359_100000730704 [0,1,0,0,0,0|2,0,1]=4 1262 B13R0.331 C=C(C)COC[C@@H](O)CC(=O)OCC 34a_100000210245_100000688340 [0,1,0,0,0,0|1,0,1]=3 1263 B13R0.331 C=C(C)CSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000211660 [0,1,0,0,0,0|1,0,1]=3 1264 B13R0.331 C=C(C)CSC[C@@H](O)CC(=O)OCC 62a_100000748629_100000688340 [0,1,0,0,0,0|1,0,1]=3 1265 B13R0.331 C=C(F)COC[C@@H](O)CC(=O)OCC 34a_200010262243_100000688340 [0,1,0,0,0,0|1,0,2]=4 1266 B13R0.331 C=C(F)CSC[C@@H](O)CC(=O)OCC 62a_100000042424_100000688340 [0,1,0,0,0,0|1,0,2]=4 1267 B13R0.331 C=C(F)CSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000042424 [0,1,0,0,0,0|1,0,2]=4 1268 B13R0.331 CCCC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000747444 [0,1,0,0,0,0|1,0,2]=4 1269 B13R0.331 CCCC(=O)NC(C)CCCC(C)C 11a_100000210607_100000211992 [0,1,0,0,0,0|3,0,0]=4 1270 B13R0.331 CCCC(=O)NC(C)CCCC(C)C 1626a_100000210607_100000211992 [0,1,0,0,0,0|3,0,0]=4 1271 B13R0.331 CCCC(=O)NC(C)CCCC(C)C 240690a_100000210607_100000211992 [0,1,0,0,0,0|3,0,0]=4 1272 B13R0.331 CCCC(=O)NC(C)CCCC(C)C 527a_100000210607_100000211992 [0,1,0,0,0,0|3,0,0]=4 1273 B13R0.331 CCNC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000183381 [0,1,0,0,0,0|1,0,2]=4 1274 B13R0.331 CCNC(=O)CN(C)CCCC(C)C 2230a_100000741943_100011214892 [0,1,0,0,0,0|3,0,0]=4 1275 B13R0.331 CCNC(=O)CN(C)CCCC(C)C 269982a_100000741943_100011214892 [0,1,0,0,0,0|3,0,0]=4 1276 B13R0.331 CCNC(=O)CN(C)CCCC(C)O 2230a_100000741943_200000718107 [0,1,0,0,0,0|3,0,0]=4 1277 B13R0.331 CCNC(=O)CN(C)CCCC(C)O 269982a_100000741943_200000718107 [0,1,0,0,0,0|3,0,0]=4 1278 B13R0.331 CCNC(=O)NC(C)CCCC(C)C 2708a_100000210607_100015525214 [0,1,0,0,0,0|3,0,0]=4 1279 B13R0.331 CCNC(=O)NC(C)CCCC(C)C 2708a_100015525214_100000210607 [0,1,0,0,0,0|3,0,0]=4 1280 B13R0.331 CCNC(=O)NC(C)CCCC(C)C 273464a_100000210607_100015525214 [0,1,0,0,0,0|3,0,0]=4 1281 B13R0.331 CCNC(=O)NC(C)CCCC(C)C 512a_100000210607_100015525214 [0,1,0,0,0,0|3,0,0]=4 1282 B13R0.331 CCNC(=O)NC(C)CCCC(C)C 512a_100015525214_100000210607 [0,1,0,0,0,0|3,0,0]=4 1283 B13R0.331 CCOC(=O)CC(=O)CCCC(=O)C 1458a_100000243816_100011215641 [0,1,0,0,0,0|0,0,3]=4 1284 B13R0.331 CCOC(=O)CC(=O)CCCC(C)C 1458a_100000243816_100011214892 [0,1,0,0,0,0|0,0,2]=3 1285 B13R0.331 CCOC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000188475 [0,1,0,0,0,0|0,0,2]=3 1286 B13R0.331 CCOC(=O)CC(=O)CCCC(C)O 1458a_100000243816_200000718107 [0,1,0,0,0,0|0,0,2]=3 1287 B13R0.331 CCOC(=O)CC(=O)CCCN(C)C 1458a_100000243816_100000695564 [0,1,0,0,0,0|1,0,2]=4 1288 B13R0.331 CCOC(=O)CC(=O)CCOC(C)C 1458a_100000243816_100000211751 [0,1,0,0,0,0|1,0,2]=4 1289 B13R0.331 CCOC(=O)CC(=O)CCSC(C)C 1458a_100000243816_100000730970 [0,1,0,0,0,0|1,0,2]=4 1290 B13R0.331 CCOC(=O)CC(=O)COCC(C)C 1458a_100011223364_100000188475 [0,1,0,0,0,0|1,0,2]=4 1291 B13R0.331 CCOC(=O)CC(=O)CSCC(C)C 62a_100000210311_100000210760 [0,1,0,0,0,0|1,0,2]=4 1292 B13R0.331 CCOC(=O)CC(=O)CSCC(C)C 62a_100000210624_100000210311 [0,1,0,0,0,0|1,0,2]=4 1293 B13R0.331 CCOC(=O)CC(=O)CSCC(C)O 62a_100000210311_100011218427 [0,1,0,0,0,0|1,0,2]=4 1294 B13R0.331 CCOC(=O)CC(=O)CSCC(C)O 62a_100011218427_100000210311 [0,1,0,0,0,0|1,0,2]=4 1295 B13R0.331 CCOC(=O)CC(=O)CSC[C@@H](C)O 62a_100000210311_100009817552 [0,1,0,0,0,0|1,0,2]=4 1296 B13R0.331 CCOC(=O)CC(=O)CSC[C@@H](C)O 62a_100009817552_100000210311 [0,1,0,0,0,0|1,0,2]=4 1297 B13R0.331 CCOC(=O)CC(=O)NCCC(C)C 240690a_100000210545_100000243816 [0,1,0,0,0,0|1,0,2]=4 1298 B13R0.331 CCOC(=O)CC(=O)NCCC(C)O 240690a_200000755665_100000243816 [0,1,0,0,0,0|1,0,2]=4 1299 B13R0.331 CCOC(=O)CC(C)NCCC(C)O 2230a_200000755665_100009817359 [0,1,0,0,0,0|2,0,0]=3 1300 B13R0.331 CCOC(=O)CC(C)OCCC(=O)C 7a_100000759926_100009817359 [0,1,0,0,0,0|2,0,1]=4 1301 B13R0.331 CCOC(=O)CC(C)OCCC(C)C 7a_100000210254_100009817359 [0,1,0,0,0,0|2,0,0]=3 1302 B13R0.331 CCOC(=O)CC(C)SCCC(=O)C 62a_100000053229_100009817359 [0,1,0,0,0,0|2,0,1]=4 1303 B13R0.331 CCOC(=O)CC(C)SCCC(=O)C 62a_100009817359_100000053229 [0,1,0,0,0,0|2,0,1]=4 1304 B13R0.331 CCOC(=O)CC(C)SCCC(C)C 62a_100000210312_100009817359 [0,1,0,0,0,0|2,0,0]=3 1305 B13R0.331 CCOC(=O)CC(C)SCCC(C)C 62a_100009817359_100000210312 [0,1,0,0,0,0|2,0,0]=3 1306 B13R0.331 CCOC(=O)CC(C)SCCC(C)O 62a_100009817359_100012276601 [0,1,0,0,0,0|2,0,0]=3 1307 B13R0.331 CCOC(=O)CC(C)SCCC(C)O 62a_100012276601_100009817359 [0,1,0,0,0,0|2,0,0]=3 1308 B13R0.331 CCOC(=O)CC(C)SCCN(C)C 62a_100009817359_100000755713 [0,1,0,0,0,0|3,0,0]=4 1309 B13R0.331 CCOC(=O)CC(C)SCOC(C)C 62a_100000709892_100009817359 [0,1,0,0,0,0|3,0,0]=4 1310 B13R0.331 CCOC(=O)CC(C)SCOC(C)C 62a_100009817359_100000709892 [0,1,0,0,0,0|3,0,0]=4 1311 B13R0.331 CCOC(=O)CN(C)CCCC(C)C 2230a_100000220588_100011214892 [0,1,0,0,0,0|2,0,0]=3 1312 B13R0.331 CCOC(=O)CN(C)CCCC(C)O 2230a_100000220588_200000718107 [0,1,0,0,0,0|2,0,0]=3 1313 B13R0.331 CCOC(=O)CN(C)CCCN(C)C 269982a_100000225831_100000188475 [0,1,0,0,0,0|3,0,0]=4 1314 B13R0.331 CCOC(=O)CN(C)CCOC(C)C 2230a_100000220588_100000211751 [0,1,0,0,0,0|3,0,0]=4 1315 B13R0.331 CCOC(=O)CN(C)CCSC(C)C 2230a_100000220588_100000730970 [0,1,0,0,0,0|3,0,0]=4 1316 B13R0.331 CCOC(=O)C[C@@H](C)OCCC(=O)C 7a_100009816390_100000053229 [0,1,0,0,0,0|2,0,1]=4 1317 B13R0.331 CCOC(=O)C[C@@H](C)OCCC(C)C 7a_100009816390_100000210626 [0,1,0,0,0,0|2,0,0]=3 1318 B13R0.331 CCOC(=O)C[C@@H](C)OCCC(C)O 7a_100009816390_100012276601 [0,1,0,0,0,0|2,0,0]=3 1319 B13R0.331 CCOC(=O)C[C@@H](C)OCCN(C)C 7a_100009816390_100000755713 [0,1,0,0,0,0|3,0,0]=4 1320 B13R0.331 CCOC(=O)C[C@H](O)CCNC(=O)C 188690a_200020634500_100015343762 [0,1,0,0,0,0|1,0,1]=3 1321 B13R0.331 CCOC(=O)C[C@H](O)CNCC(=O)O 269956a_100016091260_100000688340 [0,1,0,0,0,0|2,0,1]=4 1322 B13R0.331 CCOC(=O)C[C@H](O)CNCC(C)C 34a_100000210953_100000688340 [0,1,0,0,0,0|1,0,0]=2 1323 B13R0.331 CCOC(=O)C[C@H](O)CNCC(C)O 34a_100000210904_100000688340 [0,1,0,0,0,0|1,0,0]=2 1324 B13R0.331 CCOC(=O)C[C@H](O)CNCC(F)F 34a_100000765723_100000688340 [0,1,0,0,0,0|2,0,0]=3 1325 B13R0.331 CCOC(=O)C[C@H](O)COCC(=O)C 34a_100000211253_100000688340 [0,1,0,0,0,0|1,0,1]=3 1326 B13R0.331 CCOC(=O)C[C@H](O)COCC(C)Br 34a_100012180447_100000688340 [0,1,0,0,0,0|1,0,0]=2 1327 B13R0.331 CCOC(=O)C[C@H](O)COCC(C)C 34a_100000210257_100000688340 [0,1,0,0,0,0|1,0,0]=2 1328 B13R0.331 CCOC(=O)C[C@H](O)COCC(C)F 34a_100015925927_100000688340 [0,1,0,0,0,0|1,0,0]=2 1329 B13R0.331 CCOC(=O)C[C@H](O)COCC(F)F 34a_100000743014_100000688340 [0,1,0,0,0,0|2,0,0]=3 1330 B13R0.331 CCOC(=O)C[C@H](O)COC[C@@H](C)Cl 34a_100016084084_100000688340 [0,1,0,0,0,0|1,0,0]=2 1331 B13R0.331 CCOC(=O)C[C@H](O)COC[C@@H](C)N 34a_100000737577_100000688340 [0,1,0,0,0,0|1,0,0]=2 1332 B13R0.331 CCOC(=O)C[C@H](O)CSCC(=O)N 62a_100000688340_100000747473 [0,1,0,0,0,0|2,0,1]=4 1333 B13R0.331 CCOC(=O)C[C@H](O)CSCC(=O)N 62a_100000747473_100000688340 [0,1,0,0,0,0|2,0,1]=4 1334 B13R0.331 CCOC(=O)C[C@H](O)CSCC(=O)[O-] 62a_100000688340_100020667443 [0,1,0,0,0,0|2,0,1]=4 1335 B13R0.331 CCOC(=O)C[C@H](O)CSCC(=O)[O-] 62a_100020667443_100000688340 [0,1,0,0,0,0|2,0,1]=4 1336 B13R0.331 CCOC(=O)C[C@H](O)CSCC(C)C 62a_100000210624_100000688340 [0,1,0,0,0,0|1,0,0]=2 1337 B13R0.331 CCOC(=O)C[C@H](O)CSCC(C)C 62a_100000688340_100000210760 [0,1,0,0,0,0|1,0,0]=2 1338 B13R0.331 CCOC(=O)C[C@H](O)CSCC(C)O 62a_100000688340_100011218427 [0,1,0,0,0,0|1,0,0]=2 1339 B13R0.331 CCOC(=O)C[C@H](O)CSCC(C)O 62a_100011218427_100000688340 [0,1,0,0,0,0|1,0,0]=2 1340 B13R0.331 CCOC(=O)C[C@H](O)CSCC(F)F 62a_100000688340_100011934356 [0,1,0,0,0,0|2,0,0]=3 1341 B13R0.331 CCOC(=O)C[C@H](O)CSCC(F)F 62a_100011934356_100000688340 [0,1,0,0,0,0|2,0,0]=3 1342 B13R0.331 CCOC(=O)C[C@H](O)CSC[C@@H](C)O 62a_100000688340_100009817552 [0,1,0,0,0,0|1,0,0]=2 1343 B13R0.331 CCOC(=O)C[C@H](O)CSC[C@@H](C)O 62a_100009817552_100000688340 [0,1,0,0,0,0|1,0,0]=2 1344 B13R0.331 CCOC(=O)C[C@H](O)CSC[N+](=O)[O-] 62a_100000688340_100000761209 [0,1,0,0,0,0|3,0,0]=4 1345 B13R0.331 CCOC(=O)OC(C)SCCC(C)C 62a_100000036008_100000210312 [0,1,0,0,0,0|3,0,0]=4 1346 B13R0.331 CCOC(=O)OC(C)SCCC(C)C 62a_100000210312_100000036008 [0,1,0,0,0,0|3,0,0]=4 1347 B13R0.331 CCOC(=O)OC(C)SCCC(C)O 62a_100000036008_100012276601 [0,1,0,0,0,0|3,0,0]=4 1348 B13R0.331 CCOC(=O)OC(C)SCCC(C)O 62a_100012276601_100000036008 [0,1,0,0,0,0|3,0,0]=4 1349 B13R0.333 CC(C)OC(=O)CC(=O)CCCCO 1458a_100000695505_100011215430 [0,1,0,0,0,0|1,0,2]=4 1350 B13R0.333 CC(C)OC(=O)CN(C)CCCCO 2230a_100000717598_100011215430 [0,1,0,0,0,0|3,0,0]=4 1351 B13R0.333 CC(C)OC(=O)CN(C)CCCCO 269982a_100000717598_100011215430 [0,1,0,0,0,0|3,0,0]=4 1352 B13R0.333 CCCCCC(=O)CC(=O)CC(C)C 1458a_100000210554_200012276598 [0,1,0,0,0,0|1,0,2]=4 1353 B13R0.333 CCCCCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_200012276598 [0,1,0,0,0,0|1,0,2]=4 1354 B13R0.333 CCCCCC(=O)CC(=O)NC(C)C 1458a_100000212188_100000183996 [0,1,0,0,0,0|1,0,2]=4 1355 B13R0.333 CCCCCC(=O)CC(=O)OC(C)C 1458a_100000212188_100011215430 [0,1,0,0,0,0|0,0,2]=3 1356 B13R0.333 CCCCCC(C)NC(=O)CC(C)C 11a_100000211957_100000210554 [0,1,0,0,0,0|3,0,0]=4 1357 B13R0.333 CCCCCC(C)NC(=O)CC(C)C 1626a_100000211957_100000210554 [0,1,0,0,0,0|3,0,0]=4 1358 B13R0.333 CCCCCC(C)NC(=O)CC(C)C 240690a_100000211957_100000210554 [0,1,0,0,0,0|3,0,0]=4 1359 B13R0.333 CCCCCC(C)NC(=O)CC(C)C 527a_100000211957_100000210554 [0,1,0,0,0,0|3,0,0]=4 1360 B13R0.333 CCCCCC(C)NC(=O)C[C@@H](C)O 240690a_100000211957_100011933948 [0,1,0,0,0,0|3,0,0]=4 1361 B13R0.333 CCCCCC(C)NC(=O)NC(C)C 2708a_100000211957_100138425928 [0,1,0,0,0,0|3,0,0]=4 1362 B13R0.333 CCCCCC(C)NC(=O)NC(C)C 2708a_100138425928_100000211957 [0,1,0,0,0,0|3,0,0]=4 1363 B13R0.333 CCCCCC(C)NC(=O)NC(C)C 273464a_100138425928_100000211957 [0,1,0,0,0,0|3,0,0]=4 1364 B13R0.333 CCCCCC(C)NC(=O)NC(C)C 512a_100000211957_100138425928 [0,1,0,0,0,0|3,0,0]=4 1365 B13R0.333 CCCCCC(C)NC(=O)NC(C)C 512a_100138425928_100000211957 [0,1,0,0,0,0|3,0,0]=4 1366 B13R0.333 CCCCCN(C)CC(=O)NC(C)C 2230a_100000168146_100000210326 [0,1,0,0,0,0|3,0,0]=4 1367 B13R0.333 CCCCCN(C)CC(=O)NC(C)C 2230a_100000223495_100000183996 [0,1,0,0,0,0|3,0,0]=4 1368 B13R0.333 CCCCCN(C)CC(=O)NC(C)C 269982a_100000168146_100000210215 [0,1,0,0,0,0|3,0,0]=4 1369 B13R0.333 CCCCCN(C)CC(=O)NC(C)C 269982a_100000223495_100000183996 [0,1,0,0,0,0|3,0,0]=4 1370 B13R0.333 CCCCCN(C)CC(=O)OC(C)C 2230a_100000223495_100011215430 [0,1,0,0,0,0|2,0,0]=3 1371 B13R0.333 CCCCCN(C)CC(=O)OC(C)C 269982a_100000223495_100011215430 [0,1,0,0,0,0|2,0,0]=3 1372 B13R0.333 CCCCNC(C)OC(=O)OC(C)C 7a_106832991798_100000067433 [0,1,0,0,0,0|3,0,0]=4 1373 B13R0.333 CCCCOC(C)OC(=O)OC(C)C 7a_100000210227_100000067433 [0,1,0,0,0,0|3,0,0]=4 1374 B13R0.333 CCCCSC(C)OC(=O)OC(C)C 62a_100000067433_100000210210 [0,1,0,0,0,0|3,0,0]=4 1375 B13R0.333 CCCCSC(C)OC(=O)OC(C)C 62a_100000210211_100000067433 [0,1,0,0,0,0|3,0,0]=4 1376 B13R0.333 CCCOCC(=O)CC(=O)OC(C)C 1458a_100000745993_100011215430 [0,1,0,0,0,0|1,0,2]=4 1377 B13R0.333 CCCSCC(=O)CC(=O)OC(C)C 1458a_100000217233_100011215430 [0,1,0,0,0,0|1,0,2]=4 1378 B13R0.333 CCOCCC(=O)CC(=O)OC(C)C 1458a_100000749530_100011215430 [0,1,0,0,0,0|1,0,2]=4 1379 B13R0.333 CCSCCC(=O)CC(=O)OC(C)C 1458a_100000230768_100011215430 [0,1,0,0,0,0|1,0,2]=4 1380 B13R0.333 COCCCC(=O)CC(=O)OC(C)C 1458a_100000741012_100011215430 [0,1,0,0,0,0|1,0,2]=4 1381 B13R0.333 COCCCN(C)CC(=O)OC(C)C 2230a_100000224831_100011215430 [0,1,0,0,0,0|3,0,0]=4 1382 B13R0.333 COCCCN(C)CC(=O)OC(C)C 269982a_100000224831_100011215430 [0,1,0,0,0,0|3,0,0]=4 1383 B13R0.333 CSCCCC(=O)CC(=O)OC(C)C 1458a_100000173376_100011215430 [0,1,0,0,0,0|1,0,2]=4 1384 B13R0.809 CCCCNS(=O)(=O)CC(=O)OCC 270084a_100000102301_100000738689 [0,1,0,0,0,0|2,0,1]=4 1385 B13R0.809 CCCCNS(=O)(=O)CC(=O)OCC 274078a_100000102301_100000738689 [0,1,0,0,0,0|2,0,1]=4 1386 B13R0.809 CCCCOC(C)(C)CC(=O)OCC 7a_100000765344_100000210211 [0,1,0,0,0,0|2,0,0]=3 1387 B13R0.809 CCOC(=O)CC(C)(C)OCCCF 7a_100000765344_100011934791 [0,1,0,0,0,0|3,0,0]=4 1388 B13R0.809 CCOC(=O)CC(C)(C)OCCCO 7a_100000765344_100011215043 [0,1,0,0,0,0|3,0,0]=4 1389 B13R0.809 CCOC(=O)CC(C)(C)OCCOC 7a_100000765344_100000233755 [0,1,0,0,0,0|3,0,0]=4 1390 B13R0.809 CCOC(=O)CC(C)(C)OCCSC 7a_100000765344_100000212216 [0,1,0,0,0,0|3,0,0]=4 1391 B13R0.1051 CCCCCN(CC)CC(=O)OCC 2230a_100000220607_100000210326 [0,1,0,0,0,0|2,0,0]=3 1392 B13R0.1051 CCCCCN(CC)CC(=O)OCC 269982a_100000220607_100000210215 [0,1,0,0,0,0|2,0,0]=3 1393 B13R0.1051 CCCCO[C@H](CCl)CC(=O)OCC 7a_100000688340_100000210211 [0,1,0,0,0,0|2,0,0]=3 1394 B13R0.1051 CCOC(=O)CN(CC)CCCCF 2230a_100000220607_100000729493 [0,1,0,0,0,0|3,0,0]=4 1395 B13R0.1051 CCOC(=O)CN(CC)CCCCF 269982a_100000220607_100000729493 [0,1,0,0,0,0|3,0,0]=4 1396 B13R0.1051 CCOC(=O)CN(CC)CCCCO 2230a_100000220607_100000210776 [0,1,0,0,0,0|3,0,0]=4 1397 B13R0.1051 CCOC(=O)CN(CC)CCCCO 2230a_100011217355_100000188475 [0,1,0,0,0,0|3,0,0]=4 1398 B13R0.1051 CCOC(=O)CN(CC)CCCCO 269982a_100000220607_100000210776 [0,1,0,0,0,0|3,0,0]=4 1399 B13R0.1051 CCOC(=O)CN(CC)CCCCO 269982a_100011217355_100000188475 [0,1,0,0,0,0|3,0,0]=4 1400 B13R0.1051 CCOC(=O)CN(CC)CCCOC 2230a_100000220607_100000740836 [0,1,0,0,0,0|3,0,0]=4 1401 B13R0.1051 CCOC(=O)CN(CC)CCCOC 269982a_100000220607_100000740836 [0,1,0,0,0,0|3,0,0]=4 1402 B13R0.1051 CCOC(=O)CN(CC)CCSCC 2230a_100000220607_100000757381 [0,1,0,0,0,0|3,0,0]=4 1403 B13R0.1051 CCOC(=O)CN(CC)CCSCC 269982a_100000220607_100000757381 [0,1,0,0,0,0|3,0,0]=4 1404 B13R0.1051 CCOC(=O)C[C@@H](CCl)OCCCF 7a_100000688340_100011934791 [0,1,0,0,0,0|3,0,0]=4 1405 B13R0.1051 CCOC(=O)C[C@@H](CCl)OCCCO 7a_100000688340_100011215043 [0,1,0,0,0,0|3,0,0]=4 1406 B13R0.1051 CCOC(=O)C[C@@H](CCl)OCCOC 7a_100000688340_100000233755 [0,1,0,0,0,0|3,0,0]=4 1407 B13R0.1051 CCOC(=O)C[C@@H](CCl)OCCSC 7a_100000688340_100000212216 [0,1,0,0,0,0|3,0,0]=4 1408 B13R0.1051 CCOCCN(CC)CC(=O)OCC 2230a_100000220607_100011215890 [0,1,0,0,0,0|3,0,0]=4 1409 B13R0.1051 CCOCCN(CC)CC(=O)OCC 269982a_100000220607_100011215890 [0,1,0,0,0,0|3,0,0]=4 1410 B13R0.1283 CCCCCC(=O)C(C)C(=O)NCC 1458a_100000212188_100000230173 [0,1,0,0,0,0|1,0,2]=4 1411 B13R0.1283 CCCCCC(=O)C(C)C(=O)OCC 1458a_100000212188_100011216346 [0,1,0,0,0,0|0,0,2]=3 1412 B13R0.1283 CCCCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000210326 [0,1,0,0,0,0|0,0,2]=3 1413 B13R0.1283 CCCCCC(=O)C(F)C(=O)OCC 1458a_100000212188_100000760018 [0,1,0,0,0,0|0,0,2]=3 1414 B13R0.1283 CCCCCC(C)C(=O)C(=O)NCC 1458a_200011297158_200011218191 [0,1,0,0,0,0|2,0,1]=4 1415 B13R0.1283 CCCCCN(C)C(=O)C(=O)OCC 11a_100000223495_100014798877 [0,1,0,0,0,0|2,0,1]=4 1416 B13R0.1283 CCCCCN(C)C(=O)C(=O)OCC 1626a_100000223495_100014798877 [0,1,0,0,0,0|2,0,1]=4 1417 B13R0.1283 CCCCCN(C)C(=O)C(=O)OCC 240690a_100000223495_100014798877 [0,1,0,0,0,0|2,0,1]=4 1418 B13R0.1283 CCCCCN(C)C(C)C(=O)NCC 2230a_100000223495_100000230173 [0,1,0,0,0,0|3,0,0]=4 1419 B13R0.1283 CCCCCN(C)C(C)C(=O)NCC 269982a_100000223495_100000230173 [0,1,0,0,0,0|3,0,0]=4 1420 B13R0.1283 CCCCCN(C)C(C)C(=O)OCC 2230a_100000223495_100011215307 [0,1,0,0,0,0|2,0,0]=3 1421 B13R0.1283 CCCCCN(C)C(C)C(=O)OCC 269982a_100000223495_100011216346 [0,1,0,0,0,0|2,0,0]=3 1422 B13R0.1283 CCCCCN(C)C(F)C(=O)OCC 2230a_100000223495_100000760018 [0,1,0,0,0,0|2,0,0]=3 1423 B13R0.1283 CCCCCN(C)C(F)C(=O)OCC 269982a_100000223495_100000760018 [0,1,0,0,0,0|2,0,0]=3 1424 B13R0.1283 CCCCNC(=O)C(C)C(=O)OCC 11a_100000102301_100132301724 [0,1,0,0,0,0|1,0,2]=4 1425 B13R0.1283 CCCCNC(=O)C(C)C(=O)OCC 1626a_100000102301_100132301724 [0,1,0,0,0,0|1,0,2]=4 1426 B13R0.1283 CCCCNC(=O)C(C)C(=O)OCC 240690a_100000102301_100132301724 [0,1,0,0,0,0|1,0,2]=4 1427 B13R0.1283 CCCCNC(=O)C(C)C(=O)OCC 527a_100000102301_100132301724 [0,1,0,0,0,0|1,0,2]=4 1428 B13R0.1283 CCCCNC(C)C(=O)C(=O)OCC 2230a_100000102301_100010256902 [0,1,0,0,0,0|2,0,1]=4 1429 B13R0.1283 CCCCSC(C)C(=O)C(=O)OCC 62a_100000210211_100010256902 [0,1,0,0,0,0|2,0,1]=4 1430 B13R0.1283 CCCCSC(C)C(=O)C(=O)OCC 62a_100010256902_100000210210 [0,1,0,0,0,0|2,0,1]=4 1431 B13R0.1283 CCCOCC(=O)C(C)C(=O)OCC 1458a_100000745993_100011216346 [0,1,0,0,0,0|1,0,2]=4 1432 B13R0.1283 CCCOCC(=O)C(F)C(=O)OCC 1458a_100000745993_100000760018 [0,1,0,0,0,0|1,0,2]=4 1433 B13R0.1283 CCCSCC(=O)C(C)C(=O)OCC 1458a_100000217233_100011216346 [0,1,0,0,0,0|1,0,2]=4 1434 B13R0.1283 CCCSCC(=O)C(F)C(=O)OCC 1458a_100000217233_100000760018 [0,1,0,0,0,0|1,0,2]=4 1435 B13R0.1283 CCOC(=O)C(C)C(=O)CCCCF 1458a_100132301724_100000729493 [0,1,0,0,0,0|1,0,2]=4 1436 B13R0.1283 CCOC(=O)C(C)C(=O)CCCCO 1458a_100000695505_100011216346 [0,1,0,0,0,0|1,0,2]=4 1437 B13R0.1283 CCOC(=O)C(C)C(=O)CCCCO 1458a_100132301724_100000210776 [0,1,0,0,0,0|1,0,2]=4 1438 B13R0.1283 CCOC(=O)C(C)C(=O)CCCOC 1458a_100000741012_100011216346 [0,1,0,0,0,0|1,0,2]=4 1439 B13R0.1283 CCOC(=O)C(C)C(=O)CCCOC 1458a_100132301724_100000740836 [0,1,0,0,0,0|1,0,2]=4 1440 B13R0.1283 CCOC(=O)C(C)C(=O)CCCSC 1458a_100000173376_100011216346 [0,1,0,0,0,0|1,0,2]=4 1441 B13R0.1283 CCOC(=O)C(C)C(=O)CCSCC 1458a_100000230768_100011216346 [0,1,0,0,0,0|1,0,2]=4 1442 B13R0.1283 CCOC(=O)C(C)C(=O)CCSCC 1458a_100132301724_100000757381 [0,1,0,0,0,0|1,0,2]=4 1443 B13R0.1283 CCOC(=O)C(C)N(C)CCCCO 2230a_100000717598_100011215307 [0,1,0,0,0,0|3,0,0]=4 1444 B13R0.1283 CCOC(=O)C(C)N(C)CCCCO 269982a_100000717598_100011216346 [0,1,0,0,0,0|3,0,0]=4 1445 B13R0.1283 CCOC(=O)C(C)N(C)CCCOC 2230a_100000224831_100011215307 [0,1,0,0,0,0|3,0,0]=4 1446 B13R0.1283 CCOC(=O)C(C)N(C)CCCOC 269982a_100000224831_100011216346 [0,1,0,0,0,0|3,0,0]=4 1447 B13R0.1283 CCOC(=O)C(F)C(=O)CCCCO 1458a_100000695505_100000760018 [0,1,0,0,0,0|1,0,2]=4 1448 B13R0.1283 CCOC(=O)C(F)C(=O)CCCOC 1458a_100000741012_100000760018 [0,1,0,0,0,0|1,0,2]=4 1449 B13R0.1283 CCOC(=O)C(F)C(=O)CCCSC 1458a_100000173376_100000760018 [0,1,0,0,0,0|1,0,2]=4 1450 B13R0.1283 CCOC(=O)C(F)C(=O)CCSCC 1458a_100000230768_100000760018 [0,1,0,0,0,0|1,0,2]=4 1451 B13R0.1283 CCOC(=O)C(F)N(C)CCCCO 2230a_100000717598_100000760018 [0,1,0,0,0,0|3,0,0]=4 1452 B13R0.1283 CCOC(=O)C(F)N(C)CCCCO 269982a_100000717598_100000760018 [0,1,0,0,0,0|3,0,0]=4 1453 B13R0.1283 CCOC(=O)C(F)N(C)CCCOC 2230a_100000224831_100000760018 [0,1,0,0,0,0|3,0,0]=4 1454 B13R0.1283 CCOC(=O)C(F)N(C)CCCOC 269982a_100000224831_100000760018 [0,1,0,0,0,0|3,0,0]=4 1455 B13R0.1283 CCOCCC(=O)C(C)C(=O)OCC 1458a_100000749530_100011216346 [0,1,0,0,0,0|1,0,2]=4 1456 B13R0.1283 CCOCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100011215890 [0,1,0,0,0,0|1,0,2]=4 1457 B13R0.1283 CCOCCC(=O)C(F)C(=O)OCC 1458a_100000749530_100000760018 [0,1,0,0,0,0|1,0,2]=4 1458 B13R0.1293 CCCCCC(=O)CC(=O)C(C)CC 1458a_100011192722_200012276598 [0,1,0,0,0,0|1,0,2]=4 1459 B13R0.1293 CCCCCC(=O)CC(=O)C(O)CC 1458a_100011196387_200012276598 [0,1,0,0,0,0|1,0,2]=4 1460 B13R0.1293 CCCCCC(=O)CC(=O)N(C)CC 1458a_100000212188_100011894763 [0,1,0,0,0,0|1,0,2]=4 1461 B13R0.1293 CCCCCC(C)NC(=O)C(C)CC 11a_100000211957_100011192722 [0,1,0,0,0,0|3,0,0]=4 1462 B13R0.1293 CCCCCC(C)NC(=O)C(C)CC 1626a_100000211957_100011192722 [0,1,0,0,0,0|3,0,0]=4 1463 B13R0.1293 CCCCCC(C)NC(=O)C(C)CC 240690a_100000211957_100011192722 [0,1,0,0,0,0|3,0,0]=4 1464 B13R0.1293 CCCCCC(C)NC(=O)C(C)CC 527a_100000211957_100011192722 [0,1,0,0,0,0|3,0,0]=4 1465 B13R0.1293 CCCCCC(C)NC(=O)C(O)CC 240690a_100000211957_100011196387 [0,1,0,0,0,0|3,0,0]=4 1466 B13R0.1293 CCCCCC(C)NC(=O)N(C)CC 2708a_100000211957_100000225621 [0,1,0,0,0,0|3,0,0]=4 1467 B13R0.1293 CCCCCC(C)NC(=O)N(C)CC 273464a_100000211957_100000225621 [0,1,0,0,0,0|3,0,0]=4 1468 B13R0.1293 CCCCCN(C)CC(=O)N(C)CC 2230a_100000223495_100000738999 [0,1,0,0,0,0|3,0,0]=4 1469 B13R0.1293 CCCCCN(C)CC(=O)N(C)CC 269982a_100000223495_100000738999 [0,1,0,0,0,0|3,0,0]=4 1470 B13R0.1521 C#CC(C)NC[C@@H](O)CC(=O)OCC 34a_100000707721_100000688340 [0,1,0,0,0,0|1,0,2]=4 1471 B13R0.1521 C#CC(C)SC[C@@H](O)CC(=O)OCC 62a_200000035995_100000688340 [0,1,0,0,0,0|1,0,2]=4 1472 B13R0.1521 C#C[C@@H](C)OC[C@@H](O)CC(=O)OCC 34a_100009815206_100000688340 [0,1,0,0,0,0|1,0,2]=4 1473 B13R0.1521 C#C[C@@H](C)OC[C@@H](O)CC(=O)OCC 7a_100009815206_100000688340 [0,1,0,0,0,0|1,0,2]=4 1474 B13R0.1521 C=CC(C)OC[C@@H](O)CC(=O)OCC 34a_100000695699_100000688340 [0,1,0,0,0,0|1,0,2]=4 1475 B13R0.1521 C=CC(C)SC[C@@H](O)CC(=O)OCC 62a_100011215867_100000688340 [0,1,0,0,0,0|1,0,2]=4 1476 B13R0.1521 CCCC(=O)CC(=O)CCC(C)CC 1458a_100000701222_100000747444 [0,1,0,0,0,0|1,0,2]=4 1477 B13R0.1521 CCNC(=O)CC(=O)CCC(C)CC 1458a_100000701222_100000183381 [0,1,0,0,0,0|1,0,2]=4 1478 B13R0.1521 CCOC(=O)CC(=O)CCC(C)CC 1458a_100000701222_100000188475 [0,1,0,0,0,0|0,0,2]=3 1479 B13R0.1521 CCOC(=O)CC(=O)CCN(C)CC 1458a_100000755305_100000188475 [0,1,0,0,0,0|1,0,2]=4 1480 B13R0.1521 CCOC(=O)CC(=O)CCS(=O)CC 1458a_100011387550_100000188475 [0,1,0,0,0,0|1,0,2]=4 1481 B13R0.1521 CCOC(=O)CC(=O)CSC(C)CC 62a_100000210311_100000758301 [0,1,0,0,0,0|1,0,2]=4 1482 B13R0.1521 CCOC(=O)CC(=O)CSC(C)CC 62a_100000758301_100000210311 [0,1,0,0,0,0|1,0,2]=4 1483 B13R0.1521 CCOC(=O)CC(=O)NCC(C)CC 240690a_100020588543_100000243816 [0,1,0,0,0,0|1,0,2]=4 1484 B13R0.1521 CCOC(=O)CC(=O)NCC(O)CC 240690a_100011218483_100000243816 [0,1,0,0,0,0|1,0,2]=4 1485 B13R0.1521 CCOC(=O)CC(C)NCC(C)CC 2230a_100020588543_100009817359 [0,1,0,0,0,0|2,0,0]=3 1486 B13R0.1521 CCOC(=O)CC(C)NCC(O)CC 2230a_100011218483_100009817359 [0,1,0,0,0,0|2,0,0]=3 1487 B13R0.1521 CCOC(=O)CC(C)NC[C@@H](C)OC 2230a_100020591295_100009817359 [0,1,0,0,0,0|3,0,0]=4 1488 B13R0.1521 CCOC(=O)CC(C)NC[C@H](O)CO 2230a_100020644852_100009817359 [0,1,0,0,0,0|3,0,0]=4 1489 B13R0.1521 CCOC(=O)CC(C)OC[C@@H](C)CC 7a_100009816381_100009817359 [0,1,0,0,0,0|2,0,0]=3 1490 B13R0.1521 CCOC(=O)CC(C)SCC(=O)CC 62a_100000747405_100009817359 [0,1,0,0,0,0|2,0,1]=4 1491 B13R0.1521 CCOC(=O)CC(C)SCC(=O)CC 62a_100009817359_100000747405 [0,1,0,0,0,0|2,0,1]=4 1492 B13R0.1521 CCOC(=O)CC(C)SCC(C)CC 62a_100000748023_100009817359 [0,1,0,0,0,0|2,0,0]=3 1493 B13R0.1521 CCOC(=O)CC(C)SCC(C)CC 62a_100009817359_100000748023 [0,1,0,0,0,0|2,0,0]=3 1494 B13R0.1521 CCOC(=O)CC(C)SCC(O)CC 62a_100009817359_100011218378 [0,1,0,0,0,0|2,0,0]=3 1495 B13R0.1521 CCOC(=O)CC(C)SCC(O)CC 62a_100011218378_100009817359 [0,1,0,0,0,0|2,0,0]=3 1496 B13R0.1521 CCOC(=O)CC(C)SCC(O)CO 62a_100009817359_100011219619 [0,1,0,0,0,0|3,0,0]=4 1497 B13R0.1521 CCOC(=O)CC(C)SCC(O)CO 62a_100011219619_100009817359 [0,1,0,0,0,0|3,0,0]=4 1498 B13R0.1521 CCOC(=O)CC(C)SC[C@@H](C)CC 62a_100009816398_100009817359 [0,1,0,0,0,0|2,0,0]=3 1499 B13R0.1521 CCOC(=O)CC(C)SC[C@@H](C)CC 62a_100009817359_100009816398 [0,1,0,0,0,0|2,0,0]=3 1500 B13R0.1521 CCOC(=O)CC(C)SC[C@@H](C)CO 62a_100000059175_100009817359 [0,1,0,0,0,0|3,0,0]=4 1501 B13R0.1521 CCOC(=O)CC(C)SC[C@@H](C)CO 62a_100009817359_100000059175 [0,1,0,0,0,0|3,0,0]=4 1502 B13R0.1521 CCOC(=O)CC(C)SC[C@@H](O)CF 62a_100009817359_100015614560 [0,1,0,0,0,0|3,0,0]=4 1503 B13R0.1521 CCOC(=O)CC(C)SC[C@@H](O)CF 62a_100015614560_100009817359 [0,1,0,0,0,0|3,0,0]=4 1504 B13R0.1521 CCOC(=O)CC(C)SC[C@@H](O)CO 62a_100009815848_100009817359 [0,1,0,0,0,0|3,0,0]=4 1505 B13R0.1521 CCOC(=O)CC(C)SC[C@@H](O)CO 62a_100009817359_100009815848 [0,1,0,0,0,0|3,0,0]=4 1506 B13R0.1521 CCOC(=O)C[C@@H](C)OCC(=O)CC 7a_100009816390_100000747405 [0,1,0,0,0,0|2,0,1]=4 1507 B13R0.1521 CCOC(=O)C[C@@H](C)OCC(C)CC 7a_100009816390_100000748023 [0,1,0,0,0,0|2,0,0]=3 1508 B13R0.1521 CCOC(=O)C[C@@H](C)OCC(O)CC 7a_100009816390_100011218378 [0,1,0,0,0,0|2,0,0]=3 1509 B13R0.1521 CCOC(=O)C[C@@H](C)OCC(O)CO 7a_100009816390_100011219619 [0,1,0,0,0,0|3,0,0]=4 1510 B13R0.1521 CCOC(=O)C[C@@H](C)OC[C@@H](C)CC 7a_100009816390_100009816398 [0,1,0,0,0,0|2,0,0]=3 1511 B13R0.1521 CCOC(=O)C[C@@H](C)OC[C@@H](C)CO 7a_100009816390_100000059175 [0,1,0,0,0,0|3,0,0]=4 1512 B13R0.1521 CCOC(=O)C[C@@H](C)OC[C@@H](O)CF 7a_100009816390_100015614560 [0,1,0,0,0,0|3,0,0]=4 1513 B13R0.1521 CCOC(=O)C[C@@H](C)OC[C@@H](O)CO 7a_100009816390_100009815848 [0,1,0,0,0,0|3,0,0]=4 1514 B13R0.1521 CCOC(=O)C[C@H](O)COC(C)C#N 34a_100011218135_100000688340 [0,1,0,0,0,0|2,0,1]=4 1515 B13R0.1521 CCOC(=O)C[C@H](O)COC(C)CC 7a_100000210228_100000688340 [0,1,0,0,0,0|1,0,0]=2 1516 B13R0.1521 CCOC(=O)C[C@H](O)COC(C)CF 34a_100016041109_100000688340 [0,1,0,0,0,0|2,0,0]=3 1517 B13R0.1521 CCOC(=O)C[C@H](O)COC(C)CF 7a_100016041109_100000688340 [0,1,0,0,0,0|2,0,0]=3 1518 B13R0.1521 CCOC(=O)C[C@H](O)COC(C)CN 34a_100000210904_100000688340 [0,1,0,0,0,0|2,0,0]=3 1519 B13R0.1521 CCOC(=O)C[C@H](O)CSC(C)C#N 62a_100000688340_100000703298 [0,1,0,0,0,0|2,0,1]=4 1520 B13R0.1521 CCOC(=O)C[C@H](O)CSC(C)C#N 62a_100000703298_100000688340 [0,1,0,0,0,0|2,0,1]=4 1521 B13R0.1521 CCOC(=O)C[C@H](O)CSC(C)CC 62a_100000688340_100000758301 [0,1,0,0,0,0|1,0,0]=2 1522 B13R0.1521 CCOC(=O)C[C@H](O)CSC(C)CC 62a_100000758301_100000688340 [0,1,0,0,0,0|1,0,0]=2 1523 B13R0.1521 CCOC(=O)C[C@H](O)CSC(C)CO 62a_100012180447_100000688340 [0,1,0,0,0,0|2,0,0]=3 1524 B13R0.1521 CCOC(=O)C[C@H](O)CSC(C)OC 62a_100000688340_100009879195 [0,1,0,0,0,0|2,0,0]=3 1525 B13R0.1521 CCOC(=O)C[C@H](O)CSC(C)OC 62a_100009879195_100000688340 [0,1,0,0,0,0|2,0,0]=3 1526 B13R0.1521 CCOC(=O)C[C@H](O)CSC(F)C#N 62a_100000688340_200000117898 [0,1,0,0,0,0|2,0,1]=4 1527 B13R0.1521 CCOC(=O)C[C@H](O)CSC(F)C#N 62a_200000117898_100000688340 [0,1,0,0,0,0|2,0,1]=4 1528 B13R0.1521 CCOC(=O)C[C@H](O)CS[C@H](C)CO 62a_100000688340_100016084084 [0,1,0,0,0,0|2,0,0]=3 1529 B13R0.1521 CCOC(=O)C[C@H](O)CS[C@H](C)CO 62a_100016084084_100000688340 [0,1,0,0,0,0|2,0,0]=3 1530 B13R0.1521 CCOC(=O)OC(C)SCC(C)CC 62a_100000036008_100000748023 [0,1,0,0,0,0|3,0,0]=4 1531 B13R0.1521 CCOC(=O)OC(C)SCC(C)CC 62a_100000748023_100000036008 [0,1,0,0,0,0|3,0,0]=4 1532 B13R0.1521 CCOC(=O)OC(C)SCC(O)CC 62a_100000036008_100011218378 [0,1,0,0,0,0|3,0,0]=4 1533 B13R0.1521 CCOC(=O)OC(C)SCC(O)CC 62a_100011218378_100000036008 [0,1,0,0,0,0|3,0,0]=4 1534 B13R0.1521 CCOC(=O)OC(C)SC[C@@H](C)CC 62a_100000036008_100009816398 [0,1,0,0,0,0|3,0,0]=4 1535 B13R0.1521 CCOC(=O)OC(C)SC[C@@H](C)CC 62a_100009816398_100000036008 [0,1,0,0,0,0|3,0,0]=4 1536 B13R1.20 CC1CCCC(C1)CC(=O)CCF 1458a_100000748788_100011217306 [0,0,0,1,0,0|3,0,0]=4 1537 B13R1.20 CC1CCCC(C1)CC(=O)CCO 1458a_100000748788_100000211926 [0,0,0,1,0,0|3,0,0]=4 1538 B13R1.20 CCCC(=O)CC1CCCC(C1)C 1458a_100000748788_100000210303 [0,0,0,1,0,0|2,0,0]=3 1539 B13R1.20 CCCC(=O)CC1CCCN(C1)C 1458a_100000211992_100015183302 [0,0,0,1,0,0|3,0,0]=4 1540 B13R1.20 CCCC(=O)CN1CCC[C@@H](C1)C 2230a_100000717927_100000747444 [0,0,0,1,0,0|3,0,0]=4 1541 B13R1.20 CCCC(=O)CN1CCC[C@@H](C1)C 269982a_100000717927_100000747444 [0,0,0,1,0,0|3,0,0]=4 1542 B13R1.20 CCCC(=O)NC1CCCC(C1)C 11a_100011194320_100000211992 [0,0,0,1,0,0|3,0,0]=4 1543 B13R1.20 CCCC(=O)NC1CCCC(C1)C 1626a_100011194320_100000211992 [0,0,0,1,0,0|3,0,0]=4 1544 B13R1.20 CCCC(=O)NC1CCCC(C1)C 240690a_100011194320_100000211992 [0,0,0,1,0,0|3,0,0]=4 1545 B13R1.20 CCCC(=O)NC1CCCC(C1)C 527a_100011194320_100000211992 [0,0,0,1,0,0|3,0,0]=4 1546 B13R1.20 CCNC(=O)CC1CCCC(C1)C 11a_100015525214_100000748788 [0,0,0,1,0,0|2,0,0]=3 1547 B13R1.20 CCNC(=O)CC1CCCC(C1)C 240690a_100015525214_100000748788 [0,0,0,1,0,0|2,0,0]=3 1548 B13R1.20 CCNC(=O)CC1CCCC(C1)C 527a_100015525214_100000748788 [0,0,0,1,0,0|2,0,0]=3 1549 B13R1.20 CCNC(=O)CN1CCC[C@@H](C1)C 2230a_100000717927_100000183381 [0,0,0,1,0,0|3,0,0]=4 1550 B13R1.20 CCNC(=O)CN1CCC[C@@H](C1)C 269982a_100000717927_100000183381 [0,0,0,1,0,0|3,0,0]=4 1551 B13R1.20 CCNC(=O)CN1CCC[C@@H](C1)C 34a_100000717927_100000183381 [0,0,0,1,0,0|3,0,0]=4 1552 B13R1.20 CCNC(=O)NC1CCCC(C1)C 2708a_100011194320_100015525214 [0,0,0,1,0,0|3,0,0]=4 1553 B13R1.20 CCNC(=O)NC1CCCC(C1)C 2708a_100015525214_100011194320 [0,0,0,1,0,0|3,0,0]=4 1554 B13R1.20 CCNC(=O)NC1CCCC(C1)C 273464a_100011194320_100015525214 [0,0,0,1,0,0|3,0,0]=4 1555 B13R1.20 CCNC(=O)NC1CCCC(C1)C 273464a_100015525214_100011194320 [0,0,0,1,0,0|3,0,0]=4 1556 B13R1.20 CCNC(=O)NC1CCCC(C1)C 512a_100011194320_100015525214 [0,0,0,1,0,0|3,0,0]=4 1557 B13R1.20 CCNC(=O)NC1CCCC(C1)C 512a_100015525214_100011194320 [0,0,0,1,0,0|3,0,0]=4 1558 B13R1.20 CCOC(=O)CC1CCCN(C1)C 2230a_100015200144_200000210301 [0,0,0,1,0,0|2,0,0]=3 1559 B13R1.20 CCOC(=O)CC1CCCN(C1)C 269982a_100015200144_200000210301 [0,0,0,1,0,0|2,0,0]=3 1560 B13R1.20 CCOC(=O)CC1CCCN(C1)[13CH3] 2230a_100015200144_200025704644 [0,0,0,1,0,0|2,0,0]=3 1561 B13R1.20 CCOC(=O)CC1CCCN(C1)[13CH3] 269982a_100015200144_200025704644 [0,0,0,1,0,0|2,0,0]=3 1562 B13R1.20 CCOC(=O)CN1CCCC(C1)F 2230a_100000697950_100000188475 [0,0,0,1,0,0|3,0,0]=4 1563 B13R1.20 CCOC(=O)CN1CCCC(C1)F 269982a_100000697950_100000188475 [0,0,0,1,0,0|3,0,0]=4 1564 B13R1.20 CCOC(=O)CN1CCCC(C1)F 34a_100000697950_100000188475 [0,0,0,1,0,0|3,0,0]=4 1565 B13R1.20 CCOC(=O)CN1CCCC(C1)O 2230a_100000211013_100000188475 [0,0,0,1,0,0|3,0,0]=4 1566 B13R1.20 CCOC(=O)CN1CCCC(C1)O 269982a_100000211013_100000188475 [0,0,0,1,0,0|3,0,0]=4 1567 B13R1.20 CCOC(=O)CN1CCC[C@@H](C1)C 2230a_100000717927_100000188475 [0,0,0,1,0,0|2,0,0]=3 1568 B13R1.20 CCOC(=O)CN1CCC[C@@H](C1)C 269982a_100000717927_100000188475 [0,0,0,1,0,0|2,0,0]=3 1569 B13R1.20 CCOC(=O)CN1CCC[C@@H](C1)C 34a_100000717927_100000188475 [0,0,0,1,0,0|2,0,0]=3 1570 B13R1.20 CCOC(=O)CN1CCOC(C1)C 2230a_100000729577_100000188475 [0,0,0,1,0,0|3,0,0]=4 1571 B13R1.20 CCOC(=O)CN1CCOC(C1)C 269982a_100000729577_100000188475 [0,0,0,1,0,0|3,0,0]=4 1572 B13R1.20 CCOC(=O)CN1CCOC(C1)C 34a_100000729577_100000188475 [0,0,0,1,0,0|3,0,0]=4 1573 B13R1.20 CNNC(=O)CC1CCCC(C1)C 22a_100016993582_100000748788 [0,0,0,1,0,0|3,0,0]=4 1574 B13R1.33 CCCC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000747444 [0,0,0,1,0,0|1,0,2]=4 1575 B13R1.33 CCCC(=O)CC(C)N1CCCC1 1458a_100000211992_200015187269 [0,0,0,1,0,0|3,0,0]=4 1576 B13R1.33 CCCC(=O)CN(C)C1CCCC1 1458a_100073796569_100000210303 [0,0,0,1,0,0|3,0,0]=4 1577 B13R1.33 CCCC(=O)CN(C)C1CCCC1 2230a_100000207505_100000747444 [0,0,0,1,0,0|3,0,0]=4 1578 B13R1.33 CCCC(=O)CN(C)C1CCCC1 269982a_100000207505_100000747444 [0,0,0,1,0,0|3,0,0]=4 1579 B13R1.33 CCCC(=O)NC(C)C1CCCC1 11a_100015185923_100000211992 [0,0,0,1,0,0|3,0,0]=4 1580 B13R1.33 CCCC(=O)NC(C)C1CCCC1 1626a_100015185923_100000211992 [0,0,0,1,0,0|3,0,0]=4 1581 B13R1.33 CCCC(=O)NC(C)C1CCCC1 240690a_100015185923_100000211992 [0,0,0,1,0,0|3,0,0]=4 1582 B13R1.33 CCCC(=O)NC(C)C1CCCC1 527a_100015185923_100000211992 [0,0,0,1,0,0|3,0,0]=4 1583 B13R1.33 CCNC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000183381 [0,0,0,1,0,0|1,0,2]=4 1584 B13R1.33 CCNC(=O)CN(C)C1CCCC1 2230a_100000207505_100000183381 [0,0,0,1,0,0|3,0,0]=4 1585 B13R1.33 CCNC(=O)CN(C)C1CCCC1 2230a_100000741943_100000179811 [0,0,0,1,0,0|3,0,0]=4 1586 B13R1.33 CCNC(=O)CN(C)C1CCCC1 240690a_100015525214_100073796569 [0,0,0,1,0,0|3,0,0]=4 1587 B13R1.33 CCNC(=O)CN(C)C1CCCC1 269982a_100000207505_100000183381 [0,0,0,1,0,0|3,0,0]=4 1588 B13R1.33 CCNC(=O)CN(C)C1CCCC1 269982a_100000741943_100000179811 [0,0,0,1,0,0|3,0,0]=4 1589 B13R1.33 CCNC(=O)CN(C)C1CCCC1 270004a_100000741943_100000210133 [0,0,0,1,0,0|3,0,0]=4 1590 B13R1.33 CCNC(=O)CN(C)C1CCCC1 34a_100000207505_100000183381 [0,0,0,1,0,0|3,0,0]=4 1591 B13R1.33 CCNC(=O)CN(C)C1CCCC1 527a_100015525214_100073796569 [0,0,0,1,0,0|3,0,0]=4 1592 B13R1.33 CCNC(=O)NC(C)C1CCCC1 2708a_100015185923_100015525214 [0,0,0,1,0,0|3,0,0]=4 1593 B13R1.33 CCNC(=O)NC(C)C1CCCC1 2708a_100015525214_100015185923 [0,0,0,1,0,0|3,0,0]=4 1594 B13R1.33 CCNC(=O)NC(C)C1CCCC1 273464a_100015185923_100015525214 [0,0,0,1,0,0|3,0,0]=4 1595 B13R1.33 CCNC(=O)NC(C)C1CCCC1 273464a_100015525214_100015185923 [0,0,0,1,0,0|3,0,0]=4 1596 B13R1.33 CCNC(=O)NC(C)C1CCCC1 512a_100015185923_100015525214 [0,0,0,1,0,0|3,0,0]=4 1597 B13R1.33 CCNC(=O)NC(C)C1CCCC1 512a_100015525214_100015185923 [0,0,0,1,0,0|3,0,0]=4 1598 B13R1.33 CCOC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000188475 [0,0,0,1,0,0|0,0,2]=3 1599 B13R1.33 CCOC(=O)CC(=O)C1CCCC1 1458a_100000243816_100000179811 [0,0,0,1,0,0|0,0,2]=3 1600 B13R1.33 CCOC(=O)CC(=O)C1CCCS1 1458a_100012002731_100000188475 [0,0,0,1,0,0|1,0,2]=4 1601 B13R1.33 CCOC(=O)CC(=O)C1CCOC1 1458a_100000243816_100000690089 [0,0,0,1,0,0|1,0,2]=4 1602 B13R1.33 CCOC(=O)CC(=O)C1CCOC1 1458a_100011219752_100000188475 [0,0,0,1,0,0|1,0,2]=4 1603 B13R1.33 CCOC(=O)CC(=O)N1CCCC1 240690a_100000188435_100000243816 [0,0,0,1,0,0|1,0,2]=4 1604 B13R1.33 CCOC(=O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000188475 [0,0,0,1,0,0|1,0,2]=4 1605 B13R1.33 CCOC(=O)CC(C)N1CCCC1 2230a_100000188435_100009817359 [0,0,0,1,0,0|2,0,0]=3 1606 B13R1.33 CCOC(=O)CC(C)N1CCCC1 269982a_100000188435_100009817359 [0,0,0,1,0,0|2,0,0]=3 1607 B13R1.33 CCOC(=O)CC(C)N1CCSC1 2230a_100011215254_100009817359 [0,0,0,1,0,0|3,0,0]=4 1608 B13R1.33 CCOC(=O)CC(C)N1CCSC1 269982a_100011215254_100009817359 [0,0,0,1,0,0|3,0,0]=4 1609 B13R1.33 CCOC(=O)CN(C)C1CCCC1 2230a_100000207505_100000188475 [0,0,0,1,0,0|2,0,0]=3 1610 B13R1.33 CCOC(=O)CN(C)C1CCCC1 2230a_100000220588_100000179811 [0,0,0,1,0,0|2,0,0]=3 1611 B13R1.33 CCOC(=O)CN(C)C1CCCC1 2230a_100025761507_200000210301 [0,0,0,1,0,0|2,0,0]=3 1612 B13R1.33 CCOC(=O)CN(C)C1CCCC1 269982a_100000207505_100000188475 [0,0,0,1,0,0|2,0,0]=3 1613 B13R1.33 CCOC(=O)CN(C)C1CCCC1 270004a_100000220588_100000210133 [0,0,0,1,0,0|2,0,0]=3 1614 B13R1.33 CCOC(=O)CN(C)C1CCCC1 34a_100000207505_100000188475 [0,0,0,1,0,0|2,0,0]=3 1615 B13R1.33 CCOC(=O)CN(C)C1CCOC1 2230a_100000220588_100000731011 [0,0,0,1,0,0|3,0,0]=4 1616 B13R1.33 CCOC(=O)CN(C)C1CCOC1 2230a_100016988252_100000188475 [0,0,0,1,0,0|3,0,0]=4 1617 B13R1.33 CCOC(=O)CN(C)C1CCOC1 269982a_100016988252_100000188475 [0,0,0,1,0,0|3,0,0]=4 1618 B13R1.33 CCOC(=O)CN(C)C1CCOC1 270004a_100000220588_100000752484 [0,0,0,1,0,0|3,0,0]=4 1619 B13R1.33 CCOC(=O)CN(C)C1CCOC1 34a_100016988252_100000188475 [0,0,0,1,0,0|3,0,0]=4 1620 B13R1.33 CCOC(=O)CN(C)C1CCSC1 270004a_100000220588_100000212027 [0,0,0,1,0,0|3,0,0]=4 1621 B13R1.33 CCOC(=O)CN([13CH3])C1CCCC1 2230a_100025761507_200025704644 [0,0,0,1,0,0|2,0,0]=3 1622 B13R1.33 CCOC(=O)OC(C)N1CCCC1 269982a_100000188435_100000036008 [0,0,0,1,0,0|3,0,0]=4 1623 B13R1.463 CCCC(=O)C1CCCCCC1=O 1458a_100000211992_100000243696 [0,0,0,1,0,0|1,0,2]=4 1624 B13R1.463 CCCC(=O)C1CCCCCN1C 1458a_100015187800_100000210303 [0,0,0,1,0,0|3,0,0]=4 1625 B13R1.463 CCNC(=O)C1CCCCCN1C 240690a_100015525214_100015187800 [0,0,0,1,0,0|3,0,0]=4 1626 B13R1.463 CCNC(=O)C1CCCCCN1C 527a_100015525214_100015187800 [0,0,0,1,0,0|3,0,0]=4 1627 B13R1.664 CCCCNC1CC(=O)N(C1)CC 2230a_100015184948_100000210211 [0,0,0,1,0,0|3,0,0]=4 1628 B13R1.664 CCCCNC1CC(=O)N(C1)CC 34a_100015184948_100000210210 [0,0,0,1,0,0|3,0,0]=4 1629 B13R1.664 CCCNCC1CC(=O)N(C1)CC 2230a_100011935115_100000210303 [0,0,0,1,0,0|3,0,0]=4 1630 B13R1.664 CCCNCC1CC(=O)N(C1)CC 34a_100011935115_100000210303 [0,0,0,1,0,0|3,0,0]=4 1631 B13R1.664 CCCOCC1CC(=O)N(C1)CC 34a_100000758270_100000210303 [0,0,0,1,0,0|3,0,0]=4 1632 B13R1.664 CCCOCC1CC(=O)N(C1)CC 7a_100000758270_100000210303 [0,0,0,1,0,0|3,0,0]=4 1633 B13R1.689 CCCC(=O)CC1CCN(C1)CC 1458a_100000211992_100015184589 [0,0,0,1,0,0|3,0,0]=4 1634 B13R1.689 CCOC(=O)CN1CCC(C1)CO 2230a_100000748654_100000188475 [0,0,0,1,0,0|3,0,0]=4 1635 B13R1.689 CCOC(=O)CN1CCC(C1)CO 269982a_100000748654_100000188475 [0,0,0,1,0,0|3,0,0]=4 1636 B13R1.689 CCOC(=O)CN1CCC(C1)CO 34a_100000748654_100000188475 [0,0,0,1,0,0|3,0,0]=4 1637 B13R1.689 CCOC(=O)CN1CC[C@H](C1)OC 2230a_100000766984_100000188475 [0,0,0,1,0,0|3,0,0]=4 1638 B13R1.689 CCOC(=O)CN1CC[C@H](C1)OC 269982a_100000766984_100000188475 [0,0,0,1,0,0|3,0,0]=4 1639 B13R1.689 CCOC(=O)C[C@H]1CCN(C1)CC 2230a_106256037354_100000210202 [0,0,0,1,0,0|2,0,0]=3 1640 B13R1.689 CCOC(=O)C[C@H]1CCN(C1)CC 269982a_106256037354_100000204670 [0,0,0,1,0,0|2,0,0]=3 1641 B13R1.689 CCOC(=O)C[C@H]1CCN(C1)CF 269982a_106256037354_100015361967 [0,0,0,1,0,0|3,0,0]=4 1642 B13R1.725 CCCCCC(=O)C1CCCC1=O 1458a_100000212188_100000211823 [0,0,0,1,0,0|1,0,2]=4 1643 B13R1.725 CCCCCC(=O)C1CCOC1=O 1458a_100000212188_100000211211 [0,0,0,1,0,0|0,0,2]=3 1644 B13R1.725 CCCCCN(C)C1CCCC1=O 2230a_100000223495_100000211823 [0,0,0,1,0,0|3,0,0]=4 1645 B13R1.725 CCCCCN(C)C1CCCC1=O 269982a_100000223495_100000211823 [0,0,0,1,0,0|3,0,0]=4 1646 B13R1.725 CCCCCN(C)C1CCOC1=O 2230a_100000223495_100000211211 [0,0,0,1,0,0|2,0,0]=3 1647 B13R1.725 CCCCCN(C)C1CCOC1=O 269982a_100000223495_100000211211 [0,0,0,1,0,0|2,0,0]=3 1648 B13R1.725 CCCOCC(=O)C1CCOC1=O 1458a_100000745993_100000211211 [0,0,0,1,0,0|1,0,2]=4 1649 B13R1.725 CCCSCC(=O)C1CCOC1=O 1458a_100000217233_100000211211 [0,0,0,1,0,0|1,0,2]=4 1650 B13R1.725 CCOCCC(=O)C1CCOC1=O 1458a_100000749530_100000211211 [0,0,0,1,0,0|1,0,2]=4 1651 B13R1.725 CCSCCC(=O)C1CCOC1=O 1458a_100000230768_100000211211 [0,0,0,1,0,0|1,0,2]=4 1652 B13R1.725 CN(CCCCO)C1CCOC1=O 2230a_100000717598_100000211211 [0,0,0,1,0,0|3,0,0]=4 1653 B13R1.725 CN(CCCCO)C1CCOC1=O 269982a_100000717598_100000211211 [0,0,0,1,0,0|3,0,0]=4 1654 B13R1.725 COCCCC(=O)C1CCOC1=O 1458a_100000741012_100000211211 [0,0,0,1,0,0|1,0,2]=4 1655 B13R1.725 COCCCN(C)C1CCOC1=O 2230a_100000224831_100000211211 [0,0,0,1,0,0|3,0,0]=4 1656 B13R1.725 COCCCN(C)C1CCOC1=O 269982a_100000224831_100000211211 [0,0,0,1,0,0|3,0,0]=4 1657 B13R1.725 CSCCCC(=O)C1CCOC1=O 1458a_100000173376_100000211211 [0,0,0,1,0,0|1,0,2]=4 1658 B13R1.725 O=C(CCCCO)C1CCOC1=O 1458a_100000695505_100000211211 [0,0,0,1,0,0|1,0,2]=4 1659 B13R1.1148 CCCCCN1CCCNC(=O)C1 2230a_100015190381_100000210326 [0,0,0,1,0,0|3,0,0]=4 1660 B13R1.1575 CC#CC(=O)CC1CCCCCC1 1458a_100000763181_200000696569 [0,0,0,1,0,0|2,0,1]=4 1661 B13R1.1575 CC=CC(=O)CC1CCCCCC1 1458a_100000210699_200000696569 [0,0,0,1,0,0|2,0,1]=4 1662 B13R1.1575 CCCC(=O)CC1CCCCCC1 1458a_100000211992_200000696569 [0,0,0,1,0,0|2,0,0]=3 1663 B13R1.1575 CCCC(=O)CC1CCCCCC1 1458a_100000685095_100000210303 [0,0,0,1,0,0|2,0,0]=3 1664 B13R1.1575 CCCC(=O)CN1CCCCCC1 1458a_100000740298_100000210303 [0,0,0,1,0,0|3,0,0]=4 1665 B13R1.1575 CCCC(=O)CN1CCCCCC1 2230a_100000185865_100000747444 [0,0,0,1,0,0|3,0,0]=4 1666 B13R1.1575 CCCC(=O)CN1CCCCCC1 269982a_100000185865_100000747444 [0,0,0,1,0,0|3,0,0]=4 1667 B13R1.1575 CCCC(=O)NC1CCCCCC1 11a_100000210984_100000211992 [0,0,0,1,0,0|3,0,0]=4 1668 B13R1.1575 CCCC(=O)NC1CCCCCC1 1626a_100000210984_100000211992 [0,0,0,1,0,0|3,0,0]=4 1669 B13R1.1575 CCCC(=O)NC1CCCCCC1 240690a_100000210984_100000211992 [0,0,0,1,0,0|3,0,0]=4 1670 B13R1.1575 CCCC(=O)NC1CCCCCC1 527a_100000210984_100000211992 [0,0,0,1,0,0|3,0,0]=4 1671 B13R1.1575 CCNC(=O)CC1CCCCCC1 11a_100015525214_100000685095 [0,0,0,1,0,0|2,0,0]=3 1672 B13R1.1575 CCNC(=O)CC1CCCCCC1 240690a_100015525214_100000685095 [0,0,0,1,0,0|2,0,0]=3 1673 B13R1.1575 CCNC(=O)CC1CCCCCC1 527a_100015525214_100000685095 [0,0,0,1,0,0|2,0,0]=3 1674 B13R1.1575 CCNC(=O)CN1CCCCCC1 11a_100015525214_100000740298 [0,0,0,1,0,0|3,0,0]=4 1675 B13R1.1575 CCNC(=O)CN1CCCCCC1 2230a_100000185865_100000183381 [0,0,0,1,0,0|3,0,0]=4 1676 B13R1.1575 CCNC(=O)CN1CCCCCC1 240690a_100015525214_100000740298 [0,0,0,1,0,0|3,0,0]=4 1677 B13R1.1575 CCNC(=O)CN1CCCCCC1 269982a_100000185865_100000183381 [0,0,0,1,0,0|3,0,0]=4 1678 B13R1.1575 CCNC(=O)CN1CCCCCC1 34a_100000185865_100000183381 [0,0,0,1,0,0|3,0,0]=4 1679 B13R1.1575 CCNC(=O)CN1CCCCCC1 527a_100015525214_100000740298 [0,0,0,1,0,0|3,0,0]=4 1680 B13R1.1575 CCNC(=O)NC1CCCCCC1 2708a_100000210984_100015525214 [0,0,0,1,0,0|3,0,0]=4 1681 B13R1.1575 CCNC(=O)NC1CCCCCC1 2708a_100015525214_100000210984 [0,0,0,1,0,0|3,0,0]=4 1682 B13R1.1575 CCNC(=O)NC1CCCCCC1 273464a_100000210984_100015525214 [0,0,0,1,0,0|3,0,0]=4 1683 B13R1.1575 CCNC(=O)NC1CCCCCC1 273464a_100015525214_100000210984 [0,0,0,1,0,0|3,0,0]=4 1684 B13R1.1575 CCNC(=O)NC1CCCCCC1 512a_100015525214_100000210984 [0,0,0,1,0,0|3,0,0]=4 1685 B13R1.1575 CCOC(=O)CN1CCCCCC1 2230a_100000185865_100000188475 [0,0,0,1,0,0|2,0,0]=3 1686 B13R1.1575 CCOC(=O)CN1CCCCCC1 269982a_100000185865_100000188475 [0,0,0,1,0,0|2,0,0]=3 1687 B13R1.1575 CCOC(=O)CN1CCCCCC1 34a_100000185865_100000188475 [0,0,0,1,0,0|2,0,0]=3 1688 B13R1.1575 CCOC(=O)CN1CCCOCC1 2230a_100000685342_100000188475 [0,0,0,1,0,0|3,0,0]=4 1689 B13R1.1575 CCOC(=O)CN1CCCOCC1 269982a_100000685342_100000188475 [0,0,0,1,0,0|3,0,0]=4 1690 B13R1.1575 CCOC(=O)CN1CCCOCC1 34a_100000685342_100000188475 [0,0,0,1,0,0|3,0,0]=4 1691 B13R1.1575 CNNC(=O)CC1CCCCCC1 22a_100016993582_100000685095 [0,0,0,1,0,0|3,0,0]=4 1692 B13R1.1575 COCC(=O)CC1CCCCCC1 1458a_100000210968_200000696569 [0,0,0,1,0,0|3,0,0]=4 1693 B13R1.1575 CSCC(=O)CC1CCCCCC1 1458a_100000184570_200000696569 [0,0,0,1,0,0|3,0,0]=4 1694 B13R1.1575 O=C(CCF)CC1CCCCCC1 1458a_100000685095_100011217306 [0,0,0,1,0,0|3,0,0]=4 1695 B13R1.1575 O=C(CCO)CC1CCCCCC1 1458a_100000685095_100000211926 [0,0,0,1,0,0|3,0,0]=4 1696 B13R1.1575 O=C(CCO)CC1CCCCCC1 1458a_100011216618_200000696569 [0,0,0,1,0,0|3,0,0]=4 1697 B13R1.2570 C#CCC(=O)CC1(CCCCC1)O 1458a_100000755886_100000184674 [0,0,0,1,0,0|1,0,2]=4 1698 B13R1.2570 C=CCC(=O)CC1(CCCCC1)O 1458a_100000755886_100000210623 [0,0,0,1,0,0|1,0,2]=4 1699 B13R1.2570 CCCC(=O)CC1(CCCCC1)O 1458a_100000755886_100000210303 [0,0,0,1,0,0|1,0,0]=2 1700 B13R1.2570 CCCC(=O)NC1(CCCCC1)C 11a_100000741114_100000211992 [0,0,0,1,0,0|3,0,0]=4 1701 B13R1.2570 CCCC(=O)NC1(CCCCC1)C 1626a_100000741114_100000211992 [0,0,0,1,0,0|3,0,0]=4 1702 B13R1.2570 CCCC(=O)NC1(CCCCC1)C 240690a_100000741114_100000211992 [0,0,0,1,0,0|3,0,0]=4 1703 B13R1.2570 CCCC(=O)NC1(CCCCC1)C 527a_100000741114_100000211992 [0,0,0,1,0,0|3,0,0]=4 1704 B13R1.2570 CCNC(=O)CC1(CCCCC1)O 240690a_100015525214_100000755886 [0,0,0,1,0,0|1,0,0]=2 1705 B13R1.2570 CCNC(=O)CC1(CCCCC1)O 527a_100015525214_100000755886 [0,0,0,1,0,0|1,0,0]=2 1706 B13R1.2570 CCNC(=O)NC1(CCCCC1)C 2708a_100015525214_100000741114 [0,0,0,1,0,0|3,0,0]=4 1707 B13R1.2570 CCNC(=O)NC1(CCCCC1)C 273464a_100000741114_100015525214 [0,0,0,1,0,0|3,0,0]=4 1708 B13R1.2570 CCNC(=O)NC1(CCCCC1)C 273464a_100015525214_100000741114 [0,0,0,1,0,0|3,0,0]=4 1709 B13R1.2570 CCNC(=O)NC1(CCCCC1)C 512a_100000741114_100015525214 [0,0,0,1,0,0|3,0,0]=4 1710 B13R1.2570 CNNC(=O)CC1(CCCCC1)O 22a_100016993582_100000755886 [0,0,0,1,0,0|2,0,0]=3 1711 B13R1.2570 N#CCC(=O)CC1(CCCCC1)O 1458a_100000755886_100011214920 [0,0,0,1,0,0|2,0,1]=4 1712 B13R1.2570 O=C(CCF)CC1(CCCCC1)O 1458a_100000755886_100011217306 [0,0,0,1,0,0|2,0,0]=3 1713 B13R1.2570 O=C(CCO)CC1(CCCCC1)O 1458a_100000755886_100000211926 [0,0,0,1,0,0|2,0,0]=3 1714 B13R1.2844 CCCC(=O)CC(=O)C1CC1CC 1458a_200011661523_100000747444 [0,0,0,1,0,0|1,0,2]=4 1715 B13R1.2844 CCNC(=O)CC(=O)C1CC1CC 1458a_200011661523_100000183381 [0,0,0,1,0,0|1,0,2]=4 1716 B13R1.2844 CCOC(=O)CC(=O)C1CC1CC 1458a_200011661523_100000188475 [0,0,0,1,0,0|0,0,2]=3 1717 B13R1.2845 CCOC(=O)CC(C)N[C@@H]1C[C@@H]1F 2230a_100015190264_100009817359 [0,0,0,1,0,0|3,0,0]=4 1718 B13R1.2845 CCOC(=O)CC(C)N[C@@H]1C[C@H]1F 2230a_100025746932_100009817359 [0,0,0,1,0,0|3,0,0]=4 1719 B13R1.2846 CCCC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000747444 [0,0,0,1,0,0|1,0,2]=4 1720 B13R1.2846 CCCC(=O)CN(C)CC1CCC1 2230a_200000750244_100000747444 [0,0,0,1,0,0|3,0,0]=4 1721 B13R1.2846 CCCC(=O)CN(C)CC1CCC1 269982a_200000750244_100000747444 [0,0,0,1,0,0|3,0,0]=4 1722 B13R1.2846 CCNC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000183381 [0,0,0,1,0,0|1,0,2]=4 1723 B13R1.2846 CCNC(=O)CN(C)CC1CCC1 2230a_100000741943_100000763275 [0,0,0,1,0,0|3,0,0]=4 1724 B13R1.2846 CCNC(=O)CN(C)CC1CCC1 2230a_200000750244_100000183381 [0,0,0,1,0,0|3,0,0]=4 1725 B13R1.2846 CCNC(=O)CN(C)CC1CCC1 269982a_100000741943_100000763275 [0,0,0,1,0,0|3,0,0]=4 1726 B13R1.2846 CCNC(=O)CN(C)CC1CCC1 269982a_200000750244_100000183381 [0,0,0,1,0,0|3,0,0]=4 1727 B13R1.2846 CCNC(=O)CN(C)CC1CCC1 34a_200000750244_100000183381 [0,0,0,1,0,0|3,0,0]=4 1728 B13R1.2846 CCOC(=O)CC(=O)CC1CCC1 1458a_100000243816_100000763275 [0,0,0,1,0,0|0,0,2]=3 1729 B13R1.2846 CCOC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000188475 [0,0,0,1,0,0|0,0,2]=3 1730 B13R1.2846 CCOC(=O)CC(=O)CC1CCO1 1458a_100000243816_100000103362 [0,0,0,1,0,0|1,0,2]=4 1731 B13R1.2846 CCOC(=O)CC(=O)CC1COC1 1458a_100000243816_100010264016 [0,0,0,1,0,0|1,0,2]=4 1732 B13R1.2846 CCOC(=O)CC(=O)CC1COC1 1458a_100000687760_100000188475 [0,0,0,1,0,0|1,0,2]=4 1733 B13R1.2846 CCOC(=O)CC(=O)CN1CCC1 269982a_100000754969_100000210311 [0,0,0,1,0,0|1,0,2]=4 1734 B13R1.2846 CCOC(=O)CC(=O)NC1CCC1 240690a_100000749019_100000243816 [0,0,0,1,0,0|1,0,2]=4 1735 B13R1.2846 CCOC(=O)CC(C)NC1CCC1 2230a_100000749019_100009817359 [0,0,0,1,0,0|2,0,0]=3 1736 B13R1.2846 CCOC(=O)CC(C)NC1COC1 2230a_100016991112_100009817359 [0,0,0,1,0,0|3,0,0]=4 1737 B13R1.2846 CCOC(=O)CC(C)OC1CSC1 7a_100000072292_100009817359 [0,0,0,1,0,0|3,0,0]=4 1738 B13R1.2846 CCOC(=O)CC(C)SC1CCC1 62a_100009817359_100000749161 [0,0,0,1,0,0|2,0,0]=3 1739 B13R1.2846 CCOC(=O)CC(C)SC1COC1 62a_100009817359_100009818527 [0,0,0,1,0,0|3,0,0]=4 1740 B13R1.2846 CCOC(=O)CN(C)CC1CCC1 2230a_100000220588_100000763275 [0,0,0,1,0,0|2,0,0]=3 1741 B13R1.2846 CCOC(=O)CN(C)CC1CCC1 2230a_200000750244_100000188475 [0,0,0,1,0,0|2,0,0]=3 1742 B13R1.2846 CCOC(=O)CN(C)CC1CCC1 269982a_200000750244_100000188475 [0,0,0,1,0,0|2,0,0]=3 1743 B13R1.2846 CCOC(=O)CN(C)CC1CCC1 34a_200000750244_100000188475 [0,0,0,1,0,0|2,0,0]=3 1744 B13R1.2846 CCOC(=O)CN(C)CC1CCO1 2230a_100000220588_100000103362 [0,0,0,1,0,0|3,0,0]=4 1745 B13R1.2846 CCOC(=O)CN(C)CC1COC1 2230a_100000220588_100010264016 [0,0,0,1,0,0|3,0,0]=4 1746 B13R1.2846 CCOC(=O)C[C@@H](C)OC1COC1 7a_100009816390_100009818527 [0,0,0,1,0,0|3,0,0]=4 1747 B13R1.2846 CCOC(=O)C[C@H](O)CN1CCC1 269982a_100000754969_100000688340 [0,0,0,1,0,0|1,0,0]=2 1748 B13R1.2846 CCOC(=O)OC(C)SC1CCC1 62a_100000036008_100000749161 [0,0,0,1,0,0|3,0,0]=4 1749 B13R1.2847 CCCC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000747444 [0,0,0,1,0,0|1,0,2]=4 1750 B13R1.2847 CCNC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000183381 [0,0,0,1,0,0|1,0,2]=4 1751 B13R1.2847 CCNC(=O)CN(C)CCC1CC1 2230a_100000741943_100000694398 [0,0,0,1,0,0|3,0,0]=4 1752 B13R1.2847 CCNC(=O)CN(C)CCC1CC1 269982a_100000741943_100000694398 [0,0,0,1,0,0|3,0,0]=4 1753 B13R1.2847 CCOC(=O)CC(=O)CCC1CC1 1458a_100000243816_100000694398 [0,0,0,1,0,0|0,0,2]=3 1754 B13R1.2847 CCOC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000188475 [0,0,0,1,0,0|0,0,2]=3 1755 B13R1.2847 CCOC(=O)CC(=O)CCC1CO1 1458a_100000243816_100000732470 [0,0,0,1,0,0|1,0,2]=4 1756 B13R1.2847 CCOC(=O)CC(=O)CSC1CC1 62a_100000210311_100000211595 [0,0,0,1,0,0|1,0,2]=4 1757 B13R1.2847 CCOC(=O)CC(=O)NCC1CC1 240690a_100000735609_100000243816 [0,0,0,1,0,0|1,0,2]=4 1758 B13R1.2847 CCOC(=O)CC(C)NCC1CC1 2230a_100000735609_100009817359 [0,0,0,1,0,0|2,0,0]=3 1759 B13R1.2847 CCOC(=O)CC(C)SCC1CC1 62a_100000756562_100009817359 [0,0,0,1,0,0|2,0,0]=3 1760 B13R1.2847 CCOC(=O)CC(C)SCC1CC1 62a_100009817359_100000742324 [0,0,0,1,0,0|2,0,0]=3 1761 B13R1.2847 CCOC(=O)CC(C)SCC1CO1 62a_100009817359_102125554688 [0,0,0,1,0,0|3,0,0]=4 1762 B13R1.2847 CCOC(=O)CC(C)SCC1CO1 62a_102125554688_100009817359 [0,0,0,1,0,0|3,0,0]=4 1763 B13R1.2847 CCOC(=O)CC(C)SCC1CS1 62a_100000031435_100009817359 [0,0,0,1,0,0|3,0,0]=4 1764 B13R1.2847 CCOC(=O)CC(C)SCC1CS1 62a_100009817359_100000031435 [0,0,0,1,0,0|3,0,0]=4 1765 B13R1.2847 CCOC(=O)CC(C)SC[C@@H]1CO1 62a_100000745022_100009817359 [0,0,0,1,0,0|3,0,0]=4 1766 B13R1.2847 CCOC(=O)CC(C)SC[C@@H]1CO1 62a_100009817359_100000745022 [0,0,0,1,0,0|3,0,0]=4 1767 B13R1.2847 CCOC(=O)CN(C)CCC1CC1 2230a_100000220588_100000694398 [0,0,0,1,0,0|2,0,0]=3 1768 B13R1.2847 CCOC(=O)CN(C)CCC1CO1 2230a_100000220588_100000732470 [0,0,0,1,0,0|3,0,0]=4 1769 B13R1.2847 CCOC(=O)C[C@@H](C)OCC1CC1 7a_100009816390_100000742324 [0,0,0,1,0,0|2,0,0]=3 1770 B13R1.2847 CCOC(=O)C[C@@H](C)OCC1CO1 7a_100009816390_102125554688 [0,0,0,1,0,0|3,0,0]=4 1771 B13R1.2847 CCOC(=O)C[C@@H](C)OCC1CS1 7a_100009816390_100000031435 [0,0,0,1,0,0|3,0,0]=4 1772 B13R1.2847 CCOC(=O)C[C@@H](C)OC[C@@H]1CO1 7a_100009816390_100000745022 [0,0,0,1,0,0|3,0,0]=4 1773 B13R1.2847 CCOC(=O)C[C@H](O)CNC1CC1 34a_100000212008_100000688340 [0,0,0,1,0,0|1,0,0]=2 1774 B13R1.2847 CCOC(=O)C[C@H](O)CSC1CC1 62a_100000688340_100000211595 [0,0,0,1,0,0|1,0,0]=2 1775 B13R1.2847 CCOC(=O)OC(C)SCC1CC1 62a_100000036008_100000742324 [0,0,0,1,0,0|3,0,0]=4 1776 B13R1.2847 CCOC(=O)OC(C)SCC1CC1 62a_100000756562_100000036008 [0,0,0,1,0,0|3,0,0]=4 1777 B13R1.2848 CCOC(=O)CC(=O)N1CCC1C 240690a_100000755817_100000243816 [0,0,0,1,0,0|1,0,2]=4 1778 B13R1.2848 CCOC(=O)CC(C)N1CCC1C 269982a_100000755817_100009817359 [0,0,0,1,0,0|2,0,0]=3 1779 B13R1.2848 CCOC(=O)OC(C)N1CCC1C 269982a_100000755817_100000036008 [0,0,0,1,0,0|3,0,0]=4 1780 B13R1.2969 CCCCCC(=O)CC(=O)C1CC1 1458a_100000210395_200012276598 [0,0,0,1,0,0|1,0,2]=4 1781 B13R1.2969 CCCCCC(=O)CC(=O)C1CC1 1458a_100000212188_100000746382 [0,0,0,1,0,0|1,0,2]=4 1782 B13R1.2969 CCCCCC(C)NC(=O)C1CC1 11a_100000211957_100000210395 [0,0,0,1,0,0|3,0,0]=4 1783 B13R1.2969 CCCCCC(C)NC(=O)C1CC1 1626a_100000211957_100000210395 [0,0,0,1,0,0|3,0,0]=4 1784 B13R1.2969 CCCCCC(C)NC(=O)C1CC1 240690a_100000211957_100000210395 [0,0,0,1,0,0|3,0,0]=4 1785 B13R1.2969 CCCCCC(C)NC(=O)C1CC1 527a_100000211957_100000210395 [0,0,0,1,0,0|3,0,0]=4 1786 B13R1.2969 CCCCCN(C)CC(=O)C1CC1 2230a_100000223495_100000746382 [0,0,0,1,0,0|3,0,0]=4 1787 B13R1.2969 CCCCCN(C)CC(=O)C1CC1 269982a_100000223495_100000746382 [0,0,0,1,0,0|3,0,0]=4 1788 B13R1.4034 CCOC(=O)CC1CC(C1)OCC 7a_100010742785_100000210202 [0,0,0,1,0,0|2,0,0]=3 1789 B13R1.4034 CCOC(=O)CC1CC(C1)OCF 7a_100010742785_100015361967 [0,0,0,1,0,0|3,0,0]=4 1790 B13R1.4034 CCOC(=O)CN1CC(C1)COC 2230a_100016993750_100000188475 [0,0,0,1,0,0|3,0,0]=4 1791 B13R1.4034 CCOC(=O)CN1CC(C1)COC 269982a_100016993750_100000188475 [0,0,0,1,0,0|3,0,0]=4 1792 B13R1.4034 CCOC(=O)CN1CC(C1)COC 34a_100016993750_100000188475 [0,0,0,1,0,0|3,0,0]=4 1793 B13R1.4034 CCOC(=O)CN1CC(C1)OCC 269982a_100000732654_100000188475 [0,0,0,1,0,0|3,0,0]=4 1794 B13R1.4034 CCOC(=O)CN1CC(C1)OCC 34a_100000732654_100000188475 [0,0,0,1,0,0|3,0,0]=4 1795 B13R1.4453 CCCC(=O)N1C(CCCC1C)C 11a_100000210447_100000211992 [0,0,0,1,0,0|3,0,0]=4 1796 B13R1.4453 CCCC(=O)N1C(CCCC1C)C 240690a_100000210447_100000211992 [0,0,0,1,0,0|3,0,0]=4 1797 B13R1.4453 CCNC(=O)N1C(CCCC1C)C 2708a_100015525214_100000210447 [0,0,0,1,0,0|3,0,0]=4 1798 B13R1.4453 CCNC(=O)N1C(CCCC1C)C 273464a_100015525214_100000210447 [0,0,0,1,0,0|3,0,0]=4 1799 B11R0.155 C=C(COCCC)C(=O)OCC 34a_100000210258_100000755967 [0,0,0,0,1,0|2,0,1]=4 1800 B11R0.155 C=C(CSCCC)C(=O)OCC 62a_100000210303_100000755967 [0,0,0,0,1,0|2,0,1]=4 1801 B11R0.155 C=C(CSCCC)C(=O)OCC 62a_100000755967_100000210303 [0,0,0,0,1,0|2,0,1]=4 1802 B11R0.155 CC#CC(=O)C(C)CCCCC 1458a_100000763181_200011218191 [0,0,0,0,1,0|2,0,1]=4 1803 B11R0.155 CC=CC(=O)C(C)CCCCC 1458a_100000210699_200011218191 [0,0,0,0,1,0|2,0,1]=4 1804 B11R0.155 CCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210326 [0,0,0,0,1,0|1,0,2]=4 1805 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100000211992_200011218191 [0,0,0,0,1,0|2,0,0]=3 1806 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100011215998_100000210303 [0,0,0,0,1,0|2,0,0]=3 1807 B11R0.155 CCCCCC(C)C(=O)CCF 1458a_100011215998_100011217306 [0,0,0,0,1,0|3,0,0]=4 1808 B11R0.155 CCCCCC(C)C(=O)CCO 1458a_100011215998_100000211926 [0,0,0,0,1,0|3,0,0]=4 1809 B11R0.155 CCCCCC(C)C(=O)CCO 1458a_100011216618_200011218191 [0,0,0,0,1,0|3,0,0]=4 1810 B11R0.155 CCCCCC(C)C(=O)COC 1458a_100000210968_200011218191 [0,0,0,0,1,0|3,0,0]=4 1811 B11R0.155 CCCCCC(C)C(=O)CSC 1458a_100000184570_200011218191 [0,0,0,0,1,0|3,0,0]=4 1812 B11R0.155 CCCCCC(C)C(=O)NCC 11a_100015525214_100011215998 [0,0,0,0,1,0|2,0,0]=3 1813 B11R0.155 CCCCCC(C)C(=O)NCC 240690a_100015525214_100011215998 [0,0,0,0,1,0|2,0,0]=3 1814 B11R0.155 CCCCCC(C)C(=O)NCC 527a_100015525214_100011215998 [0,0,0,0,1,0|2,0,0]=3 1815 B11R0.155 CCCCCC(C)C(=O)NNC 22a_100016993582_100011215998 [0,0,0,0,1,0|3,0,0]=4 1816 B11R0.155 CCCCCN(C)C(=O)CCC 11a_100000223495_100000211992 [0,0,0,0,1,0|3,0,0]=4 1817 B11R0.155 CCCCCN(C)C(=O)CCC 1626a_100000223495_100000211992 [0,0,0,0,1,0|3,0,0]=4 1818 B11R0.155 CCCCCN(C)C(=O)CCC 240690a_100000223495_100000211992 [0,0,0,0,1,0|3,0,0]=4 1819 B11R0.155 CCCCCN(C)C(=O)CCC 527a_100000223495_100000211992 [0,0,0,0,1,0|3,0,0]=4 1820 B11R0.155 CCCCCN(C)C(=O)NCC 2708a_100015525214_100000223495 [0,0,0,0,1,0|3,0,0]=4 1821 B11R0.155 CCCCCN(C)C(=O)NCC 273464a_100015525214_100000223495 [0,0,0,0,1,0|3,0,0]=4 1822 B11R0.155 CCCCNC(=O)C(=O)OCC 11a_100000102301_100014798877 [0,0,0,0,1,0|1,0,2]=4 1823 B11R0.155 CCCCNC(=O)C(=O)OCC 1626a_100000102301_100014798877 [0,0,0,0,1,0|1,0,2]=4 1824 B11R0.155 CCCCNC(=O)C(=O)OCC 240690a_100000102301_100014798877 [0,0,0,0,1,0|1,0,2]=4 1825 B11R0.155 CCCCNC(C)C(=O)NCC 2230a_100000102301_100000230173 [0,0,0,0,1,0|3,0,0]=4 1826 B11R0.155 CCCCNC(C)C(=O)NCC 2230a_100000736553_100000210211 [0,0,0,0,1,0|3,0,0]=4 1827 B11R0.155 CCCCNC(C)C(=O)NCC 34a_100000736553_100000210210 [0,0,0,0,1,0|3,0,0]=4 1828 B11R0.155 CCCCNC(C)C(=O)NCC 7a_106832991798_100000230173 [0,0,0,0,1,0|3,0,0]=4 1829 B11R0.155 CCCCNC(C)C(=O)OCC 2230a_100000102301_100011215307 [0,0,0,0,1,0|2,0,0]=3 1830 B11R0.155 CCCCNC(C)C(=O)OCC 7a_106832991798_100011216346 [0,0,0,0,1,0|2,0,0]=3 1831 B11R0.155 CCCCNC(F)C(=O)OCC 2230a_100000102301_100000760018 [0,0,0,0,1,0|2,0,0]=3 1832 B11R0.155 CCCCNC(F)C(=O)OCC 7a_106832991798_100000040065 [0,0,0,0,1,0|2,0,0]=3 1833 B11R0.155 CCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210211 [0,0,0,0,1,0|2,1,0]=4 1834 B11R0.155 CCCCOC(C)C(=O)NCC 34a_100000210227_100000230173 [0,0,0,0,1,0|3,0,0]=4 1835 B11R0.155 CCCCOC(C)C(=O)NCC 7a_100000210227_100000230173 [0,0,0,0,1,0|3,0,0]=4 1836 B11R0.155 CCCCOC(C)C(=O)OCC 34a_100000210227_100011216346 [0,0,0,0,1,0|2,0,0]=3 1837 B11R0.155 CCCCOC(C)C(=O)OCC 7a_100000210227_100011216346 [0,0,0,0,1,0|2,0,0]=3 1838 B11R0.155 CCCCOC(F)C(=O)OCC 34a_100000210227_100000760018 [0,0,0,0,1,0|2,0,0]=3 1839 B11R0.155 CCCCOC(F)C(=O)OCC 7a_100000210227_100000040065 [0,0,0,0,1,0|2,0,0]=3 1840 B11R0.155 CCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210211 [0,0,0,0,1,0|2,0,0]=3 1841 B11R0.155 CCCCSC(C)C(=O)CCC 1458a_100000191163_100000210303 [0,0,0,0,1,0|3,0,0]=4 1842 B11R0.155 CCCCSC(C)C(=O)NCC 11a_100015525214_100000191163 [0,0,0,0,1,0|3,0,0]=4 1843 B11R0.155 CCCCSC(C)C(=O)NCC 240690a_100015525214_100000191163 [0,0,0,0,1,0|3,0,0]=4 1844 B11R0.155 CCCCSC(C)C(=O)NCC 527a_100015525214_100000191163 [0,0,0,0,1,0|3,0,0]=4 1845 B11R0.155 CCCCSC(C)C(=O)NCC 62a_100000210211_100000230173 [0,0,0,0,1,0|3,0,0]=4 1846 B11R0.155 CCCCSC(C)C(=O)NCC 62a_100000230173_100000210210 [0,0,0,0,1,0|3,0,0]=4 1847 B11R0.155 CCCCSC(C)C(=O)OCC 62a_100000210211_100011216346 [0,0,0,0,1,0|2,0,0]=3 1848 B11R0.155 CCCCSC(C)C(=O)OCC 62a_100011216346_100000210210 [0,0,0,0,1,0|2,0,0]=3 1849 B11R0.155 CCCCSC(F)C(=O)OCC 62a_100000210211_100000760018 [0,0,0,0,1,0|2,0,0]=3 1850 B11R0.155 CCCCSC(F)C(=O)OCC 62a_100000760018_100000210210 [0,0,0,0,1,0|2,0,0]=3 1851 B11R0.155 CCCSCC(=O)C(=O)OCC 62a_100000210303_100000211299 [0,0,0,0,1,0|1,0,2]=4 1852 B11R0.155 CCCSCC(=O)C(=O)OCC 62a_100000211299_100000210303 [0,0,0,0,1,0|1,0,2]=4 1853 B11R0.155 CCOC(=O)C(C)NCCCF 2230a_100015189416_100011215307 [0,0,0,0,1,0|3,0,0]=4 1854 B11R0.155 CCOC(=O)C(C)NCCCF 34a_100015189416_100011216346 [0,0,0,0,1,0|3,0,0]=4 1855 B11R0.155 CCOC(=O)C(C)NCCOC 2230a_100000209980_100011215307 [0,0,0,0,1,0|3,0,0]=4 1856 B11R0.155 CCOC(=O)C(C)NCCSC 2230a_100020590264_100011215307 [0,0,0,0,1,0|3,0,0]=4 1857 B11R0.155 CCOC(=O)C(C)OCCCBr 34a_100011217188_100011216346 [0,0,0,0,1,0|3,0,0]=4 1858 B11R0.155 CCOC(=O)C(C)OCCCCl 34a_100000230001_100011216346 [0,0,0,0,1,0|3,0,0]=4 1859 B11R0.155 CCOC(=O)C(C)OCCCF 34a_100000759539_100011216346 [0,0,0,0,1,0|3,0,0]=4 1860 B11R0.155 CCOC(=O)C(C)OCCCN 34a_100000182051_100011216346 [0,0,0,0,1,0|3,0,0]=4 1861 B11R0.155 CCOC(=O)C(C)OCCOC 34a_100000210237_100011216346 [0,0,0,0,1,0|3,0,0]=4 1862 B11R0.155 CCOC(=O)C(C)OCCSC 34a_100000230434_100011216346 [0,0,0,0,1,0|3,0,0]=4 1863 B11R0.155 CCOC(=O)C(C)OCCSC 7a_100000230434_100011216346 [0,0,0,0,1,0|3,0,0]=4 1864 B11R0.155 CCOC(=O)C(C)SCCCF 62a_100011216346_100011934791 [0,0,0,0,1,0|3,0,0]=4 1865 B11R0.155 CCOC(=O)C(C)SCCCF 62a_100011934791_100011216346 [0,0,0,0,1,0|3,0,0]=4 1866 B11R0.155 CCOC(=O)C(C)SCCCO 62a_100011215043_100011216346 [0,0,0,0,1,0|3,0,0]=4 1867 B11R0.155 CCOC(=O)C(C)SCCCO 62a_100011216346_100011215043 [0,0,0,0,1,0|3,0,0]=4 1868 B11R0.155 CCOC(=O)C(C)SCCOC 62a_100000233755_100011216346 [0,0,0,0,1,0|3,0,0]=4 1869 B11R0.155 CCOC(=O)C(C)SCCOC 62a_100011216346_100000233755 [0,0,0,0,1,0|3,0,0]=4 1870 B11R0.155 CCOC(=O)C(C)SCCSC 62a_100000212216_100011216346 [0,0,0,0,1,0|3,0,0]=4 1871 B11R0.155 CCOC(=O)C(C)SCCSC 62a_100011216346_100000751147 [0,0,0,0,1,0|3,0,0]=4 1872 B11R0.155 CCOC(=O)C(F)NCCCF 2230a_100015189416_100000760018 [0,0,0,0,1,0|3,0,0]=4 1873 B11R0.155 CCOC(=O)C(F)NCCCF 34a_100015189416_100000760018 [0,0,0,0,1,0|3,0,0]=4 1874 B11R0.155 CCOC(=O)C(F)NCCOC 2230a_100000209980_100000760018 [0,0,0,0,1,0|3,0,0]=4 1875 B11R0.155 CCOC(=O)C(F)NCCSC 2230a_100020590264_100000760018 [0,0,0,0,1,0|3,0,0]=4 1876 B11R0.155 CCOC(=O)C(F)OCCCBr 34a_100011217188_100000760018 [0,0,0,0,1,0|3,0,0]=4 1877 B11R0.155 CCOC(=O)C(F)OCCCCl 34a_100000230001_100000760018 [0,0,0,0,1,0|3,0,0]=4 1878 B11R0.155 CCOC(=O)C(F)OCCCF 34a_100000759539_100000760018 [0,0,0,0,1,0|3,0,0]=4 1879 B11R0.155 CCOC(=O)C(F)OCCCN 34a_100000182051_100000760018 [0,0,0,0,1,0|3,0,0]=4 1880 B11R0.155 CCOC(=O)C(F)OCCOC 34a_100000210237_100000760018 [0,0,0,0,1,0|3,0,0]=4 1881 B11R0.155 CCOC(=O)C(F)OCCSC 34a_100000230434_100000760018 [0,0,0,0,1,0|3,0,0]=4 1882 B11R0.155 CCOC(=O)C(F)OCCSC 7a_100000230434_100000040065 [0,0,0,0,1,0|3,0,0]=4 1883 B11R0.155 CCOC(=O)C(F)SCCCF 62a_100000760018_100011934791 [0,0,0,0,1,0|3,0,0]=4 1884 B11R0.155 CCOC(=O)C(F)SCCCF 62a_100011934791_100000760018 [0,0,0,0,1,0|3,0,0]=4 1885 B11R0.155 CCOC(=O)C(F)SCCCO 62a_100000760018_100011215043 [0,0,0,0,1,0|3,0,0]=4 1886 B11R0.155 CCOC(=O)C(F)SCCCO 62a_100011215043_100000760018 [0,0,0,0,1,0|3,0,0]=4 1887 B11R0.155 CCOC(=O)C(F)SCCOC 62a_100000233755_100000760018 [0,0,0,0,1,0|3,0,0]=4 1888 B11R0.155 CCOC(=O)C(F)SCCOC 62a_100000760018_100000233755 [0,0,0,0,1,0|3,0,0]=4 1889 B11R0.155 CCOC(=O)C(F)SCCSC 62a_100000212216_100000760018 [0,0,0,0,1,0|3,0,0]=4 1890 B11R0.155 CCOC(=O)C(F)SCCSC 62a_100000760018_100000751147 [0,0,0,0,1,0|3,0,0]=4 1891 B11R0.155 CCOC(=O)[C@H](C)OCCCF 7a_100000751109_100011934791 [0,0,0,0,1,0|3,0,0]=4 1892 B11R0.155 CCOC(=O)[C@H](C)OCCCO 7a_100000751109_100011215043 [0,0,0,0,1,0|3,0,0]=4 1893 B11R0.155 CCOC(=O)[C@H](C)OCCOC 7a_100000751109_100000233755 [0,0,0,0,1,0|3,0,0]=4 1894 B11R0.155 CCOC(=O)[C@H](C)OCCSC 7a_100000751109_100000212216 [0,0,0,0,1,0|3,0,0]=4 1895 B11R0.155 CCOCSC(C)C(=O)OCC 62a_100000739092_100011216346 [0,0,0,0,1,0|3,0,0]=4 1896 B11R0.155 CCOCSC(C)C(=O)OCC 62a_100011216346_100000739092 [0,0,0,0,1,0|3,0,0]=4 1897 B11R0.155 CCOCSC(F)C(=O)OCC 62a_100000739092_100000760018 [0,0,0,0,1,0|3,0,0]=4 1898 B11R0.155 CCOCSC(F)C(=O)OCC 62a_100000760018_100000739092 [0,0,0,0,1,0|3,0,0]=4 1899 B13R0.193 C=COC(=O)CNC(C)CCCCC 2230a_100000211957_100000036128 [0,0,0,0,0,1|1,0,2]=4 1900 B13R0.193 C=COC(=O)COC(C)CCCCC 34a_100011215632_100000036128 [0,0,0,0,0,1|1,0,2]=4 1901 B13R0.193 C=COC(=O)CSC(C)CCCCC 62a_100000036128_200011218191 [0,0,0,0,0,1|1,0,2]=4 1902 B13R0.193 C=COC(=O)CSC(C)CCCCC 62a_200011218191_100000036128 [0,0,0,0,0,1|1,0,2]=4 1903 B13R0.193 CCC#CCC(C)OCC(=O)OCC 34a_200000035118_100000188475 [0,0,0,0,0,1|1,0,2]=4 1904 B13R0.193 CCC#CCC(C)OCC(=O)OCC 7a_200000035118_100000188475 [0,0,0,0,0,1|1,0,2]=4 1905 B13R0.193 CCCC(=O)COC(C)CCCOC 7a_200011539412_100000747444 [0,0,0,0,0,1|3,0,0]=4 1906 B13R0.193 CCCCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210326 [0,0,0,0,0,1|0,0,3]=4 1907 B13R0.193 CCCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210326 [0,0,0,0,0,1|1,0,2]=4 1908 B13R0.193 CCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210326 [0,0,0,0,0,1|0,0,2]=3 1909 B13R0.193 CCCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210326 [0,0,0,0,0,1|0,0,2]=3 1910 B13R0.193 CCCCCC(=O)COC(=O)CCC 1458a_100000212188_100000034017 [0,0,0,0,0,1|1,0,2]=4 1911 B13R0.193 CCCCCC(=O)NCC(=O)NCC 11a_100016988866_100000212188 [0,0,0,0,0,1|1,0,2]=4 1912 B13R0.193 CCCCCC(=O)NCC(=O)NCC 1626a_100016988866_100000212188 [0,0,0,0,0,1|1,0,2]=4 1913 B13R0.193 CCCCCC(=O)NCC(=O)NCC 240690a_100016988866_100000212188 [0,0,0,0,0,1|1,0,2]=4 1914 B13R0.193 CCCCCC(=O)NCC(=O)NCC 527a_100016988866_100000212188 [0,0,0,0,0,1|1,0,2]=4 1915 B13R0.193 CCCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000212188 [0,0,0,0,0,1|0,0,2]=3 1916 B13R0.193 CCCCCC(C)CCC(=O)CCC 1458a_100000034243_100000210303 [0,0,0,0,0,1|2,0,0]=3 1917 B13R0.193 CCCCCC(C)CCC(=O)CCF 1458a_100000034243_100011217306 [0,0,0,0,0,1|3,0,0]=4 1918 B13R0.193 CCCCCC(C)CCC(=O)CCO 1458a_100000034243_100000211926 [0,0,0,0,0,1|3,0,0]=4 1919 B13R0.193 CCCCCC(C)CCC(=O)NCC 11a_100015525214_100000034243 [0,0,0,0,0,1|2,0,0]=3 1920 B13R0.193 CCCCCC(C)CCC(=O)NCC 240690a_100015525214_100000034243 [0,0,0,0,0,1|2,0,0]=3 1921 B13R0.193 CCCCCC(C)CCC(=O)NCC 527a_100015525214_100000034243 [0,0,0,0,0,1|2,0,0]=3 1922 B13R0.193 CCCCCC(C)CCC(=O)NNC 22a_100016993582_100000034243 [0,0,0,0,0,1|3,0,0]=4 1923 B13R0.193 CCCCCC(C)NCC(=O)CCC 2230a_100000211957_100000747444 [0,0,0,0,0,1|2,0,0]=3 1924 B13R0.193 CCCCCC(C)NCC(=O)NCC 2230a_100000211957_100000183381 [0,0,0,0,0,1|2,0,0]=3 1925 B13R0.193 CCCCCC(C)NCC(=O)NCC 2230a_100016988866_200011218191 [0,0,0,0,0,1|2,0,0]=3 1926 B13R0.193 CCCCCC(C)NCC(=O)NCC 270004a_100016988866_100000211708 [0,0,0,0,0,1|2,0,0]=3 1927 B13R0.193 CCCCCC(C)NCC(=O)NCO 2230a_100000211957_100000185155 [0,0,0,0,0,1|3,0,0]=4 1928 B13R0.193 CCCCCC(C)NCC(=O)OCC 2230a_100000211957_100000188475 [0,0,0,0,0,1|1,0,0]=2 1929 B13R0.193 CCCCCC(C)OCC(=O)CCC 7a_100011215632_100000747444 [0,0,0,0,0,1|2,0,0]=3 1930 B13R0.193 CCCCCC(C)OCC(=O)NCC 34a_100011215632_100000183381 [0,0,0,0,0,1|2,0,0]=3 1931 B13R0.193 CCCCCC(C)OCC(=O)NCC 7a_100011215632_100000183381 [0,0,0,0,0,1|2,0,0]=3 1932 B13R0.193 CCCCCC(C)OCC(=O)NCO 34a_100011215632_100000185155 [0,0,0,0,0,1|3,0,0]=4 1933 B13R0.193 CCCCCC(C)OCC(=O)NCO 7a_100011215632_100000185155 [0,0,0,0,0,1|3,0,0]=4 1934 B13R0.193 CCCCCC(C)OCC(=O)OCC 34a_100011215632_100000188475 [0,0,0,0,0,1|1,0,0]=2 1935 B13R0.193 CCCCCC(C)OCC(=O)OCC 7a_100011215632_100000188475 [0,0,0,0,0,1|1,0,0]=2 1936 B13R0.193 CCCCCC(C)SCC(=O)CCC 62a_100000747444_200011218191 [0,0,0,0,0,1|2,0,0]=3 1937 B13R0.193 CCCCCC(C)SCC(=O)CCC 62a_200011218191_100000747444 [0,0,0,0,0,1|2,0,0]=3 1938 B13R0.193 CCCCCC(C)SCC(=O)NCC 62a_100000183381_200011218191 [0,0,0,0,0,1|2,0,0]=3 1939 B13R0.193 CCCCCC(C)SCC(=O)NCC 62a_200011218191_100000183381 [0,0,0,0,0,1|2,0,0]=3 1940 B13R0.193 CCCCCC(C)SCC(=O)NCO 62a_100000185155_200011218191 [0,0,0,0,0,1|3,0,0]=4 1941 B13R0.193 CCCCCC(C)SCC(=O)NCO 62a_200011218191_100000185155 [0,0,0,0,0,1|3,0,0]=4 1942 B13R0.193 CCCCCC(C)SCC(=O)OCC 62a_100000188475_200011218191 [0,0,0,0,0,1|1,0,0]=2 1943 B13R0.193 CCCCCC(C)SCC(=O)OCC 62a_200011218191_100000188475 [0,0,0,0,0,1|1,0,0]=2 1944 B13R0.193 CCCCCN(C)CCC(=O)CCC 1458a_100016987678_100000210303 [0,0,0,0,0,1|3,0,0]=4 1945 B13R0.193 CCCCCN(C)CCC(=O)NCC 2230a_100000223495_100000737597 [0,0,0,0,0,1|3,0,0]=4 1946 B13R0.193 CCCCCN(C)CCC(=O)NCC 240690a_100015525214_100016987678 [0,0,0,0,0,1|3,0,0]=4 1947 B13R0.193 CCCCCN(C)CCC(=O)NCC 269982a_100000223495_100000737597 [0,0,0,0,0,1|3,0,0]=4 1948 B13R0.193 CCCCCN(C)CCC(=O)OCC 2230a_100000223495_100011206558 [0,0,0,0,0,1|2,0,0]=3 1949 B13R0.193 CCCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210326 [0,0,0,0,0,1|2,0,0]=3 1950 B13R0.193 CCCCCN(C)CCC(=O)OCC 269982a_100000223495_100011206558 [0,0,0,0,0,1|2,0,0]=3 1951 B13R0.193 CCCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210215 [0,0,0,0,0,1|2,0,0]=3 1952 B13R0.193 CCCCCN(C)COC(=O)CCC 2230a_100000223495_100000034017 [0,0,0,0,0,1|3,0,0]=4 1953 B13R0.193 CCCCCN(C)COC(=O)CCC 269982a_100000223495_100000034017 [0,0,0,0,0,1|3,0,0]=4 1954 B13R0.193 CCCCNC(=O)CCC(=O)OCC 11a_100000102301_100000183558 [0,0,0,0,0,1|1,0,2]=4 1955 B13R0.193 CCCCNC(=O)CCC(=O)OCC 1626a_100000102301_100000183558 [0,0,0,0,0,1|1,0,2]=4 1956 B13R0.193 CCCCNC(=O)CCC(=O)OCC 240690a_100000102301_100000183558 [0,0,0,0,0,1|1,0,2]=4 1957 B13R0.193 CCCCNC(=O)CNC(=O)OCC 11a_100000102301_100000190774 [0,0,0,0,0,1|1,0,2]=4 1958 B13R0.193 CCCCNC(=O)CNC(=O)OCC 1626a_100000102301_100000190774 [0,0,0,0,0,1|1,0,2]=4 1959 B13R0.193 CCCCNC(=O)CNC(=O)OCC 240690a_100000102301_100000190774 [0,0,0,0,0,1|1,0,2]=4 1960 B13R0.193 CCCCNC(=O)CNC(=O)OCC 527a_100000102301_100000190774 [0,0,0,0,0,1|1,0,2]=4 1961 B13R0.193 CCCCNC(C)CCC(=O)OCC 2230a_100000102301_100000748298 [0,0,0,0,0,1|2,0,0]=3 1962 B13R0.193 CCCCNC(C)CCC(=O)OCC 7a_106832991798_100000748298 [0,0,0,0,0,1|2,0,0]=3 1963 B13R0.193 CCCCOC(C)CCC(=O)OCC 34a_100000210227_100000748298 [0,0,0,0,0,1|2,0,0]=3 1964 B13R0.193 CCCCOC(C)CCC(=O)OCC 7a_100000210227_100000748298 [0,0,0,0,0,1|2,0,0]=3 1965 B13R0.193 CCCCSC(C)CCC(=O)OCC 62a_100000210211_100000748298 [0,0,0,0,0,1|2,0,0]=3 1966 B13R0.193 CCCCSC(C)CCC(=O)OCC 62a_100000748298_100000210210 [0,0,0,0,0,1|2,0,0]=3 1967 B13R0.193 CCCOCC(=O)NCC(=O)OCC 188690a_100000741813_100000745993 [0,0,0,0,0,1|1,0,2]=4 1968 B13R0.193 CCCOCC(=O)NCC(=O)OCC 34a_100000210258_100011215850 [0,0,0,0,0,1|1,0,2]=4 1969 B13R0.193 CCCSCC(=O)NCC(=O)OCC 188690a_100000741813_100000217233 [0,0,0,0,0,1|1,0,2]=4 1970 B13R0.193 CCCSCC(=O)NCC(=O)OCC 62a_100000210303_100011215850 [0,0,0,0,0,1|1,0,2]=4 1971 B13R0.193 CCCSCC(=O)NCC(=O)OCC 62a_100011215850_100000210303 [0,0,0,0,0,1|1,0,2]=4 1972 B13R0.193 CCCSCC(C)NCC(=O)NCC 270004a_100016988866_100011343953 [0,0,0,0,0,1|3,0,0]=4 1973 B13R0.193 CCNC(=O)CNC(C)CCCSC 270004a_100016988866_100011399439 [0,0,0,0,0,1|3,0,0]=4 1974 B13R0.193 CCNC(=O)CNC(C)CCOCC 270004a_100016988866_200011216536 [0,0,0,0,0,1|3,0,0]=4 1975 B13R0.193 CCNC(=O)COC(C)CCCOC 34a_200011539412_100000183381 [0,0,0,0,0,1|3,0,0]=4 1976 B13R0.193 CCNC(=O)COC(C)CCCOC 7a_200011539412_100000183381 [0,0,0,0,0,1|3,0,0]=4 1977 B13R0.193 CCOC(=O)CCC(=O)CCCCF 1458a_100000183558_100000729493 [0,0,0,0,0,1|1,0,2]=4 1978 B13R0.193 CCOC(=O)CCC(=O)CCCCO 1458a_100000183558_100000210776 [0,0,0,0,0,1|1,0,2]=4 1979 B13R0.193 CCOC(=O)CCC(=O)CCCOC 1458a_100000183558_100000740836 [0,0,0,0,0,1|1,0,2]=4 1980 B13R0.193 CCOC(=O)CCC(=O)CCSCC 1458a_100000183558_100000757381 [0,0,0,0,0,1|1,0,2]=4 1981 B13R0.193 CCOC(=O)CCC(C)NCCCF 2230a_100015189416_100000748298 [0,0,0,0,0,1|3,0,0]=4 1982 B13R0.193 CCOC(=O)CCC(C)NCCCF 34a_100015189416_100000748298 [0,0,0,0,0,1|3,0,0]=4 1983 B13R0.193 CCOC(=O)CCC(C)NCCOC 2230a_100000209980_100000748298 [0,0,0,0,0,1|3,0,0]=4 1984 B13R0.193 CCOC(=O)CCC(C)NCCSC 2230a_100020590264_100000748298 [0,0,0,0,0,1|3,0,0]=4 1985 B13R0.193 CCOC(=O)CCC(C)OCCCBr 34a_100011217188_100000748298 [0,0,0,0,0,1|3,0,0]=4 1986 B13R0.193 CCOC(=O)CCC(C)OCCCCl 34a_100000230001_100000748298 [0,0,0,0,0,1|3,0,0]=4 1987 B13R0.193 CCOC(=O)CCC(C)OCCCF 34a_100000759539_100000748298 [0,0,0,0,0,1|3,0,0]=4 1988 B13R0.193 CCOC(=O)CCC(C)OCCCN 34a_100000182051_100000748298 [0,0,0,0,0,1|3,0,0]=4 1989 B13R0.193 CCOC(=O)CCC(C)OCCOC 34a_100000210237_100000748298 [0,0,0,0,0,1|3,0,0]=4 1990 B13R0.193 CCOC(=O)CCC(C)OCCSC 34a_100000230434_100000748298 [0,0,0,0,0,1|3,0,0]=4 1991 B13R0.193 CCOC(=O)CCC(C)OCCSC 7a_100000230434_100000748298 [0,0,0,0,0,1|3,0,0]=4 1992 B13R0.193 CCOC(=O)CCC(C)SCCCF 62a_100000748298_100011934791 [0,0,0,0,0,1|3,0,0]=4 1993 B13R0.193 CCOC(=O)CCC(C)SCCCF 62a_100011934791_100000748298 [0,0,0,0,0,1|3,0,0]=4 1994 B13R0.193 CCOC(=O)CCC(C)SCCCO 62a_100000748298_100011215043 [0,0,0,0,0,1|3,0,0]=4 1995 B13R0.193 CCOC(=O)CCC(C)SCCCO 62a_100011215043_100000748298 [0,0,0,0,0,1|3,0,0]=4 1996 B13R0.193 CCOC(=O)CCC(C)SCCOC 62a_100000233755_100000748298 [0,0,0,0,0,1|3,0,0]=4 1997 B13R0.193 CCOC(=O)CCC(C)SCCOC 62a_100000748298_100000233755 [0,0,0,0,0,1|3,0,0]=4 1998 B13R0.193 CCOC(=O)CCC(C)SCCSC 62a_100000212216_100000748298 [0,0,0,0,0,1|3,0,0]=4 1999 B13R0.193 CCOC(=O)CCC(C)SCCSC 62a_100000748298_100000751147 [0,0,0,0,0,1|3,0,0]=4 2000 B13R0.193 CCOC(=O)CCN(C)CCCCF 2230a_100000745921_100000729493 [0,0,0,0,0,1|3,0,0]=4 2001 B13R0.193 CCOC(=O)CCN(C)CCCCF 269982a_100000745921_100000729493 [0,0,0,0,0,1|3,0,0]=4 2002 B13R0.193 CCOC(=O)CCN(C)CCCCO 2230a_100000717598_100011206558 [0,0,0,0,0,1|3,0,0]=4 2003 B13R0.193 CCOC(=O)CCN(C)CCCCO 2230a_100000745921_100000210776 [0,0,0,0,0,1|3,0,0]=4 2004 B13R0.193 CCOC(=O)CCN(C)CCCCO 269982a_100000717598_100011206558 [0,0,0,0,0,1|3,0,0]=4 2005 B13R0.193 CCOC(=O)CCN(C)CCCCO 269982a_100000745921_100000210776 [0,0,0,0,0,1|3,0,0]=4 2006 B13R0.193 CCOC(=O)CCN(C)CCCOC 2230a_100000224831_100011206558 [0,0,0,0,0,1|3,0,0]=4 2007 B13R0.193 CCOC(=O)CCN(C)CCCOC 2230a_100000745921_100000740836 [0,0,0,0,0,1|3,0,0]=4 2008 B13R0.193 CCOC(=O)CCN(C)CCCOC 269982a_100000224831_100011206558 [0,0,0,0,0,1|3,0,0]=4 2009 B13R0.193 CCOC(=O)CCN(C)CCCOC 269982a_100000745921_100000740836 [0,0,0,0,0,1|3,0,0]=4 2010 B13R0.193 CCOC(=O)CCN(C)CCSCC 2230a_100000745921_100000757381 [0,0,0,0,0,1|3,0,0]=4 2011 B13R0.193 CCOC(=O)CCN(C)CCSCC 269982a_100000745921_100000757381 [0,0,0,0,0,1|3,0,0]=4 2012 B13R0.193 CCOC(=O)CNC(=O)CCCCO 188690a_100000741813_100000695505 [0,0,0,0,0,1|1,0,2]=4 2013 B13R0.193 CCOC(=O)CNC(=O)CCCOC 188690a_100000741813_100000741012 [0,0,0,0,0,1|1,0,2]=4 2014 B13R0.193 CCOC(=O)CNC(=O)CCCSC 188690a_100000741813_100000173376 [0,0,0,0,0,1|1,0,2]=4 2015 B13R0.193 CCOC(=O)CNC(=O)CCSCC 188690a_100000741813_100000230768 [0,0,0,0,0,1|1,0,2]=4 2016 B13R0.193 CCOC(=O)COC(C)CCCOC 34a_200011539412_100000188475 [0,0,0,0,0,1|2,0,0]=3 2017 B13R0.193 CCOC(=O)COC(C)CCCOC 7a_200011539412_100000188475 [0,0,0,0,0,1|2,0,0]=3 2018 B13R0.193 CCOC(=O)NCC(=O)CCCCF 1458a_100000190774_100000729493 [0,0,0,0,0,1|1,0,2]=4 2019 B13R0.193 CCOC(=O)NCC(=O)CCCCO 1458a_100000190774_100000210776 [0,0,0,0,0,1|1,0,2]=4 2020 B13R0.193 CCOC(=O)NCC(=O)CCCOC 1458a_100000190774_100000740836 [0,0,0,0,0,1|1,0,2]=4 2021 B13R0.193 CCOC(=O)NCC(=O)CCSCC 1458a_100000190774_100000757381 [0,0,0,0,0,1|1,0,2]=4 2022 B13R0.193 CCOCCC(=O)CCC(=O)OCC 1458a_100000183558_100011215890 [0,0,0,0,0,1|1,0,2]=4 2023 B13R0.193 CCOCCC(=O)CNC(=O)OCC 1458a_100000190774_100011215890 [0,0,0,0,0,1|1,0,2]=4 2024 B13R0.193 CCOCCC(=O)NCC(=O)OCC 188690a_100000741813_100000749530 [0,0,0,0,0,1|1,0,2]=4 2025 B13R0.193 CCOCCN(C)CCC(=O)OCC 2230a_100000745921_100011215890 [0,0,0,0,0,1|3,0,0]=4 2026 B13R0.193 CCOCCN(C)CCC(=O)OCC 269982a_100000745921_100011215890 [0,0,0,0,0,1|3,0,0]=4 2027 B13R0.193 CCOCSC(C)CCC(=O)OCC 62a_100000739092_100000748298 [0,0,0,0,0,1|3,0,0]=4 2028 B13R0.193 CCOCSC(C)CCC(=O)OCC 62a_100000748298_100000739092 [0,0,0,0,0,1|3,0,0]=4 2029 B10R0.1 CC#CC(=O)CCCCCC 1458a_100000763181_100000210757 [2,0,0,0,0,0|1,0,1]=4 2030 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [2,0,0,0,0,0|1,0,1]=4 2031 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [2,0,0,0,0,0|2,0,0]=4 2032 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [2,0,0,0,0,0|2,0,0]=4 2033 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [2,0,0,0,0,0|2,0,0]=4 2034 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [2,0,0,0,0,0|2,0,0]=4 2035 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [2,0,0,0,0,0|2,0,0]=4 2036 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [2,0,0,0,0,0|1,0,0]=3 2037 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [2,0,0,0,0,0|1,0,0]=3 2038 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [2,0,0,0,0,0|2,0,0]=4 2039 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [2,0,0,0,0,0|2,0,0]=4 2040 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [2,0,0,0,0,0|2,0,0]=4 2041 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [2,0,0,0,0,0|2,0,0]=4 2042 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [2,0,0,0,0,0|2,0,0]=4 2043 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [2,0,0,0,0,0|1,0,0]=3 2044 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [2,0,0,0,0,0|1,0,0]=3 2045 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [2,0,0,0,0,0|1,0,0]=3 2046 B10R0.1 CCCCCCC(=O)NNC 22a_100016993582_100102632555 [2,0,0,0,0,0|2,0,0]=4 2047 B10R0.1 CCCCCCC(C)OCC 34a_100000210265_100000210202 [2,0,0,0,0,0|1,0,1]=4 2048 B10R0.1 CCCCCCC(C)OCC 34a_100121572206_100011215978 [2,0,0,0,0,0|1,0,1]=4 2049 B10R0.1 CCCCCCC(C)OCC 7a_100000210265_100000210202 [2,0,0,0,0,0|1,0,1]=4 2050 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [2,0,0,0,0,0|2,0,0]=4 2051 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [2,0,0,0,0,0|2,0,0]=4 2052 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [2,0,0,0,0,0|2,0,0]=4 2053 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [2,0,0,0,0,0|2,0,0]=4 2054 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [2,0,0,0,0,0|2,0,0]=4 2055 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [2,0,0,0,0,0|2,0,0]=4 2056 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [2,0,0,0,0,0|2,0,0]=4 2057 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [2,0,0,0,0,0|2,0,0]=4 2058 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [2,0,0,0,0,0|2,0,0]=4 2059 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [2,0,0,0,0,0|2,0,0]=4 2060 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [2,0,0,0,0,0|2,0,0]=4 2061 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [2,0,0,0,0,0|2,0,0]=4 2062 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [2,0,0,0,0,0|2,0,0]=4 2063 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [2,0,0,0,0,0|2,0,0]=4 2064 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [2,0,0,0,0,0|2,0,0]=4 2065 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [2,0,0,0,0,0|1,0,0]=3 2066 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [2,0,0,0,0,0|1,0,0]=3 2067 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [2,0,0,0,0,0|2,0,0]=4 2068 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [2,0,0,0,0,0|2,0,0]=4 2069 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [2,0,0,0,0,0|2,0,0]=4 2070 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [2,0,0,0,0,0|2,0,0]=4 2071 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [2,0,0,0,0,0|2,0,0]=4 2072 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [2,0,0,0,0,0|2,0,0]=4 2073 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [2,0,0,0,0,0|2,0,0]=4 2074 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [2,0,0,0,0,0|2,0,0]=4 2075 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [2,0,0,0,0,0|1,0,0]=3 2076 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [2,0,0,0,0,0|1,0,0]=3 2077 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [2,0,0,0,0,0|2,0,0]=4 2078 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [2,0,0,0,0,0|2,0,0]=4 2079 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [2,0,0,0,0,0|2,0,0]=4 2080 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [2,0,0,0,0,0|2,0,0]=4 2081 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [2,0,0,0,0,0|2,0,0]=4 2082 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [2,0,0,0,0,0|2,0,0]=4 2083 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [2,0,0,0,0,0|2,0,0]=4 2084 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [2,0,0,0,0,0|2,0,0]=4 2085 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [2,0,0,0,0,0|1,0,0]=3 2086 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [2,0,0,0,0,0|1,0,0]=3 2087 B10R0.1 CCCNCCC(=O)NCC 34a_100025743525_100000210303 [2,0,0,0,0,0|2,0,0]=4 2088 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [2,0,0,0,0,0|2,0,0]=4 2089 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [2,0,0,0,0,0|1,0,0]=3 2090 B10R0.1 CCCSCCC(=O)NCC 62a_100000210303_100000737597 [2,0,0,0,0,0|2,0,0]=4 2091 B10R0.1 CCCSCCC(=O)NCC 62a_100000737597_100000210303 [2,0,0,0,0,0|2,0,0]=4 2092 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [2,0,0,0,0,0|1,0,0]=3 2093 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [2,0,0,0,0,0|1,0,0]=3 2094 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [2,0,0,0,0,0|2,0,0]=4 2095 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [2,0,0,0,0,0|2,0,0]=4 2096 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [2,0,0,0,0,0|1,0,0]=3 2097 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [2,0,0,0,0,0|1,0,0]=3 2098 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [2,0,0,0,0,0|1,0,0]=3 2099 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [2,0,0,0,0,0|1,0,0]=3 2100 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [2,0,0,0,0,0|1,0,0]=3 2101 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [2,0,0,0,0,0|1,0,0]=3 2102 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [2,0,0,0,0,0|1,0,0]=3 2103 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [2,0,0,0,0,0|1,0,0]=3 2104 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [2,0,0,0,0,0|1,0,0]=3 2105 B10R0.1 CCOC(=O)CCCOCF 7a_100012001163_100015361967 [2,0,0,0,0,0|2,0,0]=4 2106 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [2,0,0,0,0,0|1,0,0]=3 2107 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [2,0,0,0,0,0|1,0,0]=3 2108 B10R0.1 CCOC(=O)CCCSCF 62a_100009991533_100015361967 [2,0,0,0,0,0|2,0,0]=4 2109 B10R0.1 CCOC(=O)CCCSCF 62a_100015361967_100009991533 [2,0,0,0,0,0|2,0,0]=4 2110 B10R0.1 CCOC(=O)CCNCCF 34a_100000724931_100000765890 [2,0,0,0,0,0|2,0,0]=4 2111 B10R0.1 CCOC(=O)CCNCCO 2230a_100016997473_100011206558 [2,0,0,0,0,0|2,0,0]=4 2112 B10R0.1 CCOC(=O)CCNCCO 34a_100016990907_100000765890 [2,0,0,0,0,0|2,0,0]=4 2113 B10R0.1 CCOC(=O)CCOCCBr 34a_100000211926_100000765890 [2,0,0,0,0,0|2,0,0]=4 2114 B10R0.1 CCOC(=O)CCOCCN 34a_100000210304_100000765890 [2,0,0,0,0,0|2,0,0]=4 2115 B10R0.1 CCOC(=O)CCSCCF 62a_100000765890_100011217306 [2,0,0,0,0,0|2,0,0]=4 2116 B10R0.1 CCOC(=O)CCSCCF 62a_100011217306_100000765890 [2,0,0,0,0,0|2,0,0]=4 2117 B10R0.1 CCOC(=O)CCSCCO 62a_100000211926_100000765890 [2,0,0,0,0,0|2,0,0]=4 2118 B10R0.1 CCOC(=O)CCSCCO 62a_100000765890_100000211926 [2,0,0,0,0,0|2,0,0]=4 2119 B10R0.1 CCOC(=O)CCSCOC 62a_100000765890_100000766300 [2,0,0,0,0,0|2,0,0]=4 2120 B10R0.1 CCOC(=O)CCSCOC 62a_100000766300_100000765890 [2,0,0,0,0,0|2,0,0]=4 2121 B10R0.1 CCOC(=O)CCSCSC 62a_100000765890_100011218213 [2,0,0,0,0,0|2,0,0]=4 2122 B10R0.1 CCOC(=O)CCSCSC 62a_100011218213_100000765890 [2,0,0,0,0,0|2,0,0]=4 2123 B10R0.1 CCOC(=O)CNCCCF 2230a_100015189416_100000188475 [2,0,0,0,0,0|2,0,0]=4 2124 B10R0.1 CCOC(=O)CNCCCF 34a_100015189416_100000188475 [2,0,0,0,0,0|2,0,0]=4 2125 B10R0.1 CCOC(=O)CNCCOC 2230a_100000209980_100000188475 [2,0,0,0,0,0|2,0,0]=4 2126 B10R0.1 CCOC(=O)CNCCSC 2230a_100020590264_100000188475 [2,0,0,0,0,0|2,0,0]=4 2127 B10R0.1 CCOC(=O)COCCCBr 34a_100011217188_100000188475 [2,0,0,0,0,0|2,0,0]=4 2128 B10R0.1 CCOC(=O)COCCCCl 34a_100000230001_100000188475 [2,0,0,0,0,0|2,0,0]=4 2129 B10R0.1 CCOC(=O)COCCCF 34a_100000759539_100000188475 [2,0,0,0,0,0|2,0,0]=4 2130 B10R0.1 CCOC(=O)COCCCN 34a_100000182051_100000188475 [2,0,0,0,0,0|2,0,0]=4 2131 B10R0.1 CCOC(=O)COCCNC 2230a_106832991635_100000088970 [2,0,0,0,0,0|2,0,0]=4 2132 B10R0.1 CCOC(=O)COCCNC 34a_100102657272_100000088970 [2,0,0,0,0,0|2,0,0]=4 2133 B10R0.1 CCOC(=O)COCCNC 7a_106832991635_100000088970 [2,0,0,0,0,0|2,0,0]=4 2134 B10R0.1 CCOC(=O)COCCOC 34a_100000210237_100000188475 [2,0,0,0,0,0|2,0,0]=4 2135 B10R0.1 CCOC(=O)COCCOC 34a_100138415774_100000088970 [2,0,0,0,0,0|2,0,0]=4 2136 B10R0.1 CCOC(=O)COCCSC 34a_100000230434_100000188475 [2,0,0,0,0,0|2,0,0]=4 2137 B10R0.1 CCOC(=O)COCCSC 62a_100000088970_200000210301 [2,0,0,0,0,0|2,0,0]=4 2138 B10R0.1 CCOC(=O)COCCSC 62a_200000210301_100000088970 [2,0,0,0,0,0|2,0,0]=4 2139 B10R0.1 CCOC(=O)COCCSC 7a_100000230434_100000188475 [2,0,0,0,0,0|2,0,0]=4 2140 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_100000088970_200025704644 [2,0,0,0,0,0|2,0,0]=4 2141 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_200025704644_100000088970 [2,0,0,0,0,0|2,0,0]=4 2142 B10R0.1 CCOC(=O)CSCCCF 62a_100000188475_100011934791 [2,0,0,0,0,0|2,0,0]=4 2143 B10R0.1 CCOC(=O)CSCCCF 62a_100011934791_100000188475 [2,0,0,0,0,0|2,0,0]=4 2144 B10R0.1 CCOC(=O)CSCCCO 62a_100000188475_100011215043 [2,0,0,0,0,0|2,0,0]=4 2145 B10R0.1 CCOC(=O)CSCCCO 62a_100011215043_100000188475 [2,0,0,0,0,0|2,0,0]=4 2146 B10R0.1 CCOC(=O)CSCCOC 62a_100000188475_100000233755 [2,0,0,0,0,0|2,0,0]=4 2147 B10R0.1 CCOC(=O)CSCCOC 62a_100000233755_100000188475 [2,0,0,0,0,0|2,0,0]=4 2148 B10R0.1 CCOC(=O)CSCCOC 7a_200000230590_200000210301 [2,0,0,0,0,0|2,0,0]=4 2149 B10R0.1 CCOC(=O)CSCCO[13CH3] 7a_200000230590_200025704644 [2,0,0,0,0,0|2,0,0]=4 2150 B10R0.1 CCOC(=O)CSCCSC 62a_100000188475_100000751147 [2,0,0,0,0,0|2,0,0]=4 2151 B10R0.1 CCOC(=O)CSCCSC 62a_100000212216_100000188475 [2,0,0,0,0,0|2,0,0]=4 2152 B10R0.1 CCOC(=O)NCCSCC 62a_100000210202_200011445536 [2,0,0,0,0,0|2,0,0]=4 2153 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [2,0,0,0,0,0|1,0,0]=3 2154 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [2,0,0,0,0,0|1,0,0]=3 2155 B10R0.1 CCOCCNC(=O)OCC 34a_100000158857_100000210202 [2,0,0,0,0,0|2,0,0]=4 2156 B10R0.1 CCOCSCC(=O)OCC 62a_100000188475_100000739092 [2,0,0,0,0,0|2,0,0]=4 2157 B10R0.1 CCOCSCC(=O)OCC 62a_100000739092_100000188475 [2,0,0,0,0,0|2,0,0]=4 2158 B10R0.71 CC/C=C/CCCOCCC 34a_100016287902_100000210303 [2,0,0,0,0,0|2,0,0]=4 2159 B10R0.71 CC/C=C/CCCOCCC 7a_100016287902_100000210303 [2,0,0,0,0,0|2,0,0]=4 2160 B10R0.71 CC/C=C\CCCCCNC 269862a_106832991636_100016288537 [2,0,0,0,0,0|2,0,0]=4 2161 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [2,0,0,0,0,0|2,0,0]=4 2162 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [2,0,0,0,0,0|2,0,0]=4 2163 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [2,0,0,0,0,0|2,0,0]=4 2164 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [2,0,0,0,0,0|2,0,0]=4 2165 B10R0.71 CC/C=C\CCCCOCC 34a_100016287862_100000210202 [2,0,0,0,0,0|2,0,0]=4 2166 B10R0.71 CC/C=C\CCCCOCC 7a_100016287862_100000210202 [2,0,0,0,0,0|2,0,0]=4 2167 B10R0.71 CC/C=C\CCNCCCC 2230a_100000102301_100015370543 [2,0,0,0,0,0|2,0,0]=4 2168 B10R0.71 CC/C=C\CCNCCCC 7a_106832991798_100015370543 [2,0,0,0,0,0|2,0,0]=4 2169 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [2,0,0,0,0,0|2,0,0]=4 2170 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [2,0,0,0,0,0|2,0,0]=4 2171 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [2,0,0,0,0,0|2,0,0]=4 2172 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [2,0,0,0,0,0|2,0,0]=4 2173 B10R0.71 CC/C=C\CCSCCCC 62a_100000210211_100015370543 [2,0,0,0,0,0|2,0,0]=4 2174 B10R0.71 CC/C=C\CCSCCCC 62a_100015370543_100000210210 [2,0,0,0,0,0|2,0,0]=4 2175 B10R0.71 CC/C=C\CNCCCCC 2230a_100000209983_100103147603 [2,0,0,0,0,0|2,0,0]=4 2176 B10R0.71 CC/C=C\COCCCCC 34a_100000210253_100103147603 [2,0,0,0,0,0|2,0,0]=4 2177 B10R0.71 CC/C=C\COCCCCC 34a_100016268518_100000718602 [2,0,0,0,0,0|2,0,0]=4 2178 B10R0.71 CC/C=C\COCCCCC 7a_100000210253_100103147603 [2,0,0,0,0,0|2,0,0]=4 2179 B10R0.71 CC/C=C\CSCCCCC 62a_100000210326_100103147603 [2,0,0,0,0,0|2,0,0]=4 2180 B10R0.71 CC/C=C\CSCCCCC 62a_100103147603_100000210326 [2,0,0,0,0,0|2,0,0]=4 2181 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [2,0,0,0,0,0|1,0,1]=4 2182 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [2,0,0,0,0,0|1,0,1]=4 2183 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [2,0,0,0,0,0|1,0,1]=4 2184 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [2,0,0,0,0,0|0,0,1]=3 2185 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [2,0,0,0,0,0|0,0,1]=3 2186 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [2,0,0,0,0,0|0,0,1]=3 2187 B10R0.71 CCCCCCCCOCF 34a_100000210232_100015361967 [2,0,0,0,0,0|1,0,1]=4 2188 B10R0.71 CCCCCCCCOCF 7a_100000210232_100015361967 [2,0,0,0,0,0|1,0,1]=4 2189 B10R0.71 CCCCCCCCSCC 62a_100000210202_100000210317 [2,0,0,0,0,0|0,1,1]=4 2190 B10R0.71 CCCCCCCCSCC 62a_100000210759_100000210202 [2,0,0,0,0,0|0,1,1]=4 2191 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [2,0,0,0,0,0|2,0,0]=4 2192 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [2,0,0,0,0,0|2,0,0]=4 2193 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [2,0,0,0,0,0|2,0,0]=4 2194 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [2,0,0,0,0,0|2,0,0]=4 2195 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [2,0,0,0,0,0|2,0,0]=4 2196 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [2,0,0,0,0,0|2,0,0]=4 2197 B10R0.71 CCCCCCSCOCC 62a_100000210314_100000739092 [2,0,0,0,0,0|1,0,1]=4 2198 B10R0.71 CCCCCCSCOCC 62a_100000739092_100000210757 [2,0,0,0,0,0|1,0,1]=4 2199 B10R0.71 CCCCCNCCOCC 2230a_100000209983_100011215890 [2,0,0,0,0,0|1,0,1]=4 2200 B10R0.71 CCCCCNCCOCC 2230a_102516460346_100000210326 [2,0,0,0,0,0|1,0,1]=4 2201 B10R0.71 CCCCCNCCOCC 34a_100000224656_100000210202 [2,0,0,0,0,0|1,0,1]=4 2202 B10R0.71 CCCCCNCCOCC 34a_102516460346_100000718602 [2,0,0,0,0,0|1,0,1]=4 2203 B10R0.71 CCCCCOCCOCC 34a_100000210136_100000718602 [2,0,0,0,0,0|1,0,1]=4 2204 B10R0.71 CCCCCOCCOCC 34a_100000210253_100000210147 [2,0,0,0,0,0|1,0,1]=4 2205 B10R0.71 CCCCCOCCOCC 34a_100011215259_100000210202 [2,0,0,0,0,0|1,0,1]=4 2206 B10R0.71 CCCCCOCCOCC 7a_100000210136_100000210326 [2,0,0,0,0,0|1,0,1]=4 2207 B10R0.71 CCCCCOCCOCC 7a_100000210253_100011215890 [2,0,0,0,0,0|1,0,1]=4 2208 B10R0.71 CCCCCOCCOCC 7a_100011215259_100000210202 [2,0,0,0,0,0|1,0,1]=4 2209 B10R0.71 CCCCCSCCOCC 62a_100000210147_100000210326 [2,0,0,0,0,0|1,0,1]=4 2210 B10R0.71 CCCCCSCCOCC 62a_100000210326_100011215890 [2,0,0,0,0,0|1,0,1]=4 2211 B10R0.71 CCCCNCCCOCC 2230a_100000102301_100012232248 [2,0,0,0,0,0|1,0,1]=4 2212 B10R0.71 CCCCNCCCOCC 2230a_100000210961_100000210211 [2,0,0,0,0,0|1,0,1]=4 2213 B10R0.71 CCCCNCCCOCC 34a_100000210961_100000210210 [2,0,0,0,0,0|1,0,1]=4 2214 B10R0.71 CCCCNCCCOCC 7a_106832991798_100012232248 [2,0,0,0,0,0|1,0,1]=4 2215 B10R0.71 CCCCOCCCOCC 34a_100000210227_100012232248 [2,0,0,0,0,0|1,0,1]=4 2216 B10R0.71 CCCCOCCCOCC 34a_100000757476_100000210210 [2,0,0,0,0,0|1,0,1]=4 2217 B10R0.71 CCCCOCCCOCC 34a_200011215613_100000210202 [2,0,0,0,0,0|1,0,1]=4 2218 B10R0.71 CCCCOCCCOCC 7a_100000210227_100012232248 [2,0,0,0,0,0|1,0,1]=4 2219 B10R0.71 CCCCOCCCOCC 7a_100000757476_100000210211 [2,0,0,0,0,0|1,0,1]=4 2220 B10R0.71 CCCCOCCCOCC 7a_200011215613_100000210202 [2,0,0,0,0,0|1,0,1]=4 2221 B10R0.71 CCCCSCCCOCC 62a_100000210211_100012232248 [2,0,0,0,0,0|1,0,1]=4 2222 B10R0.71 CCCCSCCCOCC 62a_100012232248_100000210210 [2,0,0,0,0,0|1,0,1]=4 2223 B10R0.71 CCOCCCCCCCBr 34a_100000760002_100000210202 [2,0,0,0,0,0|1,0,1]=4 2224 B10R0.71 CCOCCCCCCCBr 7a_100000760002_100000210202 [2,0,0,0,0,0|1,0,1]=4 2225 B10R0.71 CCOCCCCCCCN 34a_100011996573_100000210202 [2,0,0,0,0,0|1,0,1]=4 2226 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [2,0,0,0,0,0|1,0,1]=4 2227 B10R0.71 CCOCCCCCCOC 34a_100121572206_100011998445 [2,0,0,0,0,0|1,0,1]=4 2228 B10R0.71 CCOCCCCCCOC 34a_200012092642_100000210202 [2,0,0,0,0,0|1,0,1]=4 2229 B10R0.71 CCOCCCCCCOC 7a_200012092642_100000210202 [2,0,0,0,0,0|1,0,1]=4 2230 B10R0.74 C#CC(=O)CCCCCCC 1458a_100000211873_100000210614 [2,0,0,0,0,0|0,0,2]=4 2231 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000210414_100012094781 [2,0,0,0,0,0|0,0,2]=4 2232 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000694772_100000210202 [2,0,0,0,0,0|0,0,2]=4 2233 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [2,0,0,0,0,0|0,0,2]=4 2234 B10R0.74 C=CCCCCCC(=O)CC 1458a_100000210414_100000700193 [2,0,0,0,0,0|0,0,2]=4 2235 B10R0.74 C=CCCCCCC(=O)CC 1458a_100011934241_100000210202 [2,0,0,0,0,0|0,0,2]=4 2236 B10R0.74 CCC(=O)CCCCCC#N 1458a_100000210414_100009813376 [2,0,0,0,0,0|1,0,1]=4 2237 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [2,0,0,0,0,0|1,0,0]=3 2238 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [2,0,0,0,0,0|1,0,0]=3 2239 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [2,0,0,0,0,0|1,0,0]=3 2240 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [2,0,0,0,0,0|1,0,0]=3 2241 B10R0.74 CCC(=O)CCOCCOC 1458a_100000210414_100000695917 [2,0,0,0,0,0|2,0,0]=4 2242 B10R0.74 CCC(=O)CCOCCOC 1458a_100000745395_100000210202 [2,0,0,0,0,0|2,0,0]=4 2243 B10R0.74 CCC(=O)COCCCCCl 7a_100000210776_100000747405 [2,0,0,0,0,0|2,0,0]=4 2244 B10R0.74 CCC(=O)COCCCCF 34a_100000725409_100000729493 [2,0,0,0,0,0|2,0,0]=4 2245 B10R0.74 CCC(=O)COCCCCF 7a_100011995726_100000747405 [2,0,0,0,0,0|2,0,0]=4 2246 B10R0.74 CCC(=O)COCCCCO 34a_100000725409_100011216708 [2,0,0,0,0,0|2,0,0]=4 2247 B10R0.74 CCC(=O)COCCCOC 34a_100000725409_100000740836 [2,0,0,0,0,0|2,0,0]=4 2248 B10R0.74 CCC(=O)COCCCSC 7a_100000690336_100000747405 [2,0,0,0,0,0|2,0,0]=4 2249 B10R0.74 CCC(=O)CSCCCCF 62a_100000729493_100000747405 [2,0,0,0,0,0|2,0,0]=4 2250 B10R0.74 CCC(=O)CSCCCCF 62a_100000747405_100000729493 [2,0,0,0,0,0|2,0,0]=4 2251 B10R0.74 CCC(=O)CSCCCCO 62a_100000210776_100000747405 [2,0,0,0,0,0|2,0,0]=4 2252 B10R0.74 CCC(=O)CSCCCCO 62a_100000747405_100000210776 [2,0,0,0,0,0|2,0,0]=4 2253 B10R0.74 CCC(=O)CSCCCOC 62a_100000709357_100000747405 [2,0,0,0,0,0|2,0,0]=4 2254 B10R0.74 CCC(=O)CSCCCOC 62a_100000747405_100000709357 [2,0,0,0,0,0|2,0,0]=4 2255 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [2,0,0,0,0,0|2,0,0]=4 2256 B10R0.74 CCCC/C=C/CC(=O)CC 1458a_200016282684_100000210202 [2,0,0,0,0,0|0,0,2]=4 2257 B10R0.74 CCCCCC#CC(=O)CC 1458a_100011215388_100000210202 [2,0,0,0,0,0|0,0,2]=4 2258 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [2,0,0,0,0,0|0,0,2]=4 2259 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [2,0,0,0,0,0|0,0,0]=2 2260 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [2,0,0,0,0,0|0,0,0]=2 2261 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [2,0,0,0,0,0|1,0,0]=3 2262 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [2,0,0,0,0,0|1,0,0]=3 2263 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [2,0,0,0,0,0|1,0,0]=3 2264 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [2,0,0,0,0,0|1,0,0]=3 2265 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [2,0,0,0,0,0|1,0,0]=3 2266 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [2,0,0,0,0,0|1,0,0]=3 2267 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [2,0,0,0,0,0|1,0,1]=4 2268 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [2,0,0,0,0,0|1,0,1]=4 2269 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [2,0,0,0,0,0|1,0,1]=4 2270 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [2,0,0,0,0,0|1,0,1]=4 2271 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [2,0,0,0,0,0|1,0,1]=4 2272 B10R0.74 CCCCCCCN(C)CC 2230a_100000225621_100000210681 [2,0,0,0,0,0|2,0,0]=4 2273 B10R0.74 CCCCCCCN(C)CC 2230a_100000228206_100000210202 [2,0,0,0,0,0|2,0,0]=4 2274 B10R0.74 CCCCCCCN(C)CC 2230a_100000228213_200000210301 [2,0,0,0,0,0|2,0,0]=4 2275 B10R0.74 CCCCCCCN(C)CC 269982a_100000225621_100000210681 [2,0,0,0,0,0|2,0,0]=4 2276 B10R0.74 CCCCCCCN(C)CC 269982a_100000228206_100000204670 [2,0,0,0,0,0|2,0,0]=4 2277 B10R0.74 CCCCCCCN(C)CC 269982a_100000228213_200000210301 [2,0,0,0,0,0|2,0,0]=4 2278 B10R0.74 CCCCCCCN([13CH3])CC 2230a_100000228213_200025704644 [2,0,0,0,0,0|2,0,0]=4 2279 B10R0.74 CCCCCCCN([13CH3])CC 269982a_100000228213_200025704644 [2,0,0,0,0,0|2,0,0]=4 2280 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [2,0,0,0,0,0|1,0,0]=3 2281 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [2,0,0,0,0,0|1,0,0]=3 2282 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [2,0,0,0,0,0|1,0,0]=3 2283 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [2,0,0,0,0,0|1,0,0]=3 2284 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [2,0,0,0,0,0|2,0,0]=4 2285 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [2,0,0,0,0,0|2,0,0]=4 2286 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [2,0,0,0,0,0|2,0,0]=4 2287 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [2,0,0,0,0,0|2,0,0]=4 2288 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [2,0,0,0,0,0|2,0,0]=4 2289 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [2,0,0,0,0,0|2,0,0]=4 2290 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [2,0,0,0,0,0|2,0,0]=4 2291 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [2,0,0,0,0,0|2,0,0]=4 2292 B10R0.74 CCCCCNCC(=O)NC 2230a_100000209983_100000183359 [2,0,0,0,0,0|2,0,0]=4 2293 B10R0.74 CCCCCNCC(=O)NC 2230a_100000693194_100000210326 [2,0,0,0,0,0|2,0,0]=4 2294 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [2,0,0,0,0,0|1,0,0]=3 2295 B10R0.74 CCCCCNNC(=O)CC 22a_100000694160_100000210414 [2,0,0,0,0,0|2,0,0]=4 2296 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [2,0,0,0,0,0|1,0,0]=3 2297 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [2,0,0,0,0,0|1,0,0]=3 2298 B10R0.74 CCCCCOCC(=O)NC 34a_100000210253_100000183359 [2,0,0,0,0,0|2,0,0]=4 2299 B10R0.74 CCCCCOCC(=O)NC 34a_100000750040_100000718602 [2,0,0,0,0,0|2,0,0]=4 2300 B10R0.74 CCCCCOCC(=O)NC 7a_100000210253_100000183359 [2,0,0,0,0,0|2,0,0]=4 2301 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [2,0,0,0,0,0|1,0,0]=3 2302 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [2,0,0,0,0,0|1,0,0]=3 2303 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [2,0,0,0,0,0|1,0,0]=3 2304 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [2,0,0,0,0,0|1,0,0]=3 2305 B10R0.74 CCCCCSCC(=O)NC 62a_100000183359_100000210326 [2,0,0,0,0,0|2,0,0]=4 2306 B10R0.74 CCCCCSCC(=O)NC 62a_100000210326_100000183359 [2,0,0,0,0,0|2,0,0]=4 2307 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [2,0,0,0,0,0|1,0,0]=3 2308 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [2,0,0,0,0,0|1,0,0]=3 2309 B10R0.74 CCCCNCCC(=O)NC 2230a_100000102301_100000737683 [2,0,0,0,0,0|2,0,0]=4 2310 B10R0.74 CCCCNCCC(=O)NC 2230a_100000738227_100000210211 [2,0,0,0,0,0|2,0,0]=4 2311 B10R0.74 CCCCNCCC(=O)NC 34a_100000738227_100000210210 [2,0,0,0,0,0|2,0,0]=4 2312 B10R0.74 CCCCNCCC(=O)NC 7a_106832991798_100000737683 [2,0,0,0,0,0|2,0,0]=4 2313 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [2,0,0,0,0,0|1,0,0]=3 2314 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [2,0,0,0,0,0|1,0,0]=3 2315 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [2,0,0,0,0,0|1,0,0]=3 2316 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [2,0,0,0,0,0|2,0,0]=4 2317 B10R0.74 CCCCOCCC(=O)NC 34a_100000210227_100012179268 [2,0,0,0,0,0|2,0,0]=4 2318 B10R0.74 CCCCOCCC(=O)NC 34a_100000754576_100000210210 [2,0,0,0,0,0|2,0,0]=4 2319 B10R0.74 CCCCOCCC(=O)NC 7a_100000210227_100000737683 [2,0,0,0,0,0|2,0,0]=4 2320 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [2,0,0,0,0,0|1,0,0]=3 2321 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [2,0,0,0,0,0|1,0,0]=3 2322 B10R0.74 CCCCSCCC(=O)NC 62a_100000210211_100000737683 [2,0,0,0,0,0|2,0,0]=4 2323 B10R0.74 CCCCSCCC(=O)NC 62a_100000737683_100000210210 [2,0,0,0,0,0|2,0,0]=4 2324 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [2,0,0,0,0,0|1,0,0]=3 2325 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [2,0,0,0,0,0|1,0,0]=3 2326 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [2,0,0,0,0,0|2,0,0]=4 2327 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [2,0,0,0,0,0|2,0,0]=4 2328 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [2,0,0,0,0,0|2,0,0]=4 2329 B10R0.74 CCCNCCNC(=O)CC 34a_100132302217_100000210303 [2,0,0,0,0,0|2,0,0]=4 2330 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [2,0,0,0,0,0|2,0,0]=4 2331 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [2,0,0,0,0,0|1,0,0]=3 2332 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [2,0,0,0,0,0|2,0,0]=4 2333 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [2,0,0,0,0,0|2,0,0]=4 2334 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [2,0,0,0,0,0|2,0,0]=4 2335 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [2,0,0,0,0,0|2,0,0]=4 2336 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [2,0,0,0,0,0|2,0,0]=4 2337 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [2,0,0,0,0,0|2,0,0]=4 2338 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [2,0,0,0,0,0|2,0,0]=4 2339 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [2,0,0,0,0,0|2,0,0]=4 2340 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [2,0,0,0,0,0|2,0,0]=4 2341 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [2,0,0,0,0,0|2,0,0]=4 2342 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [2,0,0,0,0,0|1,0,0]=3 2343 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [2,0,0,0,0,0|1,0,0]=3 2344 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [2,0,0,0,0,0|2,0,0]=4 2345 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [2,0,0,0,0,0|2,0,0]=4 2346 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [2,0,0,0,0,0|2,0,0]=4 2347 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [2,0,0,0,0,0|1,0,0]=3 2348 B10R0.74 CCNCCOCC(=O)OC 2230a_100015525214_100000090808 [2,0,0,0,0,0|2,0,0]=4 2349 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [2,0,0,0,0,0|1,0,0]=3 2350 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [2,0,0,0,0,0|1,0,0]=3 2351 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [2,0,0,0,0,0|1,0,0]=3 2352 B10R0.74 CCOCCCNC(=O)CC 11a_100000210961_100000210414 [2,0,0,0,0,0|2,0,0]=4 2353 B10R0.74 CCOCCCNC(=O)CC 1626a_100000210961_100000210414 [2,0,0,0,0,0|2,0,0]=4 2354 B10R0.74 CCOCCCNC(=O)CC 240690a_100000210961_100000210414 [2,0,0,0,0,0|2,0,0]=4 2355 B10R0.74 CCOCCCNC(=O)CC 527a_100000210961_100000210414 [2,0,0,0,0,0|2,0,0]=4 2356 B10R0.74 CCOCCNCC(=O)OC 2230a_102516460346_100000747449 [2,0,0,0,0,0|2,0,0]=4 2357 B10R0.74 CCOCCNCC(=O)OC 34a_102516460346_100000747449 [2,0,0,0,0,0|2,0,0]=4 2358 B10R0.74 CCOCCOCC(=O)CC 34a_100000725409_100000210147 [2,0,0,0,0,0|2,0,0]=4 2359 B10R0.74 CCOCCOCC(=O)CC 7a_100000210136_100000747405 [2,0,0,0,0,0|2,0,0]=4 2360 B10R0.74 CCOCCOCC(=O)OC 34a_100000210136_100000747449 [2,0,0,0,0,0|2,0,0]=4 2361 B10R0.74 CCOCCOCC(=O)OC 34a_100121572206_100000090808 [2,0,0,0,0,0|2,0,0]=4 2362 B10R0.74 CCOCCOCC(=O)OC 7a_100000210136_100000747449 [2,0,0,0,0,0|2,0,0]=4 2363 B10R0.74 CCOCCSCC(=O)CC 62a_100000210147_100000747405 [2,0,0,0,0,0|2,0,0]=4 2364 B10R0.74 CCOCCSCC(=O)CC 62a_100000747405_100011215890 [2,0,0,0,0,0|2,0,0]=4 2365 B10R0.74 CCOCCSCC(=O)OC 62a_100000210147_100000747449 [2,0,0,0,0,0|2,0,0]=4 2366 B10R0.74 CCOCCSCC(=O)OC 62a_100000747449_100011215890 [2,0,0,0,0,0|2,0,0]=4 2367 B10R0.74 CCOCSCCC(=O)OC 62a_100000204255_100000739092 [2,0,0,0,0,0|2,0,0]=4 2368 B10R0.74 CCOCSCCC(=O)OC 62a_100000739092_100000204255 [2,0,0,0,0,0|2,0,0]=4 2369 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [2,0,0,0,0,0|1,0,0]=3 2370 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [2,0,0,0,0,0|1,0,0]=3 2371 B10R0.74 CCSCCNCC(=O)OC 2230a_100000106463_100000747449 [2,0,0,0,0,0|2,0,0]=4 2372 B10R0.74 CCSCCOCC(=O)CC 34a_100000725409_100000757381 [2,0,0,0,0,0|2,0,0]=4 2373 B10R0.74 CCSCCOCC(=O)CC 7a_100000212035_100000747405 [2,0,0,0,0,0|2,0,0]=4 2374 B10R0.74 CCSCCOCC(=O)OC 34a_100000212035_100000747449 [2,0,0,0,0,0|2,0,0]=4 2375 B10R0.74 CCSCCOCC(=O)OC 62a_100000090808_100000210202 [2,0,0,0,0,0|2,0,0]=4 2376 B10R0.74 CCSCCOCC(=O)OC 62a_100000210202_100000090808 [2,0,0,0,0,0|2,0,0]=4 2377 B10R0.74 CCSCCOCC(=O)OC 7a_100000212035_100000747449 [2,0,0,0,0,0|2,0,0]=4 2378 B10R0.74 CCSCCSCC(=O)CC 62a_100000747405_100000757381 [2,0,0,0,0,0|2,0,0]=4 2379 B10R0.74 CCSCCSCC(=O)CC 62a_100000757381_100000747405 [2,0,0,0,0,0|2,0,0]=4 2380 B10R0.74 CCSCCSCC(=O)OC 62a_100000747449_100000757381 [2,0,0,0,0,0|2,0,0]=4 2381 B10R0.74 CCSCCSCC(=O)OC 62a_100000757381_100000747449 [2,0,0,0,0,0|2,0,0]=4 2382 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [2,0,0,0,0,0|2,0,0]=4 2383 B10R0.74 CNC(=O)CCCCCOC 11a_106832991635_100011935119 [2,0,0,0,0,0|2,0,0]=4 2384 B10R0.74 CNC(=O)CCCCCOC 1626a_100102657272_100011935119 [2,0,0,0,0,0|2,0,0]=4 2385 B10R0.74 CNC(=O)CCCCCOC 240690a_100102657272_100011935119 [2,0,0,0,0,0|2,0,0]=4 2386 B10R0.74 CNC(=O)CCCCCOC 527a_100102657272_100011935119 [2,0,0,0,0,0|2,0,0]=4 2387 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [2,0,0,0,0,0|1,0,0]=3 2388 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [2,0,0,0,0,0|1,0,0]=3 2389 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [2,0,0,0,0,0|1,0,0]=3 2390 B10R0.74 CNCCCOCC(=O)OC 34a_100000213112_100000747449 [2,0,0,0,0,0|2,0,0]=4 2391 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [2,0,0,0,0,0|1,0,0]=3 2392 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [2,0,0,0,0,0|1,0,0]=3 2393 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [2,0,0,0,0,0|1,0,0]=3 2394 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [2,0,0,0,0,0|1,0,0]=3 2395 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [2,0,0,0,0,0|1,0,0]=3 2396 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [2,0,0,0,0,0|1,0,0]=3 2397 B10R0.74 COC(=O)CCCCOCF 34a_100000059025_100015361967 [2,0,0,0,0,0|2,0,0]=4 2398 B10R0.74 COC(=O)CCCCOCF 7a_100000059025_100015361967 [2,0,0,0,0,0|2,0,0]=4 2399 B10R0.74 COC(=O)CCCCSCF 62a_100000204269_100015361967 [2,0,0,0,0,0|2,0,0]=4 2400 B10R0.74 COC(=O)CCCCSCF 62a_100015361967_100000204269 [2,0,0,0,0,0|2,0,0]=4 2401 B10R0.74 COC(=O)CCCNCCF 34a_100000724931_100000742333 [2,0,0,0,0,0|2,0,0]=4 2402 B10R0.74 COC(=O)CCCNCCO 2230a_100016997473_100011218270 [2,0,0,0,0,0|2,0,0]=4 2403 B10R0.74 COC(=O)CCCNCCO 34a_100016990907_100000742333 [2,0,0,0,0,0|2,0,0]=4 2404 B10R0.74 COC(=O)CCCOCCBr 34a_100000211926_100000742333 [2,0,0,0,0,0|2,0,0]=4 2405 B10R0.74 COC(=O)CCCOCCN 34a_100000210304_100000742333 [2,0,0,0,0,0|2,0,0]=4 2406 B10R0.74 COC(=O)CCCSCCF 62a_100011217306_100011218270 [2,0,0,0,0,0|2,0,0]=4 2407 B10R0.74 COC(=O)CCCSCCF 62a_100011218270_100011217306 [2,0,0,0,0,0|2,0,0]=4 2408 B10R0.74 COC(=O)CCCSCCO 62a_100000211926_100011218270 [2,0,0,0,0,0|2,0,0]=4 2409 B10R0.74 COC(=O)CCCSCCO 62a_100011218270_100000211926 [2,0,0,0,0,0|2,0,0]=4 2410 B10R0.74 COC(=O)CCCSCSC 62a_100011218213_100011218270 [2,0,0,0,0,0|2,0,0]=4 2411 B10R0.74 COC(=O)CCCSCSC 62a_100011218270_100011218213 [2,0,0,0,0,0|2,0,0]=4 2412 B10R0.74 COC(=O)CCNCCCF 2230a_100015189416_100000204255 [2,0,0,0,0,0|2,0,0]=4 2413 B10R0.74 COC(=O)CCNCCCF 34a_100015189416_100000742370 [2,0,0,0,0,0|2,0,0]=4 2414 B10R0.74 COC(=O)CCNCCSC 2230a_100020590264_100000204255 [2,0,0,0,0,0|2,0,0]=4 2415 B10R0.74 COC(=O)CCOCCCBr 34a_100011217188_100000742370 [2,0,0,0,0,0|2,0,0]=4 2416 B10R0.74 COC(=O)CCOCCCCl 34a_100000230001_100000742370 [2,0,0,0,0,0|2,0,0]=4 2417 B10R0.74 COC(=O)CCOCCCF 34a_100000759539_100000742370 [2,0,0,0,0,0|2,0,0]=4 2418 B10R0.74 COC(=O)CCOCCCN 34a_100000182051_100000742370 [2,0,0,0,0,0|2,0,0]=4 2419 B10R0.74 COC(=O)CCOCCSC 34a_100000230434_100000742370 [2,0,0,0,0,0|2,0,0]=4 2420 B10R0.74 COC(=O)CCOCCSC 7a_100000230434_100000204255 [2,0,0,0,0,0|2,0,0]=4 2421 B10R0.74 COC(=O)CCSCCCF 62a_100000204255_100011934791 [2,0,0,0,0,0|2,0,0]=4 2422 B10R0.74 COC(=O)CCSCCCF 62a_100011934791_100000204255 [2,0,0,0,0,0|2,0,0]=4 2423 B10R0.74 COC(=O)CCSCCCO 62a_100000204255_100011215043 [2,0,0,0,0,0|2,0,0]=4 2424 B10R0.74 COC(=O)CCSCCCO 62a_100011215043_100000204255 [2,0,0,0,0,0|2,0,0]=4 2425 B10R0.74 COC(=O)CCSCCSC 62a_100000204255_100000751147 [2,0,0,0,0,0|2,0,0]=4 2426 B10R0.74 COC(=O)CCSCCSC 62a_100000212216_100000204255 [2,0,0,0,0,0|2,0,0]=4 2427 B10R0.74 COC(=O)CNCCCCO 2230a_100000750430_100000747449 [2,0,0,0,0,0|2,0,0]=4 2428 B10R0.74 COC(=O)CNCCCCO 34a_100000750430_100000747449 [2,0,0,0,0,0|2,0,0]=4 2429 B10R0.74 COC(=O)CNCCCSC 2230a_100000749238_100000747449 [2,0,0,0,0,0|2,0,0]=4 2430 B10R0.74 COC(=O)COCCCCBr 34a_100011216708_100000747449 [2,0,0,0,0,0|2,0,0]=4 2431 B10R0.74 COC(=O)COCCCCCl 34a_100000210776_100000747449 [2,0,0,0,0,0|2,0,0]=4 2432 B10R0.74 COC(=O)COCCCCCl 7a_100000210776_100000747449 [2,0,0,0,0,0|2,0,0]=4 2433 B10R0.74 COC(=O)COCCCCF 34a_100011995726_100000747449 [2,0,0,0,0,0|2,0,0]=4 2434 B10R0.74 COC(=O)COCCCCF 7a_100011995726_100000747449 [2,0,0,0,0,0|2,0,0]=4 2435 B10R0.74 COC(=O)COCCCCI 34a_200012148704_100000747449 [2,0,0,0,0,0|2,0,0]=4 2436 B10R0.74 COC(=O)COCCCCN 34a_100000750430_100000747449 [2,0,0,0,0,0|2,0,0]=4 2437 B10R0.74 COC(=O)COCCCSC 34a_100000690336_100000747449 [2,0,0,0,0,0|2,0,0]=4 2438 B10R0.74 COC(=O)COCCCSC 7a_100000690336_100000747449 [2,0,0,0,0,0|2,0,0]=4 2439 B10R0.74 COC(=O)CSCCCCF 62a_100000729493_100000747449 [2,0,0,0,0,0|2,0,0]=4 2440 B10R0.74 COC(=O)CSCCCCF 62a_100000747449_100000729493 [2,0,0,0,0,0|2,0,0]=4 2441 B10R0.74 COC(=O)CSCCCCO 62a_100000210776_100000747449 [2,0,0,0,0,0|2,0,0]=4 2442 B10R0.74 COC(=O)CSCCCCO 62a_100000747449_100000210776 [2,0,0,0,0,0|2,0,0]=4 2443 B10R0.74 COCCCCCC(=O)CF 1458a_100011935119_100015361967 [2,0,0,0,0,0|2,0,0]=4 2444 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [2,0,0,0,0,0|1,0,0]=3 2445 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [2,0,0,0,0,0|1,0,0]=3 2446 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [2,0,0,0,0,0|1,0,0]=3 2447 B10R0.74 COCCCNCC(=O)OC 34a_100150723488_100000747449 [2,0,0,0,0,0|2,0,0]=4 2448 B10R0.74 COCCCOCC(=O)OC 34a_100000740835_100000747449 [2,0,0,0,0,0|2,0,0]=4 2449 B10R0.74 COCCCSCC(=O)OC 62a_100000709357_100000747449 [2,0,0,0,0,0|2,0,0]=4 2450 B10R0.74 COCCCSCC(=O)OC 62a_100000747449_100000709357 [2,0,0,0,0,0|2,0,0]=4 2451 B10R0.74 COCCNCCC(=O)OC 2230a_100000209980_100000204255 [2,0,0,0,0,0|2,0,0]=4 2452 B10R0.74 COCCOCCC(=O)OC 34a_100000210237_100000742370 [2,0,0,0,0,0|2,0,0]=4 2453 B10R0.74 COCCSCCC(=O)OC 62a_100000204255_100000233755 [2,0,0,0,0,0|2,0,0]=4 2454 B10R0.74 COCCSCCC(=O)OC 62a_100000233755_100000204255 [2,0,0,0,0,0|2,0,0]=4 2455 B10R0.74 COCSCCCC(=O)OC 62a_100000766300_100011218270 [2,0,0,0,0,0|2,0,0]=4 2456 B10R0.74 COCSCCCC(=O)OC 62a_100011218270_100000766300 [2,0,0,0,0,0|2,0,0]=4 2457 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [2,0,0,0,0,0|2,0,0]=4 2458 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [2,0,0,0,0,0|2,0,0]=4 2459 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [2,0,0,0,0,0|2,0,0]=4 2460 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000211992_100000188475 [2,0,0,0,0,0|0,0,2]=4 2461 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000243816_100000210303 [2,0,0,0,0,0|0,0,2]=4 2462 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000211992_100011216630 [2,0,0,0,0,0|2,0,0]=4 2463 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000748435_100000210303 [2,0,0,0,0,0|2,0,0]=4 2464 B10R0.2 CCCC(C)CC(=O)NCC 11a_100015525214_100000748435 [2,0,0,0,0,0|2,0,0]=4 2465 B10R0.2 CCCC(C)CC(=O)NCC 240690a_100015525214_100000748435 [2,0,0,0,0,0|2,0,0]=4 2466 B10R0.2 CCCC(C)CC(=O)NCC 527a_100015525214_100000748435 [2,0,0,0,0,0|2,0,0]=4 2467 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000220588_100000210303 [2,0,0,0,0,0|2,0,0]=4 2468 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000221057_200000210301 [2,0,0,0,0,0|2,0,0]=4 2469 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000747261_100000188475 [2,0,0,0,0,0|2,0,0]=4 2470 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000221057_200000210301 [2,0,0,0,0,0|2,0,0]=4 2471 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000747261_100000188475 [2,0,0,0,0,0|2,0,0]=4 2472 B10R0.2 CCCN([13CH3])CC(=O)OCC 2230a_100000221057_200025704644 [2,0,0,0,0,0|2,0,0]=4 2473 B10R0.2 CCCN([13CH3])CC(=O)OCC 269982a_100000221057_200025704644 [2,0,0,0,0,0|2,0,0]=4 2474 B10R0.2 CCNC(C)CC(=O)OCC 2230a_100015525214_100009817359 [2,0,0,0,0,0|2,0,0]=4 2475 B10R0.2 CCOC(=O)CC(C)SCC 62a_100000210202_100009817359 [2,0,0,0,0,0|2,0,0]=4 2476 B10R0.2 CCOC(=O)CC(C)SCC 62a_100009817359_100000210202 [2,0,0,0,0,0|2,0,0]=4 2477 B10R0.2 CCOC(=O)C[C@@H](C)OCC 7a_100009816390_100000210202 [2,0,0,0,0,0|2,0,0]=4 2478 B10R0.2 CCOC(=O)C[C@H](O)CNC 34a_100102657272_100000688340 [2,0,0,0,0,0|1,0,0]=3 2479 B10R0.2 CCOC(=O)C[C@H](O)CNC 7a_106832991635_100000688340 [2,0,0,0,0,0|1,0,0]=3 2480 B10R0.2 CCOC(=O)C[C@H](O)COC 34a_100138415774_100000688340 [2,0,0,0,0,0|1,0,0]=3 2481 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_100000688340_200000210301 [2,0,0,0,0,0|1,0,0]=3 2482 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_200000210301_100000688340 [2,0,0,0,0,0|1,0,0]=3 2483 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_100000688340_200025704644 [2,0,0,0,0,0|1,0,0]=3 2484 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_200025704644_100000688340 [2,0,0,0,0,0|1,0,0]=3 2485 B10R0.18 CCCCC(=O)CC(=O)CC 1458a_100000210183_100000747405 [2,0,0,0,0,0|0,0,2]=4 2486 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000210183_100000747449 [2,0,0,0,0,0|0,0,2]=4 2487 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000211351_100000210211 [2,0,0,0,0,0|0,0,2]=4 2488 B10R0.18 CCCCC(C)NC(=O)CC 11a_100000126638_100000210414 [2,0,0,0,0,0|2,0,0]=4 2489 B10R0.18 CCCCC(C)NC(=O)CC 1626a_100000126638_100000210414 [2,0,0,0,0,0|2,0,0]=4 2490 B10R0.18 CCCCC(C)NC(=O)CC 240690a_100000126638_100000210414 [2,0,0,0,0,0|2,0,0]=4 2491 B10R0.18 CCCCC(C)NC(=O)CC 527a_100000126638_100000210414 [2,0,0,0,0,0|2,0,0]=4 2492 B10R0.18 CCCCN(C)CC(=O)CC 269982a_100000207549_100000747405 [2,0,0,0,0,0|2,0,0]=4 2493 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000198492_100000210211 [2,0,0,0,0,0|2,0,0]=4 2494 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000207549_100000747449 [2,0,0,0,0,0|2,0,0]=4 2495 B10R0.18 CCCCN(C)CC(=O)OC 269982a_100000207549_100000747449 [2,0,0,0,0,0|2,0,0]=4 2496 B10R0.18 CCCOC(C)CC(=O)OC 34a_100000210258_100009817358 [2,0,0,0,0,0|2,0,0]=4 2497 B10R0.18 CCCSC(C)CC(=O)OC 62a_100000210303_100009817358 [2,0,0,0,0,0|2,0,0]=4 2498 B10R0.18 CCCSC(C)CC(=O)OC 62a_100009817358_100000210303 [2,0,0,0,0,0|2,0,0]=4 2499 B10R0.18 CCOC[C@H](O)CC(=O)OC 34a_100121572206_100000754131 [2,0,0,0,0,0|1,0,0]=3 2500 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000210202_100000754131 [2,0,0,0,0,0|1,0,0]=3 2501 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210202 [2,0,0,0,0,0|1,0,0]=3 2502 B10R0.18 COC(=O)C[C@@H](O)CSCF 62a_100000754131_100015361967 [2,0,0,0,0,0|2,0,0]=4 2503 B10R0.18 COC(=O)C[C@@H](O)CSCF 62a_100015361967_100000754131 [2,0,0,0,0,0|2,0,0]=4 2504 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [2,0,0,0,0,0|0,0,2]=4 2505 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [2,0,0,0,0,0|0,0,2]=4 2506 B10R0.91 CCCCCN(C)COCC 269982a_100000223495_100000739092 [2,0,0,0,0,0|2,0,0]=4 2507 B10R0.91 CCCCOC(C)COCC 34a_100000718985_100000210210 [2,0,0,0,0,0|2,0,0]=4 2508 B10R0.91 CCCCOC(C)COCC 7a_100000718985_100000210211 [2,0,0,0,0,0|2,0,0]=4 2509 B10R0.91 CCCNCC(O)COCC 2230a_102515437182_100000210303 [2,0,0,0,0,0|1,0,0]=3 2510 B10R0.91 CCCNCC(O)COCC 34a_102515437182_100000210303 [2,0,0,0,0,0|1,0,0]=3 2511 B10R0.91 CCOCC(O)CNCCF 2230a_102515437182_100011217306 [2,0,0,0,0,0|2,0,0]=4 2512 B10R0.91 CCOCC(O)CNCCF 34a_102515437182_100011217306 [2,0,0,0,0,0|2,0,0]=4 2513 B10R0.91 CCOCC(O)CNCCO 2230a_102515437182_100000211926 [2,0,0,0,0,0|2,0,0]=4 2514 B10R0.91 CCOCC(O)CNCCO 34a_102515437182_100000211926 [2,0,0,0,0,0|2,0,0]=4 2515 B10R0.91 CCOCC(O)CNCOC 2230a_102515437182_100000766300 [2,0,0,0,0,0|2,0,0]=4 2516 B10R0.91 CCOCC(O)CNCSC 2230a_102515437182_100011218213 [2,0,0,0,0,0|2,0,0]=4 2517 B10R0.91 CCOCC(O)CNCSC 34a_102515437182_100011218213 [2,0,0,0,0,0|2,0,0]=4 2518 B10R0.91 CCOC[C@@H](N)CCCCN 34a_100016993712_100000210202 [2,0,0,0,0,0|2,0,0]=4 2519 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [2,0,0,0,0,0|0,0,2]=4 2520 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [2,0,0,0,0,0|2,0,0]=4 2521 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [2,0,0,0,0,0|2,0,0]=4 2522 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [2,0,0,0,0,0|2,0,0]=4 2523 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [2,0,0,0,0,0|2,0,0]=4 2524 B10R0.6 CCCCCN(C)CC(=O)O 269956a_100000746989_100000210326 [2,0,0,0,0,0|2,0,0]=4 2525 B10R0.6 CCCNCC(O)CC(=O)O 269956a_100011218706_100000210207 [2,0,0,0,0,0|1,0,0]=3 2526 B10R0.6 COCNCC(O)CC(=O)O 269956a_100011218706_100000766300 [2,0,0,0,0,0|2,0,0]=4 2527 B10R0.6 CSCNCC(O)CC(=O)O 269956a_100011218706_100011218213 [2,0,0,0,0,0|2,0,0]=4 2528 B10R0.6 O=C(O)CC(O)CNCCF 269956a_100011218706_100011217306 [2,0,0,0,0,0|2,0,0]=4 2529 B10R0.6 O=C(O)CC(O)CNCCO 269956a_100011218706_100000211926 [2,0,0,0,0,0|2,0,0]=4 2530 B12R0.1 C#CCCCCCCC(=O)CCC 1458a_100000034748_100000210303 [1,1,0,0,0,0|1,0,1]=4 2531 B12R0.1 C#CCCCCCCC(=O)CCC 1458a_100000211992_100012276617 [1,1,0,0,0,0|1,0,1]=4 2532 B12R0.1 C#CCCCCCCC(=O)NCC 11a_100015525214_100000034748 [1,1,0,0,0,0|1,0,1]=4 2533 B12R0.1 C#CCCCCCCC(=O)NCC 240690a_100015525214_100000034748 [1,1,0,0,0,0|1,0,1]=4 2534 B12R0.1 C#CCCCCCCC(=O)NCC 527a_100015525214_100000034748 [1,1,0,0,0,0|1,0,1]=4 2535 B12R0.1 C#CCCCCNCC(=O)OCC 2230a_100000706060_100000188475 [1,1,0,0,0,0|0,0,2]=4 2536 B12R0.1 C#CCCCCNCC(=O)OCC 34a_100000706060_100000188475 [1,1,0,0,0,0|0,0,2]=4 2537 B12R0.1 C#CCCCCOCC(=O)OCC 34a_100000766709_100000188475 [1,1,0,0,0,0|0,0,2]=4 2538 B12R0.1 C#CCCCCOCC(=O)OCC 7a_100000766709_100000188475 [1,1,0,0,0,0|0,0,2]=4 2539 B12R0.1 C#CCCCCSCC(=O)OCC 62a_100000188475_100010269958 [1,1,0,0,0,0|0,0,2]=4 2540 B12R0.1 C#CCCCCSCC(=O)OCC 62a_100010269958_100000188475 [1,1,0,0,0,0|0,0,2]=4 2541 B12R0.1 C#CCCCNCCC(=O)OCC 34a_100000718082_100000765890 [1,1,0,0,0,0|0,0,2]=4 2542 B12R0.1 C#CCCCOCCC(=O)OCC 34a_100000215630_100000765890 [1,1,0,0,0,0|0,0,2]=4 2543 B12R0.1 C#CCCCOCCC(=O)OCC 7a_100000215630_100011206558 [1,1,0,0,0,0|0,0,2]=4 2544 B12R0.1 C#CCCCSCCC(=O)OCC 62a_100000765890_100011215417 [1,1,0,0,0,0|0,0,2]=4 2545 B12R0.1 C#CCCCSCCC(=O)OCC 62a_100011215417_100000765890 [1,1,0,0,0,0|0,0,2]=4 2546 B12R0.1 C#CCCNCCCC(=O)OCC 34a_100000755551_100009991533 [1,1,0,0,0,0|0,0,2]=4 2547 B12R0.1 C#CCCOCCCC(=O)OCC 34a_100011215631_100009991533 [1,1,0,0,0,0|0,0,2]=4 2548 B12R0.1 C#CCCOCCCC(=O)OCC 7a_100012001163_100000688953 [1,1,0,0,0,0|0,0,2]=4 2549 B12R0.1 C#CCCSCCCC(=O)OCC 62a_100000688953_100009991533 [1,1,0,0,0,0|0,0,2]=4 2550 B12R0.1 C#CCCSCCCC(=O)OCC 62a_100009991533_100000688953 [1,1,0,0,0,0|0,0,2]=4 2551 B12R0.1 C#CCNCCCCC(=O)OCC 34a_100000212058_100000750268 [1,1,0,0,0,0|0,0,2]=4 2552 B12R0.1 C#CCOCCCCC(=O)OCC 34a_100000210247_100000750268 [1,1,0,0,0,0|0,0,2]=4 2553 B12R0.1 C#CCSCCCCC(=O)OCC 62a_100000038162_100000750268 [1,1,0,0,0,0|0,0,2]=4 2554 B12R0.1 C/C=C/CCOCCC(=O)OCC 34a_100016278192_100000765890 [1,1,0,0,0,0|0,0,2]=4 2555 B12R0.1 C/C=C/COCCCC(=O)OCC 34a_100016270725_100009991533 [1,1,0,0,0,0|0,0,2]=4 2556 B12R0.1 C/C=C/COCCCC(=O)OCC 7a_100012001163_100102629194 [1,1,0,0,0,0|0,0,2]=4 2557 B12R0.1 C/C=C/CSCCCC(=O)OCC 62a_100009991533_100102629194 [1,1,0,0,0,0|0,0,2]=4 2558 B12R0.1 C/C=C/CSCCCC(=O)OCC 62a_100102629194_100009991533 [1,1,0,0,0,0|0,0,2]=4 2559 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100000211992_100011215473 [1,1,0,0,0,0|1,0,1]=4 2560 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100011809334_100000210303 [1,1,0,0,0,0|1,0,1]=4 2561 B12R0.1 C=CCCCCCCC(=O)NCC 11a_100015525214_100011809334 [1,1,0,0,0,0|1,0,1]=4 2562 B12R0.1 C=CCCCCCCC(=O)NCC 240690a_100015525214_100011809334 [1,1,0,0,0,0|1,0,1]=4 2563 B12R0.1 C=CCCCCCCC(=O)NCC 527a_100015525214_100011809334 [1,1,0,0,0,0|1,0,1]=4 2564 B12R0.1 C=CCCCCNCC(=O)OCC 2230a_100000703577_100000188475 [1,1,0,0,0,0|0,0,2]=4 2565 B12R0.1 C=CCCCCNCC(=O)OCC 34a_100000703577_100000188475 [1,1,0,0,0,0|0,0,2]=4 2566 B12R0.1 C=CCCCCOCC(=O)OCC 34a_100000766645_100000188475 [1,1,0,0,0,0|0,0,2]=4 2567 B12R0.1 C=CCCCCOCC(=O)OCC 7a_100000766645_100000188475 [1,1,0,0,0,0|0,0,2]=4 2568 B12R0.1 C=CCCCCSCC(=O)OCC 62a_100000188475_100011215482 [1,1,0,0,0,0|0,0,2]=4 2569 B12R0.1 C=CCCCCSCC(=O)OCC 62a_100011215482_100000188475 [1,1,0,0,0,0|0,0,2]=4 2570 B12R0.1 C=CCCCNCCC(=O)OCC 2230a_100000700776_100011206558 [1,1,0,0,0,0|0,0,2]=4 2571 B12R0.1 C=CCCCNCCC(=O)OCC 34a_100000700776_100000765890 [1,1,0,0,0,0|0,0,2]=4 2572 B12R0.1 C=CCCCOCCC(=O)OCC 34a_100000758997_100000765890 [1,1,0,0,0,0|0,0,2]=4 2573 B12R0.1 C=CCCCOCCC(=O)OCC 7a_100000758997_100011206558 [1,1,0,0,0,0|0,0,2]=4 2574 B12R0.1 C=CCCCSCCC(=O)OCC 62a_100000765890_100000757094 [1,1,0,0,0,0|0,0,2]=4 2575 B12R0.1 C=CCCCSCCC(=O)OCC 62a_100011713584_100000765890 [1,1,0,0,0,0|0,0,2]=4 2576 B12R0.1 C=CCCNCCCC(=O)OCC 2230a_100015191253_100009991533 [1,1,0,0,0,0|0,0,2]=4 2577 B12R0.1 C=CCCOCCCC(=O)OCC 34a_100011205117_100009991533 [1,1,0,0,0,0|0,0,2]=4 2578 B12R0.1 C=CCCOCCCC(=O)OCC 7a_100012001163_100000754431 [1,1,0,0,0,0|0,0,2]=4 2579 B12R0.1 C=CCCSCCCC(=O)OCC 62a_100000754431_100009991533 [1,1,0,0,0,0|0,0,2]=4 2580 B12R0.1 C=CCCSCCCC(=O)OCC 62a_100009991533_100000754431 [1,1,0,0,0,0|0,0,2]=4 2581 B12R0.1 C=CCNCCCCC(=O)OCC 2230a_100020586998_100000750268 [1,1,0,0,0,0|0,0,2]=4 2582 B12R0.1 C=CCOCCCCC(=O)OCC 34a_200000210373_100000750268 [1,1,0,0,0,0|0,0,2]=4 2583 B12R0.1 C=CCSCCCCC(=O)OCC 62a_100000210623_100000750268 [1,1,0,0,0,0|0,0,2]=4 2584 B12R0.1 C=CCSCCCCC(=O)OCC 62a_100000750268_100000210623 [1,1,0,0,0,0|0,0,2]=4 2585 B12R0.1 C=COC(=O)CNCCCCCC 2230a_100000210581_100000036128 [1,1,0,0,0,0|0,0,2]=4 2586 B12R0.1 C=COC(=O)COCCCCCC 34a_100000210259_100000036128 [1,1,0,0,0,0|0,0,2]=4 2587 B12R0.1 C=COC(=O)CSCCCCCC 62a_100000036128_100000210757 [1,1,0,0,0,0|0,0,2]=4 2588 B12R0.1 C=COC(=O)CSCCCCCC 62a_100000210314_100000036128 [1,1,0,0,0,0|0,0,2]=4 2589 B12R0.1 CC#CC(=O)CCCCCCCC 1458a_100000763181_100000210759 [1,1,0,0,0,0|1,0,1]=4 2590 B12R0.1 CC#CC(=O)CCCCCCCO 1458a_100000763181_100000760002 [1,1,0,0,0,0|1,0,1]=4 2591 B12R0.1 CC#CC(=O)CCCCCCOC 1458a_100000763181_100011998445 [1,1,0,0,0,0|1,0,1]=4 2592 B12R0.1 CC#CCCOCCC(=O)OCC 34a_100000750427_100000765890 [1,1,0,0,0,0|0,0,2]=4 2593 B12R0.1 CC#CCNCCCC(=O)OCC 2230a_100000685387_100009991533 [1,1,0,0,0,0|0,0,2]=4 2594 B12R0.1 CC#CCNCCCC(=O)OCC 34a_100000685387_100009991533 [1,1,0,0,0,0|0,0,2]=4 2595 B12R0.1 CC#CCOCCCC(=O)OCC 34a_100000761923_100009991533 [1,1,0,0,0,0|0,0,2]=4 2596 B12R0.1 CC#CCOCCCC(=O)OCC 7a_100012001163_100000748600 [1,1,0,0,0,0|0,0,2]=4 2597 B12R0.1 CC#CCSCCCC(=O)OCC 62a_100000748600_100009991533 [1,1,0,0,0,0|0,0,2]=4 2598 B12R0.1 CC#CCSCCCC(=O)OCC 62a_100009991533_100000748600 [1,1,0,0,0,0|0,0,2]=4 2599 B12R0.1 CC/C=C\CCOCC(=O)OCC 34a_100016288707_100000188475 [1,1,0,0,0,0|0,0,2]=4 2600 B12R0.1 CC/C=C\CCOCC(=O)OCC 7a_100016288707_100000188475 [1,1,0,0,0,0|0,0,2]=4 2601 B12R0.1 CC/C=C\CCSCC(=O)OCC 62a_100000188475_100015370543 [1,1,0,0,0,0|0,0,2]=4 2602 B12R0.1 CC/C=C\CCSCC(=O)OCC 62a_100015370543_100000188475 [1,1,0,0,0,0|0,0,2]=4 2603 B12R0.1 CC/C=C\COCCC(=O)OCC 34a_100016268518_100000765890 [1,1,0,0,0,0|0,0,2]=4 2604 B12R0.1 CC/C=C\CSCCC(=O)OCC 62a_100000765890_100103147603 [1,1,0,0,0,0|0,0,2]=4 2605 B12R0.1 CC/C=C\CSCCC(=O)OCC 62a_100103147603_100000765890 [1,1,0,0,0,0|0,0,2]=4 2606 B12R0.1 CC=CC(=O)CCCCCCCC 1458a_100000210699_100000210759 [1,1,0,0,0,0|1,0,1]=4 2607 B12R0.1 CC=CC(=O)CCCCCCCO 1458a_100000210699_100000760002 [1,1,0,0,0,0|1,0,1]=4 2608 B12R0.1 CC=CC(=O)CCCCCCOC 1458a_100000210699_100011998445 [1,1,0,0,0,0|1,0,1]=4 2609 B12R0.1 CC=CC(=O)NCCCCCCC 11a_100000229938_100000210699 [1,1,0,0,0,0|1,0,1]=4 2610 B12R0.1 CC=CC(=O)NCCCCCCC 1626a_100000229938_100000210699 [1,1,0,0,0,0|1,0,1]=4 2611 B12R0.1 CC=CC(=O)NCCCCCCC 240690a_100000229938_100000210699 [1,1,0,0,0,0|1,0,1]=4 2612 B12R0.1 CC=CCCCOCC(=O)OCC 34a_100020645299_100000188475 [1,1,0,0,0,0|0,0,2]=4 2613 B12R0.1 CC=CCOCCCC(=O)OCC 7a_100012001163_100000070051 [1,1,0,0,0,0|0,0,2]=4 2614 B12R0.1 CC=CCSCCCC(=O)OCC 62a_100000070051_100009991533 [1,1,0,0,0,0|0,0,2]=4 2615 B12R0.1 CC=CCSCCCC(=O)OCC 62a_100009991533_100000070051 [1,1,0,0,0,0|0,0,2]=4 2616 B12R0.1 CCC#CCCOCC(=O)OCC 34a_100000036655_100000188475 [1,1,0,0,0,0|0,0,2]=4 2617 B12R0.1 CCC#CCCOCC(=O)OCC 7a_100000036655_100000188475 [1,1,0,0,0,0|0,0,2]=4 2618 B12R0.1 CCC#CCOCCC(=O)OCC 34a_100000032950_100000765890 [1,1,0,0,0,0|0,0,2]=4 2619 B12R0.1 CCC#CCSCCC(=O)OCC 62a_100000765890_100009813939 [1,1,0,0,0,0|0,0,2]=4 2620 B12R0.1 CCC#CCSCCC(=O)OCC 62a_100009813939_100000765890 [1,1,0,0,0,0|0,0,2]=4 2621 B12R0.1 CCC/C=C/COCC(=O)OCC 34a_100016278788_100000188475 [1,1,0,0,0,0|0,0,2]=4 2622 B12R0.1 CCC/C=C/COCC(=O)OCC 7a_100016278788_100000188475 [1,1,0,0,0,0|0,0,2]=4 2623 B12R0.1 CCCC#CCOCC(=O)OCC 34a_100000034806_100000188475 [1,1,0,0,0,0|0,0,2]=4 2624 B12R0.1 CCCC#CCOCC(=O)OCC 7a_100000034806_100000188475 [1,1,0,0,0,0|0,0,2]=4 2625 B12R0.1 CCCC(=O)CCCCCCC#N 1458a_100000211992_100009813337 [1,1,0,0,0,0|1,0,1]=4 2626 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100000211992_100000760002 [1,1,0,0,0,0|1,0,0]=3 2627 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100011219782_100000210303 [1,1,0,0,0,0|1,0,0]=3 2628 B12R0.1 CCCC(=O)CCCCCCOC 1458a_100000211992_100011998445 [1,1,0,0,0,0|1,0,0]=3 2629 B12R0.1 CCCC(=O)CCCOCCOC 1458a_100000211992_100011216529 [1,1,0,0,0,0|2,0,0]=4 2630 B12R0.1 CCCC(=O)CCOCCOCC 1458a_100000211992_100011211534 [1,1,0,0,0,0|2,0,0]=4 2631 B12R0.1 CCCC(=O)CNCCCCCO 2230a_100000762737_100000747444 [1,1,0,0,0,0|2,0,0]=4 2632 B12R0.1 CCCC(=O)CNCCCOCC 2230a_100000210961_100000747444 [1,1,0,0,0,0|2,0,0]=4 2633 B12R0.1 CCCC(=O)COCCCCCBr 7a_100000746331_100000747444 [1,1,0,0,0,0|2,0,0]=4 2634 B12R0.1 CCCC(=O)COCCCCCCl 7a_100000746330_100000747444 [1,1,0,0,0,0|2,0,0]=4 2635 B12R0.1 CCCC(=O)COCCCCCI 7a_200012148887_100000747444 [1,1,0,0,0,0|2,0,0]=4 2636 B12R0.1 CCCC(=O)COCCCCSC 7a_100011217163_100000747444 [1,1,0,0,0,0|2,0,0]=4 2637 B12R0.1 CCCC(=O)COCCCOCC 7a_100000757476_100000747444 [1,1,0,0,0,0|2,0,0]=4 2638 B12R0.1 CCCC(=O)COCCCSCC 7a_100011216438_100000747444 [1,1,0,0,0,0|2,0,0]=4 2639 B12R0.1 CCCC(=O)CSCCCCCF 62a_100000729378_100000747444 [1,1,0,0,0,0|2,0,0]=4 2640 B12R0.1 CCCC(=O)CSCCCCCF 62a_100000747444_100000729378 [1,1,0,0,0,0|2,0,0]=4 2641 B12R0.1 CCCC(=O)CSCCCCCO 62a_100000746330_100000747444 [1,1,0,0,0,0|2,0,0]=4 2642 B12R0.1 CCCC(=O)CSCCCCCO 62a_100000747444_100000746330 [1,1,0,0,0,0|2,0,0]=4 2643 B12R0.1 CCCC(=O)CSCCCCOC 62a_100000730899_100000747444 [1,1,0,0,0,0|2,0,0]=4 2644 B12R0.1 CCCC(=O)CSCCCCOC 62a_100000747444_100000730899 [1,1,0,0,0,0|2,0,0]=4 2645 B12R0.1 CCCC(=O)CSCCCOCC 62a_100000747444_100012232248 [1,1,0,0,0,0|2,0,0]=4 2646 B12R0.1 CCCC(=O)CSCCCOCC 62a_100012232248_100000747444 [1,1,0,0,0,0|2,0,0]=4 2647 B12R0.1 CCCC(=O)NCCCCCCO 240690a_100000686447_100000211992 [1,1,0,0,0,0|2,0,0]=4 2648 B12R0.1 CCCC(=O)NCCCCCCO 527a_100000686447_100000211992 [1,1,0,0,0,0|2,0,0]=4 2649 B12R0.1 CCCC(=O)NCCCCCOC 11a_100000747528_100000211992 [1,1,0,0,0,0|2,0,0]=4 2650 B12R0.1 CCCC(=O)NCCCCCOC 1626a_100000747528_100000211992 [1,1,0,0,0,0|2,0,0]=4 2651 B12R0.1 CCCC(=O)NCCCCCOC 240690a_100000747528_100000211992 [1,1,0,0,0,0|2,0,0]=4 2652 B12R0.1 CCCC(=O)NCCCCCOC 527a_100000747528_100000211992 [1,1,0,0,0,0|2,0,0]=4 2653 B12R0.1 CCCCC/C=C/CC(=O)CCC 1458a_100020675968_100000210303 [1,1,0,0,0,0|1,0,1]=4 2654 B12R0.1 CCCCC/C=C/CC(=O)NCC 11a_100015525214_100020675968 [1,1,0,0,0,0|1,0,1]=4 2655 B12R0.1 CCCCC/C=C/CC(=O)NCC 240690a_100015525214_100020675968 [1,1,0,0,0,0|1,0,1]=4 2656 B12R0.1 CCCCCC#CCC(=O)CCC 1458a_100000211992_100009816472 [1,1,0,0,0,0|1,0,1]=4 2657 B12R0.1 CCCCCCC=CC(=O)CCC 1458a_200015324643_100000210303 [1,1,0,0,0,0|1,0,1]=4 2658 B12R0.1 CCCCCCC=CC(=O)NCC 11a_100015525214_200015324643 [1,1,0,0,0,0|1,0,1]=4 2659 B12R0.1 CCCCCCC=CC(=O)NCC 240690a_100015525214_200015324643 [1,1,0,0,0,0|1,0,1]=4 2660 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000210188_100000210303 [1,1,0,0,0,0|1,0,0]=3 2661 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000211992_100000210759 [1,1,0,0,0,0|1,0,0]=3 2662 B12R0.1 CCCCCCCCC(=O)CCF 1458a_100000210188_100011217306 [1,1,0,0,0,0|2,0,0]=4 2663 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100000210188_100000211926 [1,1,0,0,0,0|2,0,0]=4 2664 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100011216618_100000210759 [1,1,0,0,0,0|2,0,0]=4 2665 B12R0.1 CCCCCCCCC(=O)COC 1458a_100000210968_100000210759 [1,1,0,0,0,0|2,0,0]=4 2666 B12R0.1 CCCCCCCCC(=O)CSC 1458a_100000184570_100000210759 [1,1,0,0,0,0|2,0,0]=4 2667 B12R0.1 CCCCCCCCC(=O)NCC 11a_100015525214_100000210188 [1,1,0,0,0,0|1,0,0]=3 2668 B12R0.1 CCCCCCCCC(=O)NCC 240690a_100015525214_100000210188 [1,1,0,0,0,0|1,0,0]=3 2669 B12R0.1 CCCCCCCCC(=O)NCC 527a_100015525214_100000210188 [1,1,0,0,0,0|1,0,0]=3 2670 B12R0.1 CCCCCCCCC(=O)NNC 22a_100016993582_100000210188 [1,1,0,0,0,0|2,0,0]=4 2671 B12R0.1 CCCCCCCCC(C)OCC 34a_100000210740_100000210202 [1,1,0,0,0,0|1,0,1]=4 2672 B12R0.1 CCCCCCCCC(C)OCC 7a_100000210740_100000210202 [1,1,0,0,0,0|1,0,1]=4 2673 B12R0.1 CCCCCCCNC(=O)CCC 11a_100000229938_100000211992 [1,1,0,0,0,0|1,0,0]=3 2674 B12R0.1 CCCCCCCNC(=O)CCC 1626a_100000229938_100000211992 [1,1,0,0,0,0|1,0,0]=3 2675 B12R0.1 CCCCCCCNC(=O)CCC 240690a_100000229938_100000211992 [1,1,0,0,0,0|1,0,0]=3 2676 B12R0.1 CCCCCCCNC(=O)CCC 527a_100000229938_100000211992 [1,1,0,0,0,0|1,0,0]=3 2677 B12R0.1 CCCCCCCNC(=O)CCO 240690a_100000229938_100011216618 [1,1,0,0,0,0|2,0,0]=4 2678 B12R0.1 CCCCCCCNC(=O)COC 11a_100000229938_100000210968 [1,1,0,0,0,0|2,0,0]=4 2679 B12R0.1 CCCCCCCNC(=O)COC 1626a_100000229938_100000210968 [1,1,0,0,0,0|2,0,0]=4 2680 B12R0.1 CCCCCCCNC(=O)COC 240690a_100000229938_100000210968 [1,1,0,0,0,0|2,0,0]=4 2681 B12R0.1 CCCCCCCNC(=O)COC 527a_100000229938_100000210968 [1,1,0,0,0,0|2,0,0]=4 2682 B12R0.1 CCCCCCCNC(=O)CSC 11a_100000229938_100000184570 [1,1,0,0,0,0|2,0,0]=4 2683 B12R0.1 CCCCCCCNC(=O)CSC 1626a_100000229938_100000184570 [1,1,0,0,0,0|2,0,0]=4 2684 B12R0.1 CCCCCCCNC(=O)CSC 240690a_100000229938_100000184570 [1,1,0,0,0,0|2,0,0]=4 2685 B12R0.1 CCCCCCCNC(=O)CSC 527a_100000229938_100000184570 [1,1,0,0,0,0|2,0,0]=4 2686 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100000229938_100015525214 [1,1,0,0,0,0|1,0,0]=3 2687 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100015525214_100000229938 [1,1,0,0,0,0|1,0,0]=3 2688 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100000229938_100015525214 [1,1,0,0,0,0|1,0,0]=3 2689 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100015525214_100000229938 [1,1,0,0,0,0|1,0,0]=3 2690 B12R0.1 CCCCCCCNC(=O)NCC 512a_100000229938_100015525214 [1,1,0,0,0,0|1,0,0]=3 2691 B12R0.1 CCCCCCCNC(=O)NCC 512a_100015525214_100000229938 [1,1,0,0,0,0|1,0,0]=3 2692 B12R0.1 CCCCCCCNC(=O)NNC 273464a_100000229938_100016993582 [1,1,0,0,0,0|2,0,0]=4 2693 B12R0.1 CCCCCCCNC(=O)NNC 512a_100000229938_100016993582 [1,1,0,0,0,0|2,0,0]=4 2694 B12R0.1 CCCCCCCNC(=O)NNC 512a_100016993582_100000229938 [1,1,0,0,0,0|2,0,0]=4 2695 B12R0.1 CCCCCCNCC(=O)CCC 2230a_100000210581_100000747444 [1,1,0,0,0,0|1,0,0]=3 2696 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100000210581_100000183381 [1,1,0,0,0,0|1,0,0]=3 2697 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100016988866_100000210314 [1,1,0,0,0,0|1,0,0]=3 2698 B12R0.1 CCCCCCNCC(=O)NCO 2230a_100000210581_100000185155 [1,1,0,0,0,0|2,0,0]=4 2699 B12R0.1 CCCCCCNCC(=O)OCC 2230a_100000210581_100000188475 [1,1,0,0,0,0|0,0,0]=2 2700 B12R0.1 CCCCCCOCC(=O)CCC 7a_100000210259_100000747444 [1,1,0,0,0,0|1,0,0]=3 2701 B12R0.1 CCCCCCOCC(=O)NCC 34a_100000210259_100000183381 [1,1,0,0,0,0|1,0,0]=3 2702 B12R0.1 CCCCCCOCC(=O)NCC 7a_100000210259_100000183381 [1,1,0,0,0,0|1,0,0]=3 2703 B12R0.1 CCCCCCOCC(=O)NCO 34a_100000210259_100000185155 [1,1,0,0,0,0|2,0,0]=4 2704 B12R0.1 CCCCCCOCC(=O)NCO 7a_100000210259_100000185155 [1,1,0,0,0,0|2,0,0]=4 2705 B12R0.1 CCCCCCOCC(=O)OCC 34a_100000210259_100000188475 [1,1,0,0,0,0|0,0,0]=2 2706 B12R0.1 CCCCCCOCC(=O)OCC 7a_100000210259_100000188475 [1,1,0,0,0,0|0,0,0]=2 2707 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000210314_100000747444 [1,1,0,0,0,0|1,0,0]=3 2708 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000747444_100000210757 [1,1,0,0,0,0|1,0,0]=3 2709 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000183381_100000210757 [1,1,0,0,0,0|1,0,0]=3 2710 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000210314_100000183381 [1,1,0,0,0,0|1,0,0]=3 2711 B12R0.1 CCCCCCSCC(=O)NCO 62a_100000185155_100000210757 [1,1,0,0,0,0|2,0,0]=4 2712 B12R0.1 CCCCCCSCC(=O)NCO 62a_100000210314_100000185155 [1,1,0,0,0,0|2,0,0]=4 2713 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000188475_100000210757 [1,1,0,0,0,0|0,0,0]=2 2714 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000210314_100000188475 [1,1,0,0,0,0|0,0,0]=2 2715 B12R0.1 CCCCCNCCC(=O)NCC 2230a_100000209983_100000737597 [1,1,0,0,0,0|1,0,0]=3 2716 B12R0.1 CCCCCNCCC(=O)NCC 34a_100025743525_100000718602 [1,1,0,0,0,0|1,0,0]=3 2717 B12R0.1 CCCCCNCCC(=O)OCC 2230a_100000209983_100011206558 [1,1,0,0,0,0|0,0,0]=2 2718 B12R0.1 CCCCCNCOC(=O)CCC 2230a_100000209983_100000034017 [1,1,0,0,0,0|2,0,0]=4 2719 B12R0.1 CCCCCNN=CC(=O)OCC 4a_100000694160_100000742314 [1,1,0,0,0,0|1,0,1]=4 2720 B12R0.1 CCCCCOCCC(=O)NCC 7a_100000210253_100000737597 [1,1,0,0,0,0|1,0,0]=3 2721 B12R0.1 CCCCCOCCC(=O)OCC 34a_100000210253_100000765890 [1,1,0,0,0,0|0,0,0]=2 2722 B12R0.1 CCCCCOCCC(=O)OCC 7a_100000210253_100011206558 [1,1,0,0,0,0|0,0,0]=2 2723 B12R0.1 CCCCCOCOC(=O)CCC 34a_100000210253_100000034017 [1,1,0,0,0,0|2,0,0]=4 2724 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000210326_100000737597 [1,1,0,0,0,0|1,0,0]=3 2725 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000737597_100000210326 [1,1,0,0,0,0|1,0,0]=3 2726 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000210326_100000765890 [1,1,0,0,0,0|0,0,0]=2 2727 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000765890_100000210326 [1,1,0,0,0,0|0,0,0]=2 2728 B12R0.1 CCCCCSCOC(=O)CCC 62a_100000210326_100000034017 [1,1,0,0,0,0|2,0,0]=4 2729 B12R0.1 CCCCCSCOC(=O)OCC 62a_100000210326_100000075025 [1,1,0,0,0,0|1,0,0]=3 2730 B12R0.1 CCCCNC/C=C/C(=O)OCC 2230a_100000102301_100016267167 [1,1,0,0,0,0|0,0,2]=4 2731 B12R0.1 CCCCNC/C=C/C(=O)OCC 7a_106832991798_100016267167 [1,1,0,0,0,0|0,0,2]=4 2732 B12R0.1 CCCCNCCCC(=O)OCC 2230a_100000102301_100009991533 [1,1,0,0,0,0|0,0,0]=2 2733 B12R0.1 CCCCNCCCC(=O)OCC 7a_106832991798_100011215271 [1,1,0,0,0,0|0,0,0]=2 2734 B12R0.1 CCCCNCCNC(=O)OCC 7a_106832991798_200011445536 [1,1,0,0,0,0|1,0,0]=3 2735 B12R0.1 CCCCOC/C=C/C(=O)OCC 34a_100000210227_100016267167 [1,1,0,0,0,0|0,0,2]=4 2736 B12R0.1 CCCCOC/C=C/C(=O)OCC 7a_100000210227_100016267167 [1,1,0,0,0,0|0,0,2]=4 2737 B12R0.1 CCCCOCCCC(=O)OCC 34a_100000210227_100009991533 [1,1,0,0,0,0|0,0,0]=2 2738 B12R0.1 CCCCOCCCC(=O)OCC 7a_100000210227_100011215271 [1,1,0,0,0,0|0,0,0]=2 2739 B12R0.1 CCCCOCCCC(=O)OCC 7a_100012001163_100000210211 [1,1,0,0,0,0|0,0,0]=2 2740 B12R0.1 CCCCOCCNC(=O)OCC 34a_100000158857_100000210210 [1,1,0,0,0,0|1,0,0]=3 2741 B12R0.1 CCCCOCCNC(=O)OCC 7a_100000210227_200011445536 [1,1,0,0,0,0|1,0,0]=3 2742 B12R0.1 CCCCOCNCC(=O)NCC 2230a_100016988866_100011995733 [1,1,0,0,0,0|2,0,0]=4 2743 B12R0.1 CCCCOCSCC(=O)CCC 62a_100000747444_100011995733 [1,1,0,0,0,0|2,0,0]=4 2744 B12R0.1 CCCCOCSCC(=O)CCC 62a_100011995733_100000747444 [1,1,0,0,0,0|2,0,0]=4 2745 B12R0.1 CCCCOCSCC(=O)NCC 62a_100000183381_100011995733 [1,1,0,0,0,0|2,0,0]=4 2746 B12R0.1 CCCCOCSCC(=O)NCC 62a_100011995733_100000183381 [1,1,0,0,0,0|2,0,0]=4 2747 B12R0.1 CCCCOCSCC(=O)OCC 62a_100000188475_100011995733 [1,1,0,0,0,0|1,0,0]=3 2748 B12R0.1 CCCCOCSCC(=O)OCC 62a_100011995733_100000188475 [1,1,0,0,0,0|1,0,0]=3 2749 B12R0.1 CCCCSC/C=C/C(=O)OCC 62a_100000210211_100016267167 [1,1,0,0,0,0|0,0,2]=4 2750 B12R0.1 CCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210210 [1,1,0,0,0,0|0,0,2]=4 2751 B12R0.1 CCCCSCCCC(=O)OCC 62a_100000210211_100009991533 [1,1,0,0,0,0|0,0,0]=2 2752 B12R0.1 CCCCSCCCC(=O)OCC 62a_100009991533_100000210210 [1,1,0,0,0,0|0,0,0]=2 2753 B12R0.1 CCCCSCCNC(=O)CCC 11a_100025743550_100000211992 [1,1,0,0,0,0|2,0,0]=4 2754 B12R0.1 CCCCSCCNC(=O)CCC 1626a_100025743550_100000211992 [1,1,0,0,0,0|2,0,0]=4 2755 B12R0.1 CCCCSCCNC(=O)CCC 240690a_100025743550_100000211992 [1,1,0,0,0,0|2,0,0]=4 2756 B12R0.1 CCCCSCCNC(=O)CCC 527a_100025743550_100000211992 [1,1,0,0,0,0|2,0,0]=4 2757 B12R0.1 CCCCSCCNC(=O)NCC 2708a_100015525214_100025743550 [1,1,0,0,0,0|2,0,0]=4 2758 B12R0.1 CCCCSCCNC(=O)NCC 2708a_100025743550_100015525214 [1,1,0,0,0,0|2,0,0]=4 2759 B12R0.1 CCCCSCCNC(=O)NCC 273464a_100015525214_100025743550 [1,1,0,0,0,0|2,0,0]=4 2760 B12R0.1 CCCCSCCNC(=O)NCC 273464a_100025743550_100015525214 [1,1,0,0,0,0|2,0,0]=4 2761 B12R0.1 CCCCSCCNC(=O)NCC 512a_100015525214_100025743550 [1,1,0,0,0,0|2,0,0]=4 2762 B12R0.1 CCCCSCCNC(=O)NCC 512a_100025743550_100015525214 [1,1,0,0,0,0|2,0,0]=4 2763 B12R0.1 CCCCSCCNC(=O)OCC 62a_100000210211_200011445536 [1,1,0,0,0,0|1,0,0]=3 2764 B12R0.1 CCCOCCCCC(=O)OCC 34a_100000210258_100000750268 [1,1,0,0,0,0|0,0,0]=2 2765 B12R0.1 CCCOCCCNC(=O)CCC 1626a_100011217757_100000211992 [1,1,0,0,0,0|2,0,0]=4 2766 B12R0.1 CCCOCCCNC(=O)CCC 240690a_100011217757_100000211992 [1,1,0,0,0,0|2,0,0]=4 2767 B12R0.1 CCCOCCCNC(=O)CCC 527a_100011217757_100000211992 [1,1,0,0,0,0|2,0,0]=4 2768 B12R0.1 CCCOCCCNC(=O)NCC 2708a_100011217757_100015525214 [1,1,0,0,0,0|2,0,0]=4 2769 B12R0.1 CCCOCCCNC(=O)NCC 2708a_100015525214_100011217757 [1,1,0,0,0,0|2,0,0]=4 2770 B12R0.1 CCCOCCCNC(=O)NCC 273464a_100011217757_100015525214 [1,1,0,0,0,0|2,0,0]=4 2771 B12R0.1 CCCOCCCNC(=O)NCC 273464a_100015525214_100011217757 [1,1,0,0,0,0|2,0,0]=4 2772 B12R0.1 CCCOCCCNC(=O)NCC 512a_100011217757_100015525214 [1,1,0,0,0,0|2,0,0]=4 2773 B12R0.1 CCCOCCCNC(=O)NCC 512a_100015525214_100011217757 [1,1,0,0,0,0|2,0,0]=4 2774 B12R0.1 CCCOCCNCC(=O)CCC 2230a_100161115042_100000747444 [1,1,0,0,0,0|2,0,0]=4 2775 B12R0.1 CCCOCCNCC(=O)NCC 2230a_100016988866_100011215938 [1,1,0,0,0,0|2,0,0]=4 2776 B12R0.1 CCCOCCNCC(=O)NCC 2230a_100161115042_100000183381 [1,1,0,0,0,0|2,0,0]=4 2777 B12R0.1 CCCOCCNCC(=O)NCC 34a_100161115042_100000183381 [1,1,0,0,0,0|2,0,0]=4 2778 B12R0.1 CCCOCCNCC(=O)OCC 2230a_100161115042_100000188475 [1,1,0,0,0,0|1,0,0]=3 2779 B12R0.1 CCCOCCNCC(=O)OCC 34a_100161115042_100000188475 [1,1,0,0,0,0|1,0,0]=3 2780 B12R0.1 CCCOCCOCC(=O)CCC 7a_100000752267_100000747444 [1,1,0,0,0,0|2,0,0]=4 2781 B12R0.1 CCCOCCOCC(=O)NCC 34a_100000752267_100000183381 [1,1,0,0,0,0|2,0,0]=4 2782 B12R0.1 CCCOCCOCC(=O)NCC 7a_100000752267_100000183381 [1,1,0,0,0,0|2,0,0]=4 2783 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000210258_100000088970 [1,1,0,0,0,0|1,0,0]=3 2784 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000752267_100000188475 [1,1,0,0,0,0|1,0,0]=3 2785 B12R0.1 CCCOCCOCC(=O)OCC 7a_100000752267_100000188475 [1,1,0,0,0,0|1,0,0]=3 2786 B12R0.1 CCCOCCSCC(=O)CCC 62a_100000747444_100011215938 [1,1,0,0,0,0|2,0,0]=4 2787 B12R0.1 CCCOCCSCC(=O)CCC 62a_100011215938_100000747444 [1,1,0,0,0,0|2,0,0]=4 2788 B12R0.1 CCCOCCSCC(=O)NCC 62a_100000183381_100011215938 [1,1,0,0,0,0|2,0,0]=4 2789 B12R0.1 CCCOCCSCC(=O)NCC 62a_100011215938_100000183381 [1,1,0,0,0,0|2,0,0]=4 2790 B12R0.1 CCCOCCSCC(=O)OCC 62a_100000188475_100011215938 [1,1,0,0,0,0|1,0,0]=3 2791 B12R0.1 CCCOCCSCC(=O)OCC 62a_100011215938_100000188475 [1,1,0,0,0,0|1,0,0]=3 2792 B12R0.1 CCCOCCSCC(=O)OCC 7a_200000230590_100000210303 [1,1,0,0,0,0|1,0,0]=3 2793 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000210303_100000750268 [1,1,0,0,0,0|0,0,0]=2 2794 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000750268_100000210303 [1,1,0,0,0,0|0,0,0]=2 2795 B12R0.1 CCCSCCNCC(=O)CCC 2230a_100020603323_100000747444 [1,1,0,0,0,0|2,0,0]=4 2796 B12R0.1 CCCSCCNCC(=O)NCC 2230a_100020603323_100000183381 [1,1,0,0,0,0|2,0,0]=4 2797 B12R0.1 CCCSCCNCC(=O)OCC 2230a_100020603323_100000188475 [1,1,0,0,0,0|1,0,0]=3 2798 B12R0.1 CCCSCCOCC(=O)CCC 7a_200000230433_100000747444 [1,1,0,0,0,0|2,0,0]=4 2799 B12R0.1 CCCSCCOCC(=O)NCC 34a_200000230433_100000183381 [1,1,0,0,0,0|2,0,0]=4 2800 B12R0.1 CCCSCCOCC(=O)NCC 7a_200000230433_100000183381 [1,1,0,0,0,0|2,0,0]=4 2801 B12R0.1 CCCSCCOCC(=O)OCC 34a_200000230433_100000188475 [1,1,0,0,0,0|1,0,0]=3 2802 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000088970_100000210303 [1,1,0,0,0,0|1,0,0]=3 2803 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000210303_100000088970 [1,1,0,0,0,0|1,0,0]=3 2804 B12R0.1 CCCSCCOCC(=O)OCC 7a_200000230433_100000188475 [1,1,0,0,0,0|1,0,0]=3 2805 B12R0.1 CCNC(=O)CCCCCCCO 240690a_100015525214_100011219782 [1,1,0,0,0,0|1,0,0]=3 2806 B12R0.1 CCNC(=O)CCNCCCCF 34a_100025743525_100000729493 [1,1,0,0,0,0|2,0,0]=4 2807 B12R0.1 CCNC(=O)CCNCCCCO 2230a_100000750430_100000737597 [1,1,0,0,0,0|2,0,0]=4 2808 B12R0.1 CCNC(=O)CCNCCCCO 34a_100025743525_100011216708 [1,1,0,0,0,0|2,0,0]=4 2809 B12R0.1 CCNC(=O)CCNCCCOC 34a_100025743525_100000740836 [1,1,0,0,0,0|2,0,0]=4 2810 B12R0.1 CCNC(=O)CCNCCCSC 2230a_100000749238_100000737597 [1,1,0,0,0,0|2,0,0]=4 2811 B12R0.1 CCNC(=O)CCNCCOCC 2230a_102516460346_100000737597 [1,1,0,0,0,0|2,0,0]=4 2812 B12R0.1 CCNC(=O)CCNCCOCC 34a_100025743525_100000210147 [1,1,0,0,0,0|2,0,0]=4 2813 B12R0.1 CCNC(=O)CCNCCSCC 2230a_100000106463_100000737597 [1,1,0,0,0,0|2,0,0]=4 2814 B12R0.1 CCNC(=O)CCNCCSCC 34a_100025743525_100000757381 [1,1,0,0,0,0|2,0,0]=4 2815 B12R0.1 CCNC(=O)CCOCCCCCl 7a_100000210776_100000737597 [1,1,0,0,0,0|2,0,0]=4 2816 B12R0.1 CCNC(=O)CCOCCCCF 7a_100011995726_100000737597 [1,1,0,0,0,0|2,0,0]=4 2817 B12R0.1 CCNC(=O)CCOCCCSC 7a_100000690336_100000737597 [1,1,0,0,0,0|2,0,0]=4 2818 B12R0.1 CCNC(=O)CCOCCOCC 7a_100000210136_100000737597 [1,1,0,0,0,0|2,0,0]=4 2819 B12R0.1 CCNC(=O)CCOCCSCC 7a_100000212035_100000737597 [1,1,0,0,0,0|2,0,0]=4 2820 B12R0.1 CCNC(=O)CCSCCCCF 62a_100000729493_100000737597 [1,1,0,0,0,0|2,0,0]=4 2821 B12R0.1 CCNC(=O)CCSCCCCF 62a_100000737597_100000729493 [1,1,0,0,0,0|2,0,0]=4 2822 B12R0.1 CCNC(=O)CCSCCCCO 62a_100000210776_100000737597 [1,1,0,0,0,0|2,0,0]=4 2823 B12R0.1 CCNC(=O)CCSCCCCO 62a_100000737597_100000210776 [1,1,0,0,0,0|2,0,0]=4 2824 B12R0.1 CCNC(=O)CCSCCCOC 62a_100000709357_100000737597 [1,1,0,0,0,0|2,0,0]=4 2825 B12R0.1 CCNC(=O)CCSCCCOC 62a_100000737597_100000709357 [1,1,0,0,0,0|2,0,0]=4 2826 B12R0.1 CCNC(=O)CCSCCOCC 62a_100000210147_100000737597 [1,1,0,0,0,0|2,0,0]=4 2827 B12R0.1 CCNC(=O)CCSCCOCC 62a_100000737597_100011215890 [1,1,0,0,0,0|2,0,0]=4 2828 B12R0.1 CCNC(=O)CCSCCSCC 62a_100000737597_100000757381 [1,1,0,0,0,0|2,0,0]=4 2829 B12R0.1 CCNC(=O)CCSCCSCC 62a_100000757381_100000737597 [1,1,0,0,0,0|2,0,0]=4 2830 B12R0.1 CCNC(=O)CNCCCCCF 2230a_100016988866_100000729378 [1,1,0,0,0,0|2,0,0]=4 2831 B12R0.1 CCNC(=O)CNCCCCCO 2230a_100000762737_100000183381 [1,1,0,0,0,0|2,0,0]=4 2832 B12R0.1 CCNC(=O)CNCCCCCO 2230a_100016988866_100000746330 [1,1,0,0,0,0|2,0,0]=4 2833 B12R0.1 CCNC(=O)CNCCCCCO 34a_100000762737_100000183381 [1,1,0,0,0,0|2,0,0]=4 2834 B12R0.1 CCNC(=O)CNCCCCOC 2230a_100016988866_100000730899 [1,1,0,0,0,0|2,0,0]=4 2835 B12R0.1 CCNC(=O)CNCCCOCC 2230a_100000210961_100000183381 [1,1,0,0,0,0|2,0,0]=4 2836 B12R0.1 CCNC(=O)CNCCCOCC 2230a_100016988866_100012232248 [1,1,0,0,0,0|2,0,0]=4 2837 B12R0.1 CCNC(=O)CNCCCOCC 34a_100000210961_100000183381 [1,1,0,0,0,0|2,0,0]=4 2838 B12R0.1 CCNC(=O)COCCCCCBr 34a_100000746331_100000183381 [1,1,0,0,0,0|2,0,0]=4 2839 B12R0.1 CCNC(=O)COCCCCCBr 7a_100000746331_100000183381 [1,1,0,0,0,0|2,0,0]=4 2840 B12R0.1 CCNC(=O)COCCCCCCl 34a_100000746330_100000183381 [1,1,0,0,0,0|2,0,0]=4 2841 B12R0.1 CCNC(=O)COCCCCCCl 7a_100000746330_100000183381 [1,1,0,0,0,0|2,0,0]=4 2842 B12R0.1 CCNC(=O)COCCCCCI 34a_200012148887_100000183381 [1,1,0,0,0,0|2,0,0]=4 2843 B12R0.1 CCNC(=O)COCCCCCI 7a_200012148887_100000183381 [1,1,0,0,0,0|2,0,0]=4 2844 B12R0.1 CCNC(=O)COCCCCCN 34a_100000762737_100000183381 [1,1,0,0,0,0|2,0,0]=4 2845 B12R0.1 CCNC(=O)COCCCCOC 34a_100000740925_100000183381 [1,1,0,0,0,0|2,0,0]=4 2846 B12R0.1 CCNC(=O)COCCCCSC 34a_100011217163_100000183381 [1,1,0,0,0,0|2,0,0]=4 2847 B12R0.1 CCNC(=O)COCCCCSC 7a_100011217163_100000183381 [1,1,0,0,0,0|2,0,0]=4 2848 B12R0.1 CCNC(=O)COCCCOCC 34a_100000757476_100000183381 [1,1,0,0,0,0|2,0,0]=4 2849 B12R0.1 CCNC(=O)COCCCOCC 7a_100000757476_100000183381 [1,1,0,0,0,0|2,0,0]=4 2850 B12R0.1 CCNC(=O)COCCCSCC 34a_100011216438_100000183381 [1,1,0,0,0,0|2,0,0]=4 2851 B12R0.1 CCNC(=O)COCCCSCC 7a_100011216438_100000183381 [1,1,0,0,0,0|2,0,0]=4 2852 B12R0.1 CCNC(=O)CSCCCCCF 62a_100000183381_100000729378 [1,1,0,0,0,0|2,0,0]=4 2853 B12R0.1 CCNC(=O)CSCCCCCF 62a_100000729378_100000183381 [1,1,0,0,0,0|2,0,0]=4 2854 B12R0.1 CCNC(=O)CSCCCCCO 62a_100000183381_100000746330 [1,1,0,0,0,0|2,0,0]=4 2855 B12R0.1 CCNC(=O)CSCCCCCO 62a_100000746330_100000183381 [1,1,0,0,0,0|2,0,0]=4 2856 B12R0.1 CCNC(=O)CSCCCCOC 62a_100000183381_100000730899 [1,1,0,0,0,0|2,0,0]=4 2857 B12R0.1 CCNC(=O)CSCCCCOC 62a_100000730899_100000183381 [1,1,0,0,0,0|2,0,0]=4 2858 B12R0.1 CCNC(=O)CSCCCOCC 62a_100000183381_100012232248 [1,1,0,0,0,0|2,0,0]=4 2859 B12R0.1 CCNC(=O)CSCCCOCC 62a_100012232248_100000183381 [1,1,0,0,0,0|2,0,0]=4 2860 B12R0.1 CCNC(=O)NCCCCCCO 2708a_100015525214_100000686447 [1,1,0,0,0,0|2,0,0]=4 2861 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100000686447_100015525214 [1,1,0,0,0,0|2,0,0]=4 2862 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100015525214_100000686447 [1,1,0,0,0,0|2,0,0]=4 2863 B12R0.1 CCNC(=O)NCCCCCCO 512a_100000686447_100015525214 [1,1,0,0,0,0|2,0,0]=4 2864 B12R0.1 CCNC(=O)NCCCCCCO 512a_100015525214_100000686447 [1,1,0,0,0,0|2,0,0]=4 2865 B12R0.1 CCNC(=O)NCCCCCOC 2708a_100000747528_100015525214 [1,1,0,0,0,0|2,0,0]=4 2866 B12R0.1 CCNC(=O)NCCCCCOC 2708a_100015525214_100000747528 [1,1,0,0,0,0|2,0,0]=4 2867 B12R0.1 CCNC(=O)NCCCCCOC 273464a_100000747528_100015525214 [1,1,0,0,0,0|2,0,0]=4 2868 B12R0.1 CCNC(=O)NCCCCCOC 273464a_100015525214_100000747528 [1,1,0,0,0,0|2,0,0]=4 2869 B12R0.1 CCNC(=O)NCCCCCOC 512a_100000747528_100015525214 [1,1,0,0,0,0|2,0,0]=4 2870 B12R0.1 CCNC(=O)NCCCCCOC 512a_100015525214_100000747528 [1,1,0,0,0,0|2,0,0]=4 2871 B12R0.1 CCNCCCCCC(=O)OCC 2230a_100015525214_100000755133 [1,1,0,0,0,0|0,0,0]=2 2872 B12R0.1 CCNCCCOCC(=O)OCC 2230a_100015525214_100009893628 [1,1,0,0,0,0|1,0,0]=3 2873 B12R0.1 CCOC(=O)CCCCCCNC 2230a_106832991635_100009814379 [1,1,0,0,0,0|0,0,0]=2 2874 B12R0.1 CCOC(=O)CCCCCCNC 34a_100102657272_100009814379 [1,1,0,0,0,0|0,0,0]=2 2875 B12R0.1 CCOC(=O)CCCCCCNC 7a_106832991635_100009814379 [1,1,0,0,0,0|0,0,0]=2 2876 B12R0.1 CCOC(=O)CCCCCCOC 34a_100138415774_100009814379 [1,1,0,0,0,0|0,0,0]=2 2877 B12R0.1 CCOC(=O)CCCCCCSC 62a_200000210301_100009814379 [1,1,0,0,0,0|0,0,0]=2 2878 B12R0.1 CCOC(=O)CCCCCCS[13CH3] 62a_200025704644_100009814379 [1,1,0,0,0,0|0,0,0]=2 2879 B12R0.1 CCOC(=O)CCCCCOCF 7a_100011214988_100015361967 [1,1,0,0,0,0|1,0,0]=3 2880 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000210202_100000755133 [1,1,0,0,0,0|0,0,0]=2 2881 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000755133_100000210202 [1,1,0,0,0,0|0,0,0]=2 2882 B12R0.1 CCOC(=O)CCCCCSCF 62a_100000755133_100015361967 [1,1,0,0,0,0|1,0,0]=3 2883 B12R0.1 CCOC(=O)CCCCCSCF 62a_100015361967_100000755133 [1,1,0,0,0,0|1,0,0]=3 2884 B12R0.1 CCOC(=O)CCCCNCCF 34a_100000724931_100000750268 [1,1,0,0,0,0|1,0,0]=3 2885 B12R0.1 CCOC(=O)CCCCNCCO 2230a_100016997473_100000750268 [1,1,0,0,0,0|1,0,0]=3 2886 B12R0.1 CCOC(=O)CCCCNCCO 34a_100016990907_100000750268 [1,1,0,0,0,0|1,0,0]=3 2887 B12R0.1 CCOC(=O)CCCCOCCBr 34a_100000211926_100000750268 [1,1,0,0,0,0|1,0,0]=3 2888 B12R0.1 CCOC(=O)CCCCOCCN 34a_100000210304_100000750268 [1,1,0,0,0,0|1,0,0]=3 2889 B12R0.1 CCOC(=O)CCCCSCC#N 62a_100000750268_100011215382 [1,1,0,0,0,0|1,0,1]=4 2890 B12R0.1 CCOC(=O)CCCCSCC#N 62a_100011215382_100000750268 [1,1,0,0,0,0|1,0,1]=4 2891 B12R0.1 CCOC(=O)CCCCSCC=O 62a_100000750268_200015260668 [1,1,0,0,0,0|1,0,1]=4 2892 B12R0.1 CCOC(=O)CCCCSCC=O 62a_200015260668_100000750268 [1,1,0,0,0,0|1,0,1]=4 2893 B12R0.1 CCOC(=O)CCCCSCCF 62a_100000750268_100011217306 [1,1,0,0,0,0|1,0,0]=3 2894 B12R0.1 CCOC(=O)CCCCSCCF 62a_100011217306_100000750268 [1,1,0,0,0,0|1,0,0]=3 2895 B12R0.1 CCOC(=O)CCCCSCCO 62a_100000211926_100000750268 [1,1,0,0,0,0|1,0,0]=3 2896 B12R0.1 CCOC(=O)CCCCSCCO 62a_100000750268_100000211926 [1,1,0,0,0,0|1,0,0]=3 2897 B12R0.1 CCOC(=O)CCCCSCOC 62a_100000750268_100000766300 [1,1,0,0,0,0|1,0,0]=3 2898 B12R0.1 CCOC(=O)CCCCSCOC 62a_100000766300_100000750268 [1,1,0,0,0,0|1,0,0]=3 2899 B12R0.1 CCOC(=O)CCCCSCSC 62a_100000750268_100011218213 [1,1,0,0,0,0|1,0,0]=3 2900 B12R0.1 CCOC(=O)CCCCSCSC 62a_100011218213_100000750268 [1,1,0,0,0,0|1,0,0]=3 2901 B12R0.1 CCOC(=O)CCCNCCCF 2230a_100015189416_100009991533 [1,1,0,0,0,0|1,0,0]=3 2902 B12R0.1 CCOC(=O)CCCNCCCF 34a_100015189416_100009991533 [1,1,0,0,0,0|1,0,0]=3 2903 B12R0.1 CCOC(=O)CCCNCCOC 2230a_100000209980_100009991533 [1,1,0,0,0,0|1,0,0]=3 2904 B12R0.1 CCOC(=O)CCCNCCSC 2230a_100020590264_100009991533 [1,1,0,0,0,0|1,0,0]=3 2905 B12R0.1 CCOC(=O)CCCOCCC#N 7a_100012001163_100000184422 [1,1,0,0,0,0|1,0,1]=4 2906 B12R0.1 CCOC(=O)CCCOCCCBr 34a_100011217188_100009991533 [1,1,0,0,0,0|1,0,0]=3 2907 B12R0.1 CCOC(=O)CCCOCCCCl 34a_100000230001_100009991533 [1,1,0,0,0,0|1,0,0]=3 2908 B12R0.1 CCOC(=O)CCCOCCCF 34a_100000759539_100009991533 [1,1,0,0,0,0|1,0,0]=3 2909 B12R0.1 CCOC(=O)CCCOCCCF 7a_100012001163_100011934791 [1,1,0,0,0,0|1,0,0]=3 2910 B12R0.1 CCOC(=O)CCCOCCCN 34a_100000182051_100009991533 [1,1,0,0,0,0|1,0,0]=3 2911 B12R0.1 CCOC(=O)CCCOCCCO 7a_100012001163_100011215043 [1,1,0,0,0,0|1,0,0]=3 2912 B12R0.1 CCOC(=O)CCCOCCOC 34a_100000210237_100009991533 [1,1,0,0,0,0|1,0,0]=3 2913 B12R0.1 CCOC(=O)CCCOCCOC 7a_100012001163_100000233755 [1,1,0,0,0,0|1,0,0]=3 2914 B12R0.1 CCOC(=O)CCCOCCON 34a_100000700252_100009991533 [1,1,0,0,0,0|2,0,0]=4 2915 B12R0.1 CCOC(=O)CCCOCCSC 34a_100000230434_100009991533 [1,1,0,0,0,0|1,0,0]=3 2916 B12R0.1 CCOC(=O)CCCOCCSC 7a_100000230434_100011215271 [1,1,0,0,0,0|1,0,0]=3 2917 B12R0.1 CCOC(=O)CCCOCCSC 7a_100012001163_100000212216 [1,1,0,0,0,0|1,0,0]=3 2918 B12R0.1 CCOC(=O)CCCSCCC#N 62a_100009991533_100011215226 [1,1,0,0,0,0|1,0,1]=4 2919 B12R0.1 CCOC(=O)CCCSCCC#N 62a_100011215226_100009991533 [1,1,0,0,0,0|1,0,1]=4 2920 B12R0.1 CCOC(=O)CCCSCCCF 62a_100009991533_100011934791 [1,1,0,0,0,0|1,0,0]=3 2921 B12R0.1 CCOC(=O)CCCSCCCF 62a_100011934791_100009991533 [1,1,0,0,0,0|1,0,0]=3 2922 B12R0.1 CCOC(=O)CCCSCCCO 62a_100009991533_100011215043 [1,1,0,0,0,0|1,0,0]=3 2923 B12R0.1 CCOC(=O)CCCSCCCO 62a_100011215043_100009991533 [1,1,0,0,0,0|1,0,0]=3 2924 B12R0.1 CCOC(=O)CCCSCCOC 62a_100000233755_100009991533 [1,1,0,0,0,0|1,0,0]=3 2925 B12R0.1 CCOC(=O)CCCSCCOC 62a_100009991533_100000233755 [1,1,0,0,0,0|1,0,0]=3 2926 B12R0.1 CCOC(=O)CCCSCCSC 62a_100000212216_100009991533 [1,1,0,0,0,0|1,0,0]=3 2927 B12R0.1 CCOC(=O)CCCSCCSC 62a_100009991533_100000751147 [1,1,0,0,0,0|1,0,0]=3 2928 B12R0.1 CCOC(=O)CCNCCCCO 2230a_100000750430_100011206558 [1,1,0,0,0,0|1,0,0]=3 2929 B12R0.1 CCOC(=O)CCNCCCCO 34a_100000750430_100000765890 [1,1,0,0,0,0|1,0,0]=3 2930 B12R0.1 CCOC(=O)CCNCCCOC 34a_100150723488_100000765890 [1,1,0,0,0,0|1,0,0]=3 2931 B12R0.1 CCOC(=O)CCNCCCSC 2230a_100000749238_100011206558 [1,1,0,0,0,0|1,0,0]=3 2932 B12R0.1 CCOC(=O)CCNCCSCC 2230a_100000106463_100011206558 [1,1,0,0,0,0|1,0,0]=3 2933 B12R0.1 CCOC(=O)CCOCCCCBr 34a_100011216708_100000765890 [1,1,0,0,0,0|1,0,0]=3 2934 B12R0.1 CCOC(=O)CCOCCCCCl 34a_100000210776_100000765890 [1,1,0,0,0,0|1,0,0]=3 2935 B12R0.1 CCOC(=O)CCOCCCCCl 7a_100000210776_100011206558 [1,1,0,0,0,0|1,0,0]=3 2936 B12R0.1 CCOC(=O)CCOCCCCF 34a_100011995726_100000765890 [1,1,0,0,0,0|1,0,0]=3 2937 B12R0.1 CCOC(=O)CCOCCCCF 7a_100011995726_100011206558 [1,1,0,0,0,0|1,0,0]=3 2938 B12R0.1 CCOC(=O)CCOCCCCI 34a_200012148704_100000765890 [1,1,0,0,0,0|1,0,0]=3 2939 B12R0.1 CCOC(=O)CCOCCCCN 34a_100000750430_100000765890 [1,1,0,0,0,0|1,0,0]=3 2940 B12R0.1 CCOC(=O)CCOCCCNC 34a_100000213112_100000765890 [1,1,0,0,0,0|1,0,0]=3 2941 B12R0.1 CCOC(=O)CCOCCCOC 34a_100000740835_100000765890 [1,1,0,0,0,0|1,0,0]=3 2942 B12R0.1 CCOC(=O)CCOCCCSC 34a_100000690336_100000765890 [1,1,0,0,0,0|1,0,0]=3 2943 B12R0.1 CCOC(=O)CCOCCCSC 7a_100000690336_100011206558 [1,1,0,0,0,0|1,0,0]=3 2944 B12R0.1 CCOC(=O)CCOCCSCC 34a_100000212035_100000765890 [1,1,0,0,0,0|1,0,0]=3 2945 B12R0.1 CCOC(=O)CCOCCSCC 7a_100000212035_100011206558 [1,1,0,0,0,0|1,0,0]=3 2946 B12R0.1 CCOC(=O)CCSCCCC#N 62a_100000687738_100000765890 [1,1,0,0,0,0|1,0,1]=4 2947 B12R0.1 CCOC(=O)CCSCCCC#N 62a_100000765890_100000687738 [1,1,0,0,0,0|1,0,1]=4 2948 B12R0.1 CCOC(=O)CCSCCCC=O 62a_100000765890_200011292268 [1,1,0,0,0,0|1,0,1]=4 2949 B12R0.1 CCOC(=O)CCSCCCC=O 62a_200011292268_100000765890 [1,1,0,0,0,0|1,0,1]=4 2950 B12R0.1 CCOC(=O)CCSCCCCF 62a_100000729493_100000765890 [1,1,0,0,0,0|1,0,0]=3 2951 B12R0.1 CCOC(=O)CCSCCCCF 62a_100000765890_100000729493 [1,1,0,0,0,0|1,0,0]=3 2952 B12R0.1 CCOC(=O)CCSCCCCO 62a_100000210776_100000765890 [1,1,0,0,0,0|1,0,0]=3 2953 B12R0.1 CCOC(=O)CCSCCCCO 62a_100000765890_100000210776 [1,1,0,0,0,0|1,0,0]=3 2954 B12R0.1 CCOC(=O)CCSCCCOC 62a_100000709357_100000765890 [1,1,0,0,0,0|1,0,0]=3 2955 B12R0.1 CCOC(=O)CCSCCCOC 62a_100000765890_100000709357 [1,1,0,0,0,0|1,0,0]=3 2956 B12R0.1 CCOC(=O)CCSCCSCC 62a_100000757381_100000765890 [1,1,0,0,0,0|1,0,0]=3 2957 B12R0.1 CCOC(=O)CCSCCSCC 62a_100000765890_100000757381 [1,1,0,0,0,0|1,0,0]=3 2958 B12R0.1 CCOC(=O)CNCCCCCO 2230a_100000762737_100000188475 [1,1,0,0,0,0|1,0,0]=3 2959 B12R0.1 CCOC(=O)CNCCCCCO 34a_100000762737_100000188475 [1,1,0,0,0,0|1,0,0]=3 2960 B12R0.1 CCOC(=O)CNCCOCCO 2230a_100000211614_100000188475 [1,1,0,0,0,0|2,0,0]=4 2961 B12R0.1 CCOC(=O)CNCCOCCO 34a_100000211614_100000188475 [1,1,0,0,0,0|2,0,0]=4 2962 B12R0.1 CCOC(=O)CNCCSCCO 2230a_100011219999_100000188475 [1,1,0,0,0,0|2,0,0]=4 2963 B12R0.1 CCOC(=O)COCCCCCBr 34a_100000746331_100000188475 [1,1,0,0,0,0|1,0,0]=3 2964 B12R0.1 CCOC(=O)COCCCCCBr 7a_100000746331_100000188475 [1,1,0,0,0,0|1,0,0]=3 2965 B12R0.1 CCOC(=O)COCCCCCCl 34a_100000746330_100000188475 [1,1,0,0,0,0|1,0,0]=3 2966 B12R0.1 CCOC(=O)COCCCCCCl 7a_100000746330_100000188475 [1,1,0,0,0,0|1,0,0]=3 2967 B12R0.1 CCOC(=O)COCCCCCI 34a_200012148887_100000188475 [1,1,0,0,0,0|1,0,0]=3 2968 B12R0.1 CCOC(=O)COCCCCCI 7a_200012148887_100000188475 [1,1,0,0,0,0|1,0,0]=3 2969 B12R0.1 CCOC(=O)COCCCCCN 34a_100000762737_100000188475 [1,1,0,0,0,0|1,0,0]=3 2970 B12R0.1 CCOC(=O)COCCCCOC 34a_100000740925_100000188475 [1,1,0,0,0,0|1,0,0]=3 2971 B12R0.1 CCOC(=O)COCCCCSC 34a_100011217163_100000188475 [1,1,0,0,0,0|1,0,0]=3 2972 B12R0.1 CCOC(=O)COCCCCSC 7a_100011217163_100000188475 [1,1,0,0,0,0|1,0,0]=3 2973 B12R0.1 CCOC(=O)COCCCSCC 34a_100011216438_100000188475 [1,1,0,0,0,0|1,0,0]=3 2974 B12R0.1 CCOC(=O)COCCCSCC 62a_100000210202_100009893628 [1,1,0,0,0,0|1,0,0]=3 2975 B12R0.1 CCOC(=O)COCCCSCC 62a_100009893628_100000210202 [1,1,0,0,0,0|1,0,0]=3 2976 B12R0.1 CCOC(=O)COCCCSCC 7a_100011216438_100000188475 [1,1,0,0,0,0|1,0,0]=3 2977 B12R0.1 CCOC(=O)COCCCSCF 62a_100009893628_100015361967 [1,1,0,0,0,0|2,0,0]=4 2978 B12R0.1 CCOC(=O)COCCCSCF 62a_100015361967_100009893628 [1,1,0,0,0,0|2,0,0]=4 2979 B12R0.1 CCOC(=O)COCCNCCF 34a_100000724931_100000088970 [1,1,0,0,0,0|2,0,0]=4 2980 B12R0.1 CCOC(=O)COCCNCCO 2230a_100016997473_100000088970 [1,1,0,0,0,0|2,0,0]=4 2981 B12R0.1 CCOC(=O)COCCNCCO 34a_100016990907_100000088970 [1,1,0,0,0,0|2,0,0]=4 2982 B12R0.1 CCOC(=O)COCCOCCBr 34a_100000211926_100000088970 [1,1,0,0,0,0|2,0,0]=4 2983 B12R0.1 CCOC(=O)COCCOCCBr 34a_100000692535_100000188475 [1,1,0,0,0,0|2,0,0]=4 2984 B12R0.1 CCOC(=O)COCCOCCBr 7a_100000692535_100000188475 [1,1,0,0,0,0|2,0,0]=4 2985 B12R0.1 CCOC(=O)COCCOCCCl 34a_100011215305_100000188475 [1,1,0,0,0,0|2,0,0]=4 2986 B12R0.1 CCOC(=O)COCCOCCCl 7a_100011215305_100000188475 [1,1,0,0,0,0|2,0,0]=4 2987 B12R0.1 CCOC(=O)COCCOCCF 34a_200015357709_100000188475 [1,1,0,0,0,0|2,0,0]=4 2988 B12R0.1 CCOC(=O)COCCOCCF 7a_200015357709_100000188475 [1,1,0,0,0,0|2,0,0]=4 2989 B12R0.1 CCOC(=O)COCCOCCI 34a_100012149058_100000188475 [1,1,0,0,0,0|2,0,0]=4 2990 B12R0.1 CCOC(=O)COCCOCCI 7a_100012149058_100000188475 [1,1,0,0,0,0|2,0,0]=4 2991 B12R0.1 CCOC(=O)COCCOCCN 34a_100000210304_100000088970 [1,1,0,0,0,0|2,0,0]=4 2992 B12R0.1 CCOC(=O)COCCOCCN 34a_100000211614_100000188475 [1,1,0,0,0,0|2,0,0]=4 2993 B12R0.1 CCOC(=O)COCCSCCF 62a_100000088970_100011217306 [1,1,0,0,0,0|2,0,0]=4 2994 B12R0.1 CCOC(=O)COCCSCCF 62a_100011217306_100000088970 [1,1,0,0,0,0|2,0,0]=4 2995 B12R0.1 CCOC(=O)COCCSCCO 62a_100000088970_100000211926 [1,1,0,0,0,0|2,0,0]=4 2996 B12R0.1 CCOC(=O)COCCSCCO 62a_100000211926_100000088970 [1,1,0,0,0,0|2,0,0]=4 2997 B12R0.1 CCOC(=O)COCCSCOC 62a_100000088970_100000766300 [1,1,0,0,0,0|2,0,0]=4 2998 B12R0.1 CCOC(=O)COCCSCOC 62a_100000766300_100000088970 [1,1,0,0,0,0|2,0,0]=4 2999 B12R0.1 CCOC(=O)COCCSCSC 62a_100000088970_100011218213 [1,1,0,0,0,0|2,0,0]=4 3000 B12R0.1 CCOC(=O)COCCSCSC 62a_100011218213_100000088970 [1,1,0,0,0,0|2,0,0]=4 3001 B12R0.1 CCOC(=O)CSCCCCC#N 62a_100000188475_100000211819 [1,1,0,0,0,0|1,0,1]=4 3002 B12R0.1 CCOC(=O)CSCCCCC#N 62a_100011219923_100000188475 [1,1,0,0,0,0|1,0,1]=4 3003 B12R0.1 CCOC(=O)CSCCCCC=O 62a_100000139335_100000188475 [1,1,0,0,0,0|1,0,1]=4 3004 B12R0.1 CCOC(=O)CSCCCCC=O 62a_100000188475_100000139335 [1,1,0,0,0,0|1,0,1]=4 3005 B12R0.1 CCOC(=O)CSCCCCCF 62a_100000188475_100000729378 [1,1,0,0,0,0|1,0,0]=3 3006 B12R0.1 CCOC(=O)CSCCCCCF 62a_100000729378_100000188475 [1,1,0,0,0,0|1,0,0]=3 3007 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000188475_100000746330 [1,1,0,0,0,0|1,0,0]=3 3008 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000746330_100000188475 [1,1,0,0,0,0|1,0,0]=3 3009 B12R0.1 CCOC(=O)CSCCCCOC 62a_100000188475_100000730899 [1,1,0,0,0,0|1,0,0]=3 3010 B12R0.1 CCOC(=O)CSCCCCOC 62a_100000730899_100000188475 [1,1,0,0,0,0|1,0,0]=3 3011 B12R0.1 CCOC(=O)CSCCOCCF 7a_200000230590_100011217306 [1,1,0,0,0,0|2,0,0]=4 3012 B12R0.1 CCOC(=O)CSCCOCCO 62a_100000188475_100011215305 [1,1,0,0,0,0|2,0,0]=4 3013 B12R0.1 CCOC(=O)CSCCOCCO 62a_100011215305_100000188475 [1,1,0,0,0,0|2,0,0]=4 3014 B12R0.1 CCOC(=O)CSCCOCCO 7a_200000230590_100000211926 [1,1,0,0,0,0|2,0,0]=4 3015 B12R0.1 CCOC(=O)CSCOCCOC 62a_100000188475_100000231047 [1,1,0,0,0,0|2,0,0]=4 3016 B12R0.1 CCOC(=O)CSCOCCOC 62a_100000231047_100000188475 [1,1,0,0,0,0|2,0,0]=4 3017 B12R0.1 CCOC(=O)NCCOCCCF 34a_100000158857_100011934791 [1,1,0,0,0,0|2,0,0]=4 3018 B12R0.1 CCOC(=O)NCCOCCCO 34a_100000158857_100000230001 [1,1,0,0,0,0|2,0,0]=4 3019 B12R0.1 CCOC(=O)NCCOCCOC 34a_100000158857_100011201679 [1,1,0,0,0,0|2,0,0]=4 3020 B12R0.1 CCOC(=O)NCCOCCSC 34a_100000158857_100000212216 [1,1,0,0,0,0|2,0,0]=4 3021 B12R0.1 CCOC(=O)NCCOCCSC 7a_100000230434_200011445536 [1,1,0,0,0,0|2,0,0]=4 3022 B12R0.1 CCOC(=O)NCCSCCCF 62a_100011934791_200011445536 [1,1,0,0,0,0|2,0,0]=4 3023 B12R0.1 CCOC(=O)NCCSCCCO 62a_100011215043_200011445536 [1,1,0,0,0,0|2,0,0]=4 3024 B12R0.1 CCOC(=O)NCCSCCOC 62a_100000233755_200011445536 [1,1,0,0,0,0|2,0,0]=4 3025 B12R0.1 CCOC(=O)NCCSCCSC 62a_100000212216_200011445536 [1,1,0,0,0,0|2,0,0]=4 3026 B12R0.1 CCOC(=O)OCSCCCCF 62a_100000729493_100000075025 [1,1,0,0,0,0|2,0,0]=4 3027 B12R0.1 CCOC(=O)OCSCCCCO 62a_100000210776_100000075025 [1,1,0,0,0,0|2,0,0]=4 3028 B12R0.1 CCOC(=O)OCSCCCOC 62a_100000709357_100000075025 [1,1,0,0,0,0|2,0,0]=4 3029 B12R0.1 CCOC(=O)OCSCCSCC 62a_100000757381_100000075025 [1,1,0,0,0,0|2,0,0]=4 3030 B12R0.1 CCOCCCCCC(=O)OCC 34a_100121572206_100000755133 [1,1,0,0,0,0|0,0,0]=2 3031 B12R0.1 CCOCCCCCC(=O)OCC 7a_100011214988_100000210202 [1,1,0,0,0,0|0,0,0]=2 3032 B12R0.1 CCOCCCNCC(=O)OCC 2230a_100000210961_100000188475 [1,1,0,0,0,0|1,0,0]=3 3033 B12R0.1 CCOCCCNCC(=O)OCC 34a_100000210961_100000188475 [1,1,0,0,0,0|1,0,0]=3 3034 B12R0.1 CCOCCCOCC(=O)OCC 34a_100000757476_100000188475 [1,1,0,0,0,0|1,0,0]=3 3035 B12R0.1 CCOCCCOCC(=O)OCC 34a_100121572206_100009893628 [1,1,0,0,0,0|1,0,0]=3 3036 B12R0.1 CCOCCCOCC(=O)OCC 7a_100000757476_100000188475 [1,1,0,0,0,0|1,0,0]=3 3037 B12R0.1 CCOCCCSCC(=O)OCC 62a_100000188475_100012232248 [1,1,0,0,0,0|1,0,0]=3 3038 B12R0.1 CCOCCCSCC(=O)OCC 62a_100012232248_100000188475 [1,1,0,0,0,0|1,0,0]=3 3039 B12R0.1 CCOCCNCCC(=O)OCC 2230a_102516460346_100011206558 [1,1,0,0,0,0|1,0,0]=3 3040 B12R0.1 CCOCCNCCC(=O)OCC 34a_102516460346_100000765890 [1,1,0,0,0,0|1,0,0]=3 3041 B12R0.1 CCOCCOCCC(=O)OCC 34a_100000210136_100000765890 [1,1,0,0,0,0|1,0,0]=3 3042 B12R0.1 CCOCCOCCC(=O)OCC 7a_100000210136_100011206558 [1,1,0,0,0,0|1,0,0]=3 3043 B12R0.1 CCOCCSCCC(=O)OCC 62a_100000210147_100000765890 [1,1,0,0,0,0|1,0,0]=3 3044 B12R0.1 CCOCCSCCC(=O)OCC 62a_100000765890_100011215890 [1,1,0,0,0,0|1,0,0]=3 3045 B12R0.1 CCOCCSCOC(=O)OCC 62a_100000210147_100000075025 [1,1,0,0,0,0|2,0,0]=4 3046 B12R0.1 CCOCSCCCC(=O)OCC 62a_100000739092_100009991533 [1,1,0,0,0,0|1,0,0]=3 3047 B12R0.1 CCOCSCCCC(=O)OCC 62a_100009991533_100000739092 [1,1,0,0,0,0|1,0,0]=3 3048 B12R0.1 CCOCSCCNC(=O)OCC 62a_100000739092_200011445536 [1,1,0,0,0,0|2,0,0]=4 3049 B12R0.1 CNNC(=O)CCCCCCCO 22a_100016993582_100011219782 [1,1,0,0,0,0|2,0,0]=4 3050 B12R0.1 COCC(=O)CCCCCCCO 1458a_100000210968_100000760002 [1,1,0,0,0,0|2,0,0]=4 3051 B12R0.1 COCCCCCCC(=O)CCO 1458a_100011216618_100011998445 [1,1,0,0,0,0|2,0,0]=4 3052 B12R0.1 COCCCCCCC(=O)COC 1458a_100000210968_100011998445 [1,1,0,0,0,0|2,0,0]=4 3053 B12R0.1 COCCCCCCC(=O)CSC 1458a_100000184570_100011998445 [1,1,0,0,0,0|2,0,0]=4 3054 B12R0.1 CSCC(=O)CCCCCCCO 1458a_100000184570_100000760002 [1,1,0,0,0,0|2,0,0]=4 3055 B12R0.1 O=C(CCF)CCCCCCCO 1458a_100011219782_100011217306 [1,1,0,0,0,0|2,0,0]=4 3056 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011216618_100000760002 [1,1,0,0,0,0|2,0,0]=4 3057 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011219782_100000211926 [1,1,0,0,0,0|2,0,0]=4 3058 B12R0.4 C=C(C)CC(=O)CCCCCCC 1458a_100000211969_100000748629 [1,1,0,0,0,0|1,0,1]=4 3059 B12R0.4 CC(C)CC(=O)CCCCCCF 1458a_100000210554_100015922095 [1,1,0,0,0,0|2,0,0]=4 3060 B12R0.4 CC(C)CC(=O)CCCCCCO 1458a_100000210554_100000766143 [1,1,0,0,0,0|2,0,0]=4 3061 B12R0.4 CC(C)CC(=O)CCCCCCO 1458a_100011996774_100000210624 [1,1,0,0,0,0|2,0,0]=4 3062 B12R0.4 CC(C)NC(=O)CCCCCCO 240690a_100138425928_100011996774 [1,1,0,0,0,0|2,0,0]=4 3063 B12R0.4 CC(C)OC(=O)CCCCCS[13CH3] 62a_200010986244_200025704644 [1,1,0,0,0,0|1,0,0]=3 3064 B12R0.4 CC(C)OC(=O)CCCCCS[13CH3] 62a_200025704644_200010986244 [1,1,0,0,0,0|1,0,0]=3 3065 B12R0.4 CC(C)OC(=O)CCNCCCF 2230a_100015189416_100000760027 [1,1,0,0,0,0|2,0,0]=4 3066 B12R0.4 CC(C)OC(=O)CCSCCCF 62a_100000760027_100011934791 [1,1,0,0,0,0|2,0,0]=4 3067 B12R0.4 CC(C)OC(=O)CCSCCCF 62a_100011934791_100000760027 [1,1,0,0,0,0|2,0,0]=4 3068 B12R0.4 CC(C)OC(=O)CCSCCCO 62a_100000760027_100011215043 [1,1,0,0,0,0|2,0,0]=4 3069 B12R0.4 CC(C)OC(=O)CCSCCCO 62a_100011215043_100000760027 [1,1,0,0,0,0|2,0,0]=4 3070 B12R0.4 CC(C)OC(=O)CNCCCCO 2230a_100000750430_100011215430 [1,1,0,0,0,0|2,0,0]=4 3071 B12R0.4 CC(C)OC(=O)CNCCCCO 34a_100000750430_100011215430 [1,1,0,0,0,0|2,0,0]=4 3072 B12R0.4 CC(C)OC(=O)COCCCCBr 34a_100011216708_100011215430 [1,1,0,0,0,0|2,0,0]=4 3073 B12R0.4 CC(C)OC(=O)COCCCCCl 34a_100000210776_100011215430 [1,1,0,0,0,0|2,0,0]=4 3074 B12R0.4 CC(C)OC(=O)COCCCCCl 7a_100000210776_100011215430 [1,1,0,0,0,0|2,0,0]=4 3075 B12R0.4 CC(C)OC(=O)COCCCCF 34a_100011995726_100011215430 [1,1,0,0,0,0|2,0,0]=4 3076 B12R0.4 CC(C)OC(=O)COCCCCF 7a_100011995726_100011215430 [1,1,0,0,0,0|2,0,0]=4 3077 B12R0.4 CC(C)OC(=O)COCCCCI 34a_200012148704_100011215430 [1,1,0,0,0,0|2,0,0]=4 3078 B12R0.4 CC(C)OC(=O)COCCCCN 34a_100000750430_100011215430 [1,1,0,0,0,0|2,0,0]=4 3079 B12R0.4 CC(C)OC(=O)CSCCCCF 62a_100000729493_100011215430 [1,1,0,0,0,0|2,0,0]=4 3080 B12R0.4 CC(C)OC(=O)CSCCCCF 62a_100011215430_100000729493 [1,1,0,0,0,0|2,0,0]=4 3081 B12R0.4 CC(C)OC(=O)CSCCCCO 62a_100000210776_100011215430 [1,1,0,0,0,0|2,0,0]=4 3082 B12R0.4 CC(C)OC(=O)CSCCCCO 62a_100011215430_100000210776 [1,1,0,0,0,0|2,0,0]=4 3083 B12R0.4 CC(O)CC(=O)CCCCCCO 1458a_100011996774_100011218427 [1,1,0,0,0,0|2,0,0]=4 3084 B12R0.4 CCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210614 [1,1,0,0,0,0|1,0,1]=4 3085 B12R0.4 CCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210614 [1,1,0,0,0,0|1,0,1]=4 3086 B12R0.4 CCCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210614 [1,1,0,0,0,0|1,0,1]=4 3087 B12R0.4 CCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210614 [1,1,0,0,0,0|1,0,0]=3 3088 B12R0.4 CCCCCCCC(=O)CC(C)C 1458a_100000211969_100000210624 [1,1,0,0,0,0|1,0,0]=3 3089 B12R0.4 CCCCCCCC(=O)CC(C)O 1458a_100000211969_100011218427 [1,1,0,0,0,0|1,0,0]=3 3090 B12R0.4 CCCCCCCC(=O)CC(F)F 1458a_100000211969_100011934356 [1,1,0,0,0,0|2,0,0]=4 3091 B12R0.4 CCCCCCCC(=O)CN(C)C 1458a_100000750896_100000210614 [1,1,0,0,0,0|2,0,0]=4 3092 B12R0.4 CCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210614 [1,1,0,0,0,0|1,0,0]=3 3093 B12R0.4 CCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210614 [1,1,0,0,0,0|2,0,0]=4 3094 B12R0.4 CCCCCCCC(=O)NC(C)C 11a_100138425928_100000211969 [1,1,0,0,0,0|1,0,0]=3 3095 B12R0.4 CCCCCCCC(=O)NC(C)C 1626a_100138425928_100000211969 [1,1,0,0,0,0|1,0,0]=3 3096 B12R0.4 CCCCCCCC(=O)NC(C)C 240690a_100138425928_100000211969 [1,1,0,0,0,0|1,0,0]=3 3097 B12R0.4 CCCCCCCC(=O)NC(C)C 527a_100138425928_100000211969 [1,1,0,0,0,0|1,0,0]=3 3098 B12R0.4 CCCCCCCC(C)OC(C)C 34a_100000212225_200011218727 [1,1,0,0,0,0|1,0,1]=4 3099 B12R0.4 CCCCCCCC(C)OC(C)C 34a_200011215852_100000210206 [1,1,0,0,0,0|1,0,1]=4 3100 B12R0.4 CCCCCCCC(C)OC(C)C 7a_200011215852_100000210206 [1,1,0,0,0,0|1,0,1]=4 3101 B12R0.4 CCCCCCNC(=O)CC(C)C 11a_100000210581_100000210554 [1,1,0,0,0,0|2,0,0]=4 3102 B12R0.4 CCCCCCNC(=O)CC(C)C 1626a_100000210581_100000210554 [1,1,0,0,0,0|2,0,0]=4 3103 B12R0.4 CCCCCCNC(=O)CC(C)C 240690a_100000210581_100000210554 [1,1,0,0,0,0|2,0,0]=4 3104 B12R0.4 CCCCCCNC(=O)CC(C)C 527a_100000210581_100000210554 [1,1,0,0,0,0|2,0,0]=4 3105 B12R0.4 CCCCCCNC(=O)C[C@@H](C)O 240690a_100000210581_100011933948 [1,1,0,0,0,0|2,0,0]=4 3106 B12R0.4 CCCCCCNC(=O)NC(C)C 2708a_100000210581_100138425928 [1,1,0,0,0,0|2,0,0]=4 3107 B12R0.4 CCCCCCNC(=O)NC(C)C 2708a_100138425928_100000210581 [1,1,0,0,0,0|2,0,0]=4 3108 B12R0.4 CCCCCCNC(=O)NC(C)C 273464a_100138425928_100000210581 [1,1,0,0,0,0|2,0,0]=4 3109 B12R0.4 CCCCCCNC(=O)NC(C)C 512a_100000210581_100138425928 [1,1,0,0,0,0|2,0,0]=4 3110 B12R0.4 CCCCCCNC(=O)NC(C)C 512a_100138425928_100000210581 [1,1,0,0,0,0|2,0,0]=4 3111 B12R0.4 CCCCCNCC(=O)NC(C)C 2230a_100000168517_100000210326 [1,1,0,0,0,0|2,0,0]=4 3112 B12R0.4 CCCCCNCC(=O)NC(C)C 2230a_100000209983_100000183996 [1,1,0,0,0,0|2,0,0]=4 3113 B12R0.4 CCCCCNCC(=O)OC(C)C 2230a_100000209983_100011215430 [1,1,0,0,0,0|1,0,0]=3 3114 B12R0.4 CCCCCOCC(=O)NC(C)C 34a_100000210253_100000183996 [1,1,0,0,0,0|2,0,0]=4 3115 B12R0.4 CCCCCOCC(=O)NC(C)C 7a_100000210253_100000183996 [1,1,0,0,0,0|2,0,0]=4 3116 B12R0.4 CCCCCOCC(=O)OC(C)C 34a_100000210253_100011215430 [1,1,0,0,0,0|1,0,0]=3 3117 B12R0.4 CCCCCOCC(=O)OC(C)C 7a_100000210253_100011215430 [1,1,0,0,0,0|1,0,0]=3 3118 B12R0.4 CCCCCSCC(=O)NC(C)C 62a_100000183996_100000210326 [1,1,0,0,0,0|2,0,0]=4 3119 B12R0.4 CCCCCSCC(=O)NC(C)C 62a_100000210326_100000183996 [1,1,0,0,0,0|2,0,0]=4 3120 B12R0.4 CCCCCSCC(=O)OC(C)C 62a_100000210326_100011215430 [1,1,0,0,0,0|1,0,0]=3 3121 B12R0.4 CCCCCSCC(=O)OC(C)C 62a_100011215430_100000210326 [1,1,0,0,0,0|1,0,0]=3 3122 B12R0.4 CCCCNCCC(=O)NC(C)C 2230a_100000102301_100000737564 [1,1,0,0,0,0|2,0,0]=4 3123 B12R0.4 CCCCNCCC(=O)NC(C)C 7a_106832991798_100000737564 [1,1,0,0,0,0|2,0,0]=4 3124 B12R0.4 CCCCNCCC(=O)OC(C)C 2230a_100000102301_100000760027 [1,1,0,0,0,0|1,0,0]=3 3125 B12R0.4 CCCCNCCC(=O)OC(C)C 7a_106832991798_100000760027 [1,1,0,0,0,0|1,0,0]=3 3126 B12R0.4 CCCCOCCC(=O)CC(C)C 1458a_100000210554_100000743108 [1,1,0,0,0,0|2,0,0]=4 3127 B12R0.4 CCCCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100000743108 [1,1,0,0,0,0|2,0,0]=4 3128 B12R0.4 CCCCOCCC(=O)NC(C)C 7a_100000210227_100000737564 [1,1,0,0,0,0|2,0,0]=4 3129 B12R0.4 CCCCOCCC(=O)OC(C)C 7a_100000210227_100000760027 [1,1,0,0,0,0|1,0,0]=3 3130 B12R0.4 CCCCSCCC(=O)NC(C)C 62a_100000210211_100000737564 [1,1,0,0,0,0|2,0,0]=4 3131 B12R0.4 CCCCSCCC(=O)NC(C)C 62a_100000737564_100000210210 [1,1,0,0,0,0|2,0,0]=4 3132 B12R0.4 CCCCSCCC(=O)OC(C)C 62a_100000210211_100000760027 [1,1,0,0,0,0|1,0,0]=3 3133 B12R0.4 CCCCSCCC(=O)OC(C)C 62a_100000760027_100000210210 [1,1,0,0,0,0|1,0,0]=3 3134 B12R0.4 CCCCSCOC(=O)OC(C)C 62a_100000003507_100000210210 [1,1,0,0,0,0|2,0,0]=4 3135 B12R0.4 CCCCSCOC(=O)OC(C)C 62a_100000210211_100000003507 [1,1,0,0,0,0|2,0,0]=4 3136 B12R0.4 CCOCCNCC(=O)OC(C)C 2230a_102516460346_100011215430 [1,1,0,0,0,0|2,0,0]=4 3137 B12R0.4 CCOCCNCC(=O)OC(C)C 34a_102516460346_100011215430 [1,1,0,0,0,0|2,0,0]=4 3138 B12R0.4 CCOCCOCC(=O)OC(C)C 34a_100000210136_100011215430 [1,1,0,0,0,0|2,0,0]=4 3139 B12R0.4 CCOCCOCC(=O)OC(C)C 7a_100000210136_100011215430 [1,1,0,0,0,0|2,0,0]=4 3140 B12R0.4 CCOCCSCC(=O)OC(C)C 62a_100000210147_100011215430 [1,1,0,0,0,0|2,0,0]=4 3141 B12R0.4 CCOCCSCC(=O)OC(C)C 62a_100011215430_100011215890 [1,1,0,0,0,0|2,0,0]=4 3142 B12R0.4 CCOCSCCC(=O)OC(C)C 62a_100000739092_100000760027 [1,1,0,0,0,0|2,0,0]=4 3143 B12R0.4 CCOCSCCC(=O)OC(C)C 62a_100000760027_100000739092 [1,1,0,0,0,0|2,0,0]=4 3144 B12R0.4 CCSCCNCC(=O)OC(C)C 2230a_100000106463_100011215430 [1,1,0,0,0,0|2,0,0]=4 3145 B12R0.4 CCSCCOCC(=O)OC(C)C 34a_100000212035_100011215430 [1,1,0,0,0,0|2,0,0]=4 3146 B12R0.4 CCSCCOCC(=O)OC(C)C 7a_100000212035_100011215430 [1,1,0,0,0,0|2,0,0]=4 3147 B12R0.4 CCSCCSCC(=O)OC(C)C 62a_100000757381_100011215430 [1,1,0,0,0,0|2,0,0]=4 3148 B12R0.4 CCSCCSCC(=O)OC(C)C 62a_100011215430_100000757381 [1,1,0,0,0,0|2,0,0]=4 3149 B12R0.4 CNCCCCCC(=O)OC(C)C 2230a_106832991635_200010986244 [1,1,0,0,0,0|1,0,0]=3 3150 B12R0.4 CNCCCCCC(=O)OC(C)C 34a_100102657272_200010986244 [1,1,0,0,0,0|1,0,0]=3 3151 B12R0.4 CNCCCCCC(=O)OC(C)C 7a_106832991635_200010986244 [1,1,0,0,0,0|1,0,0]=3 3152 B12R0.4 CNCCCOCC(=O)OC(C)C 34a_100000213112_100011215430 [1,1,0,0,0,0|2,0,0]=4 3153 B12R0.4 COCCCCCC(=O)CC(C)C 1458a_100011935119_100000210624 [1,1,0,0,0,0|2,0,0]=4 3154 B12R0.4 COCCCCCC(=O)CC(C)O 1458a_100011935119_100011218427 [1,1,0,0,0,0|2,0,0]=4 3155 B12R0.4 COCCCCCC(=O)NC(C)C 11a_100138425928_100011935119 [1,1,0,0,0,0|2,0,0]=4 3156 B12R0.4 COCCCCCC(=O)NC(C)C 1626a_100138425928_100011935119 [1,1,0,0,0,0|2,0,0]=4 3157 B12R0.4 COCCCCCC(=O)NC(C)C 240690a_100138425928_100011935119 [1,1,0,0,0,0|2,0,0]=4 3158 B12R0.4 COCCCCCC(=O)NC(C)C 527a_100138425928_100011935119 [1,1,0,0,0,0|2,0,0]=4 3159 B12R0.4 COCCCCCC(=O)OC(C)C 34a_100138415774_200010986244 [1,1,0,0,0,0|1,0,0]=3 3160 B12R0.4 COCCCNCC(=O)OC(C)C 34a_100150723488_100011215430 [1,1,0,0,0,0|2,0,0]=4 3161 B12R0.4 COCCCOCC(=O)OC(C)C 34a_100000740835_100011215430 [1,1,0,0,0,0|2,0,0]=4 3162 B12R0.4 COCCCSCC(=O)OC(C)C 62a_100000709357_100011215430 [1,1,0,0,0,0|2,0,0]=4 3163 B12R0.4 COCCCSCC(=O)OC(C)C 62a_100011215430_100000709357 [1,1,0,0,0,0|2,0,0]=4 3164 B12R0.4 COCCNCCC(=O)OC(C)C 2230a_100000209980_100000760027 [1,1,0,0,0,0|2,0,0]=4 3165 B12R0.4 COCCSCCC(=O)OC(C)C 62a_100000233755_100000760027 [1,1,0,0,0,0|2,0,0]=4 3166 B12R0.4 COCCSCCC(=O)OC(C)C 62a_100000760027_100000233755 [1,1,0,0,0,0|2,0,0]=4 3167 B12R0.4 CSCCCCCC(=O)OC(C)C 62a_200000210301_200010986244 [1,1,0,0,0,0|1,0,0]=3 3168 B12R0.4 CSCCCCCC(=O)OC(C)C 62a_200010986244_200000210301 [1,1,0,0,0,0|1,0,0]=3 3169 B12R0.4 CSCCCNCC(=O)OC(C)C 2230a_100000749238_100011215430 [1,1,0,0,0,0|2,0,0]=4 3170 B12R0.4 CSCCCOCC(=O)OC(C)C 34a_100000690336_100011215430 [1,1,0,0,0,0|2,0,0]=4 3171 B12R0.4 CSCCCOCC(=O)OC(C)C 7a_100000690336_100011215430 [1,1,0,0,0,0|2,0,0]=4 3172 B12R0.4 CSCCNCCC(=O)OC(C)C 2230a_100020590264_100000760027 [1,1,0,0,0,0|2,0,0]=4 3173 B12R0.4 CSCCOCCC(=O)OC(C)C 7a_100000230434_100000760027 [1,1,0,0,0,0|2,0,0]=4 3174 B12R0.4 CSCCSCCC(=O)OC(C)C 62a_100000212216_100000760027 [1,1,0,0,0,0|2,0,0]=4 3175 B12R0.4 CSCCSCCC(=O)OC(C)C 62a_100000760027_100000751147 [1,1,0,0,0,0|2,0,0]=4 3176 B12R0.4 C[C@@H](O)CC(=O)CCCCCCF 1458a_100011933948_100015922095 [1,1,0,0,0,0|2,0,0]=4 3177 B12R0.4 C[C@@H](O)CC(=O)CCCCCCO 1458a_100011933948_100000766143 [1,1,0,0,0,0|2,0,0]=4 3178 B12R0.49 C/C=C(\C)/C(=O)CCCCCCC 1458a_100020587367_100000210614 [1,1,0,0,0,0|1,0,1]=4 3179 B12R0.49 CCC(C)C(=O)CCCCCCF 1458a_100011192722_100015922095 [1,1,0,0,0,0|2,0,0]=4 3180 B12R0.49 CCC(C)C(=O)CCCCCCO 1458a_100011192722_100000766143 [1,1,0,0,0,0|2,0,0]=4 3181 B12R0.49 CCC(C)C(=O)CCCCCCO 1458a_100011996774_100000758301 [1,1,0,0,0,0|2,0,0]=4 3182 B12R0.49 CCC(C)C(=O)CCCCCOC 1458a_100011935119_100000758301 [1,1,0,0,0,0|2,0,0]=4 3183 B12R0.49 CCC(O)C(=O)CCCCCCF 1458a_100011196387_100015922095 [1,1,0,0,0,0|2,0,0]=4 3184 B12R0.49 CCC(O)C(=O)CCCCCCO 1458a_100011196387_100000766143 [1,1,0,0,0,0|2,0,0]=4 3185 B12R0.49 CCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210614 [1,1,0,0,0,0|2,0,0]=4 3186 B12R0.49 CCCCCCCC(=O)C(C)CC 1458a_100000211969_100000758301 [1,1,0,0,0,0|1,0,0]=3 3187 B12R0.49 CCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210614 [1,1,0,0,0,0|1,0,0]=3 3188 B12R0.49 CCCCCCCC(=O)C(C)OC 1458a_100000743197_100000210614 [1,1,0,0,0,0|2,0,0]=4 3189 B12R0.49 CCCCCCCC(=O)C(C)SC 1458a_100000149566_100000210614 [1,1,0,0,0,0|2,0,0]=4 3190 B12R0.49 CCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210614 [1,1,0,0,0,0|1,0,0]=3 3191 B12R0.49 CCCCCCCC(=O)C(O)CO 1458a_100011215603_100000210614 [1,1,0,0,0,0|2,0,0]=4 3192 B12R0.49 CCCCCCCC(=O)N(C)CC 11a_100000225621_100000211969 [1,1,0,0,0,0|1,0,0]=3 3193 B12R0.49 CCCCCCCC(=O)N(C)CC 1626a_100000225621_100000211969 [1,1,0,0,0,0|1,0,0]=3 3194 B12R0.49 CCCCCCCC(=O)N(C)CC 240690a_100000225621_100000211969 [1,1,0,0,0,0|1,0,0]=3 3195 B12R0.49 CCCCCCCC(=O)N(C)CC 527a_100000225621_100000211969 [1,1,0,0,0,0|1,0,0]=3 3196 B12R0.49 CCCCCCNC(=O)C(C)CC 11a_100000210581_100011192722 [1,1,0,0,0,0|2,0,0]=4 3197 B12R0.49 CCCCCCNC(=O)C(C)CC 1626a_100000210581_100011192722 [1,1,0,0,0,0|2,0,0]=4 3198 B12R0.49 CCCCCCNC(=O)C(C)CC 240690a_100000210581_100011192722 [1,1,0,0,0,0|2,0,0]=4 3199 B12R0.49 CCCCCCNC(=O)C(C)CC 527a_100000210581_100011192722 [1,1,0,0,0,0|2,0,0]=4 3200 B12R0.49 CCCCCCNC(=O)C(O)CC 240690a_100000210581_100011196387 [1,1,0,0,0,0|2,0,0]=4 3201 B12R0.49 CCCCCCNC(=O)N(C)CC 2708a_100000210581_100000225621 [1,1,0,0,0,0|2,0,0]=4 3202 B12R0.49 CCCCCCNC(=O)N(C)CC 273464a_100000210581_100000225621 [1,1,0,0,0,0|2,0,0]=4 3203 B12R0.49 CCCCCNCC(=O)N(C)CC 2230a_100000209983_100000738999 [1,1,0,0,0,0|2,0,0]=4 3204 B12R0.49 CCCCCOCC(=O)N(C)CC 34a_100000210253_100000738999 [1,1,0,0,0,0|2,0,0]=4 3205 B12R0.49 CCCCCOCC(=O)N(C)CC 7a_100000210253_100000738999 [1,1,0,0,0,0|2,0,0]=4 3206 B12R0.49 CCCCCSCC(=O)N(C)CC 62a_100000210326_100000738999 [1,1,0,0,0,0|2,0,0]=4 3207 B12R0.49 CCCCCSCC(=O)N(C)CC 62a_100000738999_100000210326 [1,1,0,0,0,0|2,0,0]=4 3208 B12R0.49 CCCCOCCC(=O)C(C)CC 1458a_100011192722_100000743108 [1,1,0,0,0,0|2,0,0]=4 3209 B12R0.49 CCCCOCCC(=O)C(O)CC 1458a_100011196387_100000743108 [1,1,0,0,0,0|2,0,0]=4 3210 B12R0.49 CCN(C)C(=O)CCCCCCO 240690a_100000225621_100011996774 [1,1,0,0,0,0|2,0,0]=4 3211 B12R0.49 CCN(C)C(=O)CCCCCOC 11a_100000225621_100011935119 [1,1,0,0,0,0|2,0,0]=4 3212 B12R0.49 CCN(C)C(=O)CCCCCOC 1626a_100000225621_100011935119 [1,1,0,0,0,0|2,0,0]=4 3213 B12R0.49 CCN(C)C(=O)CCCCCOC 240690a_100000225621_100011935119 [1,1,0,0,0,0|2,0,0]=4 3214 B12R0.49 CCN(C)C(=O)CCCCCOC 527a_100000225621_100011935119 [1,1,0,0,0,0|2,0,0]=4 3215 B12R0.101 CCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210211 [1,1,0,0,0,0|1,0,1]=4 3216 B12R0.101 CCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210211 [1,1,0,0,0,0|0,0,1]=3 3217 B12R0.101 CCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210211 [1,1,0,0,0,0|1,0,1]=4 3218 B12R0.101 CCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000210183 [1,1,0,0,0,0|1,0,1]=4 3219 B12R0.101 CCCCC(C)CCC(=O)CCC 1458a_100000033779_100000210303 [1,1,0,0,0,0|1,0,0]=3 3220 B12R0.101 CCCCC(C)CCC(=O)CCF 1458a_100000033779_100011217306 [1,1,0,0,0,0|2,0,0]=4 3221 B12R0.101 CCCCC(C)CCC(=O)CCO 1458a_100000033779_100000211926 [1,1,0,0,0,0|2,0,0]=4 3222 B12R0.101 CCCCC(C)CCC(=O)NCC 11a_100015525214_100000033779 [1,1,0,0,0,0|1,0,0]=3 3223 B12R0.101 CCCCC(C)CCC(=O)NCC 240690a_100015525214_100000033779 [1,1,0,0,0,0|1,0,0]=3 3224 B12R0.101 CCCCC(C)CCC(=O)NCC 527a_100015525214_100000033779 [1,1,0,0,0,0|1,0,0]=3 3225 B12R0.101 CCCCC(C)CCC(=O)NNC 22a_100016993582_100000033779 [1,1,0,0,0,0|2,0,0]=4 3226 B12R0.101 CCCCC(C)NCC(=O)CCC 2230a_100000126638_100000747444 [1,1,0,0,0,0|2,0,0]=4 3227 B12R0.101 CCCCC(C)NCC(=O)NCC 2230a_100000126638_100000183381 [1,1,0,0,0,0|2,0,0]=4 3228 B12R0.101 CCCCC(C)NCC(=O)NCC 2230a_100016988866_200011215066 [1,1,0,0,0,0|2,0,0]=4 3229 B12R0.101 CCCCC(C)NCC(=O)NCC 270004a_100016988866_100000210087 [1,1,0,0,0,0|2,0,0]=4 3230 B12R0.101 CCCCC(C)NCC(=O)OCC 2230a_100000126638_100000188475 [1,1,0,0,0,0|1,0,0]=3 3231 B12R0.101 CCCCC(C)OCC(=O)CCC 7a_100000687866_100000747444 [1,1,0,0,0,0|2,0,0]=4 3232 B12R0.101 CCCCC(C)OCC(=O)NCC 34a_100000687866_100000183381 [1,1,0,0,0,0|2,0,0]=4 3233 B12R0.101 CCCCC(C)OCC(=O)NCC 7a_100000687866_100000183381 [1,1,0,0,0,0|2,0,0]=4 3234 B12R0.101 CCCCC(C)OCC(=O)OCC 34a_100000687866_100000188475 [1,1,0,0,0,0|1,0,0]=3 3235 B12R0.101 CCCCC(C)OCC(=O)OCC 7a_100000687866_100000188475 [1,1,0,0,0,0|1,0,0]=3 3236 B12R0.101 CCCCC(C)SCC(=O)CCC 62a_100000747444_200011215066 [1,1,0,0,0,0|2,0,0]=4 3237 B12R0.101 CCCCC(C)SCC(=O)CCC 62a_200011215066_100000747444 [1,1,0,0,0,0|2,0,0]=4 3238 B12R0.101 CCCCC(C)SCC(=O)NCC 62a_100000183381_200011215066 [1,1,0,0,0,0|2,0,0]=4 3239 B12R0.101 CCCCC(C)SCC(=O)NCC 62a_200011215066_100000183381 [1,1,0,0,0,0|2,0,0]=4 3240 B12R0.101 CCCCC(C)SCC(=O)OCC 62a_100000188475_200011215066 [1,1,0,0,0,0|1,0,0]=3 3241 B12R0.101 CCCCC(C)SCC(=O)OCC 62a_200011215066_100000188475 [1,1,0,0,0,0|1,0,0]=3 3242 B12R0.101 CCCCN(C)CCC(=O)NCC 2230a_100000207549_100000737597 [1,1,0,0,0,0|2,0,0]=4 3243 B12R0.101 CCCCN(C)CCC(=O)NCC 269982a_100000207549_100000737597 [1,1,0,0,0,0|2,0,0]=4 3244 B12R0.101 CCCCN(C)CCC(=O)OCC 2230a_100000207549_100011206558 [1,1,0,0,0,0|1,0,0]=3 3245 B12R0.101 CCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210211 [1,1,0,0,0,0|1,0,0]=3 3246 B12R0.101 CCCCN(C)CCC(=O)OCC 269982a_100000207549_100011206558 [1,1,0,0,0,0|1,0,0]=3 3247 B12R0.101 CCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210211 [1,1,0,0,0,0|1,0,0]=3 3248 B12R0.101 CCCNC(=O)CCC(=O)OCC 11a_100020643023_100000183558 [1,1,0,0,0,0|1,0,1]=4 3249 B12R0.101 CCCNC(=O)CCC(=O)OCC 1626a_100020643023_100000183558 [1,1,0,0,0,0|1,0,1]=4 3250 B12R0.101 CCCNC(=O)CCC(=O)OCC 240690a_100020643023_100000183558 [1,1,0,0,0,0|1,0,1]=4 3251 B12R0.101 CCCOC(C)CCC(=O)OCC 34a_100000210258_100000748298 [1,1,0,0,0,0|1,0,0]=3 3252 B12R0.101 CCCSC(C)CCC(=O)OCC 62a_100000210303_100000748298 [1,1,0,0,0,0|1,0,0]=3 3253 B12R0.101 CCCSC(C)CCC(=O)OCC 62a_100000748298_100000210303 [1,1,0,0,0,0|1,0,0]=3 3254 B12R0.101 CCOC(=O)CCC(=O)CCCF 1458a_100000183558_100011934791 [1,1,0,0,0,0|1,0,1]=4 3255 B12R0.101 CCOC(=O)CCC(=O)CCCO 1458a_100000183558_100011215043 [1,1,0,0,0,0|1,0,1]=4 3256 B12R0.101 CCOC(=O)CCC(=O)CCOC 1458a_100000183558_100000233755 [1,1,0,0,0,0|1,0,1]=4 3257 B12R0.101 CCOC(=O)CCC(=O)CCSC 1458a_100000183558_100000751147 [1,1,0,0,0,0|1,0,1]=4 3258 B12R0.101 CCOC(=O)CCC(C)NCCF 34a_100000724931_100000748298 [1,1,0,0,0,0|2,0,0]=4 3259 B12R0.101 CCOC(=O)CCC(C)NCCO 2230a_100016997473_100000748298 [1,1,0,0,0,0|2,0,0]=4 3260 B12R0.101 CCOC(=O)CCC(C)NCCO 34a_100016990907_100000748298 [1,1,0,0,0,0|2,0,0]=4 3261 B12R0.101 CCOC(=O)CCC(C)OCCBr 34a_100000211926_100000748298 [1,1,0,0,0,0|2,0,0]=4 3262 B12R0.101 CCOC(=O)CCC(C)OCCN 34a_100000210304_100000748298 [1,1,0,0,0,0|2,0,0]=4 3263 B12R0.101 CCOC(=O)CCC(C)SCCF 62a_100000748298_100011217306 [1,1,0,0,0,0|2,0,0]=4 3264 B12R0.101 CCOC(=O)CCC(C)SCCF 62a_100011217306_100000748298 [1,1,0,0,0,0|2,0,0]=4 3265 B12R0.101 CCOC(=O)CCC(C)SCCO 62a_100000211926_100000748298 [1,1,0,0,0,0|2,0,0]=4 3266 B12R0.101 CCOC(=O)CCC(C)SCCO 62a_100000748298_100000211926 [1,1,0,0,0,0|2,0,0]=4 3267 B12R0.101 CCOC(=O)CCC(C)SCOC 62a_100000748298_100000766300 [1,1,0,0,0,0|2,0,0]=4 3268 B12R0.101 CCOC(=O)CCC(C)SCOC 62a_100000766300_100000748298 [1,1,0,0,0,0|2,0,0]=4 3269 B12R0.101 CCOC(=O)CCC(C)SCSC 62a_100000748298_100011218213 [1,1,0,0,0,0|2,0,0]=4 3270 B12R0.101 CCOC(=O)CCC(C)SCSC 62a_100011218213_100000748298 [1,1,0,0,0,0|2,0,0]=4 3271 B12R0.101 CCOC(=O)CCN(C)CCCF 2230a_100000745921_100011934791 [1,1,0,0,0,0|2,0,0]=4 3272 B12R0.101 CCOC(=O)CCN(C)CCCF 269982a_100000745921_100011934791 [1,1,0,0,0,0|2,0,0]=4 3273 B12R0.101 CCOC(=O)CCN(C)CCCO 2230a_100000213112_100011206558 [1,1,0,0,0,0|2,0,0]=4 3274 B12R0.101 CCOC(=O)CCN(C)CCCO 2230a_100000745921_100000230001 [1,1,0,0,0,0|2,0,0]=4 3275 B12R0.101 CCOC(=O)CCN(C)CCCO 269982a_100000213112_100011206558 [1,1,0,0,0,0|2,0,0]=4 3276 B12R0.101 CCOC(=O)CCN(C)CCCO 269982a_100000745921_100011215043 [1,1,0,0,0,0|2,0,0]=4 3277 B12R0.101 CCOC(=O)CCN(C)CCOC 2230a_100000743101_100011206558 [1,1,0,0,0,0|2,0,0]=4 3278 B12R0.101 CCOC(=O)CCN(C)CCOC 2230a_100000745921_100011201679 [1,1,0,0,0,0|2,0,0]=4 3279 B12R0.101 CCOC(=O)CCN(C)CCOC 269982a_100000743101_100011206558 [1,1,0,0,0,0|2,0,0]=4 3280 B12R0.101 CCOC(=O)CCN(C)CCOC 269982a_100000745921_100000233755 [1,1,0,0,0,0|2,0,0]=4 3281 B12R0.101 CCOC(=O)CCN(C)CCSC 2230a_100000686725_100011206558 [1,1,0,0,0,0|2,0,0]=4 3282 B12R0.101 CCOC(=O)CCN(C)CCSC 2230a_100000745921_100000751147 [1,1,0,0,0,0|2,0,0]=4 3283 B12R0.101 CCOC(=O)CCN(C)CCSC 269982a_100000686725_100011206558 [1,1,0,0,0,0|2,0,0]=4 3284 B12R0.101 CCOC(=O)CCN(C)CCSC 269982a_100000745921_100000212216 [1,1,0,0,0,0|2,0,0]=4 3285 B12R0.101 CCOC(=O)COC(C)CCCCl 34a_200000718107_100000188475 [1,1,0,0,0,0|2,0,0]=4 3286 B12R0.101 CCOC(=O)COC(C)CCCCl 7a_200000718107_100000188475 [1,1,0,0,0,0|2,0,0]=4 3287 B12R0.101 CCOCC(C)OCC(=O)OCC 34a_100000718985_100000188475 [1,1,0,0,0,0|2,0,0]=4 3288 B12R0.101 CCOCC(C)OCC(=O)OCC 7a_100000718985_100000188475 [1,1,0,0,0,0|2,0,0]=4 3289 B12R0.101 CCOCN(C)CCC(=O)OCC 269982a_100000745921_100000739092 [1,1,0,0,0,0|2,0,0]=4 3290 B12R0.114 C=C(CNCCCC)C(=O)OCC 7a_106832991798_100000755967 [1,1,0,0,0,0|1,0,1]=4 3291 B12R0.114 C=C(COCCCC)C(=O)OCC 34a_100000210227_100000755967 [1,1,0,0,0,0|1,0,1]=4 3292 B12R0.114 C=C(COCCCC)C(=O)OCC 7a_100000210227_100000755967 [1,1,0,0,0,0|1,0,1]=4 3293 B12R0.114 C=C(CSCCCC)C(=O)OCC 62a_100000210211_100000755967 [1,1,0,0,0,0|1,0,1]=4 3294 B12R0.114 C=C(CSCCCC)C(=O)OCC 62a_100000755967_100000210210 [1,1,0,0,0,0|1,0,1]=4 3295 B12R0.114 CC#CC(=O)C(C)CCCCCC 1458a_100000763181_100011215978 [1,1,0,0,0,0|1,0,1]=4 3296 B12R0.114 CC=CC(=O)C(C)CCCCCC 1458a_100000210699_100011215978 [1,1,0,0,0,0|1,0,1]=4 3297 B12R0.114 CCCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210757 [1,1,0,0,0,0|1,0,1]=4 3298 B12R0.114 CCCCCCC(C)C(=O)CCC 1458a_100000211992_100011215978 [1,1,0,0,0,0|1,0,0]=3 3299 B12R0.114 CCCCCCC(C)C(=O)CCO 1458a_100011216618_100011215978 [1,1,0,0,0,0|2,0,0]=4 3300 B12R0.114 CCCCCCC(C)C(=O)COC 1458a_100000210968_100011215978 [1,1,0,0,0,0|2,0,0]=4 3301 B12R0.114 CCCCCCC(C)C(=O)CSC 1458a_100000184570_100011215978 [1,1,0,0,0,0|2,0,0]=4 3302 B12R0.114 CCCCCCC(O)C(=O)CCC 1458a_100011215828_100000210303 [1,1,0,0,0,0|1,0,0]=3 3303 B12R0.114 CCCCCCC(O)C(=O)CCF 1458a_100011215828_100011217306 [1,1,0,0,0,0|2,0,0]=4 3304 B12R0.114 CCCCCCC(O)C(=O)CCO 1458a_100011215828_100000211926 [1,1,0,0,0,0|2,0,0]=4 3305 B12R0.114 CCCCCCC(O)C(=O)NCC 240690a_100015525214_100011215828 [1,1,0,0,0,0|1,0,0]=3 3306 B12R0.114 CCCCCCC(O)C(=O)NNC 22a_100016993582_100011215828 [1,1,0,0,0,0|2,0,0]=4 3307 B12R0.114 CCCCCCN(C)C(=O)CCC 11a_106256046315_100000211992 [1,1,0,0,0,0|2,0,0]=4 3308 B12R0.114 CCCCCCN(C)C(=O)CCC 1626a_106256046315_100000211992 [1,1,0,0,0,0|2,0,0]=4 3309 B12R0.114 CCCCCCN(C)C(=O)CCC 240690a_106256046315_100000211992 [1,1,0,0,0,0|2,0,0]=4 3310 B12R0.114 CCCCCCN(C)C(=O)CCC 527a_106256046315_100000211992 [1,1,0,0,0,0|2,0,0]=4 3311 B12R0.114 CCCCCCN(C)C(=O)NCC 2708a_100015525214_106256046315 [1,1,0,0,0,0|2,0,0]=4 3312 B12R0.114 CCCCCCN(C)C(=O)NCC 273464a_100015525214_106256046315 [1,1,0,0,0,0|2,0,0]=4 3313 B12R0.114 CCCCCNC(=O)C(=O)OCC 11a_100000209983_100014798877 [1,1,0,0,0,0|1,0,1]=4 3314 B12R0.114 CCCCCNC(=O)C(=O)OCC 1626a_100000209983_100014798877 [1,1,0,0,0,0|1,0,1]=4 3315 B12R0.114 CCCCCNC(=O)C(=O)OCC 240690a_100000209983_100014798877 [1,1,0,0,0,0|1,0,1]=4 3316 B12R0.114 CCCCCNC(C)C(=O)NCC 2230a_100000209983_100000230173 [1,1,0,0,0,0|2,0,0]=4 3317 B12R0.114 CCCCCNC(C)C(=O)NCC 2230a_100000736553_100000210326 [1,1,0,0,0,0|2,0,0]=4 3318 B12R0.114 CCCCCNC(C)C(=O)NCC 34a_100000736553_100000718602 [1,1,0,0,0,0|2,0,0]=4 3319 B12R0.114 CCCCCNC(C)C(=O)OCC 2230a_100000209983_100011215307 [1,1,0,0,0,0|1,0,0]=3 3320 B12R0.114 CCCCCNC(F)C(=O)OCC 2230a_100000209983_100000760018 [1,1,0,0,0,0|1,0,0]=3 3321 B12R0.114 CCCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210326 [1,1,0,0,0,0|1,1,0]=4 3322 B12R0.114 CCCCCOC(C)C(=O)NCC 34a_100000210253_100000230173 [1,1,0,0,0,0|2,0,0]=4 3323 B12R0.114 CCCCCOC(C)C(=O)NCC 7a_100000210253_100000230173 [1,1,0,0,0,0|2,0,0]=4 3324 B12R0.114 CCCCCOC(C)C(=O)OCC 34a_100000210253_100011216346 [1,1,0,0,0,0|1,0,0]=3 3325 B12R0.114 CCCCCOC(C)C(=O)OCC 7a_100000210253_100011216346 [1,1,0,0,0,0|1,0,0]=3 3326 B12R0.114 CCCCCOC(F)C(=O)OCC 34a_100000210253_100000760018 [1,1,0,0,0,0|1,0,0]=3 3327 B12R0.114 CCCCCOC(F)C(=O)OCC 7a_100000210253_100000040065 [1,1,0,0,0,0|1,0,0]=3 3328 B12R0.114 CCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210326 [1,1,0,0,0,0|1,0,0]=3 3329 B12R0.114 CCCCCSC(C)C(=O)NCC 62a_100000210326_100000230173 [1,1,0,0,0,0|2,0,0]=4 3330 B12R0.114 CCCCCSC(C)C(=O)NCC 62a_100000230173_100000210326 [1,1,0,0,0,0|2,0,0]=4 3331 B12R0.114 CCCCCSC(C)C(=O)OCC 62a_100000210326_100011216346 [1,1,0,0,0,0|1,0,0]=3 3332 B12R0.114 CCCCCSC(C)C(=O)OCC 62a_100011216346_100000210326 [1,1,0,0,0,0|1,0,0]=3 3333 B12R0.114 CCCCCSC(F)C(=O)OCC 62a_100000210326_100000760018 [1,1,0,0,0,0|1,0,0]=3 3334 B12R0.114 CCCCCSC(F)C(=O)OCC 62a_100000760018_100000210326 [1,1,0,0,0,0|1,0,0]=3 3335 B12R0.114 CCCCSCC(=O)C(=O)OCC 62a_100000210211_100000211299 [1,1,0,0,0,0|1,0,1]=4 3336 B12R0.114 CCCCSCC(=O)C(=O)OCC 62a_100000211299_100000210210 [1,1,0,0,0,0|1,0,1]=4 3337 B12R0.114 CCOC(=O)C(C)NCCCCO 2230a_100000750430_100011215307 [1,1,0,0,0,0|2,0,0]=4 3338 B12R0.114 CCOC(=O)C(C)NCCCCO 34a_100000750430_100011216346 [1,1,0,0,0,0|2,0,0]=4 3339 B12R0.114 CCOC(=O)C(C)NCCCOC 34a_100150723488_100011216346 [1,1,0,0,0,0|2,0,0]=4 3340 B12R0.114 CCOC(=O)C(C)NCCCSC 2230a_100000749238_100011215307 [1,1,0,0,0,0|2,0,0]=4 3341 B12R0.114 CCOC(=O)C(C)NCCSCC 2230a_100000106463_100011215307 [1,1,0,0,0,0|2,0,0]=4 3342 B12R0.114 CCOC(=O)C(C)OCCCCBr 34a_100011216708_100011216346 [1,1,0,0,0,0|2,0,0]=4 3343 B12R0.114 CCOC(=O)C(C)OCCCCCl 34a_100000210776_100011216346 [1,1,0,0,0,0|2,0,0]=4 3344 B12R0.114 CCOC(=O)C(C)OCCCCCl 7a_100000210776_100011216346 [1,1,0,0,0,0|2,0,0]=4 3345 B12R0.114 CCOC(=O)C(C)OCCCCF 34a_100011995726_100011216346 [1,1,0,0,0,0|2,0,0]=4 3346 B12R0.114 CCOC(=O)C(C)OCCCCF 7a_100011995726_100011216346 [1,1,0,0,0,0|2,0,0]=4 3347 B12R0.114 CCOC(=O)C(C)OCCCCI 34a_200012148704_100011216346 [1,1,0,0,0,0|2,0,0]=4 3348 B12R0.114 CCOC(=O)C(C)OCCCCN 34a_100000750430_100011216346 [1,1,0,0,0,0|2,0,0]=4 3349 B12R0.114 CCOC(=O)C(C)OCCCNC 34a_100000213112_100011216346 [1,1,0,0,0,0|2,0,0]=4 3350 B12R0.114 CCOC(=O)C(C)OCCCOC 34a_100000740835_100011216346 [1,1,0,0,0,0|2,0,0]=4 3351 B12R0.114 CCOC(=O)C(C)OCCCSC 34a_100000690336_100011216346 [1,1,0,0,0,0|2,0,0]=4 3352 B12R0.114 CCOC(=O)C(C)OCCCSC 7a_100000690336_100011216346 [1,1,0,0,0,0|2,0,0]=4 3353 B12R0.114 CCOC(=O)C(C)OCCSCC 34a_100000212035_100011216346 [1,1,0,0,0,0|2,0,0]=4 3354 B12R0.114 CCOC(=O)C(C)OCCSCC 7a_100000212035_100011216346 [1,1,0,0,0,0|2,0,0]=4 3355 B12R0.114 CCOC(=O)C(C)SCCCCF 62a_100000729493_100011216346 [1,1,0,0,0,0|2,0,0]=4 3356 B12R0.114 CCOC(=O)C(C)SCCCCF 62a_100011216346_100000729493 [1,1,0,0,0,0|2,0,0]=4 3357 B12R0.114 CCOC(=O)C(C)SCCCCO 62a_100000210776_100011216346 [1,1,0,0,0,0|2,0,0]=4 3358 B12R0.114 CCOC(=O)C(C)SCCCCO 62a_100011216346_100000210776 [1,1,0,0,0,0|2,0,0]=4 3359 B12R0.114 CCOC(=O)C(C)SCCCOC 62a_100000709357_100011216346 [1,1,0,0,0,0|2,0,0]=4 3360 B12R0.114 CCOC(=O)C(C)SCCCOC 62a_100011216346_100000709357 [1,1,0,0,0,0|2,0,0]=4 3361 B12R0.114 CCOC(=O)C(C)SCCSCC 62a_100000757381_100011216346 [1,1,0,0,0,0|2,0,0]=4 3362 B12R0.114 CCOC(=O)C(C)SCCSCC 62a_100011216346_100000757381 [1,1,0,0,0,0|2,0,0]=4 3363 B12R0.114 CCOC(=O)C(F)NCCCCO 2230a_100000750430_100000760018 [1,1,0,0,0,0|2,0,0]=4 3364 B12R0.114 CCOC(=O)C(F)NCCCCO 34a_100000750430_100000760018 [1,1,0,0,0,0|2,0,0]=4 3365 B12R0.114 CCOC(=O)C(F)NCCCOC 34a_100150723488_100000760018 [1,1,0,0,0,0|2,0,0]=4 3366 B12R0.114 CCOC(=O)C(F)NCCCSC 2230a_100000749238_100000760018 [1,1,0,0,0,0|2,0,0]=4 3367 B12R0.114 CCOC(=O)C(F)NCCSCC 2230a_100000106463_100000760018 [1,1,0,0,0,0|2,0,0]=4 3368 B12R0.114 CCOC(=O)C(F)OCCCCBr 34a_100011216708_100000760018 [1,1,0,0,0,0|2,0,0]=4 3369 B12R0.114 CCOC(=O)C(F)OCCCCCl 34a_100000210776_100000760018 [1,1,0,0,0,0|2,0,0]=4 3370 B12R0.114 CCOC(=O)C(F)OCCCCCl 7a_100000210776_100000040065 [1,1,0,0,0,0|2,0,0]=4 3371 B12R0.114 CCOC(=O)C(F)OCCCCF 34a_100011995726_100000760018 [1,1,0,0,0,0|2,0,0]=4 3372 B12R0.114 CCOC(=O)C(F)OCCCCF 7a_100011995726_100000040065 [1,1,0,0,0,0|2,0,0]=4 3373 B12R0.114 CCOC(=O)C(F)OCCCCI 34a_200012148704_100000760018 [1,1,0,0,0,0|2,0,0]=4 3374 B12R0.114 CCOC(=O)C(F)OCCCCN 34a_100000750430_100000760018 [1,1,0,0,0,0|2,0,0]=4 3375 B12R0.114 CCOC(=O)C(F)OCCCNC 34a_100000213112_100000760018 [1,1,0,0,0,0|2,0,0]=4 3376 B12R0.114 CCOC(=O)C(F)OCCCOC 34a_100000740835_100000760018 [1,1,0,0,0,0|2,0,0]=4 3377 B12R0.114 CCOC(=O)C(F)OCCCSC 34a_100000690336_100000760018 [1,1,0,0,0,0|2,0,0]=4 3378 B12R0.114 CCOC(=O)C(F)OCCCSC 7a_100000690336_100000040065 [1,1,0,0,0,0|2,0,0]=4 3379 B12R0.114 CCOC(=O)C(F)OCCSCC 34a_100000212035_100000760018 [1,1,0,0,0,0|2,0,0]=4 3380 B12R0.114 CCOC(=O)C(F)OCCSCC 7a_100000212035_100000040065 [1,1,0,0,0,0|2,0,0]=4 3381 B12R0.114 CCOC(=O)C(F)SCCCCF 62a_100000729493_100000760018 [1,1,0,0,0,0|2,0,0]=4 3382 B12R0.114 CCOC(=O)C(F)SCCCCF 62a_100000760018_100000729493 [1,1,0,0,0,0|2,0,0]=4 3383 B12R0.114 CCOC(=O)C(F)SCCCCO 62a_100000210776_100000760018 [1,1,0,0,0,0|2,0,0]=4 3384 B12R0.114 CCOC(=O)C(F)SCCCCO 62a_100000760018_100000210776 [1,1,0,0,0,0|2,0,0]=4 3385 B12R0.114 CCOC(=O)C(F)SCCCOC 62a_100000709357_100000760018 [1,1,0,0,0,0|2,0,0]=4 3386 B12R0.114 CCOC(=O)C(F)SCCCOC 62a_100000760018_100000709357 [1,1,0,0,0,0|2,0,0]=4 3387 B12R0.114 CCOC(=O)C(F)SCCSCC 62a_100000757381_100000760018 [1,1,0,0,0,0|2,0,0]=4 3388 B12R0.114 CCOC(=O)C(F)SCCSCC 62a_100000760018_100000757381 [1,1,0,0,0,0|2,0,0]=4 3389 B12R0.114 CCOC(=O)[C@H](C)OCCCCF 7a_100000751109_100000729493 [1,1,0,0,0,0|2,0,0]=4 3390 B12R0.114 CCOC(=O)[C@H](C)OCCCCO 7a_100000751109_100000210776 [1,1,0,0,0,0|2,0,0]=4 3391 B12R0.114 CCOC(=O)[C@H](C)OCCCOC 7a_100000751109_100000740836 [1,1,0,0,0,0|2,0,0]=4 3392 B12R0.114 CCOC(=O)[C@H](C)OCCSCC 7a_100000751109_100000757381 [1,1,0,0,0,0|2,0,0]=4 3393 B12R0.114 CCOCCNC(C)C(=O)OCC 2230a_102516460346_100011215307 [1,1,0,0,0,0|2,0,0]=4 3394 B12R0.114 CCOCCNC(C)C(=O)OCC 34a_102516460346_100011216346 [1,1,0,0,0,0|2,0,0]=4 3395 B12R0.114 CCOCCNC(F)C(=O)OCC 2230a_102516460346_100000760018 [1,1,0,0,0,0|2,0,0]=4 3396 B12R0.114 CCOCCNC(F)C(=O)OCC 34a_102516460346_100000760018 [1,1,0,0,0,0|2,0,0]=4 3397 B12R0.114 CCOCCOC(C)C(=O)OCC 34a_100000210136_100011216346 [1,1,0,0,0,0|2,0,0]=4 3398 B12R0.114 CCOCCOC(C)C(=O)OCC 7a_100000210136_100011216346 [1,1,0,0,0,0|2,0,0]=4 3399 B12R0.114 CCOCCOC(F)C(=O)OCC 34a_100000210136_100000760018 [1,1,0,0,0,0|2,0,0]=4 3400 B12R0.114 CCOCCOC(F)C(=O)OCC 7a_100000210136_100000040065 [1,1,0,0,0,0|2,0,0]=4 3401 B12R0.114 CCOCCO[C@@H](C)C(=O)OCC 7a_100000751109_100011215890 [1,1,0,0,0,0|2,0,0]=4 3402 B12R0.114 CCOCCSC(C)C(=O)OCC 62a_100000210147_100011216346 [1,1,0,0,0,0|2,0,0]=4 3403 B12R0.114 CCOCCSC(C)C(=O)OCC 62a_100011216346_100011215890 [1,1,0,0,0,0|2,0,0]=4 3404 B12R0.114 CCOCCSC(F)C(=O)OCC 62a_100000210147_100000760018 [1,1,0,0,0,0|2,0,0]=4 3405 B12R0.114 CCOCCSC(F)C(=O)OCC 62a_100000760018_100011215890 [1,1,0,0,0,0|2,0,0]=4 3406 B12R0.121 C=CC(CCCCCCC)OCC 34a_200011934235_100000210202 [1,1,0,0,0,0|1,0,1]=4 3407 B12R0.121 C=CC(CCCCCCC)OCC 7a_200011934235_100000210202 [1,1,0,0,0,0|1,0,1]=4 3408 B12R0.121 CCCCCCCC(CC)OCC 34a_200011217053_100000210202 [1,1,0,0,0,0|1,0,1]=4 3409 B12R0.121 CCCCCCCC(CC)OCC 7a_200011217053_100000210202 [1,1,0,0,0,0|1,0,1]=4 3410 B12R0.206 C#CCCC(=O)CCCCCCC 1458a_100000211969_100000753159 [1,1,0,0,0,0|1,0,1]=4 3411 B12R0.206 C#CCCC(=O)CCCCCCC 1458a_100000692101_100000210614 [1,1,0,0,0,0|1,0,1]=4 3412 B12R0.206 C#CCCCCCC(=O)COCC 1458a_100000211967_100012094781 [1,1,0,0,0,0|0,0,2]=4 3413 B12R0.206 C#CCNC(=O)CCCCCCC 11a_100000212058_100000211969 [1,1,0,0,0,0|1,0,1]=4 3414 B12R0.206 C#CCNC(=O)CCCCCCC 1626a_100000212058_100000211969 [1,1,0,0,0,0|1,0,1]=4 3415 B12R0.206 C#CCNC(=O)CCCCCCC 240690a_100000212058_100000211969 [1,1,0,0,0,0|1,0,1]=4 3416 B12R0.206 C#CCNC(=O)CCCCCCC 527a_100000212058_100000211969 [1,1,0,0,0,0|1,0,1]=4 3417 B12R0.206 C/C=C/CC(=O)CCCCCCC 1458a_100000211969_100102629194 [1,1,0,0,0,0|1,0,1]=4 3418 B12R0.206 C=C(COCCCCC)OCOC 34a_100000210253_100000042856 [1,1,0,0,0,0|2,0,0]=4 3419 B12R0.206 C=C(CSCCCCC)OCOC 62a_100000042856_100000210326 [1,1,0,0,0,0|2,0,0]=4 3420 B12R0.206 C=C(CSCCCCC)OCOC 62a_100000210326_100000042856 [1,1,0,0,0,0|2,0,0]=4 3421 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000211969_100000754431 [1,1,0,0,0,0|1,0,1]=4 3422 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000749702_100000210614 [1,1,0,0,0,0|1,0,1]=4 3423 B12R0.206 C=CCCCCCC(=O)COCC 1458a_100000211967_100000700193 [1,1,0,0,0,0|0,0,2]=4 3424 B12R0.206 C=CCNC(=O)CCCCCCC 1626a_100020586998_100000211969 [1,1,0,0,0,0|1,0,1]=4 3425 B12R0.206 C=CCNC(=O)CCCCCCC 240690a_100020586998_100000211969 [1,1,0,0,0,0|1,0,1]=4 3426 B12R0.206 C=CCNC(=O)CCCCCCC 527a_100020586998_100000211969 [1,1,0,0,0,0|1,0,1]=4 3427 B12R0.206 C=CCOC(=O)CNCCCCC 2230a_100000209983_100000033060 [1,1,0,0,0,0|1,0,1]=4 3428 B12R0.206 C=CCOC(=O)COCCCCC 34a_100000210253_100000033060 [1,1,0,0,0,0|1,0,1]=4 3429 B12R0.206 C=CCOC(=O)COCCCCC 7a_100000210253_100000033060 [1,1,0,0,0,0|1,0,1]=4 3430 B12R0.206 C=CCOC(=O)CSCCCCC 62a_100000033060_100000210326 [1,1,0,0,0,0|1,0,1]=4 3431 B12R0.206 C=CCOC(=O)CSCCCCC 62a_100000210326_100000033060 [1,1,0,0,0,0|1,0,1]=4 3432 B12R0.206 CC#CCC(=O)CCCCCCC 1458a_100000211969_100000748600 [1,1,0,0,0,0|1,0,1]=4 3433 B12R0.206 CC=CCC(=O)CCCCCCC 1458a_100000211969_100000070051 [1,1,0,0,0,0|1,0,1]=4 3434 B12R0.206 CC=CCC(=O)CCCCCCC 1458a_100121576822_100000210614 [1,1,0,0,0,0|1,0,1]=4 3435 B12R0.206 CC=NNC(=O)CCCCCCC 4a_100000181853_200000210099 [1,1,0,0,0,0|1,0,1]=4 3436 B12R0.206 CCC#CC(=O)CCCCCCC 1458a_100011827653_100000210614 [1,1,0,0,0,0|1,0,0]=3 3437 B12R0.206 CCC#CC(=O)CCCCCCF 1458a_100011827653_100015922095 [1,1,0,0,0,0|2,0,0]=4 3438 B12R0.206 CCC#CC(=O)CCCCCCO 1458a_100011827653_100000766143 [1,1,0,0,0,0|2,0,0]=4 3439 B12R0.206 CCC#CC(=O)CCOCCCC 1458a_100011827653_100000743108 [1,1,0,0,0,0|2,0,0]=4 3440 B12R0.206 CCC=CC(=O)CCCCCCC 1458a_100000212282_100000210614 [1,1,0,0,0,0|1,0,0]=3 3441 B12R0.206 CCC=CC(=O)CCCCCCF 1458a_100000212282_100015922095 [1,1,0,0,0,0|2,0,0]=4 3442 B12R0.206 CCC=CC(=O)CCCCCCO 1458a_100000212282_100000766143 [1,1,0,0,0,0|2,0,0]=4 3443 B12R0.206 CCC=CC(=O)CCOCCCC 1458a_100000212282_100000743108 [1,1,0,0,0,0|2,0,0]=4 3444 B12R0.206 CCC=CC(=O)NCCCCCC 11a_100000210581_100000212282 [1,1,0,0,0,0|2,0,0]=4 3445 B12R0.206 CCC=CC(=O)NCCCCCC 1626a_100000210581_100000212282 [1,1,0,0,0,0|2,0,0]=4 3446 B12R0.206 CCC=CC(=O)NCCCCCC 240690a_100000210581_100000212282 [1,1,0,0,0,0|2,0,0]=4 3447 B12R0.206 CCCCC(=O)CCCCCCF 1458a_100000210183_100015922095 [1,1,0,0,0,0|2,0,0]=4 3448 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100000210183_100000766143 [1,1,0,0,0,0|2,0,0]=4 3449 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100011996774_100000210211 [1,1,0,0,0,0|2,0,0]=4 3450 B12R0.206 CCCCC(=O)CCCCCOC 1458a_100011935119_100000210211 [1,1,0,0,0,0|2,0,0]=4 3451 B12R0.206 CCCCCCCC(=NNCC)C 4a_100000756455_100000210596 [1,1,0,0,0,0|2,0,0]=4 3452 B12R0.206 CCCCCCCC(=O)C#CCO 1458a_100000049017_100000210614 [1,1,0,0,0,0|1,0,1]=4 3453 B12R0.206 CCCCCCCC(=O)C=COC 1458a_100016268678_100000210614 [1,1,0,0,0,0|1,0,1]=4 3454 B12R0.206 CCCCCCCC(=O)CCC#N 1458a_100000211969_100011215226 [1,1,0,0,0,0|1,0,1]=4 3455 B12R0.206 CCCCCCCC(=O)CCC#N 1458a_100011934036_100000210614 [1,1,0,0,0,0|1,0,1]=4 3456 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000210183_100000210614 [1,1,0,0,0,0|1,0,0]=3 3457 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000211969_100000210211 [1,1,0,0,0,0|1,0,0]=3 3458 B12R0.206 CCCCCCCC(=O)CCCF 1458a_100000211969_100011934791 [1,1,0,0,0,0|1,0,0]=3 3459 B12R0.206 CCCCCCCC(=O)CCCO 1458a_100000211969_100011215043 [1,1,0,0,0,0|1,0,0]=3 3460 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000211969_100000233755 [1,1,0,0,0,0|1,0,0]=3 3461 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000749529_100000210614 [1,1,0,0,0,0|1,0,0]=3 3462 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000174002_100000210614 [1,1,0,0,0,0|1,0,0]=3 3463 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000211969_100000751147 [1,1,0,0,0,0|1,0,0]=3 3464 B12R0.206 CCCCCCCC(=O)COCC 1458a_100000211967_100000210614 [1,1,0,0,0,0|0,0,0]=2 3465 B12R0.206 CCCCCCCC(=O)CSCC 1458a_100000230394_100000210614 [1,1,0,0,0,0|0,1,0]=3 3466 B12R0.206 CCCCCCCC(=O)NCC#N 1626a_100000734998_100000211969 [1,1,0,0,0,0|1,0,1]=4 3467 B12R0.206 CCCCCCCC(=O)NCC#N 527a_100000734998_100000211969 [1,1,0,0,0,0|1,0,1]=4 3468 B12R0.206 CCCCCCCC(=O)NCCC 11a_100020643023_100000211969 [1,1,0,0,0,0|1,0,0]=3 3469 B12R0.206 CCCCCCCC(=O)NCCC 1626a_100020643023_100000211969 [1,1,0,0,0,0|1,0,0]=3 3470 B12R0.206 CCCCCCCC(=O)NCCC 240690a_100020643023_100000211969 [1,1,0,0,0,0|1,0,0]=3 3471 B12R0.206 CCCCCCCC(=O)NCCC 527a_100020643023_100000211969 [1,1,0,0,0,0|1,0,0]=3 3472 B12R0.206 CCCCCCCC(=O)NCCF 11a_100000724931_100000211969 [1,1,0,0,0,0|1,0,0]=3 3473 B12R0.206 CCCCCCCC(=O)NCCF 1626a_100000724931_100000211969 [1,1,0,0,0,0|1,0,0]=3 3474 B12R0.206 CCCCCCCC(=O)NCCF 240690a_100000724931_100000211969 [1,1,0,0,0,0|1,0,0]=3 3475 B12R0.206 CCCCCCCC(=O)NCCF 527a_100000724931_100000211969 [1,1,0,0,0,0|1,0,0]=3 3476 B12R0.206 CCCCCCCC(=O)NCCO 240690a_100000210304_100000211969 [1,1,0,0,0,0|1,0,0]=3 3477 B12R0.206 CCCCCCCC(=O)NCCO 527a_100000210304_100000211969 [1,1,0,0,0,0|1,0,0]=3 3478 B12R0.206 CCCCCCCC(=O)NNCC 22a_100000756455_100000211969 [1,1,0,0,0,0|1,0,0]=3 3479 B12R0.206 CCCCCCCC(=O)OCNC 2230a_106832991635_100009852258 [1,1,0,0,0,0|0,0,0]=2 3480 B12R0.206 CCCCCCCC(=O)OCNC 34a_100102657272_100009852258 [1,1,0,0,0,0|0,0,0]=2 3481 B12R0.206 CCCCCCCC(=O)OCNC 7a_106832991635_100009852258 [1,1,0,0,0,0|0,0,0]=2 3482 B12R0.206 CCCCCCCC(=O)OCOC 34a_100138415774_100009852258 [1,1,0,0,0,0|0,0,0]=2 3483 B12R0.206 CCCCCCCC(=O)OCSC 62a_200000210301_100009852258 [1,1,0,0,0,0|0,0,0]=2 3484 B12R0.206 CCCCCCCC(=O)OCS[13CH3] 62a_200025704644_100009852258 [1,1,0,0,0,0|0,0,0]=2 3485 B12R0.206 CCCCCCCC(C)OCCBr 34a_100000211926_200011218727 [1,1,0,0,0,0|1,0,1]=4 3486 B12R0.206 CCCCCCCC(C)OCCC 34a_100000210258_200011218727 [1,1,0,0,0,0|1,0,1]=4 3487 B12R0.206 CCCCCCCC(C)OCCC 34a_200011215852_100000210303 [1,1,0,0,0,0|1,0,1]=4 3488 B12R0.206 CCCCCCCC(C)OCCC 7a_200011215852_100000210303 [1,1,0,0,0,0|1,0,1]=4 3489 B12R0.206 CCCCCCCC(C)OCCF 34a_200011215852_100011217306 [1,1,0,0,0,0|1,0,1]=4 3490 B12R0.206 CCCCCCCC(C)OCCF 7a_200011215852_100011217306 [1,1,0,0,0,0|1,0,1]=4 3491 B12R0.206 CCCCCCCC(C)OCCN 34a_100000210304_200011218727 [1,1,0,0,0,0|1,0,1]=4 3492 B12R0.206 CCCCCCCC(C)OCCO 34a_200011215852_100000211926 [1,1,0,0,0,0|1,0,1]=4 3493 B12R0.206 CCCCCCCC(C)OCCO 7a_200011215852_100000211926 [1,1,0,0,0,0|1,0,1]=4 3494 B12R0.206 CCCCCCCC(C)OCSC 34a_200011215852_100011218213 [1,1,0,0,0,0|1,0,1]=4 3495 B12R0.206 CCCCCCCN(C)COCC 269982a_100000228206_100000739092 [1,1,0,0,0,0|2,0,0]=4 3496 B12R0.206 CCCCCCNC(=O)CCCC 11a_100000210581_100000210183 [1,1,0,0,0,0|2,0,0]=4 3497 B12R0.206 CCCCCCNC(=O)CCCC 1626a_100000210581_100000210183 [1,1,0,0,0,0|2,0,0]=4 3498 B12R0.206 CCCCCCNC(=O)CCCC 240690a_100000210581_100000210183 [1,1,0,0,0,0|2,0,0]=4 3499 B12R0.206 CCCCCCNC(=O)CCCC 527a_100000210581_100000210183 [1,1,0,0,0,0|2,0,0]=4 3500 B12R0.206 CCCCCCNC(=O)CCOC 11a_100000210581_100000749529 [1,1,0,0,0,0|2,0,0]=4 3501 B12R0.206 CCCCCCNC(=O)CCOC 1626a_100000210581_100000749529 [1,1,0,0,0,0|2,0,0]=4 3502 B12R0.206 CCCCCCNC(=O)CCOC 240690a_100000210581_100000749529 [1,1,0,0,0,0|2,0,0]=4 3503 B12R0.206 CCCCCCNC(=O)CCOC 527a_100000210581_100000749529 [1,1,0,0,0,0|2,0,0]=4 3504 B12R0.206 CCCCCCNC(=O)CCSC 11a_100000210581_100000174002 [1,1,0,0,0,0|2,0,0]=4 3505 B12R0.206 CCCCCCNC(=O)CCSC 1626a_100000210581_100000174002 [1,1,0,0,0,0|2,0,0]=4 3506 B12R0.206 CCCCCCNC(=O)CCSC 240690a_100000210581_100000174002 [1,1,0,0,0,0|2,0,0]=4 3507 B12R0.206 CCCCCCNC(=O)CCSC 527a_100000210581_100000174002 [1,1,0,0,0,0|2,0,0]=4 3508 B12R0.206 CCCCCCNC(=O)CNCC 2230a_100015525214_100000230325 [1,1,0,0,0,0|2,0,0]=4 3509 B12R0.206 CCCCCCNC(=O)COCC 11a_100000210581_100000211967 [1,1,0,0,0,0|1,0,0]=3 3510 B12R0.206 CCCCCCNC(=O)COCC 1626a_100000210581_100000211967 [1,1,0,0,0,0|1,0,0]=3 3511 B12R0.206 CCCCCCNC(=O)COCC 240690a_100000210581_100000211967 [1,1,0,0,0,0|1,0,0]=3 3512 B12R0.206 CCCCCCNC(=O)COCC 34a_100121572206_100000230325 [1,1,0,0,0,0|1,0,0]=3 3513 B12R0.206 CCCCCCNC(=O)COCC 527a_100000210581_100000211967 [1,1,0,0,0,0|1,0,0]=3 3514 B12R0.206 CCCCCCNC(=O)CSCC 11a_100000210581_100000230394 [1,1,0,0,0,0|1,1,0]=4 3515 B12R0.206 CCCCCCNC(=O)CSCC 1626a_100000210581_100000230394 [1,1,0,0,0,0|1,1,0]=4 3516 B12R0.206 CCCCCCNC(=O)CSCC 240690a_100000210581_100000230394 [1,1,0,0,0,0|1,1,0]=4 3517 B12R0.206 CCCCCCNC(=O)CSCC 527a_100000210581_100000230394 [1,1,0,0,0,0|1,1,0]=4 3518 B12R0.206 CCCCCCNC(=O)CSCC 62a_100000230325_100000210202 [1,1,0,0,0,0|1,1,0]=4 3519 B12R0.206 CCCCCCNC(=O)NCCC 2708a_100000210581_100020643023 [1,1,0,0,0,0|2,0,0]=4 3520 B12R0.206 CCCCCCNC(=O)NCCC 2708a_100020643023_100000210581 [1,1,0,0,0,0|2,0,0]=4 3521 B12R0.206 CCCCCCNC(=O)NCCC 273464a_100000210581_100020643023 [1,1,0,0,0,0|2,0,0]=4 3522 B12R0.206 CCCCCCNC(=O)NCCC 273464a_100020643023_100000210581 [1,1,0,0,0,0|2,0,0]=4 3523 B12R0.206 CCCCCCNC(=O)NCCC 512a_100000210581_100020643023 [1,1,0,0,0,0|2,0,0]=4 3524 B12R0.206 CCCCCCNC(=O)NCCC 512a_100020643023_100000210581 [1,1,0,0,0,0|2,0,0]=4 3525 B12R0.206 CCCCCCNC(=O)NCCF 2708a_100000210581_100000724931 [1,1,0,0,0,0|2,0,0]=4 3526 B12R0.206 CCCCCCNC(=O)NCCF 273464a_100000210581_100000724931 [1,1,0,0,0,0|2,0,0]=4 3527 B12R0.206 CCCCCCNC(=O)NCCF 273464a_100000724931_100000210581 [1,1,0,0,0,0|2,0,0]=4 3528 B12R0.206 CCCCCCNC(=O)NCCF 512a_100000210581_100000724931 [1,1,0,0,0,0|2,0,0]=4 3529 B12R0.206 CCCCCCNC(=O)NCCO 2708a_100000210581_100000210304 [1,1,0,0,0,0|2,0,0]=4 3530 B12R0.206 CCCCCCNC(=O)NCCO 273464a_100000210304_100000210581 [1,1,0,0,0,0|2,0,0]=4 3531 B12R0.206 CCCCCCNC(=O)NCCO 273464a_100000210581_100000210304 [1,1,0,0,0,0|2,0,0]=4 3532 B12R0.206 CCCCCCNC(=O)NCCO 512a_100000210581_100000210304 [1,1,0,0,0,0|2,0,0]=4 3533 B12R0.206 CCCCCCNC(=O)NNCC 273464a_100000210581_100000756455 [1,1,0,0,0,0|2,0,0]=4 3534 B12R0.206 CCCCCCNC(=O)NNCC 512a_100000210581_100000756455 [1,1,0,0,0,0|2,0,0]=4 3535 B12R0.206 CCCCCCNC(=O)NNCC 512a_100000756455_100000210581 [1,1,0,0,0,0|2,0,0]=4 3536 B12R0.206 CCCCCNCC(=O)NCCC 2230a_100000174927_100000210326 [1,1,0,0,0,0|2,0,0]=4 3537 B12R0.206 CCCCCNCC(=O)NCCC 2230a_100000209983_100000183358 [1,1,0,0,0,0|2,0,0]=4 3538 B12R0.206 CCCCCNCC(=O)NCCF 2230a_100000725713_100000210326 [1,1,0,0,0,0|2,0,0]=4 3539 B12R0.206 CCCCCNCC(=O)OCCC 2230a_100000209983_200011215008 [1,1,0,0,0,0|1,0,0]=3 3540 B12R0.206 CCCCCNNC(=O)COCC 22a_100000694160_100000211967 [1,1,0,0,0,0|2,0,0]=4 3541 B12R0.206 CCCCCOCC(=O)NCCC 34a_100000210253_100000183358 [1,1,0,0,0,0|2,0,0]=4 3542 B12R0.206 CCCCCOCC(=O)NCCC 7a_100000210253_100000183358 [1,1,0,0,0,0|2,0,0]=4 3543 B12R0.206 CCCCCOCC(=O)OCCC 34a_100000210253_200011215008 [1,1,0,0,0,0|1,0,0]=3 3544 B12R0.206 CCCCCOCC(=O)OCCC 7a_100000210253_200011215008 [1,1,0,0,0,0|1,0,0]=3 3545 B12R0.206 CCCCCSCC(=O)NCCC 62a_100000183358_100000210326 [1,1,0,0,0,0|2,0,0]=4 3546 B12R0.206 CCCCCSCC(=O)NCCC 62a_100000210326_100000183358 [1,1,0,0,0,0|2,0,0]=4 3547 B12R0.206 CCCCCSCC(=O)OCCC 62a_100000210326_200011215008 [1,1,0,0,0,0|1,0,0]=3 3548 B12R0.206 CCCCCSCC(=O)OCCC 62a_200011215008_100000210326 [1,1,0,0,0,0|1,0,0]=3 3549 B12R0.206 CCCCNCOC(=O)OCCC 7a_106832991798_200000139673 [1,1,0,0,0,0|2,0,0]=4 3550 B12R0.206 CCCCOCCC(=O)CCCC 1458a_100000210183_100000743108 [1,1,0,0,0,0|2,0,0]=4 3551 B12R0.206 CCCCOCCC(=O)CCOC 1458a_100000749529_100000743108 [1,1,0,0,0,0|2,0,0]=4 3552 B12R0.206 CCCCOCCC(=O)CCSC 1458a_100000174002_100000743108 [1,1,0,0,0,0|2,0,0]=4 3553 B12R0.206 CCCCOCCC(=O)COCC 1458a_100000211967_100000743108 [1,1,0,0,0,0|1,0,0]=3 3554 B12R0.206 CCCCOCCC(=O)CSCC 1458a_100000230394_100000743108 [1,1,0,0,0,0|1,1,0]=4 3555 B12R0.206 CCCCOCOC(=O)OCCC 34a_100000210227_200000139673 [1,1,0,0,0,0|2,0,0]=4 3556 B12R0.206 CCCCOCOC(=O)OCCC 7a_100000210227_200000139673 [1,1,0,0,0,0|2,0,0]=4 3557 B12R0.206 CCCCSCOC(=O)OCCC 62a_100000210211_200000139673 [1,1,0,0,0,0|2,0,0]=4 3558 B12R0.206 CCCNC(=O)CCCCCCO 240690a_100020643023_100011996774 [1,1,0,0,0,0|2,0,0]=4 3559 B12R0.206 CCCNC(=O)CCCCCOC 11a_100020643023_100011935119 [1,1,0,0,0,0|2,0,0]=4 3560 B12R0.206 CCCNC(=O)CCCCCOC 1626a_100020643023_100011935119 [1,1,0,0,0,0|2,0,0]=4 3561 B12R0.206 CCCNC(=O)CCCCCOC 240690a_100020643023_100011935119 [1,1,0,0,0,0|2,0,0]=4 3562 B12R0.206 CCCNC(=O)CCCCCOC 527a_100020643023_100011935119 [1,1,0,0,0,0|2,0,0]=4 3563 B12R0.206 CCCNC(=O)CCCSCCC 62a_100000210303_100011194427 [1,1,0,0,0,0|2,0,0]=4 3564 B12R0.206 CCCNC(=O)CCCSCCC 62a_100011194427_100000210303 [1,1,0,0,0,0|2,0,0]=4 3565 B12R0.206 CCCOC(=O)CNCCCCO 2230a_100000750430_200011215008 [1,1,0,0,0,0|2,0,0]=4 3566 B12R0.206 CCCOC(=O)CNCCCCO 34a_100000750430_200011215008 [1,1,0,0,0,0|2,0,0]=4 3567 B12R0.206 CCCOC(=O)CNCCCOC 34a_100150723488_200011215008 [1,1,0,0,0,0|2,0,0]=4 3568 B12R0.206 CCCOC(=O)CNCCCSC 2230a_100000749238_200011215008 [1,1,0,0,0,0|2,0,0]=4 3569 B12R0.206 CCCOC(=O)CNCCOCC 2230a_102516460346_200011215008 [1,1,0,0,0,0|2,0,0]=4 3570 B12R0.206 CCCOC(=O)CNCCOCC 34a_102516460346_200011215008 [1,1,0,0,0,0|2,0,0]=4 3571 B12R0.206 CCCOC(=O)CNCCSCC 2230a_100000106463_200011215008 [1,1,0,0,0,0|2,0,0]=4 3572 B12R0.206 CCCOC(=O)COCCCCBr 34a_100011216708_200011215008 [1,1,0,0,0,0|2,0,0]=4 3573 B12R0.206 CCCOC(=O)COCCCCCl 34a_100000210776_200011215008 [1,1,0,0,0,0|2,0,0]=4 3574 B12R0.206 CCCOC(=O)COCCCCCl 7a_100000210776_200011215008 [1,1,0,0,0,0|2,0,0]=4 3575 B12R0.206 CCCOC(=O)COCCCCF 34a_100011995726_200011215008 [1,1,0,0,0,0|2,0,0]=4 3576 B12R0.206 CCCOC(=O)COCCCCF 7a_100011995726_200011215008 [1,1,0,0,0,0|2,0,0]=4 3577 B12R0.206 CCCOC(=O)COCCCCI 34a_200012148704_200011215008 [1,1,0,0,0,0|2,0,0]=4 3578 B12R0.206 CCCOC(=O)COCCCCN 34a_100000750430_200011215008 [1,1,0,0,0,0|2,0,0]=4 3579 B12R0.206 CCCOC(=O)COCCCNC 34a_100000213112_200011215008 [1,1,0,0,0,0|2,0,0]=4 3580 B12R0.206 CCCOC(=O)COCCCOC 34a_100000740835_200011215008 [1,1,0,0,0,0|2,0,0]=4 3581 B12R0.206 CCCOC(=O)COCCCSC 34a_100000690336_200011215008 [1,1,0,0,0,0|2,0,0]=4 3582 B12R0.206 CCCOC(=O)COCCCSC 7a_100000690336_200011215008 [1,1,0,0,0,0|2,0,0]=4 3583 B12R0.206 CCCOC(=O)COCCOCC 34a_100000210136_200011215008 [1,1,0,0,0,0|2,0,0]=4 3584 B12R0.206 CCCOC(=O)COCCOCC 7a_100000210136_200011215008 [1,1,0,0,0,0|2,0,0]=4 3585 B12R0.206 CCCOC(=O)COCCSCC 34a_100000212035_200011215008 [1,1,0,0,0,0|2,0,0]=4 3586 B12R0.206 CCCOC(=O)COCCSCC 7a_100000212035_200011215008 [1,1,0,0,0,0|2,0,0]=4 3587 B12R0.206 CCCOC(=O)CSCCCCF 62a_100000729493_200011215008 [1,1,0,0,0,0|2,0,0]=4 3588 B12R0.206 CCCOC(=O)CSCCCCF 62a_200011215008_100000729493 [1,1,0,0,0,0|2,0,0]=4 3589 B12R0.206 CCCOC(=O)CSCCCCO 62a_100000210776_200011215008 [1,1,0,0,0,0|2,0,0]=4 3590 B12R0.206 CCCOC(=O)CSCCCCO 62a_200011215008_100000210776 [1,1,0,0,0,0|2,0,0]=4 3591 B12R0.206 CCCOC(=O)CSCCCOC 62a_100000709357_200011215008 [1,1,0,0,0,0|2,0,0]=4 3592 B12R0.206 CCCOC(=O)CSCCCOC 62a_200011215008_100000709357 [1,1,0,0,0,0|2,0,0]=4 3593 B12R0.206 CCCOC(=O)CSCCOCC 62a_100000210147_200011215008 [1,1,0,0,0,0|2,0,0]=4 3594 B12R0.206 CCCOC(=O)CSCCOCC 62a_200011215008_100011215890 [1,1,0,0,0,0|2,0,0]=4 3595 B12R0.206 CCCOC(=O)CSCCSCC 62a_100000757381_200011215008 [1,1,0,0,0,0|2,0,0]=4 3596 B12R0.206 CCCOC(=O)CSCCSCC 62a_200011215008_100000757381 [1,1,0,0,0,0|2,0,0]=4 3597 B12R0.206 CCCOCCNC(=O)COCC 1626a_100161115042_100000211967 [1,1,0,0,0,0|2,0,0]=4 3598 B12R0.206 CCCOCCNC(=O)COCC 240690a_100161115042_100000211967 [1,1,0,0,0,0|2,0,0]=4 3599 B12R0.206 CCCOCCNC(=O)COCC 527a_100161115042_100000211967 [1,1,0,0,0,0|2,0,0]=4 3600 B12R0.206 CCCSCCNC(=O)COCC 11a_100020603323_100000211967 [1,1,0,0,0,0|2,0,0]=4 3601 B12R0.206 CCCSCCNC(=O)COCC 240690a_100020603323_100000211967 [1,1,0,0,0,0|2,0,0]=4 3602 B12R0.206 CCCSCCNC(=O)COCC 527a_100020603323_100000211967 [1,1,0,0,0,0|2,0,0]=4 3603 B12R0.206 CCNNC(=O)CCCCCOC 22a_100000756455_100011935119 [1,1,0,0,0,0|2,0,0]=4 3604 B12R0.206 CCOCC(=O)CCCCCC#N 1458a_100000211967_100009813376 [1,1,0,0,0,0|1,0,1]=4 3605 B12R0.206 CCOCC(=O)CCCCCCF 1458a_100000211967_100015922095 [1,1,0,0,0,0|1,0,0]=3 3606 B12R0.206 CCOCC(=O)CCCCCCO 1458a_100000211967_100000766143 [1,1,0,0,0,0|1,0,0]=3 3607 B12R0.206 CCOCC(=O)CCOCCOC 1458a_100000211967_100000695917 [1,1,0,0,0,0|2,0,0]=4 3608 B12R0.206 CCOCC(=O)NCCCCCO 240690a_100000762737_100000211967 [1,1,0,0,0,0|2,0,0]=4 3609 B12R0.206 CCOCCCNC(=O)COCC 11a_100000210961_100000211967 [1,1,0,0,0,0|2,0,0]=4 3610 B12R0.206 CCOCCCNC(=O)COCC 1626a_100000210961_100000211967 [1,1,0,0,0,0|2,0,0]=4 3611 B12R0.206 CCOCCCNC(=O)COCC 240690a_100000210961_100000211967 [1,1,0,0,0,0|2,0,0]=4 3612 B12R0.206 CCOCCCNC(=O)COCC 527a_100000210961_100000211967 [1,1,0,0,0,0|2,0,0]=4 3613 B12R0.206 CCSCC(=O)CCCCCCF 1458a_100000230394_100015922095 [1,1,0,0,0,0|1,1,0]=4 3614 B12R0.206 CCSCC(=O)CCCCCCO 1458a_100000230394_100000766143 [1,1,0,0,0,0|1,1,0]=4 3615 B12R0.206 COCCC(=O)CCCCCCF 1458a_100000749529_100015922095 [1,1,0,0,0,0|2,0,0]=4 3616 B12R0.206 COCCC(=O)CCCCCCO 1458a_100000749529_100000766143 [1,1,0,0,0,0|2,0,0]=4 3617 B12R0.206 COCCC(=O)CCCCCCO 1458a_100011996774_100000233755 [1,1,0,0,0,0|2,0,0]=4 3618 B12R0.206 COCCCCCC(=O)CCCF 1458a_100011935119_100011934791 [1,1,0,0,0,0|2,0,0]=4 3619 B12R0.206 COCCCCCC(=O)CCCO 1458a_100011935119_100011215043 [1,1,0,0,0,0|2,0,0]=4 3620 B12R0.206 COCCCCCC(=O)CCOC 1458a_100011935119_100000233755 [1,1,0,0,0,0|2,0,0]=4 3621 B12R0.206 COCCCCCC(=O)CCSC 1458a_100011935119_100000751147 [1,1,0,0,0,0|2,0,0]=4 3622 B12R0.206 COCCCCCC(=O)NCCF 11a_100000724931_100011935119 [1,1,0,0,0,0|2,0,0]=4 3623 B12R0.206 COCCCCCC(=O)NCCF 1626a_100000724931_100011935119 [1,1,0,0,0,0|2,0,0]=4 3624 B12R0.206 COCCCCCC(=O)NCCF 240690a_100000724931_100011935119 [1,1,0,0,0,0|2,0,0]=4 3625 B12R0.206 COCCCCCC(=O)NCCF 527a_100000724931_100011935119 [1,1,0,0,0,0|2,0,0]=4 3626 B12R0.206 COCCCCCC(=O)NCCO 240690a_100000210304_100011935119 [1,1,0,0,0,0|2,0,0]=4 3627 B12R0.206 COCCCCCC(=O)NCCO 527a_100000210304_100011935119 [1,1,0,0,0,0|2,0,0]=4 3628 B12R0.206 CSCCC(=O)CCCCCCF 1458a_100000174002_100015922095 [1,1,0,0,0,0|2,0,0]=4 3629 B12R0.206 CSCCC(=O)CCCCCCO 1458a_100000174002_100000766143 [1,1,0,0,0,0|2,0,0]=4 3630 B12R0.206 CSCCC(=O)CCCCCCO 1458a_100011996774_100000751147 [1,1,0,0,0,0|2,0,0]=4 3631 B12R0.206 O=C(CCCCCCO)NCCF 240690a_100000724931_100011996774 [1,1,0,0,0,0|2,0,0]=4 3632 B12R0.206 O=C(CCCCCCO)NCCO 240690a_100000210304_100011996774 [1,1,0,0,0,0|2,0,0]=4 3633 B12R0.206 O=C(CCCF)CCCCCCO 1458a_100011996774_100011934791 [1,1,0,0,0,0|2,0,0]=4 3634 B12R0.206 O=C(CCCO)CCCCCCO 1458a_100011996774_100011215043 [1,1,0,0,0,0|2,0,0]=4 3635 B12R0.276 CCCC(=O)CNCCC(C)CC 2230a_100020591266_100000747444 [1,1,0,0,0,0|2,0,0]=4 3636 B12R0.276 CCCC(=O)COCCC(C)CC 7a_100011215188_100000747444 [1,1,0,0,0,0|2,0,0]=4 3637 B12R0.276 CCNC(=O)CCNCC(C)CC 2230a_100020588543_100000737597 [1,1,0,0,0,0|2,0,0]=4 3638 B12R0.276 CCNC(=O)CCNCC(C)CC 270004a_100025743525_100000243153 [1,1,0,0,0,0|2,0,0]=4 3639 B12R0.276 CCNC(=O)CCNCC(C)CC 34a_100025743525_100000748023 [1,1,0,0,0,0|2,0,0]=4 3640 B12R0.276 CCNC(=O)CCNCC(O)CC 2230a_100011218483_100000737597 [1,1,0,0,0,0|2,0,0]=4 3641 B12R0.276 CCNC(=O)CCNCC(O)CC 34a_100025743525_100011218378 [1,1,0,0,0,0|2,0,0]=4 3642 B12R0.276 CCNC(=O)CCNC[C@@H](C)CC 34a_100025743525_100009816398 [1,1,0,0,0,0|2,0,0]=4 3643 B12R0.276 CCNC(=O)CCOC[C@@H](C)CC 7a_100009816381_100000737597 [1,1,0,0,0,0|2,0,0]=4 3644 B12R0.276 CCNC(=O)CCSCC(C)CC 62a_100000737597_100000748023 [1,1,0,0,0,0|2,0,0]=4 3645 B12R0.276 CCNC(=O)CCSCC(C)CC 62a_100000748023_100000737597 [1,1,0,0,0,0|2,0,0]=4 3646 B12R0.276 CCNC(=O)CCSCC(O)CC 62a_100000737597_100011218378 [1,1,0,0,0,0|2,0,0]=4 3647 B12R0.276 CCNC(=O)CCSCC(O)CC 62a_100011218378_100000737597 [1,1,0,0,0,0|2,0,0]=4 3648 B12R0.276 CCNC(=O)CCSC[C@@H](C)CC 62a_100000737597_100009816398 [1,1,0,0,0,0|2,0,0]=4 3649 B12R0.276 CCNC(=O)CCSC[C@@H](C)CC 62a_100009816398_100000737597 [1,1,0,0,0,0|2,0,0]=4 3650 B12R0.276 CCNC(=O)CNCCC(C)CC 2230a_100020591266_100000183381 [1,1,0,0,0,0|2,0,0]=4 3651 B12R0.276 CCNC(=O)COCCC(C)CC 7a_100011215188_100000183381 [1,1,0,0,0,0|2,0,0]=4 3652 B12R0.276 CCOC(=O)CCCCC(=O)CC 1458a_100000210414_100000750268 [1,1,0,0,0,0|0,0,1]=3 3653 B12R0.276 CCOC(=O)CCCCC(=O)CC 1458a_100011217402_100000210202 [1,1,0,0,0,0|0,0,1]=3 3654 B12R0.276 CCOC(=O)CCCCC(=O)CF 1458a_100011217402_100015361967 [1,1,0,0,0,0|1,0,1]=4 3655 B12R0.276 CCOC(=O)CCCCC(=O)CO 1458a_100000210174_100000750268 [1,1,0,0,0,0|1,0,1]=4 3656 B12R0.276 CCOC(=O)CCCCC(=O)NC 11a_106832991635_100011217402 [1,1,0,0,0,0|1,0,1]=4 3657 B12R0.276 CCOC(=O)CCCCC(=O)NC 1626a_100102657272_100011217402 [1,1,0,0,0,0|1,0,1]=4 3658 B12R0.276 CCOC(=O)CCCCC(=O)NC 240690a_100102657272_100011217402 [1,1,0,0,0,0|1,0,1]=4 3659 B12R0.276 CCOC(=O)CCCCC(=O)NC 527a_100102657272_100011217402 [1,1,0,0,0,0|1,0,1]=4 3660 B12R0.276 CCOC(=O)CCCCN(C)CC 2230a_100000225621_100000750268 [1,1,0,0,0,0|1,0,0]=3 3661 B12R0.276 CCOC(=O)CCCCN(C)CC 269982a_100000225621_100000750268 [1,1,0,0,0,0|1,0,0]=3 3662 B12R0.276 CCOC(=O)CCCNC(=O)CC 188690a_100000211256_100000210414 [1,1,0,0,0,0|1,0,1]=4 3663 B12R0.276 CCOC(=O)CCCNC(C)CC 2230a_100000209981_100009991533 [1,1,0,0,0,0|1,0,0]=3 3664 B12R0.276 CCOC(=O)CCCN[C@H](C)CO 2230a_100000737577_100009991533 [1,1,0,0,0,0|2,0,0]=4 3665 B12R0.276 CCOC(=O)CCCOC(C)CC 7a_100000210228_100011215271 [1,1,0,0,0,0|1,0,0]=3 3666 B12R0.276 CCOC(=O)CCCOC(C)CC 7a_100012001163_100000758301 [1,1,0,0,0,0|1,0,0]=3 3667 B12R0.276 CCOC(=O)CCCOC(C)CF 34a_100016041109_100009991533 [1,1,0,0,0,0|2,0,0]=4 3668 B12R0.276 CCOC(=O)CCCOC(C)CF 7a_100016041109_100011215271 [1,1,0,0,0,0|2,0,0]=4 3669 B12R0.276 CCOC(=O)CCCOC(C)CN 34a_100000210904_100009991533 [1,1,0,0,0,0|2,0,0]=4 3670 B12R0.276 CCOC(=O)CCCOC(C)CO 7a_100012001163_100012180447 [1,1,0,0,0,0|2,0,0]=4 3671 B12R0.276 CCOC(=O)CCCSC(C)CC 62a_100000758301_100009991533 [1,1,0,0,0,0|1,0,0]=3 3672 B12R0.276 CCOC(=O)CCCSC(C)CC 62a_100009991533_100000758301 [1,1,0,0,0,0|1,0,0]=3 3673 B12R0.276 CCOC(=O)CCCSC(C)CO 62a_100012180447_100009991533 [1,1,0,0,0,0|2,0,0]=4 3674 B12R0.276 CCOC(=O)CCCSC(C)OC 62a_100009879195_100009991533 [1,1,0,0,0,0|2,0,0]=4 3675 B12R0.276 CCOC(=O)CCCSC(C)OC 62a_100009991533_100009879195 [1,1,0,0,0,0|2,0,0]=4 3676 B12R0.276 CCOC(=O)CCCS[C@H](C)CO 62a_100009991533_100016084084 [1,1,0,0,0,0|2,0,0]=4 3677 B12R0.276 CCOC(=O)CCCS[C@H](C)CO 62a_100016084084_100009991533 [1,1,0,0,0,0|2,0,0]=4 3678 B12R0.276 CCOC(=O)CCNCC(C)CC 2230a_100020588543_100011206558 [1,1,0,0,0,0|1,0,0]=3 3679 B12R0.276 CCOC(=O)CCNCC(C)CO 34a_100000744482_100000765890 [1,1,0,0,0,0|2,0,0]=4 3680 B12R0.276 CCOC(=O)CCNCC(O)CC 2230a_100011218483_100011206558 [1,1,0,0,0,0|1,0,0]=3 3681 B12R0.276 CCOC(=O)CCNC[C@@H](C)OC 2230a_100020591295_100011206558 [1,1,0,0,0,0|2,0,0]=4 3682 B12R0.276 CCOC(=O)CCNC[C@@H](F)CO 34a_100015665980_100000765890 [1,1,0,0,0,0|2,0,0]=4 3683 B12R0.276 CCOC(=O)CCNC[C@H](O)CO 2230a_100020644852_100011206558 [1,1,0,0,0,0|2,0,0]=4 3684 B12R0.276 CCOC(=O)CCOCC(=O)CC 34a_100000725409_100000765890 [1,1,0,0,0,0|1,0,1]=4 3685 B12R0.276 CCOC(=O)CCOCC(C)CN 34a_100000744482_100000765890 [1,1,0,0,0,0|2,0,0]=4 3686 B12R0.276 CCOC(=O)CCOCC(C)OC 34a_100000690652_100000765890 [1,1,0,0,0,0|2,0,0]=4 3687 B12R0.276 CCOC(=O)CCOCC(Cl)CCl 34a_100000033668_100000765890 [1,1,0,0,0,0|2,0,0]=4 3688 B12R0.276 CCOC(=O)CCOC[C@@H](C)CC 7a_100009816381_100011206558 [1,1,0,0,0,0|1,0,0]=3 3689 B12R0.276 CCOC(=O)CCOC[C@H](F)CN 34a_100015665980_100000765890 [1,1,0,0,0,0|2,0,0]=4 3690 B12R0.276 CCOC(=O)CCSCC(=O)CC 62a_100000747405_100000765890 [1,1,0,0,0,0|1,0,1]=4 3691 B12R0.276 CCOC(=O)CCSCC(=O)CC 62a_100000765890_100000747405 [1,1,0,0,0,0|1,0,1]=4 3692 B12R0.276 CCOC(=O)CCSCC(C)CC 62a_100000748023_100000765890 [1,1,0,0,0,0|1,0,0]=3 3693 B12R0.276 CCOC(=O)CCSCC(C)CC 62a_100000765890_100000748023 [1,1,0,0,0,0|1,0,0]=3 3694 B12R0.276 CCOC(=O)CCSCC(O)CC 62a_100000765890_100011218378 [1,1,0,0,0,0|1,0,0]=3 3695 B12R0.276 CCOC(=O)CCSCC(O)CC 62a_100011218378_100000765890 [1,1,0,0,0,0|1,0,0]=3 3696 B12R0.276 CCOC(=O)CCSCC(O)CO 62a_100000765890_100011219619 [1,1,0,0,0,0|2,0,0]=4 3697 B12R0.276 CCOC(=O)CCSCC(O)CO 62a_100011219619_100000765890 [1,1,0,0,0,0|2,0,0]=4 3698 B12R0.276 CCOC(=O)CCSC[C@@H](C)CC 62a_100000765890_100009816398 [1,1,0,0,0,0|1,0,0]=3 3699 B12R0.276 CCOC(=O)CCSC[C@@H](C)CC 62a_100009816398_100000765890 [1,1,0,0,0,0|1,0,0]=3 3700 B12R0.276 CCOC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000765890 [1,1,0,0,0,0|2,0,0]=4 3701 B12R0.276 CCOC(=O)CCSC[C@@H](C)CO 62a_100000765890_100000059175 [1,1,0,0,0,0|2,0,0]=4 3702 B12R0.276 CCOC(=O)CCSC[C@@H](O)CF 62a_100000765890_100015614560 [1,1,0,0,0,0|2,0,0]=4 3703 B12R0.276 CCOC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000765890 [1,1,0,0,0,0|2,0,0]=4 3704 B12R0.276 CCOC(=O)CCSC[C@@H](O)CO 62a_100000765890_100009815848 [1,1,0,0,0,0|2,0,0]=4 3705 B12R0.276 CCOC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000765890 [1,1,0,0,0,0|2,0,0]=4 3706 B12R0.276 CCOC(=O)CNCCC(C)CC 2230a_100020591266_100000188475 [1,1,0,0,0,0|1,0,0]=3 3707 B12R0.276 CCOC(=O)CNCCC(C)CO 2230a_106354213184_100000188475 [1,1,0,0,0,0|2,0,0]=4 3708 B12R0.276 CCOC(=O)CNCCC(C)CO 34a_106354213184_100000188475 [1,1,0,0,0,0|2,0,0]=4 3709 B12R0.276 CCOC(=O)COCCC(=O)CC 1458a_100000210414_100000088970 [1,1,0,0,0,0|1,0,1]=4 3710 B12R0.276 CCOC(=O)COCCC(C)CC 7a_100011215188_100000188475 [1,1,0,0,0,0|1,0,0]=3 3711 B12R0.276 CCOC(=O)COCCC(C)OC 7a_100000764861_100000188475 [1,1,0,0,0,0|2,0,0]=4 3712 B12R0.276 CCOC(=O)COCCN(C)CC 2230a_100000225621_100000088970 [1,1,0,0,0,0|2,0,0]=4 3713 B12R0.276 CCOC(=O)COCCN(C)CC 269982a_100000225621_100000088970 [1,1,0,0,0,0|2,0,0]=4 3714 B12R0.276 CCOC(=O)NCCOC(C)CC 34a_100000158857_100011215416 [1,1,0,0,0,0|2,0,0]=4 3715 B12R0.276 CCOC(=O)NCCOC(C)CC 7a_100000210228_200011445536 [1,1,0,0,0,0|2,0,0]=4 3716 B12R0.276 CCOC(=O)NCCSC(C)CC 62a_100000758301_200011445536 [1,1,0,0,0,0|2,0,0]=4 3717 B12R0.276 CCOC(=O)OCSCC(C)CC 62a_100000748023_100000075025 [1,1,0,0,0,0|2,0,0]=4 3718 B12R0.276 CCOC(=O)OCSCC(O)CC 62a_100011218378_100000075025 [1,1,0,0,0,0|2,0,0]=4 3719 B12R0.276 CCOC(=O)OCSC[C@@H](C)CC 62a_100009816398_100000075025 [1,1,0,0,0,0|2,0,0]=4 3720 B12R0.277 C=C(C)CCOCCC(=O)OCC 34a_100000764851_100000765890 [1,1,0,0,0,0|1,0,1]=4 3721 B12R0.277 C=C(C)CCSCCC(=O)OCC 62a_100000730704_100000765890 [1,1,0,0,0,0|1,0,1]=4 3722 B12R0.277 C=C(C)CCSCCC(=O)OCC 62a_100000765890_100000730704 [1,1,0,0,0,0|1,0,1]=4 3723 B12R0.277 C=C(C)COCCCC(=O)OCC 34a_100000210245_100009991533 [1,1,0,0,0,0|1,0,1]=4 3724 B12R0.277 C=C(C)COCCCC(=O)OCC 7a_100012001163_100000748629 [1,1,0,0,0,0|1,0,1]=4 3725 B12R0.277 C=C(C)CSCCCC(=O)OCC 62a_100000748629_100009991533 [1,1,0,0,0,0|1,0,1]=4 3726 B12R0.277 C=C(C)CSCCCC(=O)OCC 62a_100009991533_100000211660 [1,1,0,0,0,0|1,0,1]=4 3727 B12R0.277 CC#CC(=O)CCCCCC(C)C 1458a_100000763181_100000210682 [1,1,0,0,0,0|1,0,1]=4 3728 B12R0.277 CC(C)CCCCCC(=O)CCF 1458a_100000766313_100011217306 [1,1,0,0,0,0|2,0,0]=4 3729 B12R0.277 CC(C)CCCCCC(=O)CCO 1458a_100000766313_100000211926 [1,1,0,0,0,0|2,0,0]=4 3730 B12R0.277 CC(C)CCCCCC(=O)CCO 1458a_100011216618_100000210682 [1,1,0,0,0,0|2,0,0]=4 3731 B12R0.277 CC=CC(=O)CCCCCC(C)C 1458a_100000210699_100000210682 [1,1,0,0,0,0|1,0,1]=4 3732 B12R0.277 CCCC(=O)CCCCCC(C)C 1458a_100000211992_100000210682 [1,1,0,0,0,0|1,0,0]=3 3733 B12R0.277 CCCC(=O)CCCCCC(C)C 1458a_100000766313_100000210303 [1,1,0,0,0,0|1,0,0]=3 3734 B12R0.277 CCCC(=O)CNCCCC(C)C 2230a_200000737386_100000747444 [1,1,0,0,0,0|2,0,0]=4 3735 B12R0.277 CCCC(=O)COCCCC(C)C 7a_100000210774_100000747444 [1,1,0,0,0,0|2,0,0]=4 3736 B12R0.277 CCCC(=O)CSCCCC(C)C 62a_100000747444_100011214892 [1,1,0,0,0,0|2,0,0]=4 3737 B12R0.277 CCCC(=O)CSCCCC(C)C 62a_100011214892_100000747444 [1,1,0,0,0,0|2,0,0]=4 3738 B12R0.277 CCCC(=O)CSCCCC(C)O 62a_100000747444_200000718107 [1,1,0,0,0,0|2,0,0]=4 3739 B12R0.277 CCCC(=O)CSCCCC(C)O 62a_200000718107_100000747444 [1,1,0,0,0,0|2,0,0]=4 3740 B12R0.277 CCNC(=O)CCCCCC(C)C 11a_100015525214_100000766313 [1,1,0,0,0,0|1,0,0]=3 3741 B12R0.277 CCNC(=O)CCCCCC(C)C 240690a_100015525214_100000766313 [1,1,0,0,0,0|1,0,0]=3 3742 B12R0.277 CCNC(=O)CCCCCC(C)C 527a_100015525214_100000766313 [1,1,0,0,0,0|1,0,0]=3 3743 B12R0.277 CCNC(=O)CCNCCC(C)C 269862a_100025743525_100000185833 [1,1,0,0,0,0|2,0,0]=4 3744 B12R0.277 CCNC(=O)CCNCCC(C)C 34a_100025743525_100000210312 [1,1,0,0,0,0|2,0,0]=4 3745 B12R0.277 CCNC(=O)CCNCCC(C)O 2230a_200000755665_100000737597 [1,1,0,0,0,0|2,0,0]=4 3746 B12R0.277 CCNC(=O)CCNCCC(C)O 34a_100025743525_100012276601 [1,1,0,0,0,0|2,0,0]=4 3747 B12R0.277 CCNC(=O)CCOCCC(C)C 7a_100000210254_100000737597 [1,1,0,0,0,0|2,0,0]=4 3748 B12R0.277 CCNC(=O)CCSCCC(C)C 62a_100000210312_100000737597 [1,1,0,0,0,0|2,0,0]=4 3749 B12R0.277 CCNC(=O)CCSCCC(C)C 62a_100000737597_100000210312 [1,1,0,0,0,0|2,0,0]=4 3750 B12R0.277 CCNC(=O)CCSCCC(C)O 62a_100000737597_100012276601 [1,1,0,0,0,0|2,0,0]=4 3751 B12R0.277 CCNC(=O)CCSCCC(C)O 62a_100012276601_100000737597 [1,1,0,0,0,0|2,0,0]=4 3752 B12R0.277 CCNC(=O)CNCCCC(C)C 2230a_100016988866_100011214892 [1,1,0,0,0,0|2,0,0]=4 3753 B12R0.277 CCNC(=O)CNCCCC(C)C 2230a_200000737386_100000183381 [1,1,0,0,0,0|2,0,0]=4 3754 B12R0.277 CCNC(=O)CNCCCC(C)C 34a_200000737386_100000183381 [1,1,0,0,0,0|2,0,0]=4 3755 B12R0.277 CCNC(=O)CNCCCC(C)O 2230a_100016988866_200000718107 [1,1,0,0,0,0|2,0,0]=4 3756 B12R0.277 CCNC(=O)COCCCC(C)C 34a_100000210774_100000183381 [1,1,0,0,0,0|2,0,0]=4 3757 B12R0.277 CCNC(=O)COCCCC(C)C 7a_100000210774_100000183381 [1,1,0,0,0,0|2,0,0]=4 3758 B12R0.277 CCNC(=O)CSCCCC(C)C 62a_100000183381_100011214892 [1,1,0,0,0,0|2,0,0]=4 3759 B12R0.277 CCNC(=O)CSCCCC(C)C 62a_100011214892_100000183381 [1,1,0,0,0,0|2,0,0]=4 3760 B12R0.277 CCNC(=O)CSCCCC(C)O 62a_100000183381_200000718107 [1,1,0,0,0,0|2,0,0]=4 3761 B12R0.277 CCNC(=O)CSCCCC(C)O 62a_200000718107_100000183381 [1,1,0,0,0,0|2,0,0]=4 3762 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000037472_200000210301 [1,1,0,0,0,0|0,0,1]=3 3763 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000070787_100000755133 [1,1,0,0,0,0|0,0,1]=3 3764 B12R0.277 CCOC(=O)CCCCCC(=O)[13CH3] 1458a_100000037472_200025704644 [1,1,0,0,0,0|0,0,1]=3 3765 B12R0.277 CCOC(=O)CCCCCN(C)C 2230a_100102631434_100000755133 [1,1,0,0,0,0|1,0,0]=3 3766 B12R0.277 CCOC(=O)CCCCCN(C)C 269982a_100102631434_100000755133 [1,1,0,0,0,0|1,0,0]=3 3767 B12R0.277 CCOC(=O)CCCCNC(=O)C 188690a_100000718961_100015343762 [1,1,0,0,0,0|1,0,1]=4 3768 B12R0.277 CCOC(=O)CCCCNC(C)C 2230a_100138425928_100000750268 [1,1,0,0,0,0|1,0,0]=3 3769 B12R0.277 CCOC(=O)CCCCNC(C)C 34a_100138425928_100000750268 [1,1,0,0,0,0|1,0,0]=3 3770 B12R0.277 CCOC(=O)CCCCOC(C)C 34a_100000212225_100000750268 [1,1,0,0,0,0|1,0,0]=3 3771 B12R0.277 CCOC(=O)CCCCSC(C)C 62a_100000210206_100000750268 [1,1,0,0,0,0|1,0,0]=3 3772 B12R0.277 CCOC(=O)CCCCSC(C)C 62a_100000750268_100000210206 [1,1,0,0,0,0|1,0,0]=3 3773 B12R0.277 CCOC(=O)CCCNCC(C)C 2230a_100000210953_100009991533 [1,1,0,0,0,0|1,0,0]=3 3774 B12R0.277 CCOC(=O)CCCNCC(C)C 34a_100000210953_100009991533 [1,1,0,0,0,0|1,0,0]=3 3775 B12R0.277 CCOC(=O)CCCNCC(C)O 2230a_100000210904_100009991533 [1,1,0,0,0,0|1,0,0]=3 3776 B12R0.277 CCOC(=O)CCCNCC(C)O 34a_100000210904_100009991533 [1,1,0,0,0,0|1,0,0]=3 3777 B12R0.277 CCOC(=O)CCCNCC(F)F 34a_100000765723_100009991533 [1,1,0,0,0,0|2,0,0]=4 3778 B12R0.277 CCOC(=O)CCCOCC(=O)C 34a_100000211253_100009991533 [1,1,0,0,0,0|1,0,1]=4 3779 B12R0.277 CCOC(=O)CCCOCC(C)Br 34a_100012180447_100009991533 [1,1,0,0,0,0|1,0,0]=3 3780 B12R0.277 CCOC(=O)CCCOCC(C)C 34a_100000210257_100009991533 [1,1,0,0,0,0|1,0,0]=3 3781 B12R0.277 CCOC(=O)CCCOCC(C)C 7a_100012001163_100000210760 [1,1,0,0,0,0|1,0,0]=3 3782 B12R0.277 CCOC(=O)CCCOCC(C)F 34a_100015925927_100009991533 [1,1,0,0,0,0|1,0,0]=3 3783 B12R0.277 CCOC(=O)CCCOCC(C)O 7a_100012001163_100011218427 [1,1,0,0,0,0|1,0,0]=3 3784 B12R0.277 CCOC(=O)CCCOCC(F)F 34a_100000743014_100009991533 [1,1,0,0,0,0|2,0,0]=4 3785 B12R0.277 CCOC(=O)CCCOCC(F)F 7a_100012001163_100011934356 [1,1,0,0,0,0|2,0,0]=4 3786 B12R0.277 CCOC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100009991533 [1,1,0,0,0,0|1,0,0]=3 3787 B12R0.277 CCOC(=O)CCCOC[C@@H](C)N 34a_100000737577_100009991533 [1,1,0,0,0,0|1,0,0]=3 3788 B12R0.277 CCOC(=O)CCCOC[C@@H](C)O 7a_100012001163_100009817552 [1,1,0,0,0,0|1,0,0]=3 3789 B12R0.277 CCOC(=O)CCCSCC(C)C 62a_100000210624_100009991533 [1,1,0,0,0,0|1,0,0]=3 3790 B12R0.277 CCOC(=O)CCCSCC(C)C 62a_100009991533_100000210760 [1,1,0,0,0,0|1,0,0]=3 3791 B12R0.277 CCOC(=O)CCCSCC(C)O 62a_100009991533_100011218427 [1,1,0,0,0,0|1,0,0]=3 3792 B12R0.277 CCOC(=O)CCCSCC(C)O 62a_100011218427_100009991533 [1,1,0,0,0,0|1,0,0]=3 3793 B12R0.277 CCOC(=O)CCCSCC(F)F 62a_100009991533_100011934356 [1,1,0,0,0,0|2,0,0]=4 3794 B12R0.277 CCOC(=O)CCCSCC(F)F 62a_100011934356_100009991533 [1,1,0,0,0,0|2,0,0]=4 3795 B12R0.277 CCOC(=O)CCCSC[C@@H](C)O 62a_100009817552_100009991533 [1,1,0,0,0,0|1,0,0]=3 3796 B12R0.277 CCOC(=O)CCCSC[C@@H](C)O 62a_100009991533_100009817552 [1,1,0,0,0,0|1,0,0]=3 3797 B12R0.277 CCOC(=O)CCNCCC(C)O 2230a_200000755665_100011206558 [1,1,0,0,0,0|1,0,0]=3 3798 B12R0.277 CCOC(=O)CCOCCC(=O)C 34a_100000759926_100000765890 [1,1,0,0,0,0|1,0,1]=4 3799 B12R0.277 CCOC(=O)CCOCCC(=O)C 7a_100000759926_100011206558 [1,1,0,0,0,0|1,0,1]=4 3800 B12R0.277 CCOC(=O)CCOCCC(C)Br 34a_100009893172_100000765890 [1,1,0,0,0,0|1,0,0]=3 3801 B12R0.277 CCOC(=O)CCOCCC(C)C 34a_100000210254_100000765890 [1,1,0,0,0,0|1,0,0]=3 3802 B12R0.277 CCOC(=O)CCOCCC(C)C 7a_100000210254_100011206558 [1,1,0,0,0,0|1,0,0]=3 3803 B12R0.277 CCOC(=O)CCOCCC(F)F 34a_100103093639_100000765890 [1,1,0,0,0,0|2,0,0]=4 3804 B12R0.277 CCOC(=O)CCOCC[C@@H](C)N 34a_100000706166_100000765890 [1,1,0,0,0,0|1,0,0]=3 3805 B12R0.277 CCOC(=O)CCSCCC(=O)C 62a_100000053229_100000765890 [1,1,0,0,0,0|1,0,1]=4 3806 B12R0.277 CCOC(=O)CCSCCC(=O)C 62a_100000765890_100000053229 [1,1,0,0,0,0|1,0,1]=4 3807 B12R0.277 CCOC(=O)CCSCCC(C)C 62a_100000210312_100000765890 [1,1,0,0,0,0|1,0,0]=3 3808 B12R0.277 CCOC(=O)CCSCCC(C)C 62a_100000765890_100000210312 [1,1,0,0,0,0|1,0,0]=3 3809 B12R0.277 CCOC(=O)CCSCCC(C)O 62a_100000765890_100012276601 [1,1,0,0,0,0|1,0,0]=3 3810 B12R0.277 CCOC(=O)CCSCCC(C)O 62a_100012276601_100000765890 [1,1,0,0,0,0|1,0,0]=3 3811 B12R0.277 CCOC(=O)CCSCCN(C)C 62a_100000765890_100000755713 [1,1,0,0,0,0|2,0,0]=4 3812 B12R0.277 CCOC(=O)CCSCOC(C)C 62a_100000709892_100000765890 [1,1,0,0,0,0|2,0,0]=4 3813 B12R0.277 CCOC(=O)CCSCOC(C)C 62a_100000765890_100000709892 [1,1,0,0,0,0|2,0,0]=4 3814 B12R0.277 CCOC(=O)CNCCCC(C)C 2230a_200000737386_100000188475 [1,1,0,0,0,0|1,0,0]=3 3815 B12R0.277 CCOC(=O)CNCCCC(C)C 34a_200000737386_100000188475 [1,1,0,0,0,0|1,0,0]=3 3816 B12R0.277 CCOC(=O)CNCCCS(=O)C 2230a_200000753449_100000188475 [1,1,0,0,0,0|2,0,0]=4 3817 B12R0.277 CCOC(=O)CNCCOC(C)C 2230a_100000701111_100000188475 [1,1,0,0,0,0|2,0,0]=4 3818 B12R0.277 CCOC(=O)CNCCOC(C)C 34a_100000701111_100000188475 [1,1,0,0,0,0|2,0,0]=4 3819 B12R0.277 CCOC(=O)CNCCSC(C)C 2230a_100000731138_100000188475 [1,1,0,0,0,0|2,0,0]=4 3820 B12R0.277 CCOC(=O)CNCCSC(C)C 34a_100000731138_100000188475 [1,1,0,0,0,0|2,0,0]=4 3821 B12R0.277 CCOC(=O)COCCCC(=O)C 1458a_100000070787_100009893628 [1,1,0,0,0,0|1,0,1]=4 3822 B12R0.277 CCOC(=O)COCCCC(=O)C 34a_100000759063_100000188475 [1,1,0,0,0,0|1,0,1]=4 3823 B12R0.277 CCOC(=O)COCCCC(=O)C 7a_100000759063_100000188475 [1,1,0,0,0,0|1,0,1]=4 3824 B12R0.277 CCOC(=O)COCCCC(C)C 34a_100000210774_100000188475 [1,1,0,0,0,0|1,0,0]=3 3825 B12R0.277 CCOC(=O)COCCCC(C)C 7a_100000210774_100000188475 [1,1,0,0,0,0|1,0,0]=3 3826 B12R0.277 CCOC(=O)COCCCN(C)C 2230a_100102631434_100009893628 [1,1,0,0,0,0|2,0,0]=4 3827 B12R0.277 CCOC(=O)COCCCN(C)C 269982a_100102631434_100009893628 [1,1,0,0,0,0|2,0,0]=4 3828 B12R0.277 CCOC(=O)COCCNC(C)C 2230a_100138425928_100000088970 [1,1,0,0,0,0|2,0,0]=4 3829 B12R0.277 CCOC(=O)COCCNC(C)C 34a_100000224655_100000188475 [1,1,0,0,0,0|2,0,0]=4 3830 B12R0.277 CCOC(=O)COCCNC(C)C 34a_100138425928_100000088970 [1,1,0,0,0,0|2,0,0]=4 3831 B12R0.277 CCOC(=O)COCCOC(C)C 34a_100000211219_100000188475 [1,1,0,0,0,0|2,0,0]=4 3832 B12R0.277 CCOC(=O)COCCOC(C)C 34a_100000212225_100000088970 [1,1,0,0,0,0|2,0,0]=4 3833 B12R0.277 CCOC(=O)COCCOC(C)C 7a_100000211219_100000188475 [1,1,0,0,0,0|2,0,0]=4 3834 B12R0.277 CCOC(=O)COCCSC(C)C 34a_200011212901_100000188475 [1,1,0,0,0,0|2,0,0]=4 3835 B12R0.277 CCOC(=O)COCCSC(C)C 62a_100000088970_100000210206 [1,1,0,0,0,0|2,0,0]=4 3836 B12R0.277 CCOC(=O)COCCSC(C)C 62a_100000210206_100000088970 [1,1,0,0,0,0|2,0,0]=4 3837 B12R0.277 CCOC(=O)COCCSC(C)C 7a_200011212901_100000188475 [1,1,0,0,0,0|2,0,0]=4 3838 B12R0.277 CCOC(=O)CSCCCC(=O)C 62a_100000188475_100011215641 [1,1,0,0,0,0|1,0,1]=4 3839 B12R0.277 CCOC(=O)CSCCCC(=O)C 62a_100011215641_100000188475 [1,1,0,0,0,0|1,0,1]=4 3840 B12R0.277 CCOC(=O)CSCCCC(C)C 62a_100000188475_100011214892 [1,1,0,0,0,0|1,0,0]=3 3841 B12R0.277 CCOC(=O)CSCCCC(C)C 62a_100011214892_100000188475 [1,1,0,0,0,0|1,0,0]=3 3842 B12R0.277 CCOC(=O)CSCCCC(C)O 62a_100000188475_200000718107 [1,1,0,0,0,0|1,0,0]=3 3843 B12R0.277 CCOC(=O)CSCCCC(C)O 62a_200000718107_100000188475 [1,1,0,0,0,0|1,0,0]=3 3844 B12R0.277 CCOC(=O)CSCCCN(C)C 62a_100000188475_100000757444 [1,1,0,0,0,0|2,0,0]=4 3845 B12R0.277 CCOC(=O)CSCCOC(C)C 62a_100000188475_100000211751 [1,1,0,0,0,0|2,0,0]=4 3846 B12R0.277 CCOC(=O)CSCCOC(C)C 62a_100000211751_100000188475 [1,1,0,0,0,0|2,0,0]=4 3847 B12R0.277 CCOC(=O)CSCCOC(C)C 7a_200000230590_100000210206 [1,1,0,0,0,0|2,0,0]=4 3848 B12R0.277 CCOC(=O)CSCCSC(C)C 62a_100000188475_100000730970 [1,1,0,0,0,0|2,0,0]=4 3849 B12R0.277 CCOC(=O)CSCCSC(C)C 62a_100000730970_100000188475 [1,1,0,0,0,0|2,0,0]=4 3850 B12R0.277 CCOC(=O)NCCOCC(C)C 34a_100000158857_100000210624 [1,1,0,0,0,0|2,0,0]=4 3851 B12R0.277 CCOC(=O)NCCOCC(C)O 34a_100000158857_100011218427 [1,1,0,0,0,0|2,0,0]=4 3852 B12R0.277 CCOC(=O)NCCOC[C@@H](C)O 34a_100000158857_100009817552 [1,1,0,0,0,0|2,0,0]=4 3853 B12R0.277 CCOC(=O)NCCSCC(C)C 62a_100000210624_200011445536 [1,1,0,0,0,0|2,0,0]=4 3854 B12R0.277 CCOC(=O)NCCSCC(C)O 62a_100011218427_200011445536 [1,1,0,0,0,0|2,0,0]=4 3855 B12R0.277 CCOC(=O)NCCSC[C@@H](C)O 62a_100009817552_200011445536 [1,1,0,0,0,0|2,0,0]=4 3856 B12R0.277 CCOC(=O)OCSCCC(C)C 62a_100000210312_100000075025 [1,1,0,0,0,0|2,0,0]=4 3857 B12R0.277 CCOC(=O)OCSCCC(C)O 62a_100012276601_100000075025 [1,1,0,0,0,0|2,0,0]=4 3858 B12R0.277 CNNC(=O)CCCCCC(C)C 22a_100016993582_100000766313 [1,1,0,0,0,0|2,0,0]=4 3859 B12R0.277 COCC(=O)CCCCCC(C)C 1458a_100000210968_100000210682 [1,1,0,0,0,0|2,0,0]=4 3860 B12R0.277 CSCC(=O)CCCCCC(C)C 1458a_100000184570_100000210682 [1,1,0,0,0,0|2,0,0]=4 3861 B12R0.285 CCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210303 [1,1,0,0,0,0|1,0,1]=4 3862 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210303 [1,1,0,0,0,0|0,0,1]=3 3863 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000211992_100011215271 [1,1,0,0,0,0|0,0,1]=3 3864 B12R0.285 CCCC(=O)CCNC(=O)OCC 1458a_100000211992_200011445536 [1,1,0,0,0,0|1,0,1]=4 3865 B12R0.285 CCCC(=O)COCC(C)CCC 7a_100000688023_100000747444 [1,1,0,0,0,0|2,0,0]=4 3866 B12R0.285 CCCC(=O)CSCC(=O)OCC 62a_100000188475_100000747444 [1,1,0,0,0,0|1,0,1]=4 3867 B12R0.285 CCCC(=O)CSCC(=O)OCC 62a_100000747444_100000188475 [1,1,0,0,0,0|1,0,1]=4 3868 B12R0.285 CCCC(=O)CSCC(C)CCC 62a_100000747444_100011216630 [1,1,0,0,0,0|2,0,0]=4 3869 B12R0.285 CCCC(=O)CSCC(C)CCC 62a_100011216630_100000747444 [1,1,0,0,0,0|2,0,0]=4 3870 B12R0.285 CCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000211992 [1,1,0,0,0,0|1,0,1]=4 3871 B12R0.285 CCCC(C)CNCC(=O)NCC 2230a_100016988866_100011216630 [1,1,0,0,0,0|2,0,0]=4 3872 B12R0.285 CCCC(C)CNCC(=O)NCC 270004a_100016988866_100000243154 [1,1,0,0,0,0|2,0,0]=4 3873 B12R0.285 CCCC(C)COCC(=O)NCC 34a_100000688023_100000183381 [1,1,0,0,0,0|2,0,0]=4 3874 B12R0.285 CCCC(C)COCC(=O)NCC 7a_100000688023_100000183381 [1,1,0,0,0,0|2,0,0]=4 3875 B12R0.285 CCCC(C)COCC(=O)OCC 34a_100000688023_100000188475 [1,1,0,0,0,0|1,0,0]=3 3876 B12R0.285 CCCC(C)COCC(=O)OCC 7a_100000688023_100000188475 [1,1,0,0,0,0|1,0,0]=3 3877 B12R0.285 CCCC(C)CSCC(=O)NCC 62a_100000183381_100011216630 [1,1,0,0,0,0|2,0,0]=4 3878 B12R0.285 CCCC(C)CSCC(=O)NCC 62a_100011216630_100000183381 [1,1,0,0,0,0|2,0,0]=4 3879 B12R0.285 CCCC(C)CSCC(=O)OCC 62a_100000188475_100011216630 [1,1,0,0,0,0|1,0,0]=3 3880 B12R0.285 CCCC(C)CSCC(=O)OCC 62a_100011216630_100000188475 [1,1,0,0,0,0|1,0,0]=3 3881 B12R0.285 CCCC(C)NCCC(=O)NCC 2230a_100000741246_100000737597 [1,1,0,0,0,0|2,0,0]=4 3882 B12R0.285 CCCC(C)NCCC(=O)NCC 270004a_100025743525_100000211909 [1,1,0,0,0,0|2,0,0]=4 3883 B12R0.285 CCCC(C)NCCC(=O)NCC 34a_100025743525_100000766640 [1,1,0,0,0,0|2,0,0]=4 3884 B12R0.285 CCCC(C)NCCC(=O)OCC 2230a_100000741246_100011206558 [1,1,0,0,0,0|1,0,0]=3 3885 B12R0.285 CCCC(C)OCCC(=O)NCC 7a_100000764384_100000737597 [1,1,0,0,0,0|2,0,0]=4 3886 B12R0.285 CCCC(C)OCCC(=O)OCC 34a_100000764384_100000765890 [1,1,0,0,0,0|1,0,0]=3 3887 B12R0.285 CCCC(C)OCCC(=O)OCC 7a_100000764384_100011206558 [1,1,0,0,0,0|1,0,0]=3 3888 B12R0.285 CCCC(C)SCCC(=O)NCC 62a_100000737597_100000766640 [1,1,0,0,0,0|2,0,0]=4 3889 B12R0.285 CCCC(C)SCCC(=O)NCC 62a_100000766640_100000737597 [1,1,0,0,0,0|2,0,0]=4 3890 B12R0.285 CCCC(C)SCCC(=O)OCC 62a_100000765890_100000766640 [1,1,0,0,0,0|1,0,0]=3 3891 B12R0.285 CCCC(C)SCCC(=O)OCC 62a_100000766640_100000765890 [1,1,0,0,0,0|1,0,0]=3 3892 B12R0.285 CCCC(C)SCOC(=O)OCC 62a_100000766640_100000075025 [1,1,0,0,0,0|2,0,0]=4 3893 B12R0.285 CCCN(C)CCCC(=O)OCC 2230a_100000747261_100009991533 [1,1,0,0,0,0|1,0,0]=3 3894 B12R0.285 CCCN(C)CCCC(=O)OCC 269982a_100000747261_100009991533 [1,1,0,0,0,0|1,0,0]=3 3895 B12R0.285 CCCN(C)CCNC(=O)OCC 269982a_100000747261_200011445536 [1,1,0,0,0,0|2,0,0]=4 3896 B12R0.285 CCC[C@H](N)COCC(=O)NCC 34a_100000732646_100000183381 [1,1,0,0,0,0|2,0,0]=4 3897 B12R0.285 CCC[C@H](N)COCC(=O)OCC 34a_100000732646_100000188475 [1,1,0,0,0,0|1,0,0]=3 3898 B12R0.285 CCNC(=O)CCCC(=O)OCC 11a_100015525214_100000210991 [1,1,0,0,0,0|1,0,1]=4 3899 B12R0.285 CCNC(=O)CCCC(=O)OCC 240690a_100015525214_100000210991 [1,1,0,0,0,0|1,0,1]=4 3900 B12R0.285 CCNC(=O)CCCC(=O)OCC 527a_100015525214_100000210991 [1,1,0,0,0,0|1,0,1]=4 3901 B12R0.285 CCOC(=O)CCCC(=O)CCF 1458a_100000210991_100011217306 [1,1,0,0,0,0|1,0,1]=4 3902 B12R0.285 CCOC(=O)CCCC(=O)CCO 1458a_100000210991_100000211926 [1,1,0,0,0,0|1,0,1]=4 3903 B12R0.285 CCOC(=O)CCCC(=O)CCO 1458a_100011216618_100011215271 [1,1,0,0,0,0|1,0,1]=4 3904 B12R0.285 CCOC(=O)CCCC(=O)COC 1458a_100000210968_100011215271 [1,1,0,0,0,0|1,0,1]=4 3905 B12R0.285 CCOC(=O)CCCC(=O)CSC 1458a_100000184570_100011215271 [1,1,0,0,0,0|1,0,1]=4 3906 B12R0.285 CCOC(=O)CCCN(C)CCO 2230a_100000210263_100009991533 [1,1,0,0,0,0|2,0,0]=4 3907 B12R0.285 CCOC(=O)CCCN(C)CCO 269982a_100000210263_100009991533 [1,1,0,0,0,0|2,0,0]=4 3908 B12R0.285 CCOC(=O)CCN[C@H](C)CCO 2230a_100000706166_100011206558 [1,1,0,0,0,0|2,0,0]=4 3909 B12R0.285 CCOC(=O)CCN[C@H](C)CCO 34a_100000706166_100000765890 [1,1,0,0,0,0|2,0,0]=4 3910 B12R0.285 CCOC(=O)CCN[C@H](C)COC 2230a_100000764878_100011206558 [1,1,0,0,0,0|2,0,0]=4 3911 B12R0.285 CCOC(=O)CCOC(C)CCBr 34a_100012276601_100000765890 [1,1,0,0,0,0|2,0,0]=4 3912 B12R0.285 CCOC(=O)CCO[C@H](C)COC 34a_100011934205_100000765890 [1,1,0,0,0,0|2,0,0]=4 3913 B12R0.285 CCOC(=O)CCSC(C)CCO 62a_100000765890_100009893172 [1,1,0,0,0,0|2,0,0]=4 3914 B12R0.285 CCOC(=O)CCSC(C)CCO 62a_100009893172_100000765890 [1,1,0,0,0,0|2,0,0]=4 3915 B12R0.285 CCOC(=O)CCSC(C)COC 62a_100000765312_100000765890 [1,1,0,0,0,0|2,0,0]=4 3916 B12R0.285 CCOC(=O)CCSC(C)COC 62a_100000765890_100000765312 [1,1,0,0,0,0|2,0,0]=4 3917 B12R0.285 CCOC(=O)CNCC(O)COC 2230a_100000756049_100000188475 [1,1,0,0,0,0|2,0,0]=4 3918 B12R0.285 CCOC(=O)CNCC(O)COC 34a_100000756049_100000188475 [1,1,0,0,0,0|2,0,0]=4 3919 B12R0.285 CCOC(=O)COCC(C)CCN 34a_106354213184_100000188475 [1,1,0,0,0,0|2,0,0]=4 3920 B12R0.285 CCOC(=O)COCC(N)COC 34a_100000724102_100000188475 [1,1,0,0,0,0|2,0,0]=4 3921 B12R0.285 CCOC(=O)CSCC(O)COC 62a_100000188475_100011215053 [1,1,0,0,0,0|2,0,0]=4 3922 B12R0.285 CCOC(=O)CSCC(O)COC 62a_100011215053_100000188475 [1,1,0,0,0,0|2,0,0]=4 3923 B12R0.434 CCCCCCCC(C)(C)OCC 34a_100121572206_200000046972 [1,1,0,0,0,0|1,0,1]=4 3924 B12R0.2 CCCCC(=O)CC(=O)OC(C)C 1458a_100000210183_100011215430 [1,1,0,0,0,0|0,0,2]=4 3925 B12R0.2 CCCCN(C)CC(=O)OC(C)C 2230a_100000207549_100011215430 [1,1,0,0,0,0|2,0,0]=4 3926 B12R0.2 CCCCN(C)CC(=O)OC(C)C 269982a_100000207549_100011215430 [1,1,0,0,0,0|2,0,0]=4 3927 B12R0.68 CCOC(=O)CC(=O)CC(C)CC 1458a_100000243816_100000748023 [1,1,0,0,0,0|0,0,2]=4 3928 B12R0.68 CCOC(=O)CC(=O)CC(C)CC 1458a_100000708755_100000188475 [1,1,0,0,0,0|0,0,2]=4 3929 B12R0.68 CCOC(=O)CC(=O)CC(O)CC 1458a_100000243816_100011218378 [1,1,0,0,0,0|0,0,2]=4 3930 B12R0.68 CCOC(=O)CC(=O)CC(O)CC 1458a_100011667805_100000188475 [1,1,0,0,0,0|0,0,2]=4 3931 B12R0.68 CCOC(=O)CC(=O)C[C@@H](C)CC 1458a_100000243816_100009816398 [1,1,0,0,0,0|0,0,2]=4 3932 B12R0.68 CCOC(=O)CC(C)NC(C)CC 2230a_100000209981_100009817359 [1,1,0,0,0,0|2,0,0]=4 3933 B12R0.68 CCOC(=O)CC(C)OC(C)CC 7a_100000210228_100009817359 [1,1,0,0,0,0|2,0,0]=4 3934 B12R0.68 CCOC(=O)CC(C)SC(C)CC 62a_100000758301_100009817359 [1,1,0,0,0,0|2,0,0]=4 3935 B12R0.68 CCOC(=O)CC(C)SC(C)CC 62a_100009817359_100000758301 [1,1,0,0,0,0|2,0,0]=4 3936 B12R0.68 CCOC(=O)CN(C)CC(C)CC 2230a_100000220588_100000748023 [1,1,0,0,0,0|2,0,0]=4 3937 B12R0.68 CCOC(=O)CN(C)CC(C)CC 2230a_100000753921_100000188475 [1,1,0,0,0,0|2,0,0]=4 3938 B12R0.68 CCOC(=O)CN(C)CC(C)CC 269982a_100000753921_100000188475 [1,1,0,0,0,0|2,0,0]=4 3939 B12R0.68 CCOC(=O)CN(C)CC(C)CC 270004a_100000220588_100000243153 [1,1,0,0,0,0|2,0,0]=4 3940 B12R0.68 CCOC(=O)CN(C)CC(O)CC 2230a_100000220588_100011218378 [1,1,0,0,0,0|2,0,0]=4 3941 B12R0.68 CCOC(=O)CN(C)C[C@@H](C)CC 2230a_100000220588_100009816398 [1,1,0,0,0,0|2,0,0]=4 3942 B12R0.68 CCOC(=O)C[C@@H](C)OC(C)CC 7a_100009816390_100000758301 [1,1,0,0,0,0|2,0,0]=4 3943 B12R0.68 CCOC(=O)C[C@H](O)CN(C)CC 269982a_100000225621_100000688340 [1,1,0,0,0,0|1,0,0]=3 3944 B12R0.69 CCCC(=O)C(C)CC(=O)OCC 1458a_100000211992_100009817359 [1,1,0,0,0,0|1,0,1]=4 3945 B12R0.69 CCCC(C)C(=O)CC(=O)OCC 1458a_100000210906_100000188475 [1,1,0,0,0,0|0,0,2]=4 3946 B12R0.69 CCCC(C)C(=O)CC(=O)OCC 1458a_100000243816_100000766640 [1,1,0,0,0,0|0,0,2]=4 3947 B12R0.69 CCCC(C)N(C)CC(=O)OCC 2230a_100000220588_100000766640 [1,1,0,0,0,0|2,0,0]=4 3948 B12R0.69 CCCC(C)N(C)CC(=O)OCC 270004a_100000220588_100000211909 [1,1,0,0,0,0|2,0,0]=4 3949 B12R0.69 CCCN(C)C(C)CC(=O)OCC 2230a_100000747261_100009817359 [1,1,0,0,0,0|2,0,0]=4 3950 B12R0.69 CCCN(C)C(C)CC(=O)OCC 269982a_100000747261_100009817359 [1,1,0,0,0,0|2,0,0]=4 3951 B12R0.69 CCC[C@H](O)C(=O)CC(=O)OCC 1458a_100009822183_100000188475 [1,1,0,0,0,0|0,0,2]=4 3952 B12R0.103 CCCCC(=O)CC(=O)OCCC 1458a_100000210183_200011215008 [1,1,0,0,0,0|0,0,2]=4 3953 B12R0.103 CCCCC(C)NC(=O)COCC 11a_100000126638_100000211967 [1,1,0,0,0,0|2,0,0]=4 3954 B12R0.103 CCCCC(C)NC(=O)COCC 1626a_100000126638_100000211967 [1,1,0,0,0,0|2,0,0]=4 3955 B12R0.103 CCCCC(C)NC(=O)COCC 240690a_100000126638_100000211967 [1,1,0,0,0,0|2,0,0]=4 3956 B12R0.103 CCCCC(C)NC(=O)COCC 527a_100000126638_100000211967 [1,1,0,0,0,0|2,0,0]=4 3957 B12R0.103 CCCCN(C)CC(=O)OCCC 2230a_100000207549_200011215008 [1,1,0,0,0,0|2,0,0]=4 3958 B12R0.103 CCCCN(C)CC(=O)OCCC 269982a_100000207549_200011215008 [1,1,0,0,0,0|2,0,0]=4 3959 B12R0.283 CCOC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000188475 [1,1,0,0,0,0|0,0,2]=4 3960 B12R0.283 CCOC(=O)CC(=O)CCC(C)C 1458a_100000243816_100000210312 [1,1,0,0,0,0|0,0,2]=4 3961 B12R0.283 CCOC(=O)CC(=O)CCC(C)O 1458a_100000243816_100012276601 [1,1,0,0,0,0|0,0,2]=4 3962 B12R0.283 CCOC(=O)CC(C)NCC(C)C 2230a_100000210953_100009817359 [1,1,0,0,0,0|2,0,0]=4 3963 B12R0.283 CCOC(=O)CC(C)NCC(C)O 2230a_100000210904_100009817359 [1,1,0,0,0,0|2,0,0]=4 3964 B12R0.283 CCOC(=O)CC(C)SCC(C)C 62a_100000210624_100009817359 [1,1,0,0,0,0|2,0,0]=4 3965 B12R0.283 CCOC(=O)CC(C)SCC(C)C 62a_100009817359_100000210760 [1,1,0,0,0,0|2,0,0]=4 3966 B12R0.283 CCOC(=O)CC(C)SCC(C)O 62a_100009817359_100011218427 [1,1,0,0,0,0|2,0,0]=4 3967 B12R0.283 CCOC(=O)CC(C)SCC(C)O 62a_100011218427_100009817359 [1,1,0,0,0,0|2,0,0]=4 3968 B12R0.283 CCOC(=O)CC(C)SC[C@@H](C)O 62a_100009817359_100009817552 [1,1,0,0,0,0|2,0,0]=4 3969 B12R0.283 CCOC(=O)CC(C)SC[C@@H](C)O 62a_100009817552_100009817359 [1,1,0,0,0,0|2,0,0]=4 3970 B12R0.283 CCOC(=O)CN(C)CCC(C)C 2230a_100000220588_100000210312 [1,1,0,0,0,0|2,0,0]=4 3971 B12R0.283 CCOC(=O)CN(C)CCC(C)C 2230a_100000742789_100000188475 [1,1,0,0,0,0|2,0,0]=4 3972 B12R0.283 CCOC(=O)CN(C)CCC(C)C 269982a_100000742789_100000188475 [1,1,0,0,0,0|2,0,0]=4 3973 B12R0.283 CCOC(=O)CN(C)CCC(C)O 2230a_100000220588_100012276601 [1,1,0,0,0,0|2,0,0]=4 3974 B12R0.283 CCOC(=O)C[C@@H](C)OCC(C)C 7a_100009816390_100000210760 [1,1,0,0,0,0|2,0,0]=4 3975 B12R0.283 CCOC(=O)C[C@@H](C)OCC(C)O 7a_100009816390_100011218427 [1,1,0,0,0,0|2,0,0]=4 3976 B12R0.283 CCOC(=O)C[C@@H](C)OC[C@@H](C)O 7a_100009816390_100009817552 [1,1,0,0,0,0|2,0,0]=4 3977 B12R0.283 CCOC(=O)C[C@H](O)CNC(C)C 34a_100138425928_100000688340 [1,1,0,0,0,0|1,0,0]=3 3978 B12R0.283 CCOC(=O)C[C@H](O)COC(C)C 34a_100000212225_100000688340 [1,1,0,0,0,0|1,0,0]=3 3979 B12R0.283 CCOC(=O)C[C@H](O)CSC(C)C 62a_100000210206_100000688340 [1,1,0,0,0,0|1,0,0]=3 3980 B12R0.283 CCOC(=O)C[C@H](O)CSC(C)C 62a_100000688340_100000210206 [1,1,0,0,0,0|1,0,0]=3 3981 B12R0.353 CCCCC(=O)C(C)C(=O)OCC 1458a_100000210183_100011216346 [1,1,0,0,0,0|0,0,2]=4 3982 B12R0.353 CCCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000210211 [1,1,0,0,0,0|0,0,2]=4 3983 B12R0.353 CCCCC(=O)C(F)C(=O)OCC 1458a_100000210183_100000760018 [1,1,0,0,0,0|0,0,2]=4 3984 B12R0.353 CCCCN(C)C(C)C(=O)OCC 2230a_100000207549_100011215307 [1,1,0,0,0,0|2,0,0]=4 3985 B12R0.353 CCCCN(C)C(C)C(=O)OCC 269982a_100000207549_100011216346 [1,1,0,0,0,0|2,0,0]=4 3986 B12R0.353 CCCCN(C)C(F)C(=O)OCC 2230a_100000207549_100000760018 [1,1,0,0,0,0|2,0,0]=4 3987 B12R0.353 CCCCN(C)C(F)C(=O)OCC 269982a_100000207549_100000760018 [1,1,0,0,0,0|2,0,0]=4 3988 B12R0.607 CCCCC(CC)CC(=O)CCC 1458a_100000211992_100000211942 [1,1,0,0,0,0|2,0,0]=4 3989 B12R0.607 CCCCN(CC)CC(=O)OCC 2230a_100000207695_100000188475 [1,1,0,0,0,0|2,0,0]=4 3990 B12R0.607 CCCCN(CC)CC(=O)OCC 2230a_100000220607_100000210211 [1,1,0,0,0,0|2,0,0]=4 3991 B12R0.607 CCCCN(CC)CC(=O)OCC 269982a_100000207695_100000188475 [1,1,0,0,0,0|2,0,0]=4 3992 B12R0.607 CCCCN(CC)CC(=O)OCC 269982a_100000220607_100000210211 [1,1,0,0,0,0|2,0,0]=4 3993 B12R0.607 CCCC[C@@H](CO)NC(=O)CCC 240690a_100011934283_100000211992 [1,1,0,0,0,0|2,0,0]=4 3994 B12R0.607 CCCC[C@@H](CO)NC(=O)CCC 527a_100011934283_100000211992 [1,1,0,0,0,0|2,0,0]=4 3995 B12R0.607 CCCC[C@@H](CO)NC(=O)NCC 2708a_100015525214_100011934283 [1,1,0,0,0,0|2,0,0]=4 3996 B12R0.607 CCCC[C@@H](CO)NC(=O)NCC 273464a_100011934283_100015525214 [1,1,0,0,0,0|2,0,0]=4 3997 B12R0.607 CCCC[C@@H](CO)NC(=O)NCC 273464a_100015525214_100011934283 [1,1,0,0,0,0|2,0,0]=4 3998 B12R0.607 CCCC[C@@H](CO)NC(=O)NCC 512a_100011934283_100015525214 [1,1,0,0,0,0|2,0,0]=4 3999 B12R0.607 CCCC[C@@H](CO)NC(=O)NCC 512a_100015525214_100011934283 [1,1,0,0,0,0|2,0,0]=4 4000 B12R0.607 CCCO[C@H](CCl)CC(=O)OCC 7a_100000688340_100000210303 [1,1,0,0,0,0|2,0,0]=4 4001 B12R0.661 CCCOC(C)(C)CC(=O)OCC 7a_100000765344_100000210303 [1,1,0,0,0,0|2,0,0]=4 4002 B12R0.47 CC/C=C\CNC(C)CCCCC 2230a_100000211957_100103147603 [1,1,0,0,0,0|2,0,0]=4 4003 B12R0.47 CC/C=C\COC(C)CCCCC 34a_100011215632_100103147603 [1,1,0,0,0,0|2,0,0]=4 4004 B12R0.47 CC/C=C\COC(C)CCCCC 34a_100016268518_200011218191 [1,1,0,0,0,0|2,0,0]=4 4005 B12R0.47 CC/C=C\COC(C)CCCCC 7a_100011215632_100103147603 [1,1,0,0,0,0|2,0,0]=4 4006 B12R0.47 CC/C=C\CSC(C)CCCCC 62a_100103147603_200011218191 [1,1,0,0,0,0|2,0,0]=4 4007 B12R0.47 CC/C=C\CSC(C)CCCCC 62a_200011218191_100103147603 [1,1,0,0,0,0|2,0,0]=4 4008 B12R0.47 CCCCCC(C)NCCOCC 2230a_100000211957_100011215890 [1,1,0,0,0,0|1,0,1]=4 4009 B12R0.47 CCCCCC(C)NCCOCC 2230a_102516460346_200011218191 [1,1,0,0,0,0|1,0,1]=4 4010 B12R0.47 CCCCCC(C)NCCOCC 270004a_102516460346_100000211708 [1,1,0,0,0,0|1,0,1]=4 4011 B12R0.47 CCCCCC(C)NCCOCC 34a_102516460346_200011218191 [1,1,0,0,0,0|1,0,1]=4 4012 B12R0.47 CCCCCC(C)OCCOCC 34a_100000210136_200011218191 [1,1,0,0,0,0|1,0,1]=4 4013 B12R0.47 CCCCCC(C)OCCOCC 34a_100011215632_100000210147 [1,1,0,0,0,0|1,0,1]=4 4014 B12R0.47 CCCCCC(C)OCCOCC 7a_100000210136_200011218191 [1,1,0,0,0,0|1,0,1]=4 4015 B12R0.47 CCCCCC(C)OCCOCC 7a_100011215632_100011215890 [1,1,0,0,0,0|1,0,1]=4 4016 B12R0.47 CCCCCC(C)SCCOCC 62a_100000210147_200011218191 [1,1,0,0,0,0|1,0,1]=4 4017 B12R0.47 CCCCCC(C)SCCOCC 62a_200011218191_100011215890 [1,1,0,0,0,0|1,0,1]=4 4018 B12R0.47 CCCCCCC(C)CCOCC 34a_200011024964_100000210202 [1,1,0,0,0,0|1,0,1]=4 4019 B12R0.47 CCCCCCC(C)CCOCC 7a_200011024964_100000210202 [1,1,0,0,0,0|1,0,1]=4 4020 B12R0.47 CCCCCNC(C)CCOCC 270004a_100000209983_200011216536 [1,1,0,0,0,0|1,0,1]=4 4021 B12R0.117 CCCCCC(CCCCC)OC 34a_200011216036_200000210301 [1,1,0,0,0,0|1,0,1]=4 4022 B12R0.117 CCCCCC(CCCCC)OC 7a_200011216036_200000210301 [1,1,0,0,0,0|1,0,1]=4 4023 B12R0.117 CCCCCC(CCCCC)O[13CH3] 34a_200011216036_200025704644 [1,1,0,0,0,0|1,0,1]=4 4024 B12R0.117 CCCCCC(CCCCC)O[13CH3] 7a_200011216036_200025704644 [1,1,0,0,0,0|1,0,1]=4 4025 B12R0.233 CCOCCC(C)CCCC(C)C 34a_100000015991_100000210202 [1,1,0,0,0,0|1,0,1]=4 4026 B12R0.233 CCOCCC(C)CCCC(C)C 34a_100121572206_100009816328 [1,1,0,0,0,0|1,0,1]=4 4027 B12R0.233 CCOCCC(C)CCCC(C)C 7a_100000015991_100000210202 [1,1,0,0,0,0|1,0,1]=4 4028 B12R0.110 CCCCCC(=O)C(C)C(=O)CC 1458a_100000212188_100000742827 [1,1,0,0,0,0|0,0,2]=4 4029 B12R0.110 CCCCCC(=O)C(C)C(=O)OC 1458a_100000212188_100000211248 [1,1,0,0,0,0|0,0,2]=4 4030 B12R0.110 CCCCCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210326 [1,1,0,0,0,0|0,0,2]=4 4031 B12R0.110 CCCCCN(C)C(C)C(=O)CC 2230a_100000223495_100000742827 [1,1,0,0,0,0|2,0,0]=4 4032 B12R0.110 CCCCCN(C)C(C)C(=O)CC 269982a_100000223495_100000742827 [1,1,0,0,0,0|2,0,0]=4 4033 B12R0.110 CCCCCN(C)C(C)C(=O)OC 2230a_100000223495_100000211248 [1,1,0,0,0,0|2,0,0]=4 4034 B12R0.110 CCCCCN(C)C(C)C(=O)OC 2230a_100000725243_100000210326 [1,1,0,0,0,0|2,0,0]=4 4035 B12R0.110 CCCCCN(C)C(C)C(=O)OC 269982a_100000223495_100000211248 [1,1,0,0,0,0|2,0,0]=4 4036 B12R0.110 CCCCCN(C)C(C)C(=O)OC 269982a_100000725243_100000210215 [1,1,0,0,0,0|2,0,0]=4 4037 B12R0.110 CCCCO[C@H](C)[C@H](N)C(=O)OC 34a_100000004424_100000210210 [1,1,0,0,0,0|2,0,0]=4 4038 B12R0.113 C#CCCNC[C@H](O)CC(=O)OC 34a_100000755551_100000754131 [1,1,0,0,0,0|0,0,2]=4 4039 B12R0.113 C#CCCOC[C@H](O)CC(=O)OC 34a_100011215631_100000754131 [1,1,0,0,0,0|0,0,2]=4 4040 B12R0.113 C#CCCSC[C@H](O)CC(=O)OC 62a_100000688953_100000754131 [1,1,0,0,0,0|0,0,2]=4 4041 B12R0.113 C#CCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000688953 [1,1,0,0,0,0|0,0,2]=4 4042 B12R0.113 C/C=C/COC[C@H](O)CC(=O)OC 34a_100016270725_100000754131 [1,1,0,0,0,0|0,0,2]=4 4043 B12R0.113 C/C=C/CSC[C@H](O)CC(=O)OC 62a_100000754131_100102629194 [1,1,0,0,0,0|0,0,2]=4 4044 B12R0.113 C/C=C/CSC[C@H](O)CC(=O)OC 62a_100102629194_100000754131 [1,1,0,0,0,0|0,0,2]=4 4045 B12R0.113 C=CCCOC[C@H](O)CC(=O)OC 34a_100011205117_100000754131 [1,1,0,0,0,0|0,0,2]=4 4046 B12R0.113 C=CCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000754431 [1,1,0,0,0,0|0,0,2]=4 4047 B12R0.113 C=CCCSC[C@H](O)CC(=O)OC 62a_100000754431_100000754131 [1,1,0,0,0,0|0,0,2]=4 4048 B12R0.113 CC#CCNC[C@H](O)CC(=O)OC 34a_100000685387_100000754131 [1,1,0,0,0,0|0,0,2]=4 4049 B12R0.113 CC#CCOC[C@H](O)CC(=O)OC 34a_100000761923_100000754131 [1,1,0,0,0,0|0,0,2]=4 4050 B12R0.113 CC#CCSC[C@H](O)CC(=O)OC 62a_100000748600_100000754131 [1,1,0,0,0,0|0,0,2]=4 4051 B12R0.113 CC#CCSC[C@H](O)CC(=O)OC 62a_100000754131_100000748600 [1,1,0,0,0,0|0,0,2]=4 4052 B12R0.113 CC=CCSC[C@H](O)CC(=O)OC 62a_100000070051_100000754131 [1,1,0,0,0,0|0,0,2]=4 4053 B12R0.113 CC=CCSC[C@H](O)CC(=O)OC 62a_100000754131_100000070051 [1,1,0,0,0,0|0,0,2]=4 4054 B12R0.113 CCC(=O)CC(=O)CCCCCO 1458a_100102619762_100000747405 [1,1,0,0,0,0|0,0,2]=4 4055 B12R0.113 CCC(=O)CN(C)CCCCCO 269982a_100000722520_100000747405 [1,1,0,0,0,0|2,0,0]=4 4056 B12R0.113 CCCCCCC(=O)CC(=O)CC 1458a_100102632555_100000747405 [1,1,0,0,0,0|0,0,2]=4 4057 B12R0.113 CCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210757 [1,1,0,0,0,0|0,0,2]=4 4058 B12R0.113 CCCCCCC(=O)CC(=O)OC 1458a_100102632555_100000747449 [1,1,0,0,0,0|0,0,2]=4 4059 B12R0.113 CCCCCCC(C)NC(=O)CC 11a_100000210919_100000210414 [1,1,0,0,0,0|2,0,0]=4 4060 B12R0.113 CCCCCCC(C)NC(=O)CC 1626a_100000210919_100000210414 [1,1,0,0,0,0|2,0,0]=4 4061 B12R0.113 CCCCCCC(C)NC(=O)CC 240690a_100000210919_100000210414 [1,1,0,0,0,0|2,0,0]=4 4062 B12R0.113 CCCCCCC(C)NC(=O)CC 527a_100000210919_100000210414 [1,1,0,0,0,0|2,0,0]=4 4063 B12R0.113 CCCCCCN(C)CC(=O)CC 269982a_106256046315_100000747405 [1,1,0,0,0,0|2,0,0]=4 4064 B12R0.113 CCCCCCN(C)CC(=O)OC 2230a_100000198492_100000210314 [1,1,0,0,0,0|2,0,0]=4 4065 B12R0.113 CCCCCCN(C)CC(=O)OC 2230a_106256046315_100000747449 [1,1,0,0,0,0|2,0,0]=4 4066 B12R0.113 CCCCCCN(C)CC(=O)OC 269982a_106256046315_100000747449 [1,1,0,0,0,0|2,0,0]=4 4067 B12R0.113 CCCCCNC(=O)CC(=O)CC 1458a_100000210414_100000230301 [1,1,0,0,0,0|0,0,2]=4 4068 B12R0.113 CCCCCNC(=O)CC(=O)OC 240690a_100000209983_100000211351 [1,1,0,0,0,0|0,0,2]=4 4069 B12R0.113 CCCCCNC(C)CC(=O)OC 2230a_100000209983_100009817358 [1,1,0,0,0,0|1,0,0]=3 4070 B12R0.113 CCCCCOC(C)CC(=O)OC 34a_100000210253_100009817358 [1,1,0,0,0,0|1,0,0]=3 4071 B12R0.113 CCCCCOC(C)CC(=O)OC 7a_100000210253_100009817358 [1,1,0,0,0,0|1,0,0]=3 4072 B12R0.113 CCCCCSC(C)CC(=O)OC 62a_100000210326_100009817358 [1,1,0,0,0,0|1,0,0]=3 4073 B12R0.113 CCCCCSC(C)CC(=O)OC 62a_100009817358_100000210326 [1,1,0,0,0,0|1,0,0]=3 4074 B12R0.113 CCCCNC[C@H](O)CC(=O)OC 7a_106832991798_100000754131 [1,1,0,0,0,0|0,0,0]=2 4075 B12R0.113 CCCCOCC(=O)CC(=O)CC 1458a_100000757543_100000747405 [1,1,0,0,0,0|0,0,2]=4 4076 B12R0.113 CCCCOCC(=O)CC(=O)OC 1458a_100000211351_100011995733 [1,1,0,0,0,0|0,0,2]=4 4077 B12R0.113 CCCCOCC(=O)CC(=O)OC 1458a_100000757543_100000747449 [1,1,0,0,0,0|0,0,2]=4 4078 B12R0.113 CCCCOCN(C)CC(=O)OC 2230a_100000198492_100011995733 [1,1,0,0,0,0|2,0,0]=4 4079 B12R0.113 CCCCOC[C@H](O)CC(=O)OC 34a_100000210227_100000754131 [1,1,0,0,0,0|0,0,0]=2 4080 B12R0.113 CCCCOC[C@H](O)CC(=O)OC 7a_100000210227_100000754131 [1,1,0,0,0,0|0,0,0]=2 4081 B12R0.113 CCCCSCC(=O)CC(=O)CC 1458a_100000191162_100000747405 [1,1,0,0,0,0|0,0,2]=4 4082 B12R0.113 CCCCSCC(=O)CC(=O)OC 1458a_100000191162_100000747449 [1,1,0,0,0,0|0,0,2]=4 4083 B12R0.113 CCCCSCC(=O)CC(=O)OC 62a_100000210211_100000210525 [1,1,0,0,0,0|0,0,2]=4 4084 B12R0.113 CCCCSCC(=O)CC(=O)OC 62a_100000210525_100000210210 [1,1,0,0,0,0|0,0,2]=4 4085 B12R0.113 CCCCSC[C@H](O)CC(=O)OC 62a_100000210211_100000754131 [1,1,0,0,0,0|0,0,0]=2 4086 B12R0.113 CCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210210 [1,1,0,0,0,0|0,0,0]=2 4087 B12R0.113 CCCOCCC(=O)CC(=O)OC 1458a_100000211351_100011215938 [1,1,0,0,0,0|0,0,2]=4 4088 B12R0.113 CCCOCCN(C)CC(=O)OC 2230a_100000198492_100011215938 [1,1,0,0,0,0|2,0,0]=4 4089 B12R0.113 CCOCCCC(=O)CC(=O)OC 1458a_100000211351_100012232248 [1,1,0,0,0,0|0,0,2]=4 4090 B12R0.113 CCOCCCN(C)CC(=O)OC 2230a_100000198492_100012232248 [1,1,0,0,0,0|2,0,0]=4 4091 B12R0.113 CCOCCNC(C)CC(=O)OC 2230a_102516460346_100009817358 [1,1,0,0,0,0|2,0,0]=4 4092 B12R0.113 CCOCCNC(C)CC(=O)OC 34a_102516460346_100009817358 [1,1,0,0,0,0|2,0,0]=4 4093 B12R0.113 CCOCCOC(C)CC(=O)OC 34a_100000210136_100009817358 [1,1,0,0,0,0|2,0,0]=4 4094 B12R0.113 CCOCCOC(C)CC(=O)OC 7a_100000210136_100009817358 [1,1,0,0,0,0|2,0,0]=4 4095 B12R0.113 CCOCCSC(C)CC(=O)OC 62a_100000210147_100009817358 [1,1,0,0,0,0|2,0,0]=4 4096 B12R0.113 CCOCCSC(C)CC(=O)OC 62a_100009817358_100011215890 [1,1,0,0,0,0|2,0,0]=4 4097 B12R0.113 CCOCSC[C@H](O)CC(=O)OC 62a_100000739092_100000754131 [1,1,0,0,0,0|1,0,0]=3 4098 B12R0.113 CCOCSC[C@H](O)CC(=O)OC 62a_100000754131_100000739092 [1,1,0,0,0,0|1,0,0]=3 4099 B12R0.113 CCSCCNC(C)CC(=O)OC 2230a_100000106463_100009817358 [1,1,0,0,0,0|2,0,0]=4 4100 B12R0.113 CCSCCOC(C)CC(=O)OC 34a_100000212035_100009817358 [1,1,0,0,0,0|2,0,0]=4 4101 B12R0.113 CCSCCOC(C)CC(=O)OC 7a_100000212035_100009817358 [1,1,0,0,0,0|2,0,0]=4 4102 B12R0.113 CCSCCSC(C)CC(=O)OC 62a_100000757381_100009817358 [1,1,0,0,0,0|2,0,0]=4 4103 B12R0.113 CCSCCSC(C)CC(=O)OC 62a_100009817358_100000757381 [1,1,0,0,0,0|2,0,0]=4 4104 B12R0.113 CNCCCOC(C)CC(=O)OC 34a_100000213112_100009817358 [1,1,0,0,0,0|2,0,0]=4 4105 B12R0.113 COC(=O)CC(=O)CCCCCF 1458a_100000211351_100000729378 [1,1,0,0,0,0|0,0,2]=4 4106 B12R0.113 COC(=O)CC(=O)CCCCCO 1458a_100000211351_100000746330 [1,1,0,0,0,0|0,0,2]=4 4107 B12R0.113 COC(=O)CC(=O)CCCCCO 1458a_100102619762_100000747449 [1,1,0,0,0,0|0,0,2]=4 4108 B12R0.113 COC(=O)CC(C)NCCCCO 2230a_100000750430_100009817358 [1,1,0,0,0,0|2,0,0]=4 4109 B12R0.113 COC(=O)CC(C)NCCCCO 34a_100000750430_100009817358 [1,1,0,0,0,0|2,0,0]=4 4110 B12R0.113 COC(=O)CC(C)NCCCSC 2230a_100000749238_100009817358 [1,1,0,0,0,0|2,0,0]=4 4111 B12R0.113 COC(=O)CC(C)OCCCCBr 34a_100011216708_100009817358 [1,1,0,0,0,0|2,0,0]=4 4112 B12R0.113 COC(=O)CC(C)OCCCCCl 34a_100000210776_100009817358 [1,1,0,0,0,0|2,0,0]=4 4113 B12R0.113 COC(=O)CC(C)OCCCCCl 7a_100000210776_100009817358 [1,1,0,0,0,0|2,0,0]=4 4114 B12R0.113 COC(=O)CC(C)OCCCCF 34a_100011995726_100009817358 [1,1,0,0,0,0|2,0,0]=4 4115 B12R0.113 COC(=O)CC(C)OCCCCF 7a_100011995726_100009817358 [1,1,0,0,0,0|2,0,0]=4 4116 B12R0.113 COC(=O)CC(C)OCCCCI 34a_200012148704_100009817358 [1,1,0,0,0,0|2,0,0]=4 4117 B12R0.113 COC(=O)CC(C)OCCCCN 34a_100000750430_100009817358 [1,1,0,0,0,0|2,0,0]=4 4118 B12R0.113 COC(=O)CC(C)OCCCSC 34a_100000690336_100009817358 [1,1,0,0,0,0|2,0,0]=4 4119 B12R0.113 COC(=O)CC(C)OCCCSC 7a_100000690336_100009817358 [1,1,0,0,0,0|2,0,0]=4 4120 B12R0.113 COC(=O)CC(C)SCCCCF 62a_100000729493_100009817358 [1,1,0,0,0,0|2,0,0]=4 4121 B12R0.113 COC(=O)CC(C)SCCCCF 62a_100009817358_100000729493 [1,1,0,0,0,0|2,0,0]=4 4122 B12R0.113 COC(=O)CC(C)SCCCCO 62a_100000210776_100009817358 [1,1,0,0,0,0|2,0,0]=4 4123 B12R0.113 COC(=O)CC(C)SCCCCO 62a_100009817358_100000210776 [1,1,0,0,0,0|2,0,0]=4 4124 B12R0.113 COC(=O)CN(C)CCCCCF 2230a_100000198492_100000729378 [1,1,0,0,0,0|2,0,0]=4 4125 B12R0.113 COC(=O)CN(C)CCCCCO 2230a_100000198492_100000746330 [1,1,0,0,0,0|2,0,0]=4 4126 B12R0.113 COC(=O)CN(C)CCCCCO 2230a_100000722520_100000747449 [1,1,0,0,0,0|2,0,0]=4 4127 B12R0.113 COC(=O)CN(C)CCCCCO 269982a_100000722520_100000747449 [1,1,0,0,0,0|2,0,0]=4 4128 B12R0.113 COC(=O)C[C@@H](O)CNCCCF 34a_100015189416_100000754131 [1,1,0,0,0,0|1,0,0]=3 4129 B12R0.113 COC(=O)C[C@@H](O)COCCCBr 34a_100011217188_100000754131 [1,1,0,0,0,0|1,0,0]=3 4130 B12R0.113 COC(=O)C[C@@H](O)COCCCCl 34a_100000230001_100000754131 [1,1,0,0,0,0|1,0,0]=3 4131 B12R0.113 COC(=O)C[C@@H](O)COCCCF 34a_100000759539_100000754131 [1,1,0,0,0,0|1,0,0]=3 4132 B12R0.113 COC(=O)C[C@@H](O)COCCCN 34a_100000182051_100000754131 [1,1,0,0,0,0|1,0,0]=3 4133 B12R0.113 COC(=O)C[C@@H](O)COCCON 34a_100000700252_100000754131 [1,1,0,0,0,0|2,0,0]=4 4134 B12R0.113 COC(=O)C[C@@H](O)COCCSC 34a_100000230434_100000754131 [1,1,0,0,0,0|1,0,0]=3 4135 B12R0.113 COC(=O)C[C@@H](O)COCCSC 7a_100000230434_100000754131 [1,1,0,0,0,0|1,0,0]=3 4136 B12R0.113 COC(=O)C[C@@H](O)CSCCC#N 62a_100000754131_100011215226 [1,1,0,0,0,0|1,0,1]=4 4137 B12R0.113 COC(=O)C[C@@H](O)CSCCC#N 62a_100011215226_100000754131 [1,1,0,0,0,0|1,0,1]=4 4138 B12R0.113 COC(=O)C[C@@H](O)CSCCCF 62a_100000754131_100011934791 [1,1,0,0,0,0|1,0,0]=3 4139 B12R0.113 COC(=O)C[C@@H](O)CSCCCF 62a_100011934791_100000754131 [1,1,0,0,0,0|1,0,0]=3 4140 B12R0.113 COC(=O)C[C@@H](O)CSCCCO 62a_100000754131_100011215043 [1,1,0,0,0,0|1,0,0]=3 4141 B12R0.113 COC(=O)C[C@@H](O)CSCCCO 62a_100011215043_100000754131 [1,1,0,0,0,0|1,0,0]=3 4142 B12R0.113 COC(=O)C[C@@H](O)CSCCSC 62a_100000212216_100000754131 [1,1,0,0,0,0|1,0,0]=3 4143 B12R0.113 COC(=O)C[C@@H](O)CSCCSC 62a_100000754131_100000751147 [1,1,0,0,0,0|1,0,0]=3 4144 B12R0.113 COCCCCC(=O)CC(=O)OC 1458a_100000211351_100000755781 [1,1,0,0,0,0|0,0,2]=4 4145 B12R0.113 COCCCCN(C)CC(=O)OC 2230a_100000198492_100000730899 [1,1,0,0,0,0|2,0,0]=4 4146 B12R0.113 COCCCNC(C)CC(=O)OC 34a_100150723488_100009817358 [1,1,0,0,0,0|2,0,0]=4 4147 B12R0.113 COCCCOC(C)CC(=O)OC 34a_100000740835_100009817358 [1,1,0,0,0,0|2,0,0]=4 4148 B12R0.113 COCCCSC(C)CC(=O)OC 62a_100000709357_100009817358 [1,1,0,0,0,0|2,0,0]=4 4149 B12R0.113 COCCCSC(C)CC(=O)OC 62a_100009817358_100000709357 [1,1,0,0,0,0|2,0,0]=4 4150 B12R0.113 COCCOC[C@H](O)CC(=O)OC 34a_100000210237_100000754131 [1,1,0,0,0,0|1,0,0]=3 4151 B12R0.113 COCCSC[C@H](O)CC(=O)OC 62a_100000233755_100000754131 [1,1,0,0,0,0|1,0,0]=3 4152 B12R0.113 COCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000233755 [1,1,0,0,0,0|1,0,0]=3 4153 B12R0.123 CCCCCC(=O)CC(=O)C(C)C 1458a_100000210198_200012276598 [1,1,0,0,0,0|0,0,2]=4 4154 B12R0.123 CCCCCC(=O)CC(=O)C(C)C 1458a_100000212188_100000753385 [1,1,0,0,0,0|0,0,2]=4 4155 B12R0.123 CCCCCC(=O)CC(=O)C(C)F 1458a_100000062450_200012276598 [1,1,0,0,0,0|0,0,2]=4 4156 B12R0.123 CCCCCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_200012276598 [1,1,0,0,0,0|0,0,2]=4 4157 B12R0.123 CCCCCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_200012276598 [1,1,0,0,0,0|0,0,2]=4 4158 B12R0.123 CCCCCC(C)NC(=O)C(C)C 11a_100000211957_100000210198 [1,1,0,0,0,0|2,0,0]=4 4159 B12R0.123 CCCCCC(C)NC(=O)C(C)C 1626a_100000211957_100000210198 [1,1,0,0,0,0|2,0,0]=4 4160 B12R0.123 CCCCCC(C)NC(=O)C(C)C 240690a_100000211957_100000210198 [1,1,0,0,0,0|2,0,0]=4 4161 B12R0.123 CCCCCC(C)NC(=O)C(C)C 527a_100000211957_100000210198 [1,1,0,0,0,0|2,0,0]=4 4162 B12R0.123 CCCCCC(C)NC(=O)C(C)F 11a_100000211957_100000062450 [1,1,0,0,0,0|2,0,0]=4 4163 B12R0.123 CCCCCC(C)NC(=O)C(C)F 1626a_100000211957_100000062450 [1,1,0,0,0,0|2,0,0]=4 4164 B12R0.123 CCCCCC(C)NC(=O)C(C)F 240690a_100000211957_100000062450 [1,1,0,0,0,0|2,0,0]=4 4165 B12R0.123 CCCCCC(C)NC(=O)C(C)F 527a_100000211957_100000062450 [1,1,0,0,0,0|2,0,0]=4 4166 B12R0.123 CCCCCC(C)NC(=O)[C@@H](C)O 240690a_100000211957_100000717761 [1,1,0,0,0,0|2,0,0]=4 4167 B12R0.123 CCCCCC(C)NC(=O)[C@H](C)O 1626a_100000211957_217856618621 [1,1,0,0,0,0|2,0,0]=4 4168 B12R0.123 CCCCCC(C)NC(=O)[C@H](C)O 240690a_100000211957_217856618621 [1,1,0,0,0,0|2,0,0]=4 4169 B12R0.123 CCCCCN(C)CC(=O)C(C)C 2230a_100000223495_100000753385 [1,1,0,0,0,0|2,0,0]=4 4170 B12R0.123 CCCCCN(C)CC(=O)C(C)C 269982a_100000223495_100000753385 [1,1,0,0,0,0|2,0,0]=4 4171 B12R0.126 CCCCO[C@@H](CC)CC(=O)OC 7a_200015357724_100000210211 [1,1,0,0,0,0|2,0,0]=4 4172 B12R0.126 CCCCO[C@@H](CCl)CC(=O)OC 7a_100000754131_100000210211 [1,1,0,0,0,0|2,0,0]=4 4173 B12R0.147 CCC(=O)CC(=O)CCC(C)CC 1458a_100000701222_100000747405 [1,1,0,0,0,0|0,0,2]=4 4174 B12R0.147 CCC(=O)NCC(O)CC(=O)OC 188690a_100025770978_100000210414 [1,1,0,0,0,0|1,0,1]=4 4175 B12R0.147 CCC(C)CCC(=O)CC(=O)OC 1458a_100000701222_100000747449 [1,1,0,0,0,0|0,0,2]=4 4176 B12R0.147 CCC(C)CNC(C)CC(=O)OC 2230a_100020588543_100009817358 [1,1,0,0,0,0|2,0,0]=4 4177 B12R0.147 CCC(C)CSC(C)CC(=O)OC 62a_100000748023_100009817358 [1,1,0,0,0,0|2,0,0]=4 4178 B12R0.147 CCC(C)CSC(C)CC(=O)OC 62a_100009817358_100000748023 [1,1,0,0,0,0|2,0,0]=4 4179 B12R0.147 CCC(C)OC[C@H](O)CC(=O)OC 7a_100000210228_100000754131 [1,1,0,0,0,0|1,0,0]=3 4180 B12R0.147 CCC(C)SC[C@H](O)CC(=O)OC 62a_100000754131_100000758301 [1,1,0,0,0,0|1,0,0]=3 4181 B12R0.147 CCC(C)SC[C@H](O)CC(=O)OC 62a_100000758301_100000754131 [1,1,0,0,0,0|1,0,0]=3 4182 B12R0.147 CCC(O)CNC(C)CC(=O)OC 2230a_100011218483_100009817358 [1,1,0,0,0,0|2,0,0]=4 4183 B12R0.147 CCC(O)CSC(C)CC(=O)OC 62a_100009817358_100011218378 [1,1,0,0,0,0|2,0,0]=4 4184 B12R0.147 CCC(O)CSC(C)CC(=O)OC 62a_100011218378_100009817358 [1,1,0,0,0,0|2,0,0]=4 4185 B12R0.147 CC[C@H](C)COC(C)CC(=O)OC 7a_100009816381_100009817358 [1,1,0,0,0,0|2,0,0]=4 4186 B12R0.147 CC[C@H](C)CSC(C)CC(=O)OC 62a_100009816398_100009817358 [1,1,0,0,0,0|2,0,0]=4 4187 B12R0.147 CC[C@H](C)CSC(C)CC(=O)OC 62a_100009817358_100009816398 [1,1,0,0,0,0|2,0,0]=4 4188 B12R0.147 COC(=O)C[C@@H](O)COC(C)CF 34a_100016041109_100000754131 [1,1,0,0,0,0|2,0,0]=4 4189 B12R0.147 COC(=O)C[C@@H](O)COC(C)CF 7a_100016041109_100000754131 [1,1,0,0,0,0|2,0,0]=4 4190 B12R0.147 COC(=O)C[C@@H](O)COC(C)CN 34a_100000210904_100000754131 [1,1,0,0,0,0|2,0,0]=4 4191 B12R0.147 COC(=O)C[C@@H](O)CSC(C)CO 62a_100012180447_100000754131 [1,1,0,0,0,0|2,0,0]=4 4192 B12R0.147 COC(=O)C[C@@H](O)CSC(C)OC 62a_100000754131_100009879195 [1,1,0,0,0,0|2,0,0]=4 4193 B12R0.147 COC(=O)C[C@@H](O)CSC(C)OC 62a_100009879195_100000754131 [1,1,0,0,0,0|2,0,0]=4 4194 B12R0.147 COC(=O)C[C@@H](O)CS[C@H](C)CO 62a_100000754131_100016084084 [1,1,0,0,0,0|2,0,0]=4 4195 B12R0.147 COC(=O)C[C@@H](O)CS[C@H](C)CO 62a_100016084084_100000754131 [1,1,0,0,0,0|2,0,0]=4 4196 B12R0.240 C=C(C)COC[C@H](O)CC(=O)OC 34a_100000210245_100000754131 [1,1,0,0,0,0|1,0,1]=4 4197 B12R0.240 C=C(C)CSC[C@H](O)CC(=O)OC 62a_100000748629_100000754131 [1,1,0,0,0,0|1,0,1]=4 4198 B12R0.240 C=C(C)CSC[C@H](O)CC(=O)OC 62a_100000754131_100000211660 [1,1,0,0,0,0|1,0,1]=4 4199 B12R0.240 CCC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000747405 [1,1,0,0,0,0|0,0,2]=4 4200 B12R0.240 CCC(=O)NC(C)CCCC(C)C 11a_100000210607_100000210414 [1,1,0,0,0,0|2,0,0]=4 4201 B12R0.240 CCC(=O)NC(C)CCCC(C)C 1626a_100000210607_100000210414 [1,1,0,0,0,0|2,0,0]=4 4202 B12R0.240 CCC(=O)NC(C)CCCC(C)C 240690a_100000210607_100000210414 [1,1,0,0,0,0|2,0,0]=4 4203 B12R0.240 CCC(=O)NC(C)CCCC(C)C 527a_100000210607_100000210414 [1,1,0,0,0,0|2,0,0]=4 4204 B12R0.240 COC(=O)CC(=O)CCCC(C)C 1458a_100000211351_100011214892 [1,1,0,0,0,0|0,0,2]=4 4205 B12R0.240 COC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000747449 [1,1,0,0,0,0|0,0,2]=4 4206 B12R0.240 COC(=O)CC(=O)CCCC(C)O 1458a_100000211351_200000718107 [1,1,0,0,0,0|0,0,2]=4 4207 B12R0.240 COC(=O)CC(C)NCCC(C)O 2230a_200000755665_100009817358 [1,1,0,0,0,0|2,0,0]=4 4208 B12R0.240 COC(=O)CC(C)OCCC(C)Br 34a_100009893172_100009817358 [1,1,0,0,0,0|2,0,0]=4 4209 B12R0.240 COC(=O)CC(C)OCCC(C)C 34a_100000210254_100009817358 [1,1,0,0,0,0|2,0,0]=4 4210 B12R0.240 COC(=O)CC(C)OCCC(C)C 7a_100000210254_100009817358 [1,1,0,0,0,0|2,0,0]=4 4211 B12R0.240 COC(=O)CC(C)OCC[C@@H](C)N 34a_100000706166_100009817358 [1,1,0,0,0,0|2,0,0]=4 4212 B12R0.240 COC(=O)CC(C)SCCC(C)C 62a_100000210312_100009817358 [1,1,0,0,0,0|2,0,0]=4 4213 B12R0.240 COC(=O)CC(C)SCCC(C)C 62a_100009817358_100000210312 [1,1,0,0,0,0|2,0,0]=4 4214 B12R0.240 COC(=O)CC(C)SCCC(C)O 62a_100009817358_100012276601 [1,1,0,0,0,0|2,0,0]=4 4215 B12R0.240 COC(=O)CC(C)SCCC(C)O 62a_100012276601_100009817358 [1,1,0,0,0,0|2,0,0]=4 4216 B12R0.240 COC(=O)CN(C)CCCC(C)C 2230a_100000198492_100011214892 [1,1,0,0,0,0|2,0,0]=4 4217 B12R0.240 COC(=O)CN(C)CCCC(C)O 2230a_100000198492_200000718107 [1,1,0,0,0,0|2,0,0]=4 4218 B12R0.240 COC(=O)C[C@@H](O)CNCC(C)C 34a_100000210953_100000754131 [1,1,0,0,0,0|1,0,0]=3 4219 B12R0.240 COC(=O)C[C@@H](O)CNCC(C)O 34a_100000210904_100000754131 [1,1,0,0,0,0|1,0,0]=3 4220 B12R0.240 COC(=O)C[C@@H](O)CNCC(F)F 34a_100000765723_100000754131 [1,1,0,0,0,0|2,0,0]=4 4221 B12R0.240 COC(=O)C[C@@H](O)COCC(=O)C 34a_100000211253_100000754131 [1,1,0,0,0,0|1,0,1]=4 4222 B12R0.240 COC(=O)C[C@@H](O)COCC(C)Br 34a_100012180447_100000754131 [1,1,0,0,0,0|1,0,0]=3 4223 B12R0.240 COC(=O)C[C@@H](O)COCC(C)C 34a_100000210257_100000754131 [1,1,0,0,0,0|1,0,0]=3 4224 B12R0.240 COC(=O)C[C@@H](O)COCC(C)F 34a_100015925927_100000754131 [1,1,0,0,0,0|1,0,0]=3 4225 B12R0.240 COC(=O)C[C@@H](O)COCC(F)F 34a_100000743014_100000754131 [1,1,0,0,0,0|2,0,0]=4 4226 B12R0.240 COC(=O)C[C@@H](O)COC[C@@H](C)Cl 34a_100016084084_100000754131 [1,1,0,0,0,0|1,0,0]=3 4227 B12R0.240 COC(=O)C[C@@H](O)COC[C@@H](C)N 34a_100000737577_100000754131 [1,1,0,0,0,0|1,0,0]=3 4228 B12R0.240 COC(=O)C[C@@H](O)CSCC(C)C 62a_100000210624_100000754131 [1,1,0,0,0,0|1,0,0]=3 4229 B12R0.240 COC(=O)C[C@@H](O)CSCC(C)C 62a_100000754131_100000210760 [1,1,0,0,0,0|1,0,0]=3 4230 B12R0.240 COC(=O)C[C@@H](O)CSCC(C)O 62a_100000754131_100011218427 [1,1,0,0,0,0|1,0,0]=3 4231 B12R0.240 COC(=O)C[C@@H](O)CSCC(C)O 62a_100011218427_100000754131 [1,1,0,0,0,0|1,0,0]=3 4232 B12R0.240 COC(=O)C[C@@H](O)CSCC(F)F 62a_100000754131_100011934356 [1,1,0,0,0,0|2,0,0]=4 4233 B12R0.240 COC(=O)C[C@@H](O)CSCC(F)F 62a_100011934356_100000754131 [1,1,0,0,0,0|2,0,0]=4 4234 B12R0.240 COC(=O)C[C@@H](O)CSC[C@@H](C)O 62a_100000754131_100009817552 [1,1,0,0,0,0|1,0,0]=3 4235 B12R0.240 COC(=O)C[C@@H](O)CSC[C@@H](C)O 62a_100009817552_100000754131 [1,1,0,0,0,0|1,0,0]=3 4236 B12R0.252 CCCCC(=O)C(C)CC(=O)OC 1458a_100000037256_100000210211 [1,1,0,0,0,0|1,0,1]=4 4237 B12R0.252 CCCCC(C)C(=O)CC(=O)CC 1458a_100000725509_100000747405 [1,1,0,0,0,0|0,0,2]=4 4238 B12R0.252 CCCCC(C)C(=O)CC(=O)OC 1458a_100000211351_200011215066 [1,1,0,0,0,0|0,0,2]=4 4239 B12R0.252 CCCCC(C)C(=O)CC(=O)OC 1458a_100000725509_100000747449 [1,1,0,0,0,0|0,0,2]=4 4240 B12R0.252 CCCCC(C)N(C)CC(=O)OC 2230a_100000198492_200011215066 [1,1,0,0,0,0|2,0,0]=4 4241 B12R0.252 CCCCC(C)N(C)CC(=O)OC 270004a_100000198492_100000210087 [1,1,0,0,0,0|2,0,0]=4 4242 B12R0.252 CCCCC(O)C(=O)CC(=O)CC 1458a_100000720857_100000747405 [1,1,0,0,0,0|0,0,2]=4 4243 B12R0.252 CCCCC(O)C(=O)CC(=O)OC 1458a_100000720857_100000747449 [1,1,0,0,0,0|0,0,2]=4 4244 B12R0.252 CCCCN(C)C(C)CC(=O)OC 2230a_100000207549_100009817358 [1,1,0,0,0,0|2,0,0]=4 4245 B12R0.252 CCCCN(C)C(C)CC(=O)OC 269982a_100000207549_100009817358 [1,1,0,0,0,0|2,0,0]=4 4246 B12R0.657 CCCCOC(C)(C)CC(=O)OC 7a_100015205050_100000210211 [1,1,0,0,0,0|2,0,0]=4 4247 B12R0.54 CCOC(=O)C(C)NCCC(C)O 2230a_200000755665_100011215307 [0,1,0,0,1,0|2,0,0]=4 4248 B12R0.54 CCOC(=O)C(C)OCCC(C)Br 34a_100009893172_100011216346 [0,1,0,0,1,0|2,0,0]=4 4249 B12R0.54 CCOC(=O)C(C)OCCC(C)C 34a_100000210254_100011216346 [0,1,0,0,1,0|2,0,0]=4 4250 B12R0.54 CCOC(=O)C(C)OCCC(C)C 7a_100000210254_100011216346 [0,1,0,0,1,0|2,0,0]=4 4251 B12R0.54 CCOC(=O)C(C)OCC[C@@H](C)N 34a_100000706166_100011216346 [0,1,0,0,1,0|2,0,0]=4 4252 B12R0.54 CCOC(=O)C(C)SCCC(C)C 62a_100000210312_100011216346 [0,1,0,0,1,0|2,0,0]=4 4253 B12R0.54 CCOC(=O)C(C)SCCC(C)C 62a_100011216346_100000210312 [0,1,0,0,1,0|2,0,0]=4 4254 B12R0.54 CCOC(=O)C(C)SCCC(C)O 62a_100011216346_100012276601 [0,1,0,0,1,0|2,0,0]=4 4255 B12R0.54 CCOC(=O)C(C)SCCC(C)O 62a_100012276601_100011216346 [0,1,0,0,1,0|2,0,0]=4 4256 B12R0.54 CCOC(=O)C(F)NCCC(C)O 2230a_200000755665_100000760018 [0,1,0,0,1,0|2,0,0]=4 4257 B12R0.54 CCOC(=O)C(F)OCCC(C)Br 34a_100009893172_100000760018 [0,1,0,0,1,0|2,0,0]=4 4258 B12R0.54 CCOC(=O)C(F)OCCC(C)C 34a_100000210254_100000760018 [0,1,0,0,1,0|2,0,0]=4 4259 B12R0.54 CCOC(=O)C(F)OCCC(C)C 7a_100000210254_100000040065 [0,1,0,0,1,0|2,0,0]=4 4260 B12R0.54 CCOC(=O)C(F)OCC[C@@H](C)N 34a_100000706166_100000760018 [0,1,0,0,1,0|2,0,0]=4 4261 B12R0.54 CCOC(=O)C(F)SCCC(C)C 62a_100000210312_100000760018 [0,1,0,0,1,0|2,0,0]=4 4262 B12R0.54 CCOC(=O)C(F)SCCC(C)C 62a_100000760018_100000210312 [0,1,0,0,1,0|2,0,0]=4 4263 B12R0.54 CCOC(=O)C(F)SCCC(C)O 62a_100000760018_100012276601 [0,1,0,0,1,0|2,0,0]=4 4264 B12R0.54 CCOC(=O)C(F)SCCC(C)O 62a_100012276601_100000760018 [0,1,0,0,1,0|2,0,0]=4 4265 B12R0.54 CCOC(=O)[C@H](C)OCCC(C)C 7a_100000751109_100000210626 [0,1,0,0,1,0|2,0,0]=4 4266 B12R0.54 CCOC(=O)[C@H](C)OCCC(C)O 7a_100000751109_100012276601 [0,1,0,0,1,0|2,0,0]=4 4267 B12R0.141 CCCCCC(C)C(=O)CC(C)C 1458a_100000210554_200011218191 [0,1,0,0,1,0|2,0,0]=4 4268 B12R0.141 CCCCCC(C)C(=O)CC(C)C 1458a_100011215998_100000210624 [0,1,0,0,1,0|2,0,0]=4 4269 B12R0.141 CCCCCC(C)C(=O)CC(C)O 1458a_100011215998_100011218427 [0,1,0,0,1,0|2,0,0]=4 4270 B12R0.141 CCCCCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_200011218191 [0,1,0,0,1,0|2,0,0]=4 4271 B12R0.141 CCCCCC(C)C(=O)NC(C)C 11a_100138425928_100011215998 [0,1,0,0,1,0|2,0,0]=4 4272 B12R0.141 CCCCCC(C)C(=O)NC(C)C 1626a_100138425928_100011215998 [0,1,0,0,1,0|2,0,0]=4 4273 B12R0.141 CCCCCC(C)C(=O)NC(C)C 240690a_100138425928_100011215998 [0,1,0,0,1,0|2,0,0]=4 4274 B12R0.141 CCCCCC(C)C(=O)NC(C)C 527a_100138425928_100011215998 [0,1,0,0,1,0|2,0,0]=4 4275 B12R0.141 CCCCO[C@H](C)C(=O)OC(C)C 34a_100015307928_100000210210 [0,1,0,0,1,0|2,0,0]=4 4276 B12R0.141 CCCCO[C@H](C)C(=O)OC(C)C 7a_100015307928_100000210211 [0,1,0,0,1,0|2,0,0]=4 4277 B12R0.141 CCCOC[C@H](N)C(=O)OC(C)C 34a_100121572844_100000210303 [0,1,0,0,1,0|2,0,0]=4 4278 B12R0.193 CCOC(=O)C(C)NCC(C)CC 2230a_100020588543_100011215307 [0,1,0,0,1,0|2,0,0]=4 4279 B12R0.193 CCOC(=O)C(C)NCC(O)CC 2230a_100011218483_100011215307 [0,1,0,0,1,0|2,0,0]=4 4280 B12R0.193 CCOC(=O)C(C)OC[C@@H](C)CC 7a_100009816381_100011216346 [0,1,0,0,1,0|2,0,0]=4 4281 B12R0.193 CCOC(=O)C(C)SCC(C)CC 62a_100000748023_100011216346 [0,1,0,0,1,0|2,0,0]=4 4282 B12R0.193 CCOC(=O)C(C)SCC(C)CC 62a_100011216346_100000748023 [0,1,0,0,1,0|2,0,0]=4 4283 B12R0.193 CCOC(=O)C(C)SCC(O)CC 62a_100011216346_100011218378 [0,1,0,0,1,0|2,0,0]=4 4284 B12R0.193 CCOC(=O)C(C)SCC(O)CC 62a_100011218378_100011216346 [0,1,0,0,1,0|2,0,0]=4 4285 B12R0.193 CCOC(=O)C(C)SC[C@@H](C)CC 62a_100009816398_100011216346 [0,1,0,0,1,0|2,0,0]=4 4286 B12R0.193 CCOC(=O)C(C)SC[C@@H](C)CC 62a_100011216346_100009816398 [0,1,0,0,1,0|2,0,0]=4 4287 B12R0.193 CCOC(=O)C(F)NCC(C)CC 2230a_100020588543_100000760018 [0,1,0,0,1,0|2,0,0]=4 4288 B12R0.193 CCOC(=O)C(F)NCC(O)CC 2230a_100011218483_100000760018 [0,1,0,0,1,0|2,0,0]=4 4289 B12R0.193 CCOC(=O)C(F)OC[C@@H](C)CC 7a_100009816381_100000040065 [0,1,0,0,1,0|2,0,0]=4 4290 B12R0.193 CCOC(=O)C(F)SCC(C)CC 62a_100000748023_100000760018 [0,1,0,0,1,0|2,0,0]=4 4291 B12R0.193 CCOC(=O)C(F)SCC(C)CC 62a_100000760018_100000748023 [0,1,0,0,1,0|2,0,0]=4 4292 B12R0.193 CCOC(=O)C(F)SCC(O)CC 62a_100000760018_100011218378 [0,1,0,0,1,0|2,0,0]=4 4293 B12R0.193 CCOC(=O)C(F)SCC(O)CC 62a_100011218378_100000760018 [0,1,0,0,1,0|2,0,0]=4 4294 B12R0.193 CCOC(=O)C(F)SC[C@@H](C)CC 62a_100000760018_100009816398 [0,1,0,0,1,0|2,0,0]=4 4295 B12R0.193 CCOC(=O)C(F)SC[C@@H](C)CC 62a_100009816398_100000760018 [0,1,0,0,1,0|2,0,0]=4 4296 B12R0.193 CCOC(=O)[C@H](C)OCC(C)CC 7a_100000751109_100000748023 [0,1,0,0,1,0|2,0,0]=4 4297 B12R0.193 CCOC(=O)[C@H](C)OCC(O)CC 7a_100000751109_100011218378 [0,1,0,0,1,0|2,0,0]=4 4298 B12R0.193 CCOC(=O)[C@H](C)OC[C@@H](C)CC 7a_100000751109_100009816398 [0,1,0,0,1,0|2,0,0]=4 4299 B12R0.363 CC/C=C(\C)/C(CCCCC)OC 34a_200016997515_200000210301 [0,1,0,0,1,0|2,0,0]=4 4300 B12R0.363 CC/C=C(\C)/C(CCCCC)OC 7a_200016997515_200000210301 [0,1,0,0,1,0|2,0,0]=4 4301 B12R0.363 CC/C=C(\C)/C(CCCCC)O[13CH3] 34a_200016997515_200025704644 [0,1,0,0,1,0|2,0,0]=4 4302 B12R0.363 CC/C=C(\C)/C(CCCCC)O[13CH3] 7a_200016997515_200025704644 [0,1,0,0,1,0|2,0,0]=4 4303 B12R0.363 CCCCCC(CC)C(=O)CCC 1458a_100000697129_100000210303 [0,1,0,0,1,0|2,0,0]=4 4304 B12R0.363 CCCCCC(CC)C(=O)NCC 11a_100015525214_100000697129 [0,1,0,0,1,0|2,0,0]=4 4305 B12R0.363 CCCCCC(CC)C(=O)NCC 240690a_100015525214_100000697129 [0,1,0,0,1,0|2,0,0]=4 4306 B12R0.363 CCCCCC(CC)C(=O)NCC 527a_100015525214_100000697129 [0,1,0,0,1,0|2,0,0]=4 4307 B12R0.363 CCCCCC(NC)C(=O)OCC 2230a_106832991635_200009813352 [0,1,0,0,1,0|1,0,0]=3 4308 B12R0.363 CCCCCC(NC)C(=O)OCC 34a_100102657272_200009813352 [0,1,0,0,1,0|1,0,0]=3 4309 B12R0.363 CCCCCC(NC)C(=O)OCC 7a_106832991635_200009813352 [0,1,0,0,1,0|1,0,0]=3 4310 B12R0.363 CCCCCC(OC)C(=O)OCC 34a_100138415774_200009813352 [0,1,0,0,1,0|0,0,0]=2 4311 B12R0.363 CCCCCC(SC)C(=O)OCC 62a_200000210301_200009813352 [0,1,0,0,1,0|0,1,0]=3 4312 B12R0.363 CCCCCC(SC)C(=O)OCC 62a_200009813352_200000210301 [0,1,0,0,1,0|0,1,0]=3 4313 B12R0.363 CCCCCC(S[13CH3])C(=O)OCC 62a_200009813352_200025704644 [0,1,0,0,1,0|0,1,0]=3 4314 B12R0.363 CCCCCC(S[13CH3])C(=O)OCC 62a_200025704644_200009813352 [0,1,0,0,1,0|0,1,0]=3 4315 B12R0.363 CCCCNC(CC)C(=O)OCC 2230a_100000102301_100000212269 [0,1,0,0,1,0|2,0,0]=4 4316 B12R0.363 CCCCNC(CC)C(=O)OCC 7a_106832991798_100000212269 [0,1,0,0,1,0|2,0,0]=4 4317 B12R0.363 CCCCOC(CC)C(=O)OCC 34a_100000210227_100000212269 [0,1,0,0,1,0|2,0,0]=4 4318 B12R0.363 CCCCOC(CC)C(=O)OCC 34a_100011216719_100000210210 [0,1,0,0,1,0|2,0,0]=4 4319 B12R0.363 CCCCOC(CC)C(=O)OCC 7a_100000210227_100000212269 [0,1,0,0,1,0|2,0,0]=4 4320 B12R0.363 CCCCOC(CC)C(=O)OCC 7a_100011216719_100000210211 [0,1,0,0,1,0|2,0,0]=4 4321 B12R0.363 CCCCOC(SC)C(=O)OCC 34a_100000210227_100009893047 [0,1,0,0,1,0|1,1,0]=4 4322 B12R0.363 CCCCSC(C=O)C(=O)OCC 62a_100000053139_100000210210 [0,1,0,0,1,0|1,0,1]=4 4323 B12R0.363 CCCCSC(C=O)C(=O)OCC 62a_100000210211_100000053139 [0,1,0,0,1,0|1,0,1]=4 4324 B12R0.363 CCCCSC(CC)C(=O)OCC 62a_100000210211_100000212269 [0,1,0,0,1,0|2,0,0]=4 4325 B12R0.363 CCCCSC(CC)C(=O)OCC 62a_100000212269_100000210210 [0,1,0,0,1,0|2,0,0]=4 4326 B12R0.363 CCCCSC(SC)C(=O)OCC 62a_100000210211_100009893047 [0,1,0,0,1,0|1,1,0]=4 4327 B12R0.363 CCCCSC(SC)C(=O)OCC 62a_100009893047_100000210210 [0,1,0,0,1,0|1,1,0]=4 4328 B12R0.658 CCCCNC(C)(C)C(=O)OCC 2230a_100000102301_100011216345 [0,1,0,0,1,0|2,0,0]=4 4329 B12R0.658 CCCCNC(C)(C)C(=O)OCC 7a_106832991798_100011216345 [0,1,0,0,1,0|2,0,0]=4 4330 B12R0.658 CCCCNC(F)(F)C(=O)OCC 7a_106832991798_100000210910 [0,1,0,0,1,0|2,0,0]=4 4331 B12R0.658 CCCCOC(C)(C)C(=O)OCC 34a_100000686869_100000210210 [0,1,0,0,1,0|2,0,0]=4 4332 B12R0.658 CCCCOC(C)(C)C(=O)OCC 7a_100000210227_100011216345 [0,1,0,0,1,0|2,0,0]=4 4333 B12R0.658 CCCCOC(C)(C)C(=O)OCC 7a_100000686869_100000210211 [0,1,0,0,1,0|2,0,0]=4 4334 B12R0.658 CCCCOC(F)(F)C(=O)OCC 34a_100000210227_100000210910 [0,1,0,0,1,0|2,0,0]=4 4335 B12R0.658 CCCCOC(F)(F)C(=O)OCC 7a_100000210227_100000210910 [0,1,0,0,1,0|2,0,0]=4 4336 B12R0.658 CCCCSC(C)(C)C(=O)OCC 62a_100000210211_100011216345 [0,1,0,0,1,0|2,0,0]=4 4337 B12R0.658 CCCCSC(C)(C)C(=O)OCC 62a_100011216345_100000210210 [0,1,0,0,1,0|2,0,0]=4 4338 B12R0.658 CCCCSC(F)(F)C(=O)OCC 62a_100000210211_100000210910 [0,1,0,0,1,0|2,0,0]=4 4339 B12R0.658 CCCCSC(F)(F)C(=O)OCC 62a_100000210910_100000210210 [0,1,0,0,1,0|2,0,0]=4 4340 B12R0.658 CCCOCC(C)(C)C(=O)OCC 7a_100011765865_100000210303 [0,1,0,0,1,0|2,0,0]=4 4341 B12R0.658 CCCOCC(F)(F)C(=O)OCC 34a_100000210258_100009817193 [0,1,0,0,1,0|2,0,0]=4 4342 B12R0.658 CCCSCC(C)(C)C(=O)OCC 62a_100000210303_100011219049 [0,1,0,0,1,0|2,0,0]=4 4343 B12R0.658 CCCSCC(C)(C)C(=O)OCC 62a_100011219049_100000210303 [0,1,0,0,1,0|2,0,0]=4 4344 B12R0.658 CCCSCC(F)(F)C(=O)OCC 62a_100000210303_100009817193 [0,1,0,0,1,0|2,0,0]=4 4345 B12R0.658 CCCSCC(F)(F)C(=O)OCC 62a_100009817193_100000210303 [0,1,0,0,1,0|2,0,0]=4 4346 B14R0.33 CCCC(C)CC(=O)CCC(=O)OCC 1458a_100000183558_100011216630 [0,1,0,0,0,1|0,0,2]=4 4347 B14R0.33 CCCC(C)CC(=O)CNC(=O)OCC 1458a_100000190774_100011216630 [0,1,0,0,0,1|0,0,2]=4 4348 B14R0.33 CCCC(C)CC(=O)NCC(=O)OCC 188690a_100000741813_100000748435 [0,1,0,0,0,1|0,0,2]=4 4349 B14R0.33 CCCC(C)CN(C)CCC(=O)OCC 2230a_100000745921_100011216630 [0,1,0,0,0,1|2,0,0]=4 4350 B14R0.33 CCCC(C)CN(C)CCC(=O)OCC 269982a_100000745921_100011216630 [0,1,0,0,0,1|2,0,0]=4 4351 B14R0.33 CCCC(C)NC(C)CCC(=O)OCC 2230a_100000741246_100000748298 [0,1,0,0,0,1|2,0,0]=4 4352 B14R0.33 CCCC(C)OC(C)CCC(=O)OCC 34a_100000764384_100000748298 [0,1,0,0,0,1|2,0,0]=4 4353 B14R0.33 CCCC(C)OC(C)CCC(=O)OCC 7a_100000764384_100000748298 [0,1,0,0,0,1|2,0,0]=4 4354 B14R0.33 CCCC(C)SC(C)CCC(=O)OCC 62a_100000748298_100000766640 [0,1,0,0,0,1|2,0,0]=4 4355 B14R0.33 CCCC(C)SC(C)CCC(=O)OCC 62a_100000766640_100000748298 [0,1,0,0,0,1|2,0,0]=4 4356 B14R0.199 CCCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210757 [0,1,0,0,0,1|0,0,2]=4 4357 B14R0.199 CCCCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210757 [0,1,0,0,0,1|0,0,2]=4 4358 B14R0.199 CCCCCCC(=O)NCC(=O)OCC 188690a_100000741813_100102632555 [0,1,0,0,0,1|0,0,2]=4 4359 B14R0.199 CCCCCCC(C)NCC(=O)CCC 2230a_100000210919_100000747444 [0,1,0,0,0,1|2,0,0]=4 4360 B14R0.199 CCCCCCC(C)NCC(=O)NCC 2230a_100000210919_100000183381 [0,1,0,0,0,1|2,0,0]=4 4361 B14R0.199 CCCCCCC(C)NCC(=O)NCC 2230a_100016988866_100011215978 [0,1,0,0,0,1|2,0,0]=4 4362 B14R0.199 CCCCCCC(C)NCC(=O)NCC 270004a_100016988866_100000210826 [0,1,0,0,0,1|2,0,0]=4 4363 B14R0.199 CCCCCCC(C)NCC(=O)NCC 34a_100000210919_100000183381 [0,1,0,0,0,1|2,0,0]=4 4364 B14R0.199 CCCCCCC(C)NCC(=O)OCC 2230a_100000210919_100000188475 [0,1,0,0,0,1|1,0,0]=3 4365 B14R0.199 CCCCCCC(C)NCC(=O)OCC 34a_100000210919_100000188475 [0,1,0,0,0,1|1,0,0]=3 4366 B14R0.199 CCCCCCC(C)OCC(=O)CCC 7a_100000210265_100000747444 [0,1,0,0,0,1|2,0,0]=4 4367 B14R0.199 CCCCCCC(C)OCC(=O)NCC 34a_100000210265_100000183381 [0,1,0,0,0,1|2,0,0]=4 4368 B14R0.199 CCCCCCC(C)OCC(=O)NCC 7a_100000210265_100000183381 [0,1,0,0,0,1|2,0,0]=4 4369 B14R0.199 CCCCCCC(C)OCC(=O)OCC 34a_100000210265_100000188475 [0,1,0,0,0,1|1,0,0]=3 4370 B14R0.199 CCCCCCC(C)OCC(=O)OCC 7a_100000210265_100000188475 [0,1,0,0,0,1|1,0,0]=3 4371 B14R0.199 CCCCCCC(C)SCC(=O)CCC 62a_100000747444_100011215978 [0,1,0,0,0,1|2,0,0]=4 4372 B14R0.199 CCCCCCC(C)SCC(=O)CCC 62a_100011215978_100000747444 [0,1,0,0,0,1|2,0,0]=4 4373 B14R0.199 CCCCCCC(C)SCC(=O)NCC 62a_100000183381_100011215978 [0,1,0,0,0,1|2,0,0]=4 4374 B14R0.199 CCCCCCC(C)SCC(=O)NCC 62a_100011215978_100000183381 [0,1,0,0,0,1|2,0,0]=4 4375 B14R0.199 CCCCCCC(C)SCC(=O)OCC 62a_100000188475_100011215978 [0,1,0,0,0,1|1,0,0]=3 4376 B14R0.199 CCCCCCC(C)SCC(=O)OCC 62a_100011215978_100000188475 [0,1,0,0,0,1|1,0,0]=3 4377 B14R0.199 CCCCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210314 [0,1,0,0,0,1|2,0,0]=4 4378 B14R0.199 CCCCCCN(C)CCC(=O)OCC 2230a_106256046315_100011206558 [0,1,0,0,0,1|2,0,0]=4 4379 B14R0.199 CCCCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210757 [0,1,0,0,0,1|2,0,0]=4 4380 B14R0.199 CCCCCCN(C)CCC(=O)OCC 269982a_106256046315_100011206558 [0,1,0,0,0,1|2,0,0]=4 4381 B14R0.199 CCCCCNC(=O)CCC(=O)OCC 11a_100000209983_100000183558 [0,1,0,0,0,1|0,0,2]=4 4382 B14R0.199 CCCCCNC(=O)CCC(=O)OCC 1626a_100000209983_100000183558 [0,1,0,0,0,1|0,0,2]=4 4383 B14R0.199 CCCCCNC(=O)CCC(=O)OCC 240690a_100000209983_100000183558 [0,1,0,0,0,1|0,0,2]=4 4384 B14R0.199 CCCCCNC(=O)CNC(=O)OCC 11a_100000209983_100000190774 [0,1,0,0,0,1|0,0,2]=4 4385 B14R0.199 CCCCCNC(=O)CNC(=O)OCC 1626a_100000209983_100000190774 [0,1,0,0,0,1|0,0,2]=4 4386 B14R0.199 CCCCCNC(=O)CNC(=O)OCC 240690a_100000209983_100000190774 [0,1,0,0,0,1|0,0,2]=4 4387 B14R0.199 CCCCCNC(=O)CNC(=O)OCC 527a_100000209983_100000190774 [0,1,0,0,0,1|0,0,2]=4 4388 B14R0.199 CCCCCNC(C)CCC(=O)OCC 2230a_100000209983_100000748298 [0,1,0,0,0,1|1,0,0]=3 4389 B14R0.199 CCCCCOC(C)CCC(=O)OCC 34a_100000210253_100000748298 [0,1,0,0,0,1|1,0,0]=3 4390 B14R0.199 CCCCCOC(C)CCC(=O)OCC 7a_100000210253_100000748298 [0,1,0,0,0,1|1,0,0]=3 4391 B14R0.199 CCCCCSC(C)CCC(=O)OCC 62a_100000210326_100000748298 [0,1,0,0,0,1|1,0,0]=3 4392 B14R0.199 CCCCCSC(C)CCC(=O)OCC 62a_100000748298_100000210326 [0,1,0,0,0,1|1,0,0]=3 4393 B14R0.199 CCCCNCC(=O)NCC(=O)OCC 2230a_100000102301_100011215850 [0,1,0,0,0,1|0,0,2]=4 4394 B14R0.199 CCCCNCC(=O)NCC(=O)OCC 7a_106832991798_100011215850 [0,1,0,0,0,1|0,0,2]=4 4395 B14R0.199 CCCCOCC(=O)CCC(=O)OCC 1458a_100000183558_100011995733 [0,1,0,0,0,1|0,0,2]=4 4396 B14R0.199 CCCCOCC(=O)CNC(=O)OCC 1458a_100000190774_100011995733 [0,1,0,0,0,1|0,0,2]=4 4397 B14R0.199 CCCCOCC(=O)NCC(=O)OCC 188690a_100000741813_100000757543 [0,1,0,0,0,1|0,0,2]=4 4398 B14R0.199 CCCCOCC(=O)NCC(=O)OCC 34a_100000210227_100011215850 [0,1,0,0,0,1|0,0,2]=4 4399 B14R0.199 CCCCOCC(=O)NCC(=O)OCC 7a_100000210227_100011215850 [0,1,0,0,0,1|0,0,2]=4 4400 B14R0.199 CCCCOCC(C)OCC(=O)CCC 7a_100011217071_100000747444 [0,1,0,0,0,1|2,0,0]=4 4401 B14R0.199 CCCCOCC(C)OCC(=O)NCC 34a_100011217071_100000183381 [0,1,0,0,0,1|2,0,0]=4 4402 B14R0.199 CCCCOCC(C)OCC(=O)NCC 7a_100011217071_100000183381 [0,1,0,0,0,1|2,0,0]=4 4403 B14R0.199 CCCCOCC(C)OCC(=O)OCC 34a_100011217071_100000188475 [0,1,0,0,0,1|1,0,0]=3 4404 B14R0.199 CCCCOCC(C)OCC(=O)OCC 7a_100011217071_100000188475 [0,1,0,0,0,1|1,0,0]=3 4405 B14R0.199 CCCCOCN(C)CCC(=O)OCC 2230a_100000745921_100011995733 [0,1,0,0,0,1|2,0,0]=4 4406 B14R0.199 CCCCOCN(C)CCC(=O)OCC 269982a_100000745921_100011995733 [0,1,0,0,0,1|2,0,0]=4 4407 B14R0.199 CCCCSCC(=O)NCC(=O)OCC 188690a_100000741813_100000191162 [0,1,0,0,0,1|0,0,2]=4 4408 B14R0.199 CCCCSCC(=O)NCC(=O)OCC 62a_100000210211_100011215850 [0,1,0,0,0,1|0,0,2]=4 4409 B14R0.199 CCCCSCC(=O)NCC(=O)OCC 62a_100011215850_100000210210 [0,1,0,0,0,1|0,0,2]=4 4410 B14R0.199 CCCOCCC(=O)CCC(=O)OCC 1458a_100000183558_100011215938 [0,1,0,0,0,1|0,0,2]=4 4411 B14R0.199 CCCOCCC(=O)CNC(=O)OCC 1458a_100000190774_100011215938 [0,1,0,0,0,1|0,0,2]=4 4412 B14R0.199 CCCOCCN(C)CCC(=O)OCC 2230a_100000745921_100011215938 [0,1,0,0,0,1|2,0,0]=4 4413 B14R0.199 CCCOCCN(C)CCC(=O)OCC 269982a_100000745921_100011215938 [0,1,0,0,0,1|2,0,0]=4 4414 B14R0.199 CCOC(=O)CCC(=O)CCCCCF 1458a_100000183558_100000729378 [0,1,0,0,0,1|0,0,2]=4 4415 B14R0.199 CCOC(=O)CCC(=O)CCCCCO 1458a_100000183558_100000746330 [0,1,0,0,0,1|0,0,2]=4 4416 B14R0.199 CCOC(=O)CCC(=O)CCCCOC 1458a_100000183558_100000755781 [0,1,0,0,0,1|0,0,2]=4 4417 B14R0.199 CCOC(=O)CCC(C)NCCCCO 2230a_100000750430_100000748298 [0,1,0,0,0,1|2,0,0]=4 4418 B14R0.199 CCOC(=O)CCC(C)NCCCCO 34a_100000750430_100000748298 [0,1,0,0,0,1|2,0,0]=4 4419 B14R0.199 CCOC(=O)CCC(C)NCCCOC 34a_100150723488_100000748298 [0,1,0,0,0,1|2,0,0]=4 4420 B14R0.199 CCOC(=O)CCC(C)NCCCSC 2230a_100000749238_100000748298 [0,1,0,0,0,1|2,0,0]=4 4421 B14R0.199 CCOC(=O)CCC(C)NCCSCC 2230a_100000106463_100000748298 [0,1,0,0,0,1|2,0,0]=4 4422 B14R0.199 CCOC(=O)CCC(C)OCCCCBr 34a_100011216708_100000748298 [0,1,0,0,0,1|2,0,0]=4 4423 B14R0.199 CCOC(=O)CCC(C)OCCCCCl 34a_100000210776_100000748298 [0,1,0,0,0,1|2,0,0]=4 4424 B14R0.199 CCOC(=O)CCC(C)OCCCCCl 7a_100000210776_100000748298 [0,1,0,0,0,1|2,0,0]=4 4425 B14R0.199 CCOC(=O)CCC(C)OCCCCF 34a_100011995726_100000748298 [0,1,0,0,0,1|2,0,0]=4 4426 B14R0.199 CCOC(=O)CCC(C)OCCCCF 7a_100011995726_100000748298 [0,1,0,0,0,1|2,0,0]=4 4427 B14R0.199 CCOC(=O)CCC(C)OCCCCI 34a_200012148704_100000748298 [0,1,0,0,0,1|2,0,0]=4 4428 B14R0.199 CCOC(=O)CCC(C)OCCCCN 34a_100000750430_100000748298 [0,1,0,0,0,1|2,0,0]=4 4429 B14R0.199 CCOC(=O)CCC(C)OCCCNC 34a_100000213112_100000748298 [0,1,0,0,0,1|2,0,0]=4 4430 B14R0.199 CCOC(=O)CCC(C)OCCCOC 34a_100000740835_100000748298 [0,1,0,0,0,1|2,0,0]=4 4431 B14R0.199 CCOC(=O)CCC(C)OCCCSC 34a_100000690336_100000748298 [0,1,0,0,0,1|2,0,0]=4 4432 B14R0.199 CCOC(=O)CCC(C)OCCCSC 7a_100000690336_100000748298 [0,1,0,0,0,1|2,0,0]=4 4433 B14R0.199 CCOC(=O)CCC(C)OCCSCC 34a_100000212035_100000748298 [0,1,0,0,0,1|2,0,0]=4 4434 B14R0.199 CCOC(=O)CCC(C)OCCSCC 7a_100000212035_100000748298 [0,1,0,0,0,1|2,0,0]=4 4435 B14R0.199 CCOC(=O)CCC(C)SCCCCF 62a_100000729493_100000748298 [0,1,0,0,0,1|2,0,0]=4 4436 B14R0.199 CCOC(=O)CCC(C)SCCCCF 62a_100000748298_100000729493 [0,1,0,0,0,1|2,0,0]=4 4437 B14R0.199 CCOC(=O)CCC(C)SCCCCO 62a_100000210776_100000748298 [0,1,0,0,0,1|2,0,0]=4 4438 B14R0.199 CCOC(=O)CCC(C)SCCCCO 62a_100000748298_100000210776 [0,1,0,0,0,1|2,0,0]=4 4439 B14R0.199 CCOC(=O)CCC(C)SCCCOC 62a_100000709357_100000748298 [0,1,0,0,0,1|2,0,0]=4 4440 B14R0.199 CCOC(=O)CCC(C)SCCCOC 62a_100000748298_100000709357 [0,1,0,0,0,1|2,0,0]=4 4441 B14R0.199 CCOC(=O)CCC(C)SCCSCC 62a_100000748298_100000757381 [0,1,0,0,0,1|2,0,0]=4 4442 B14R0.199 CCOC(=O)CCC(C)SCCSCC 62a_100000757381_100000748298 [0,1,0,0,0,1|2,0,0]=4 4443 B14R0.199 CCOC(=O)CCN(C)CCCCCF 2230a_100000745921_100000729378 [0,1,0,0,0,1|2,0,0]=4 4444 B14R0.199 CCOC(=O)CCN(C)CCCCCF 269982a_100000745921_100000729378 [0,1,0,0,0,1|2,0,0]=4 4445 B14R0.199 CCOC(=O)CCN(C)CCCCCO 2230a_100000722520_100011206558 [0,1,0,0,0,1|2,0,0]=4 4446 B14R0.199 CCOC(=O)CCN(C)CCCCCO 2230a_100000745921_100000746330 [0,1,0,0,0,1|2,0,0]=4 4447 B14R0.199 CCOC(=O)CCN(C)CCCCCO 269982a_100000722520_100011206558 [0,1,0,0,0,1|2,0,0]=4 4448 B14R0.199 CCOC(=O)CCN(C)CCCCCO 269982a_100000745921_100000746330 [0,1,0,0,0,1|2,0,0]=4 4449 B14R0.199 CCOC(=O)CCN(C)CCCCOC 2230a_100000745921_100000730899 [0,1,0,0,0,1|2,0,0]=4 4450 B14R0.199 CCOC(=O)CCN(C)CCCCOC 269982a_100000745921_100000730899 [0,1,0,0,0,1|2,0,0]=4 4451 B14R0.199 CCOC(=O)CNC(=O)CCCCCO 188690a_100000741813_100102619762 [0,1,0,0,0,1|0,0,2]=4 4452 B14R0.199 CCOC(=O)NCC(=O)CCCCCF 1458a_100000190774_100000729378 [0,1,0,0,0,1|0,0,2]=4 4453 B14R0.199 CCOC(=O)NCC(=O)CCCCCO 1458a_100000190774_100000746330 [0,1,0,0,0,1|0,0,2]=4 4454 B14R0.199 CCOC(=O)NCC(=O)CCCCOC 1458a_100000190774_100000755781 [0,1,0,0,0,1|0,0,2]=4 4455 B14R0.199 CCOCCCC(=O)CCC(=O)OCC 1458a_100000183558_100012232248 [0,1,0,0,0,1|0,0,2]=4 4456 B14R0.199 CCOCCCC(=O)CNC(=O)OCC 1458a_100000190774_100012232248 [0,1,0,0,0,1|0,0,2]=4 4457 B14R0.199 CCOCCCN(C)CCC(=O)OCC 2230a_100000745921_100012232248 [0,1,0,0,0,1|2,0,0]=4 4458 B14R0.199 CCOCCCN(C)CCC(=O)OCC 269982a_100000745921_100012232248 [0,1,0,0,0,1|2,0,0]=4 4459 B14R0.199 CCOCCNC(C)CCC(=O)OCC 2230a_102516460346_100000748298 [0,1,0,0,0,1|2,0,0]=4 4460 B14R0.199 CCOCCNC(C)CCC(=O)OCC 34a_102516460346_100000748298 [0,1,0,0,0,1|2,0,0]=4 4461 B14R0.199 CCOCCOC(C)CCC(=O)OCC 34a_100000210136_100000748298 [0,1,0,0,0,1|2,0,0]=4 4462 B14R0.199 CCOCCOC(C)CCC(=O)OCC 7a_100000210136_100000748298 [0,1,0,0,0,1|2,0,0]=4 4463 B14R0.199 CCOCCSC(C)CCC(=O)OCC 62a_100000210147_100000748298 [0,1,0,0,0,1|2,0,0]=4 4464 B14R0.199 CCOCCSC(C)CCC(=O)OCC 62a_100000748298_100011215890 [0,1,0,0,0,1|2,0,0]=4 4465 B14R0.227 CCCCCC(=O)CCC(=O)OC(C)C 1458a_100000212188_100000760027 [0,1,0,0,0,1|0,0,2]=4 4466 B14R0.227 CCCCCC(=O)COC(=O)OC(C)C 1458a_100000212188_100000003507 [0,1,0,0,0,1|0,0,2]=4 4467 B14R0.227 CCCCCC(C)CCC(=O)CC(C)C 1458a_100000034243_100000210624 [0,1,0,0,0,1|2,0,0]=4 4468 B14R0.227 CCCCCC(C)CCC(=O)CC(C)O 1458a_100000034243_100011218427 [0,1,0,0,0,1|2,0,0]=4 4469 B14R0.227 CCCCCC(C)CCC(=O)NC(C)C 11a_100138425928_100000034243 [0,1,0,0,0,1|2,0,0]=4 4470 B14R0.227 CCCCCC(C)CCC(=O)NC(C)C 1626a_100138425928_100000034243 [0,1,0,0,0,1|2,0,0]=4 4471 B14R0.227 CCCCCC(C)CCC(=O)NC(C)C 240690a_100138425928_100000034243 [0,1,0,0,0,1|2,0,0]=4 4472 B14R0.227 CCCCCC(C)CCC(=O)NC(C)C 527a_100138425928_100000034243 [0,1,0,0,0,1|2,0,0]=4 4473 B14R0.227 CCCCCC(C)NCC(=O)NC(C)C 2230a_100000168517_200011218191 [0,1,0,0,0,1|2,0,0]=4 4474 B14R0.227 CCCCCC(C)NCC(=O)NC(C)C 2230a_100000211957_100000183996 [0,1,0,0,0,1|2,0,0]=4 4475 B14R0.227 CCCCCC(C)NCC(=O)NC(C)C 270004a_100000168517_100000211708 [0,1,0,0,0,1|2,0,0]=4 4476 B14R0.227 CCCCCC(C)NCC(=O)OC(C)C 2230a_100000211957_100011215430 [0,1,0,0,0,1|1,0,0]=3 4477 B14R0.227 CCCCCC(C)OCC(=O)NC(C)C 34a_100011215632_100000183996 [0,1,0,0,0,1|2,0,0]=4 4478 B14R0.227 CCCCCC(C)OCC(=O)NC(C)C 7a_100011215632_100000183996 [0,1,0,0,0,1|2,0,0]=4 4479 B14R0.227 CCCCCC(C)OCC(=O)OC(C)C 34a_100011215632_100011215430 [0,1,0,0,0,1|1,0,0]=3 4480 B14R0.227 CCCCCC(C)OCC(=O)OC(C)C 7a_100011215632_100011215430 [0,1,0,0,0,1|1,0,0]=3 4481 B14R0.227 CCCCCC(C)SCC(=O)NC(C)C 62a_100000183996_200011218191 [0,1,0,0,0,1|2,0,0]=4 4482 B14R0.227 CCCCCC(C)SCC(=O)NC(C)C 62a_200011218191_100000183996 [0,1,0,0,0,1|2,0,0]=4 4483 B14R0.227 CCCCCC(C)SCC(=O)OC(C)C 62a_100011215430_200011218191 [0,1,0,0,0,1|1,0,0]=3 4484 B14R0.227 CCCCCC(C)SCC(=O)OC(C)C 62a_200011218191_100011215430 [0,1,0,0,0,1|1,0,0]=3 4485 B14R0.227 CCCCCN(C)CCC(=O)OC(C)C 2230a_100000223495_100000760027 [0,1,0,0,0,1|2,0,0]=4 4486 B14R0.227 CCCCCN(C)CCC(=O)OC(C)C 269982a_100000223495_100000760027 [0,1,0,0,0,1|2,0,0]=4 4487 B14R0.227 CCCCCN(C)COC(=O)OC(C)C 269982a_100000223495_100010125566 [0,1,0,0,0,1|2,0,0]=4 4488 B14R0.227 COCCCC(C)OCC(=O)OC(C)C 34a_200011539412_100011215430 [0,1,0,0,0,1|2,0,0]=4 4489 B14R0.227 COCCCC(C)OCC(=O)OC(C)C 7a_200011539412_100011215430 [0,1,0,0,0,1|2,0,0]=4 4490 B14R0.232 C=C(CN(C)CCCCC)C(=O)OCC 269982a_100000223495_100000755967 [0,1,0,0,0,1|2,0,0]=4 4491 B14R0.232 CCCCCC(=O)N[C@H](C)C(=O)OCC 188690a_100016988386_100000212188 [0,1,0,0,0,1|0,0,2]=4 4492 B14R0.232 CCCCCC(C)NC(=O)C(=O)OCC 11a_100000211957_100014798877 [0,1,0,0,0,1|1,0,1]=4 4493 B14R0.232 CCCCCC(C)NC(=O)C(=O)OCC 1626a_100000211957_100014798877 [0,1,0,0,0,1|1,0,1]=4 4494 B14R0.232 CCCCCC(C)NC(=O)C(=O)OCC 240690a_100000211957_100014798877 [0,1,0,0,0,1|1,0,1]=4 4495 B14R0.232 CCCCCC(C)NC(C)C(=O)NCC 2230a_100000211957_100000230173 [0,1,0,0,0,1|2,0,0]=4 4496 B14R0.232 CCCCCC(C)NC(C)C(=O)NCC 2230a_100000736553_200011218191 [0,1,0,0,0,1|2,0,0]=4 4497 B14R0.232 CCCCCC(C)NC(C)C(=O)NCC 270004a_100000736553_100000211708 [0,1,0,0,0,1|2,0,0]=4 4498 B14R0.232 CCCCCC(C)NC(C)C(=O)NCC 34a_100000736553_200011218191 [0,1,0,0,0,1|2,0,0]=4 4499 B14R0.232 CCCCCC(C)NC(C)C(=O)OCC 2230a_100000211957_100011215307 [0,1,0,0,0,1|1,0,0]=3 4500 B14R0.232 CCCCCC(C)NC(F)C(=O)OCC 2230a_100000211957_100000760018 [0,1,0,0,0,1|1,0,0]=3 4501 B14R0.232 CCCCCC(C)N[C@@H](C)C(=O)SCC 2230a_100103168634_200011218191 [0,1,0,0,0,1|1,1,0]=4 4502 B14R0.232 CCCCCC(C)OC(C)C(=O)NCC 34a_100011215632_100000230173 [0,1,0,0,0,1|2,0,0]=4 4503 B14R0.232 CCCCCC(C)OC(C)C(=O)NCC 7a_100011215632_100000230173 [0,1,0,0,0,1|2,0,0]=4 4504 B14R0.232 CCCCCC(C)OC(C)C(=O)OCC 34a_100011215632_100011216346 [0,1,0,0,0,1|1,0,0]=3 4505 B14R0.232 CCCCCC(C)OC(C)C(=O)OCC 7a_100011215632_100011216346 [0,1,0,0,0,1|1,0,0]=3 4506 B14R0.232 CCCCCC(C)OC(F)C(=O)OCC 34a_100011215632_100000760018 [0,1,0,0,0,1|1,0,0]=3 4507 B14R0.232 CCCCCC(C)OC(F)C(=O)OCC 7a_100011215632_100000040065 [0,1,0,0,0,1|1,0,0]=3 4508 B14R0.232 CCCCCC(C)O[C@@H](C)C(=O)OCC 7a_100000751109_200011218191 [0,1,0,0,0,1|1,0,0]=3 4509 B14R0.232 CCCCCC(C)SC(C)C(=O)NCC 62a_100000230173_200011218191 [0,1,0,0,0,1|2,0,0]=4 4510 B14R0.232 CCCCCC(C)SC(C)C(=O)NCC 62a_200011218191_100000230173 [0,1,0,0,0,1|2,0,0]=4 4511 B14R0.232 CCCCCC(C)SC(C)C(=O)OCC 62a_100011216346_200011218191 [0,1,0,0,0,1|1,0,0]=3 4512 B14R0.232 CCCCCC(C)SC(C)C(=O)OCC 62a_200011218191_100011216346 [0,1,0,0,0,1|1,0,0]=3 4513 B14R0.232 CCCCCC(C)SC(F)C(=O)OCC 62a_100000760018_200011218191 [0,1,0,0,0,1|1,0,0]=3 4514 B14R0.232 CCCCCC(C)SC(F)C(=O)OCC 62a_200011218191_100000760018 [0,1,0,0,0,1|1,0,0]=3 4515 B14R0.232 CCCCCN(C)CC(=O)C(=O)OCC 269982a_100000223495_100000211299 [0,1,0,0,0,1|2,0,0]=4 4516 B14R0.232 CCOC(=O)C(C)OC(C)CCCOC 34a_200011539412_100011216346 [0,1,0,0,0,1|2,0,0]=4 4517 B14R0.232 CCOC(=O)C(C)OC(C)CCCOC 7a_200011539412_100011216346 [0,1,0,0,0,1|2,0,0]=4 4518 B14R0.232 CCOC(=O)C(F)OC(C)CCCOC 34a_200011539412_100000760018 [0,1,0,0,0,1|2,0,0]=4 4519 B14R0.232 CCOC(=O)C(F)OC(C)CCCOC 7a_200011539412_100000040065 [0,1,0,0,0,1|2,0,0]=4 4520 B14R0.244 CCCCCC(C)CCC(=O)C(C)CC 1458a_100000034243_100000758301 [0,1,0,0,0,1|2,0,0]=4 4521 B14R0.244 CCCCCC(C)CCC(=O)N(C)CC 11a_100000225621_100000034243 [0,1,0,0,0,1|2,0,0]=4 4522 B14R0.244 CCCCCC(C)CCC(=O)N(C)CC 1626a_100000225621_100000034243 [0,1,0,0,0,1|2,0,0]=4 4523 B14R0.244 CCCCCC(C)CCC(=O)N(C)CC 240690a_100000225621_100000034243 [0,1,0,0,0,1|2,0,0]=4 4524 B14R0.244 CCCCCC(C)CCC(=O)N(C)CC 527a_100000225621_100000034243 [0,1,0,0,0,1|2,0,0]=4 4525 B14R0.244 CCCCCC(C)NCC(=O)N(C)CC 2230a_100000211957_100000738999 [0,1,0,0,0,1|2,0,0]=4 4526 B14R0.244 CCCCCC(C)OCC(=O)N(C)CC 34a_100011215632_100000738999 [0,1,0,0,0,1|2,0,0]=4 4527 B14R0.244 CCCCCC(C)OCC(=O)N(C)CC 7a_100011215632_100000738999 [0,1,0,0,0,1|2,0,0]=4 4528 B14R0.244 CCCCCC(C)SCC(=O)N(C)CC 62a_100000738999_200011218191 [0,1,0,0,0,1|2,0,0]=4 4529 B14R0.244 CCCCCC(C)SCC(=O)N(C)CC 62a_200011218191_100000738999 [0,1,0,0,0,1|2,0,0]=4 4530 B14R0.431 CCCC(=O)CCC(C)CCCC(C)C 1458a_100000211992_100009816328 [0,1,0,0,0,1|2,0,0]=4 4531 B14R0.431 CCCC(=O)CNC(C)CCCC(C)C 2230a_100000210607_100000747444 [0,1,0,0,0,1|2,0,0]=4 4532 B14R0.431 CCCC(=O)COC(C)CCCC(C)C 7a_200011218570_100000747444 [0,1,0,0,0,1|2,0,0]=4 4533 B14R0.431 CCNC(=O)CNC(C)CCCC(C)C 2230a_100000210607_100000183381 [0,1,0,0,0,1|2,0,0]=4 4534 B14R0.431 CCNC(=O)CNC(C)CCCC(C)C 270004a_100016988866_100000753411 [0,1,0,0,0,1|2,0,0]=4 4535 B14R0.431 CCNC(=O)COC(C)CCCC(C)C 34a_200011218570_100000183381 [0,1,0,0,0,1|2,0,0]=4 4536 B14R0.431 CCNC(=O)COC(C)CCCC(C)C 7a_200011218570_100000183381 [0,1,0,0,0,1|2,0,0]=4 4537 B14R0.431 CCOC(=O)CCC(=O)CCCC(C)C 1458a_100000183558_100011214892 [0,1,0,0,0,1|0,0,2]=4 4538 B14R0.431 CCOC(=O)CCC(=O)CCCC(C)O 1458a_100000183558_200000718107 [0,1,0,0,0,1|0,0,2]=4 4539 B14R0.431 CCOC(=O)CCC(C)NCCC(C)O 2230a_200000755665_100000748298 [0,1,0,0,0,1|2,0,0]=4 4540 B14R0.431 CCOC(=O)CCC(C)OCCC(C)Br 34a_100009893172_100000748298 [0,1,0,0,0,1|2,0,0]=4 4541 B14R0.431 CCOC(=O)CCC(C)OCCC(C)C 34a_100000210254_100000748298 [0,1,0,0,0,1|2,0,0]=4 4542 B14R0.431 CCOC(=O)CCC(C)OCCC(C)C 7a_100000210254_100000748298 [0,1,0,0,0,1|2,0,0]=4 4543 B14R0.431 CCOC(=O)CCC(C)OCC[C@@H](C)N 34a_100000706166_100000748298 [0,1,0,0,0,1|2,0,0]=4 4544 B14R0.431 CCOC(=O)CCC(C)SCCC(C)C 62a_100000210312_100000748298 [0,1,0,0,0,1|2,0,0]=4 4545 B14R0.431 CCOC(=O)CCC(C)SCCC(C)C 62a_100000748298_100000210312 [0,1,0,0,0,1|2,0,0]=4 4546 B14R0.431 CCOC(=O)CCC(C)SCCC(C)O 62a_100000748298_100012276601 [0,1,0,0,0,1|2,0,0]=4 4547 B14R0.431 CCOC(=O)CCC(C)SCCC(C)O 62a_100012276601_100000748298 [0,1,0,0,0,1|2,0,0]=4 4548 B14R0.431 CCOC(=O)CCN(C)CCCC(C)C 2230a_100000745921_100011214892 [0,1,0,0,0,1|2,0,0]=4 4549 B14R0.431 CCOC(=O)CCN(C)CCCC(C)C 269982a_100000745921_100011214892 [0,1,0,0,0,1|2,0,0]=4 4550 B14R0.431 CCOC(=O)CCN(C)CCCC(C)O 2230a_100000745921_200000718107 [0,1,0,0,0,1|2,0,0]=4 4551 B14R0.431 CCOC(=O)CCN(C)CCCC(C)O 269982a_100000745921_200000718107 [0,1,0,0,0,1|2,0,0]=4 4552 B14R0.431 CCOC(=O)CNC(=O)CCCC(C)C 188690a_100000741813_100011216857 [0,1,0,0,0,1|0,0,2]=4 4553 B14R0.431 CCOC(=O)CNC(=O)CCCC(C)O 188690a_100000741813_100000761597 [0,1,0,0,0,1|0,0,2]=4 4554 B14R0.431 CCOC(=O)CNC(C)CCCC(C)C 2230a_100000210607_100000188475 [0,1,0,0,0,1|1,0,0]=3 4555 B14R0.431 CCOC(=O)COC(C)CCCC(C)C 34a_200011218570_100000188475 [0,1,0,0,0,1|1,0,0]=3 4556 B14R0.431 CCOC(=O)COC(C)CCCC(C)C 7a_200011218570_100000188475 [0,1,0,0,0,1|1,0,0]=3 4557 B14R0.431 CCOC(=O)NCC(=O)CCCC(C)C 1458a_100000190774_100011214892 [0,1,0,0,0,1|0,0,2]=4 4558 B14R0.431 CCOC(=O)NCC(=O)CCCC(C)O 1458a_100000190774_200000718107 [0,1,0,0,0,1|0,0,2]=4 4559 B14R0.529 C=C(COC(C)CCCCC)OCOC 34a_100011215632_100000042856 [0,1,0,0,0,1|2,0,0]=4 4560 B14R0.529 C=C(CSC(C)CCCCC)OCOC 62a_100000042856_200011218191 [0,1,0,0,0,1|2,0,0]=4 4561 B14R0.529 C=C(CSC(C)CCCCC)OCOC 62a_200011218191_100000042856 [0,1,0,0,0,1|2,0,0]=4 4562 B14R0.529 C=CCOC(=O)CNC(C)CCCCC 2230a_100000211957_100000033060 [0,1,0,0,0,1|1,0,1]=4 4563 B14R0.529 C=CCOC(=O)COC(C)CCCCC 34a_100011215632_100000033060 [0,1,0,0,0,1|1,0,1]=4 4564 B14R0.529 C=CCOC(=O)COC(C)CCCCC 7a_100011215632_100000033060 [0,1,0,0,0,1|1,0,1]=4 4565 B14R0.529 C=CCOC(=O)CSC(C)CCCCC 62a_100000033060_200011218191 [0,1,0,0,0,1|1,0,1]=4 4566 B14R0.529 C=CCOC(=O)CSC(C)CCCCC 62a_200011218191_100000033060 [0,1,0,0,0,1|1,0,1]=4 4567 B14R0.529 CCCCCC(=O)COC(=O)OCCC 1458a_100000212188_200000139673 [0,1,0,0,0,1|0,0,2]=4 4568 B14R0.529 CCCCCC(C)CCC(=O)CCCC 1458a_100000034243_100000210211 [0,1,0,0,0,1|2,0,0]=4 4569 B14R0.529 CCCCCC(C)CCC(=O)CCCF 1458a_100000034243_100011934791 [0,1,0,0,0,1|2,0,0]=4 4570 B14R0.529 CCCCCC(C)CCC(=O)CCCO 1458a_100000034243_100011215043 [0,1,0,0,0,1|2,0,0]=4 4571 B14R0.529 CCCCCC(C)CCC(=O)CCOC 1458a_100000034243_100000233755 [0,1,0,0,0,1|2,0,0]=4 4572 B14R0.529 CCCCCC(C)CCC(=O)CCSC 1458a_100000034243_100000751147 [0,1,0,0,0,1|2,0,0]=4 4573 B14R0.529 CCCCCC(C)CCC(=O)NCCC 11a_100020643023_100000034243 [0,1,0,0,0,1|2,0,0]=4 4574 B14R0.529 CCCCCC(C)CCC(=O)NCCC 1626a_100020643023_100000034243 [0,1,0,0,0,1|2,0,0]=4 4575 B14R0.529 CCCCCC(C)CCC(=O)NCCC 240690a_100020643023_100000034243 [0,1,0,0,0,1|2,0,0]=4 4576 B14R0.529 CCCCCC(C)CCC(=O)NCCC 527a_100020643023_100000034243 [0,1,0,0,0,1|2,0,0]=4 4577 B14R0.529 CCCCCC(C)CCC(=O)NCCF 11a_100000724931_100000034243 [0,1,0,0,0,1|2,0,0]=4 4578 B14R0.529 CCCCCC(C)CCC(=O)NCCF 1626a_100000724931_100000034243 [0,1,0,0,0,1|2,0,0]=4 4579 B14R0.529 CCCCCC(C)CCC(=O)NCCF 240690a_100000724931_100000034243 [0,1,0,0,0,1|2,0,0]=4 4580 B14R0.529 CCCCCC(C)CCC(=O)NCCF 527a_100000724931_100000034243 [0,1,0,0,0,1|2,0,0]=4 4581 B14R0.529 CCCCCC(C)CCC(=O)NCCO 240690a_100000210304_100000034243 [0,1,0,0,0,1|2,0,0]=4 4582 B14R0.529 CCCCCC(C)CCC(=O)NCCO 527a_100000210304_100000034243 [0,1,0,0,0,1|2,0,0]=4 4583 B14R0.529 CCCCCC(C)CCC(=O)NNCC 22a_100000756455_100000034243 [0,1,0,0,0,1|2,0,0]=4 4584 B14R0.529 CCCCCC(C)NCC(=O)NCCC 2230a_100000174927_200011218191 [0,1,0,0,0,1|2,0,0]=4 4585 B14R0.529 CCCCCC(C)NCC(=O)NCCC 2230a_100000211957_100000183358 [0,1,0,0,0,1|2,0,0]=4 4586 B14R0.529 CCCCCC(C)NCC(=O)NCCC 270004a_100000174927_100000211708 [0,1,0,0,0,1|2,0,0]=4 4587 B14R0.529 CCCCCC(C)NCC(=O)NCCF 2230a_100000725713_200011218191 [0,1,0,0,0,1|2,0,0]=4 4588 B14R0.529 CCCCCC(C)NCC(=O)NCCF 270004a_100000725713_100000211708 [0,1,0,0,0,1|2,0,0]=4 4589 B14R0.529 CCCCCC(C)NCC(=O)OCCC 2230a_100000211957_200011215008 [0,1,0,0,0,1|1,0,0]=3 4590 B14R0.529 CCCCCC(C)OCC(=O)NCCC 34a_100011215632_100000183358 [0,1,0,0,0,1|2,0,0]=4 4591 B14R0.529 CCCCCC(C)OCC(=O)NCCC 7a_100011215632_100000183358 [0,1,0,0,0,1|2,0,0]=4 4592 B14R0.529 CCCCCC(C)OCC(=O)OCCC 34a_100011215632_200011215008 [0,1,0,0,0,1|1,0,0]=3 4593 B14R0.529 CCCCCC(C)OCC(=O)OCCC 7a_100011215632_200011215008 [0,1,0,0,0,1|1,0,0]=3 4594 B14R0.529 CCCCCC(C)SCC(=O)NCCC 62a_100000183358_200011218191 [0,1,0,0,0,1|2,0,0]=4 4595 B14R0.529 CCCCCC(C)SCC(=O)NCCC 62a_200011218191_100000183358 [0,1,0,0,0,1|2,0,0]=4 4596 B14R0.529 CCCCCC(C)SCC(=O)OCCC 62a_200011215008_200011218191 [0,1,0,0,0,1|1,0,0]=3 4597 B14R0.529 CCCCCC(C)SCC(=O)OCCC 62a_200011218191_200011215008 [0,1,0,0,0,1|1,0,0]=3 4598 B14R0.529 CCCCCN(C)COC(=O)OCCC 269982a_100000223495_200000139673 [0,1,0,0,0,1|2,0,0]=4 4599 B14R0.529 CCCOC(=O)COC(C)CCCOC 34a_200011539412_200011215008 [0,1,0,0,0,1|2,0,0]=4 4600 B14R0.529 CCCOC(=O)COC(C)CCCOC 7a_200011539412_200011215008 [0,1,0,0,0,1|2,0,0]=4 4601 B14R0.597 CCCCC(=O)C(C)CCC(=O)OCC 1458a_100000210183_100000748298 [0,1,0,0,0,1|1,0,1]=4 4602 B14R0.597 CCCCC(C)C(=O)CCC(=O)OCC 1458a_100000183558_200011215066 [0,1,0,0,0,1|0,0,2]=4 4603 B14R0.597 CCCCC(C)C(=O)CNC(=O)OCC 1458a_100000190774_200011215066 [0,1,0,0,0,1|0,0,2]=4 4604 B14R0.597 CCCCC(C)C(=O)NCC(=O)OCC 188690a_100000741813_100000725509 [0,1,0,0,0,1|0,0,2]=4 4605 B14R0.597 CCCCC(C)N(C)CCC(=O)OCC 2230a_100000745921_200011215066 [0,1,0,0,0,1|2,0,0]=4 4606 B14R0.597 CCCCC(C)N(C)CCC(=O)OCC 269982a_100000745921_200011215066 [0,1,0,0,0,1|2,0,0]=4 4607 B14R0.597 CCCCC(O)C(=O)NCC(=O)OCC 188690a_100000741813_100000720857 [0,1,0,0,0,1|0,0,2]=4 4608 B14R0.597 CCCCN(C)C(C)CCC(=O)OCC 2230a_100000207549_100000748298 [0,1,0,0,0,1|2,0,0]=4 4609 B14R0.597 CCCCN(C)C(C)CCC(=O)OCC 269982a_100000207549_100000748298 [0,1,0,0,0,1|2,0,0]=4 4610 B14R0.615 C#CC(CCCCC)OCC(=O)CCC 7a_100011216489_100000747444 [0,1,0,0,0,1|2,0,0]=4 4611 B14R0.615 C#CC(CCCCC)OCC(=O)NCC 34a_100011216489_100000183381 [0,1,0,0,0,1|2,0,0]=4 4612 B14R0.615 C#CC(CCCCC)OCC(=O)NCC 7a_100011216489_100000183381 [0,1,0,0,0,1|2,0,0]=4 4613 B14R0.615 C#CC(CCCCC)OCC(=O)OCC 34a_100011216489_100000188475 [0,1,0,0,0,1|1,0,0]=3 4614 B14R0.615 C#CC(CCCCC)OCC(=O)OCC 7a_100011216489_100000188475 [0,1,0,0,0,1|1,0,0]=3 4615 B14R0.615 C=CC(CCCCC)OCC(=O)CCC 7a_100011216863_100000747444 [0,1,0,0,0,1|2,0,0]=4 4616 B14R0.615 C=CC(CCCCC)OCC(=O)NCC 34a_100011216863_100000183381 [0,1,0,0,0,1|2,0,0]=4 4617 B14R0.615 C=CC(CCCCC)OCC(=O)NCC 7a_100011216863_100000183381 [0,1,0,0,0,1|2,0,0]=4 4618 B14R0.615 C=CC(CCCCC)OCC(=O)OCC 34a_100011216863_100000188475 [0,1,0,0,0,1|1,0,0]=3 4619 B14R0.615 C=CC(CCCCC)OCC(=O)OCC 7a_100011216863_100000188475 [0,1,0,0,0,1|1,0,0]=3 4620 B14R0.615 CCCCCC(CC)NCC(=O)NCC 270004a_100016988866_100011215316 [0,1,0,0,0,1|2,0,0]=4 4621 B14R0.615 CCCCCC(CC)OCC(=O)CCC 7a_100011215405_100000747444 [0,1,0,0,0,1|2,0,0]=4 4622 B14R0.615 CCCCCC(CC)OCC(=O)NCC 34a_100011215405_100000183381 [0,1,0,0,0,1|2,0,0]=4 4623 B14R0.615 CCCCCC(CC)OCC(=O)NCC 7a_100011215405_100000183381 [0,1,0,0,0,1|2,0,0]=4 4624 B14R0.615 CCCCCC(CC)OCC(=O)OCC 34a_100011215405_100000188475 [0,1,0,0,0,1|1,0,0]=3 4625 B14R0.615 CCCCCC(CC)OCC(=O)OCC 7a_100011215405_100000188475 [0,1,0,0,0,1|1,0,0]=3 4626 B14R0.615 CCCCCN(CC)CCC(=O)OCC 2230a_200011277716_100000210326 [0,1,0,0,0,1|2,0,0]=4 4627 B14R0.615 CCCCCN(CC)CCC(=O)OCC 269982a_200011277716_100000210215 [0,1,0,0,0,1|2,0,0]=4 4628 B14R0.1240 CCCC(=O)COC(C)CCC(C)CC 7a_200011216552_100000747444 [0,1,0,0,0,1|2,0,0]=4 4629 B14R0.1240 CCNC(=O)COC(C)CCC(C)CC 7a_200011216552_100000183381 [0,1,0,0,0,1|2,0,0]=4 4630 B14R0.1240 CCOC(=O)CCC(C)NCC(C)CC 2230a_100020588543_100000748298 [0,1,0,0,0,1|2,0,0]=4 4631 B14R0.1240 CCOC(=O)CCC(C)NCC(O)CC 2230a_100011218483_100000748298 [0,1,0,0,0,1|2,0,0]=4 4632 B14R0.1240 CCOC(=O)CCC(C)OC[C@@H](C)CC 7a_100009816381_100000748298 [0,1,0,0,0,1|2,0,0]=4 4633 B14R0.1240 CCOC(=O)CCC(C)SCC(C)CC 62a_100000748023_100000748298 [0,1,0,0,0,1|2,0,0]=4 4634 B14R0.1240 CCOC(=O)CCC(C)SCC(C)CC 62a_100000748298_100000748023 [0,1,0,0,0,1|2,0,0]=4 4635 B14R0.1240 CCOC(=O)CCC(C)SCC(O)CC 62a_100000748298_100011218378 [0,1,0,0,0,1|2,0,0]=4 4636 B14R0.1240 CCOC(=O)CCC(C)SCC(O)CC 62a_100011218378_100000748298 [0,1,0,0,0,1|2,0,0]=4 4637 B14R0.1240 CCOC(=O)CCC(C)SC[C@@H](C)CC 62a_100000748298_100009816398 [0,1,0,0,0,1|2,0,0]=4 4638 B14R0.1240 CCOC(=O)CCC(C)SC[C@@H](C)CC 62a_100009816398_100000748298 [0,1,0,0,0,1|2,0,0]=4 4639 B14R0.1240 CCOC(=O)CNC(=O)CCC(C)CC 188690a_100000741813_100000701222 [0,1,0,0,0,1|0,0,2]=4 4640 B14R0.1240 CCOC(=O)CNC(=O)CCC(O)CC 188690a_100000741813_203496584001 [0,1,0,0,0,1|0,0,2]=4 4641 B14R0.1240 CCOC(=O)COC(C)CCC(C)CC 7a_200011216552_100000188475 [0,1,0,0,0,1|1,0,0]=3 4642 B14R0.2424 CCCCCC(=O)C(C)CC(=O)OCC 1458a_100000212188_100009817359 [0,1,0,0,0,1|0,0,2]=4 4643 B14R0.2424 CCCCCC(=O)N(C)CC(=O)OCC 11a_100000220588_100000212188 [0,1,0,0,0,1|0,0,2]=4 4644 B14R0.2424 CCCCCC(=O)N(C)CC(=O)OCC 1626a_100000220588_100000212188 [0,1,0,0,0,1|0,0,2]=4 4645 B14R0.2424 CCCCCC(=O)N(C)CC(=O)OCC 240690a_100000220588_100000212188 [0,1,0,0,0,1|0,0,2]=4 4646 B14R0.2424 CCCCCC(=O)N(C)CC(=O)OCC 527a_100000220588_100000212188 [0,1,0,0,0,1|0,0,2]=4 4647 B14R0.2424 CCCCCC(C)C(=O)CC(=O)CCC 1458a_100011215998_100000747444 [0,1,0,0,0,1|2,0,0]=4 4648 B14R0.2424 CCCCCC(C)C(=O)CC(=O)NCC 1458a_100011215998_100000183381 [0,1,0,0,0,1|2,0,0]=4 4649 B14R0.2424 CCCCCC(C)C(=O)CC(=O)OCC 1458a_100000243816_200011218191 [0,1,0,0,0,1|1,0,0]=3 4650 B14R0.2424 CCCCCC(C)C(=O)CC(=O)OCC 1458a_100011215998_100000188475 [0,1,0,0,0,1|1,0,0]=3 4651 B14R0.2424 CCCCCC(C)N(C)CC(=O)NCC 2230a_100000741943_200011218191 [0,1,0,0,0,1|2,0,0]=4 4652 B14R0.2424 CCCCCC(C)N(C)CC(=O)NCC 269982a_100000741943_200011218191 [0,1,0,0,0,1|2,0,0]=4 4653 B14R0.2424 CCCCCC(C)N(C)CC(=O)NCC 270004a_100000741943_100000211708 [0,1,0,0,0,1|2,0,0]=4 4654 B14R0.2424 CCCCCC(C)N(C)CC(=O)OCC 2230a_100000220588_200011218191 [0,1,0,0,0,1|1,0,0]=3 4655 B14R0.2424 CCCCCC(C)N(C)CC(=O)OCC 270004a_100000220588_100000211708 [0,1,0,0,0,1|1,0,0]=3 4656 B14R0.2424 CCCCCN(C)C(=O)CC(=O)OCC 240690a_100000223495_100000243816 [0,1,0,0,0,1|2,0,0]=4 4657 B14R0.2424 CCCCCN(C)C(C)CC(=O)OCC 2230a_100000223495_100009817359 [0,1,0,0,0,1|2,0,0]=4 4658 B14R0.2424 CCCCCN(C)C(C)CC(=O)OCC 269982a_100000223495_100009817359 [0,1,0,0,0,1|2,0,0]=4 4659 B14R0.2424 CCCCCN(C)C(C)OC(=O)OCC 269982a_100000223495_100000036008 [0,1,0,0,0,1|2,0,0]=4 4660 B14R0.2424 CCCCSC(C)C(=O)CC(=O)OCC 1458a_100000191163_100000188475 [0,1,0,0,0,1|2,0,0]=4 4661 B14R0.2424 CCCCSC(C)C(=O)CC(=O)OCC 62a_100000210211_100010090504 [0,1,0,0,0,1|2,0,0]=4 4662 B14R0.2424 CCCCSC(C)C(=O)CC(=O)OCC 62a_100010090504_100000210210 [0,1,0,0,0,1|2,0,0]=4 4663 B14R0.2424 CCCSCC(C)N(C)CC(=O)OCC 270004a_100000220588_100011343953 [0,1,0,0,0,1|2,0,0]=4 4664 B14R0.2424 CCOC(=O)CN(C)C(C)CCCSC 270004a_100000220588_100011399439 [0,1,0,0,0,1|2,0,0]=4 4665 B14R0.2424 CCOCCC(C)N(C)CC(=O)OCC 270004a_100000220588_200011216536 [0,1,0,0,0,1|2,0,0]=4 4666 B14R0.36 CCOC(=O)CC(C)C(=O)CC(C)CC 1458a_100000708755_100009817359 [0,2,0,0,0,0|1,0,1]=4 4667 B14R0.36 CCOC(=O)CC(C)C(=O)CC(O)CC 1458a_100011667805_100009817359 [0,2,0,0,0,0|1,0,1]=4 4668 B14R0.36 CCOC(=O)CC(C)N(C)CC(C)CC 2230a_100000753921_100009817359 [0,2,0,0,0,0|2,0,0]=4 4669 B14R0.36 CCOC(=O)CC(C)N(C)CC(C)CC 269982a_100000753921_100009817359 [0,2,0,0,0,0|2,0,0]=4 4670 B14R0.36 CCOC(=O)CN(C)C(C)CC(C)CC 270004a_100000220588_100011710205 [0,2,0,0,0,0|2,0,0]=4 4671 B14R0.44 CCCCC(C)C(=O)CC(=O)OC(C)C 1458a_100000725509_100011215430 [0,2,0,0,0,0|0,0,2]=4 4672 B14R0.44 CCCCC(O)C(=O)CC(=O)OC(C)C 1458a_100000720857_100011215430 [0,2,0,0,0,0|0,0,2]=4 4673 B14R0.47 CCCCC(C)C(=O)C(C)C(=O)OCC 1458a_100000725509_100011216346 [0,2,0,0,0,0|0,0,2]=4 4674 B14R0.47 CCCCC(C)C(=O)C(C)C(=O)OCC 1458a_100132301724_200011215066 [0,2,0,0,0,0|0,0,2]=4 4675 B14R0.47 CCCCC(C)C(=O)C(F)C(=O)OCC 1458a_100000725509_100000760018 [0,2,0,0,0,0|0,0,2]=4 4676 B14R0.47 CCCCC(O)C(=O)C(C)C(=O)OCC 1458a_100000720857_100011216346 [0,2,0,0,0,0|0,0,2]=4 4677 B14R0.47 CCCCC(O)C(=O)C(F)C(=O)OCC 1458a_100000720857_100000760018 [0,2,0,0,0,0|0,0,2]=4 4678 B14R0.1172 CCOC(=O)CC(=O)C(C)CCC(C)C 1458a_100000243816_100011261404 [0,2,0,0,0,0|0,0,2]=4 4679 B14R0.1172 CCOC(=O)CC(C)C(=O)CCC(C)C 1458a_100000181311_100009817359 [0,2,0,0,0,0|1,0,1]=4 4680 B14R0.1172 CCOC(=O)CC(C)N(C)CCC(C)C 2230a_100000742789_100009817359 [0,2,0,0,0,0|2,0,0]=4 4681 B14R0.1172 CCOC(=O)CC(C)N(C)CCC(C)C 269982a_100000742789_100009817359 [0,2,0,0,0,0|2,0,0]=4 4682 B14R0.1172 CCOC(=O)CN(C)C(C)CCC(C)C 2230a_100000220588_100011261404 [0,2,0,0,0,0|2,0,0]=4 4683 B14R0.1172 CCOC(=O)CN(C)C(C)CCC(C)C 270004a_100000220588_100000210476 [0,2,0,0,0,0|2,0,0]=4 4684 B14R0.1299 CCCCC(C)C(=O)CC(=O)OCCC 1458a_100000725509_200011215008 [0,2,0,0,0,0|0,0,2]=4 4685 B14R0.1299 CCCCC(O)C(=O)CC(=O)OCCC 1458a_100000720857_200011215008 [0,2,0,0,0,0|0,0,2]=4 4686 B14R0.1312 CCCCC(C)N(CC)CC(=O)OCC 2230a_100000220607_200011215066 [0,2,0,0,0,0|2,0,0]=4 4687 B14R0.1312 CCCCC(C)N(CC)CC(=O)OCC 269982a_100000220607_200011215066 [0,2,0,0,0,0|2,0,0]=4 4688 B14R0.1312 CCCCC(C)N(CC)CC(=O)OCC 270004a_100000220607_100000210087 [0,2,0,0,0,0|2,0,0]=4 4689 B14R0.2263 CCCCC(CC)C(=O)CC(=O)OCC 1458a_100000211130_100000188475 [0,2,0,0,0,0|0,0,2]=4 4690 B14R0.2263 CCCCC(CC)C(=O)CC(=O)OCC 1458a_100000243816_200011216223 [0,2,0,0,0,0|0,0,2]=4 4691 B14R0.2263 CCCCC(CC)N(C)CC(=O)OCC 270004a_100000220588_100000753412 [0,2,0,0,0,0|2,0,0]=4 4692 B14R0.2263 CCCCN(CC)C(C)CC(=O)OCC 2230a_100000207695_100009817359 [0,2,0,0,0,0|2,0,0]=4 4693 B14R0.2263 CCCCN(CC)C(C)CC(=O)OCC 269982a_100000207695_100009817359 [0,2,0,0,0,0|2,0,0]=4 4694 B14R0.2864 CCCC(C)C(=O)C(C)CC(=O)OCC 1458a_100000210906_100009817359 [0,2,0,0,0,0|1,0,1]=4 4695 B14R0.2864 CCCC(C)C(C)N(C)CC(=O)OCC 270004a_100000220588_100011216282 [0,2,0,0,0,0|2,0,0]=4 4696 B14R0.2864 CCCC(C)CC(=O)C(C)C(=O)OCC 1458a_100000748435_100011216346 [0,2,0,0,0,0|0,0,2]=4 4697 B14R0.2864 CCCC(C)CC(=O)C(C)C(=O)OCC 1458a_100132301724_100011216630 [0,2,0,0,0,0|0,0,2]=4 4698 B14R0.2864 CCCC(C)CC(=O)C(F)C(=O)OCC 1458a_100000748435_100000760018 [0,2,0,0,0,0|0,0,2]=4 4699 B14R0.2864 CCC[C@H](O)C(=O)C(C)CC(=O)OCC 1458a_100009822183_100009817359 [0,2,0,0,0,0|1,0,1]=4 4700 B14R0.3544 CCCCC(C)(C)C(=O)CC(=O)OCC 1458a_100011216040_100000188475 [0,2,0,0,0,0|0,0,2]=4 4701 B14R0.3544 CCCCC(C)(O)C(=O)CC(=O)OCC 1458a_100000137666_100000188475 [0,2,0,0,0,0|0,0,2]=4 4702 B14R0.3544 CCCCC(F)(F)C(=O)CC(=O)OCC 1458a_100000100317_100000188475 [0,2,0,0,0,0|0,0,2]=4 4703 B14R0.154 C=CCCN(C)C[C@@H](O)CC(=O)OCC 269982a_100020639649_100000688340 [0,2,0,0,0,0|0,0,2]=4 4704 B14R0.154 CCCCC(=O)NC(C)CC(=O)OCC 188690a_100000686176_100000210183 [0,2,0,0,0,0|1,0,1]=4 4705 B14R0.154 CCCCC(C)NC(=O)CC(=O)OCC 240690a_100000126638_100000243816 [0,2,0,0,0,0|0,0,2]=4 4706 B14R0.154 CCCCC(C)NC(C)CC(=O)OCC 2230a_100000126638_100009817359 [0,2,0,0,0,0|1,0,0]=3 4707 B14R0.154 CCCCC(C)OC(C)CC(=O)OCC 7a_100000687866_100009817359 [0,2,0,0,0,0|1,0,0]=3 4708 B14R0.154 CCCCC(C)O[C@H](C)CC(=O)OCC 7a_100009816390_200011215066 [0,2,0,0,0,0|1,0,0]=3 4709 B14R0.154 CCCCC(C)SC(C)CC(=O)OCC 62a_100009817359_200011215066 [0,2,0,0,0,0|1,0,0]=3 4710 B14R0.154 CCCCC(C)SC(C)CC(=O)OCC 62a_200011215066_100009817359 [0,2,0,0,0,0|1,0,0]=3 4711 B14R0.154 CCCCC(C)SC(C)OC(=O)OCC 62a_100000036008_200011215066 [0,2,0,0,0,0|2,0,0]=4 4712 B14R0.154 CCCCC(C)SC(C)OC(=O)OCC 62a_200011215066_100000036008 [0,2,0,0,0,0|2,0,0]=4 4713 B14R0.154 CCCCN(C)CC(=O)CC(=O)OCC 269982a_100000207549_100000210311 [0,2,0,0,0,0|0,0,2]=4 4714 B14R0.154 CCCCN(C)C[C@@H](O)CC(=O)OCC 269982a_100000207549_100000688340 [0,2,0,0,0,0|0,0,0]=2 4715 B14R0.154 CCCOC(=O)CC(=O)CC(C)CCC 1458a_100000748435_200011215008 [0,2,0,0,0,0|0,0,2]=4 4716 B14R0.154 CCOC(=O)CC(C)OC(C)CCCCl 7a_200000718107_100009817359 [0,2,0,0,0,0|2,0,0]=4 4717 B14R0.154 CCOC(=O)C[C@H](O)CN(C)CCCO 269982a_100000213112_100000688340 [0,2,0,0,0,0|1,0,0]=3 4718 B14R0.154 CCOC(=O)C[C@H](O)CN(C)CCOC 269982a_100000743101_100000688340 [0,2,0,0,0,0|1,0,0]=3 4719 B14R0.154 CCOC(=O)C[C@H](O)CN(C)CCSC 269982a_100000686725_100000688340 [0,2,0,0,0,0|1,0,0]=3 4720 B14R0.154 CCOCC(C)OC(C)CC(=O)OCC 7a_100000718985_100009817359 [0,2,0,0,0,0|2,0,0]=4 4721 B14R0.390 C=C(C)CN(C)C[C@@H](O)CC(=O)OCC 269982a_100000225649_100000688340 [0,2,0,0,0,0|1,0,1]=4 4722 B14R0.390 CCCC(C)CC(=O)CC(=O)OC(C)C 1458a_100000748435_100011215430 [0,2,0,0,0,0|0,0,2]=4 4723 B14R0.390 CCOC(=O)CC(C)NC(C)CC(C)C 2230a_100000692259_100009817359 [0,2,0,0,0,0|2,0,0]=4 4724 B14R0.390 CCOC(=O)CC(C)OC(C)CC(C)C 7a_100000211805_100009817359 [0,2,0,0,0,0|2,0,0]=4 4725 B14R0.390 CCOC(=O)CC(C)SC(C)CC(C)C 62a_100000731052_100009817359 [0,2,0,0,0,0|2,0,0]=4 4726 B14R0.390 CCOC(=O)CC(C)SC(C)CC(C)C 62a_100009817359_100000731052 [0,2,0,0,0,0|2,0,0]=4 4727 B14R0.390 CCOC(=O)C[C@@H](C)OC(C)CC(C)C 7a_100009816390_100000731052 [0,2,0,0,0,0|2,0,0]=4 4728 B14R0.390 CCOC(=O)C[C@H](O)CN(C)CC(C)C 269982a_100000747067_100000688340 [0,2,0,0,0,0|1,0,0]=3 4729 B14R0.390 CCOC(=O)C[C@H](O)CN(C)CC(C)O 269982a_100000227577_100000688340 [0,2,0,0,0,0|1,0,0]=3 4730 B14R0.707 CCCC(C)CN(CC)CC(=O)OCC 2230a_100000220607_100011216630 [0,2,0,0,0,0|2,0,0]=4 4731 B14R0.707 CCCC(C)CN(CC)CC(=O)OCC 269982a_100000220607_100011216630 [0,2,0,0,0,0|2,0,0]=4 4732 B14R0.707 CCCC(C)CN(CC)CC(=O)OCC 270004a_100000220607_100000243154 [0,2,0,0,0,0|2,0,0]=4 4733 B14R0.707 CCCC(C)O[C@H](CCl)CC(=O)OCC 7a_100000688340_100000766640 [0,2,0,0,0,0|2,0,0]=4 4734 B14R0.707 CCOC(=O)CC(CC(=O)OCC)OC 7a_100000034584_200000210301 [0,2,0,0,0,0|1,0,1]=4 4735 B14R0.707 CCOC(=O)CC(CC(=O)OCC)O[13CH3] 7a_100000034584_200025704644 [0,2,0,0,0,0|1,0,1]=4 4736 B14R0.722 CCCC(C)OC(C)(C)CC(=O)OCC 7a_100000765344_100000766640 [0,2,0,0,0,0|2,0,0]=4 4737 B14R0.1230 CCCC(C)(C)OC(C)CC(=O)OCC 7a_100000748436_100009817359 [0,2,0,0,0,0|2,0,0]=4 4738 B14R0.1230 CCCC(C)(O)CC(=O)CC(=O)OCC 1458a_100011667670_100000188475 [0,2,0,0,0,0|0,0,2]=4 4739 B14R0.2868 C#CC(CCC)OC(C)CC(=O)OCC 7a_200011217317_100009817359 [0,2,0,0,0,0|2,0,0]=4 4740 B14R0.2868 C=CC(CCC)OC(C)CC(=O)OCC 7a_100011216692_100009817359 [0,2,0,0,0,0|2,0,0]=4 4741 B14R0.2868 CCCC(C#N)OC(C)CC(=O)OCC 7a_100000686963_100009817359 [0,2,0,0,0,0|2,0,0]=4 4742 B14R0.2868 CCCC(CC)NC(C)CC(=O)OCC 2230a_100000747048_100009817359 [0,2,0,0,0,0|2,0,0]=4 4743 B14R0.2868 CCCC(CC)OC(C)CC(=O)OCC 7a_100000687864_100009817359 [0,2,0,0,0,0|2,0,0]=4 4744 B14R0.2868 CCCC(CC)O[C@H](C)CC(=O)OCC 7a_100009816390_100011219200 [0,2,0,0,0,0|2,0,0]=4 4745 B14R0.2868 CCCC(CC)SC(C)CC(=O)OCC 62a_100009817359_100011219200 [0,2,0,0,0,0|2,0,0]=4 4746 B14R0.2868 CCCC(CC)SC(C)CC(=O)OCC 62a_100011219200_100009817359 [0,2,0,0,0,0|2,0,0]=4 4747 B14R0.2868 CCCN(CC)C[C@@H](O)CC(=O)OCC 269982a_100000226822_100000688340 [0,2,0,0,0,0|1,0,0]=3 4748 B14R0.2868 CCC[C@@H](CO)NC(C)CC(=O)OCC 2230a_100000732646_100009817359 [0,2,0,0,0,0|2,0,0]=4 4749 B14R0.2868 CCOC(=O)C[C@H](O)CN(CC)CCO 269982a_100000210973_100000688340 [0,2,0,0,0,0|2,0,0]=4 4750 B14R0.2872 CCOC(=O)CC(C)OC(C)C(C)CC 7a_100011215189_100009817359 [0,2,0,0,0,0|2,0,0]=4 4751 B14R0.2872 CCOC(=O)C[C@H](O)CN(C)C(C)CC 269982a_100000741768_100000688340 [0,2,0,0,0,0|1,0,0]=3 4752 B14R0.2872 CCOC(=O)C[C@H](O)CN(C)C(C)CO 269982a_100000693034_100000688340 [0,2,0,0,0,0|2,0,0]=4 4753 B14R0.74 CCCOC(=O)CC(=O)CCCC(C)C 1458a_100011216857_200011215008 [0,2,0,0,0,0|0,0,2]=4 4754 B14R0.74 CCOCC(=O)NC(C)CCCC(C)C 11a_100000210607_100000211967 [0,2,0,0,0,0|2,0,0]=4 4755 B14R0.74 CCOCC(=O)NC(C)CCCC(C)C 1626a_100000210607_100000211967 [0,2,0,0,0,0|2,0,0]=4 4756 B14R0.74 CCOCC(=O)NC(C)CCCC(C)C 240690a_100000210607_100000211967 [0,2,0,0,0,0|2,0,0]=4 4757 B14R0.74 CCOCC(=O)NC(C)CCCC(C)C 34a_100121572206_100000230334 [0,2,0,0,0,0|2,0,0]=4 4758 B14R0.74 CCOCC(=O)NC(C)CCCC(C)C 527a_100000210607_100000211967 [0,2,0,0,0,0|2,0,0]=4 4759 B14R0.203 CCCCCCC(=O)CC(=O)OCCC 1458a_100102632555_200011215008 [0,2,0,0,0,0|0,0,2]=4 4760 B14R0.203 CCCCCCC(C)NC(=O)COCC 11a_100000210919_100000211967 [0,2,0,0,0,0|2,0,0]=4 4761 B14R0.203 CCCCCCC(C)NC(=O)COCC 1626a_100000210919_100000211967 [0,2,0,0,0,0|2,0,0]=4 4762 B14R0.203 CCCCCCC(C)NC(=O)COCC 240690a_100000210919_100000211967 [0,2,0,0,0,0|2,0,0]=4 4763 B14R0.203 CCCCCCC(C)NC(=O)COCC 34a_100121572206_100000230341 [0,2,0,0,0,0|2,0,0]=4 4764 B14R0.203 CCCCCCC(C)NC(=O)COCC 527a_100000210919_100000211967 [0,2,0,0,0,0|2,0,0]=4 4765 B14R0.203 CCCCCCN(C)CC(=O)OCCC 2230a_106256046315_200011215008 [0,2,0,0,0,0|2,0,0]=4 4766 B14R0.203 CCCCCCN(C)CC(=O)OCCC 269982a_106256046315_200011215008 [0,2,0,0,0,0|2,0,0]=4 4767 B14R0.203 CCCCCNC(=O)CC(=O)COCC 1458a_100000211967_100000230301 [0,2,0,0,0,0|0,0,2]=4 4768 B14R0.203 CCCCOCC(=O)CC(=O)OCCC 1458a_100000757543_200011215008 [0,2,0,0,0,0|0,0,2]=4 4769 B14R0.203 CCCCSCC(=O)CC(=O)OCCC 1458a_100000191162_200011215008 [0,2,0,0,0,0|0,0,2]=4 4770 B14R0.203 CCCOC(=O)CC(=O)CCCCCO 1458a_100102619762_200011215008 [0,2,0,0,0,0|0,0,2]=4 4771 B14R0.203 CCCOC(=O)CN(C)CCCCCO 2230a_100000722520_200011215008 [0,2,0,0,0,0|2,0,0]=4 4772 B14R0.203 CCCOC(=O)CN(C)CCCCCO 269982a_100000722520_200011215008 [0,2,0,0,0,0|2,0,0]=4 4773 B14R0.449 CCCOC(=O)CC(=O)CCC(C)CC 1458a_100000701222_200011215008 [0,2,0,0,0,0|0,0,2]=4 4774 B14R0.474 CCCCCC(=O)C(C)C(=O)OCCC 1458a_100000212188_100000760410 [0,2,0,0,0,0|0,0,2]=4 4775 B14R0.474 CCCCCN(C)C(C)C(=O)OCCC 2230a_100000223495_100000760410 [0,2,0,0,0,0|2,0,0]=4 4776 B14R0.474 CCCCCN(C)C(C)C(=O)OCCC 269982a_100000223495_100000760410 [0,2,0,0,0,0|2,0,0]=4 4777 B14R0.1444 CCCCCC(=O)CC(=O)C=COCC 1458a_100016266692_200012276598 [0,2,0,0,0,0|0,0,2]=4 4778 B14R0.1444 CCCCCC(=O)CC(=O)CCOCC 1458a_100000749530_200012276598 [0,2,0,0,0,0|0,0,2]=4 4779 B14R0.1444 CCCCCC(=O)CC(=O)COCCC 1458a_100000745993_200012276598 [0,2,0,0,0,0|0,0,2]=4 4780 B14R0.1444 CCCCCC(=O)CC(=O)COCCO 1458a_100000708028_200012276598 [0,2,0,0,0,0|0,0,2]=4 4781 B14R0.1444 CCCCCC(=O)CC(=O)OCCCC 1458a_100000212188_100000211628 [0,2,0,0,0,0|0,0,2]=4 4782 B14R0.1444 CCCCCC(=O)CC(=O)OCCOC 1458a_100000212188_200000040189 [0,2,0,0,0,0|0,0,2]=4 4783 B14R0.1444 CCCCCC(C)NC(=O)C=COCC 11a_100000211957_100016266692 [0,2,0,0,0,0|2,0,0]=4 4784 B14R0.1444 CCCCCC(C)NC(=O)C=COCC 1626a_100000211957_100016266692 [0,2,0,0,0,0|2,0,0]=4 4785 B14R0.1444 CCCCCC(C)NC(=O)C=COCC 240690a_100000211957_100016266692 [0,2,0,0,0,0|2,0,0]=4 4786 B14R0.1444 CCCCCC(C)NC(=O)CCOCC 11a_100000211957_100000749530 [0,2,0,0,0,0|2,0,0]=4 4787 B14R0.1444 CCCCCC(C)NC(=O)CCOCC 1626a_100000211957_100000749530 [0,2,0,0,0,0|2,0,0]=4 4788 B14R0.1444 CCCCCC(C)NC(=O)CCOCC 240690a_100000211957_100000749530 [0,2,0,0,0,0|2,0,0]=4 4789 B14R0.1444 CCCCCC(C)NC(=O)CCOCC 527a_100000211957_100000749530 [0,2,0,0,0,0|2,0,0]=4 4790 B14R0.1444 CCCCCC(C)NC(=O)COCCBr 34a_100000211926_100000230335 [0,2,0,0,0,0|2,0,0]=4 4791 B14R0.1444 CCCCCC(C)NC(=O)COCCC 11a_100000211957_100000745993 [0,2,0,0,0,0|2,0,0]=4 4792 B14R0.1444 CCCCCC(C)NC(=O)COCCC 1626a_100000211957_100000745993 [0,2,0,0,0,0|2,0,0]=4 4793 B14R0.1444 CCCCCC(C)NC(=O)COCCC 240690a_100000211957_100000745993 [0,2,0,0,0,0|2,0,0]=4 4794 B14R0.1444 CCCCCC(C)NC(=O)COCCC 34a_100000210258_100000230335 [0,2,0,0,0,0|2,0,0]=4 4795 B14R0.1444 CCCCCC(C)NC(=O)COCCC 527a_100000211957_100000745993 [0,2,0,0,0,0|2,0,0]=4 4796 B14R0.1444 CCCCCC(C)NC(=O)COCCN 34a_100000210304_100000230335 [0,2,0,0,0,0|2,0,0]=4 4797 B14R0.1444 CCCCCC(C)NC(=O)COCCO 1626a_100000211957_100000708028 [0,2,0,0,0,0|2,0,0]=4 4798 B14R0.1444 CCCCCC(C)NC(=O)COCCO 240690a_100000211957_100000708028 [0,2,0,0,0,0|2,0,0]=4 4799 B14R0.1444 CCCCCC(C)OC(=O)COCCBr 34a_100000211926_200000092394 [0,2,0,0,0,0|2,0,0]=4 4800 B14R0.1444 CCCCCC(C)OC(=O)COCCC 34a_100000210258_200000092394 [0,2,0,0,0,0|2,0,0]=4 4801 B14R0.1444 CCCCCC(C)OC(=O)COCCN 34a_100000210304_200000092394 [0,2,0,0,0,0|2,0,0]=4 4802 B14R0.1444 CCCCCN(C)CC(=O)OCCCC 2230a_100000223495_100000211628 [0,2,0,0,0,0|2,0,0]=4 4803 B14R0.1444 CCCCCN(C)CC(=O)OCCCC 269982a_100000223495_100000211628 [0,2,0,0,0,0|2,0,0]=4 4804 B14R0.1444 CCCCCN(C)CC(=O)OCCOC 2230a_100000223495_200000040189 [0,2,0,0,0,0|2,0,0]=4 4805 B14R0.1444 CCCCCN(C)CC(=O)OCCOC 269982a_100000223495_200000040189 [0,2,0,0,0,0|2,0,0]=4 4806 B14R0.2430 CCCCCC(=O)CC(=O)COC(C)C 1458a_100000745533_200012276598 [0,2,0,0,0,0|0,0,2]=4 4807 B14R0.2430 CCCCCC(C)NC(=O)COC(C)C 11a_100000211957_100000745533 [0,2,0,0,0,0|2,0,0]=4 4808 B14R0.2430 CCCCCC(C)NC(=O)COC(C)C 1626a_100000211957_100000745533 [0,2,0,0,0,0|2,0,0]=4 4809 B14R0.2430 CCCCCC(C)NC(=O)COC(C)C 240690a_100000211957_100000745533 [0,2,0,0,0,0|2,0,0]=4 4810 B14R0.2430 CCCCCC(C)NC(=O)COC(C)C 34a_100000212225_100000230335 [0,2,0,0,0,0|2,0,0]=4 4811 B14R0.2430 CCCCCC(C)NC(=O)COC(C)C 527a_100000211957_100000745533 [0,2,0,0,0,0|2,0,0]=4 4812 B14R0.2430 CCCCCC(C)OC(=O)COC(C)C 34a_100000212225_200000092394 [0,2,0,0,0,0|2,0,0]=4 4813 B14R0.73 C#CCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100012094781 [0,2,0,0,0,0|0,0,2]=4 4814 B14R0.73 C#CCCCCCC(=O)CC(=O)OCC 1458a_100000694772_100000188475 [0,2,0,0,0,0|0,0,2]=4 4815 B14R0.73 C#CCCCCCN(C)CC(=O)OCC 2230a_100000220588_100012094781 [0,2,0,0,0,0|2,0,0]=4 4816 B14R0.73 C#CCCCCNC(C)CC(=O)OCC 2230a_100000706060_100009817359 [0,2,0,0,0,0|1,0,1]=4 4817 B14R0.73 C#CCCCCOC(C)CC(=O)OCC 7a_100000766709_100009817359 [0,2,0,0,0,0|1,0,1]=4 4818 B14R0.73 C#CCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100010269958 [0,2,0,0,0,0|1,0,1]=4 4819 B14R0.73 C#CCCCCSC(C)CC(=O)OCC 62a_100009817359_100010269958 [0,2,0,0,0,0|1,0,1]=4 4820 B14R0.73 C#CCCCCSC(C)CC(=O)OCC 62a_100010269958_100009817359 [0,2,0,0,0,0|1,0,1]=4 4821 B14R0.73 C#CCCCNC[C@@H](O)CC(=O)OCC 34a_100000718082_100000688340 [0,2,0,0,0,0|0,0,1]=3 4822 B14R0.73 C#CCCCOC[C@@H](O)CC(=O)OCC 34a_100000215630_100000688340 [0,2,0,0,0,0|0,0,1]=3 4823 B14R0.73 C#CCCCOC[C@@H](O)CC(=O)OCC 7a_100000215630_100000688340 [0,2,0,0,0,0|0,0,1]=3 4824 B14R0.73 C#CCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100011215417 [0,2,0,0,0,0|0,0,1]=3 4825 B14R0.73 C#CCCCSC[C@@H](O)CC(=O)OCC 62a_100011215417_100000688340 [0,2,0,0,0,0|0,0,1]=3 4826 B14R0.73 C/C=C/CCOC[C@@H](O)CC(=O)OCC 34a_100016278192_100000688340 [0,2,0,0,0,0|0,0,1]=3 4827 B14R0.73 C=CCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000700193 [0,2,0,0,0,0|0,0,2]=4 4828 B14R0.73 C=CCCCCCC(=O)CC(=O)OCC 1458a_100011934241_100000188475 [0,2,0,0,0,0|0,0,2]=4 4829 B14R0.73 C=CCCCCCN(C)CC(=O)OCC 2230a_100000220588_100000700193 [0,2,0,0,0,0|2,0,0]=4 4830 B14R0.73 C=CCCCCNC(C)CC(=O)OCC 2230a_100000703577_100009817359 [0,2,0,0,0,0|1,0,1]=4 4831 B14R0.73 C=CCCCCOC(C)CC(=O)OCC 7a_100000766645_100009817359 [0,2,0,0,0,0|1,0,1]=4 4832 B14R0.73 C=CCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100011215482 [0,2,0,0,0,0|1,0,1]=4 4833 B14R0.73 C=CCCCCSC(C)CC(=O)OCC 62a_100009817359_100011215482 [0,2,0,0,0,0|1,0,1]=4 4834 B14R0.73 C=CCCCCSC(C)CC(=O)OCC 62a_100011215482_100009817359 [0,2,0,0,0,0|1,0,1]=4 4835 B14R0.73 C=CCCCNC[C@@H](O)CC(=O)OCC 34a_100000700776_100000688340 [0,2,0,0,0,0|0,0,1]=3 4836 B14R0.73 C=CCCCOC[C@@H](O)CC(=O)OCC 34a_100000758997_100000688340 [0,2,0,0,0,0|0,0,1]=3 4837 B14R0.73 C=CCCCOC[C@@H](O)CC(=O)OCC 7a_100000758997_100000688340 [0,2,0,0,0,0|0,0,1]=3 4838 B14R0.73 C=CCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000757094 [0,2,0,0,0,0|0,0,1]=3 4839 B14R0.73 C=CCCCSC[C@@H](O)CC(=O)OCC 62a_100011713584_100000688340 [0,2,0,0,0,0|0,0,1]=3 4840 B14R0.73 C=COCCOC[C@@H](O)CC(=O)OCC 34a_100000033082_100000688340 [0,2,0,0,0,0|0,0,2]=4 4841 B14R0.73 C=COCCSC[C@@H](O)CC(=O)OCC 62a_100000039644_100000688340 [0,2,0,0,0,0|0,0,2]=4 4842 B14R0.73 C=COCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000039644 [0,2,0,0,0,0|0,0,2]=4 4843 B14R0.73 CC#CCCOC[C@@H](O)CC(=O)OCC 34a_100000750427_100000688340 [0,2,0,0,0,0|0,0,1]=3 4844 B14R0.73 CC/C=C\CCOC(C)CC(=O)OCC 7a_100016288707_100009817359 [0,2,0,0,0,0|1,0,1]=4 4845 B14R0.73 CC/C=C\CCO[C@H](C)CC(=O)OCC 7a_100009816390_100015370543 [0,2,0,0,0,0|1,0,1]=4 4846 B14R0.73 CC/C=C\CCSC(C)CC(=O)OCC 62a_100009817359_100015370543 [0,2,0,0,0,0|1,0,1]=4 4847 B14R0.73 CC/C=C\CCSC(C)CC(=O)OCC 62a_100015370543_100009817359 [0,2,0,0,0,0|1,0,1]=4 4848 B14R0.73 CC/C=C\COC[C@@H](O)CC(=O)OCC 34a_100016268518_100000688340 [0,2,0,0,0,0|0,0,1]=3 4849 B14R0.73 CC/C=C\CSC[C@@H](O)CC(=O)OCC 62a_100000688340_100103147603 [0,2,0,0,0,0|0,0,1]=3 4850 B14R0.73 CC/C=C\CSC[C@@H](O)CC(=O)OCC 62a_100103147603_100000688340 [0,2,0,0,0,0|0,0,1]=3 4851 B14R0.73 CCC#CCCOC(C)CC(=O)OCC 7a_100000036655_100009817359 [0,2,0,0,0,0|1,0,1]=4 4852 B14R0.73 CCC#CCOC[C@@H](O)CC(=O)OCC 34a_100000032950_100000688340 [0,2,0,0,0,0|0,0,1]=3 4853 B14R0.73 CCC#CCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100009813939 [0,2,0,0,0,0|0,0,1]=3 4854 B14R0.73 CCC#CCSC[C@@H](O)CC(=O)OCC 62a_100009813939_100000688340 [0,2,0,0,0,0|0,0,1]=3 4855 B14R0.73 CCC/C=C/COC(C)CC(=O)OCC 7a_100016278788_100009817359 [0,2,0,0,0,0|1,0,1]=4 4856 B14R0.73 CCCC#CCOC(C)CC(=O)OCC 7a_100000034806_100009817359 [0,2,0,0,0,0|1,0,1]=4 4857 B14R0.73 CCCC/C=C/CC(=O)CC(=O)OCC 1458a_200016282684_100000188475 [0,2,0,0,0,0|0,0,2]=4 4858 B14R0.73 CCCCCC#CC(=O)CC(=O)OCC 1458a_100011215388_100000188475 [0,2,0,0,0,0|0,0,2]=4 4859 B14R0.73 CCCCCC=CC(=O)CC(=O)OCC 1458a_100016263427_100000188475 [0,2,0,0,0,0|0,0,2]=4 4860 B14R0.73 CCCCCCCC(=O)CC(=O)OCC 1458a_100000211969_100000188475 [0,2,0,0,0,0|0,0,2]=4 4861 B14R0.73 CCCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210614 [0,2,0,0,0,0|0,0,2]=4 4862 B14R0.73 CCCCCCCC(O)CC(=O)CCC 1458a_200011667753_100000210303 [0,2,0,0,0,0|1,0,0]=3 4863 B14R0.73 CCCCCCCC(O)CC(=O)CCF 1458a_200011667753_100011217306 [0,2,0,0,0,0|2,0,0]=4 4864 B14R0.73 CCCCCCCC(O)CC(=O)CCO 1458a_200011667753_100000211926 [0,2,0,0,0,0|2,0,0]=4 4865 B14R0.73 CCCCCCCC(O)CC(=O)NCC 240690a_100015525214_200011667753 [0,2,0,0,0,0|1,0,0]=3 4866 B14R0.73 CCCCCCCC(O)CC(=O)NNC 22a_100016993582_200011667753 [0,2,0,0,0,0|2,0,0]=4 4867 B14R0.73 CCCCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210681 [0,2,0,0,0,0|2,0,0]=4 4868 B14R0.73 CCCCCCCN(C)CC(=O)OCC 2230a_100000228206_100000188475 [0,2,0,0,0,0|2,0,0]=4 4869 B14R0.73 CCCCCCCN(C)CC(=O)OCC 269982a_100000228206_100000188475 [0,2,0,0,0,0|2,0,0]=4 4870 B14R0.73 CCCCCCNC(=O)CC(=O)OCC 240690a_100000210581_100000243816 [0,2,0,0,0,0|0,0,2]=4 4871 B14R0.73 CCCCCCNC(C)CC(=O)OCC 2230a_100000210581_100009817359 [0,2,0,0,0,0|1,0,0]=3 4872 B14R0.73 CCCCCCOC(C)CC(=O)OCC 7a_100000210259_100009817359 [0,2,0,0,0,0|1,0,0]=3 4873 B14R0.73 CCCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210314 [0,2,0,0,0,0|1,0,0]=3 4874 B14R0.73 CCCCCCSC(C)CC(=O)OCC 62a_100000210314_100009817359 [0,2,0,0,0,0|1,0,0]=3 4875 B14R0.73 CCCCCCSC(C)CC(=O)OCC 62a_100009817359_100000210757 [0,2,0,0,0,0|1,0,0]=3 4876 B14R0.73 CCCCCCSC(C)OC(=O)OCC 62a_100000036008_100000210757 [0,2,0,0,0,0|2,0,0]=4 4877 B14R0.73 CCCCCCSC(C)OC(=O)OCC 62a_100000210314_100000036008 [0,2,0,0,0,0|2,0,0]=4 4878 B14R0.73 CCCCCNNC(=O)CC(=O)OCC 22a_100000694160_100000243816 [0,2,0,0,0,0|0,0,2]=4 4879 B14R0.73 CCCCCOC[C@@H](O)CC(=O)OCC 34a_100000210253_100000688340 [0,2,0,0,0,0|0,0,0]=2 4880 B14R0.73 CCCCCOC[C@@H](O)CC(=O)OCC 7a_100000210253_100000688340 [0,2,0,0,0,0|0,0,0]=2 4881 B14R0.73 CCCCCSCC(=O)CC(=O)OCC 62a_100000210311_100000210326 [0,2,0,0,0,0|0,0,2]=4 4882 B14R0.73 CCCCCSCC(=O)CC(=O)OCC 62a_100000210326_100000210311 [0,2,0,0,0,0|0,0,2]=4 4883 B14R0.73 CCCCCSC[C@@H](O)CC(=O)OCC 62a_100000210326_100000688340 [0,2,0,0,0,0|0,0,0]=2 4884 B14R0.73 CCCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210326 [0,2,0,0,0,0|0,0,0]=2 4885 B14R0.73 CCCCOCCC(=O)CC(=O)OCC 1458a_100000243816_100000743108 [0,2,0,0,0,0|0,0,2]=4 4886 B14R0.73 CCCCOCCN(C)CC(=O)OCC 2230a_100000220588_100000743108 [0,2,0,0,0,0|2,0,0]=4 4887 B14R0.73 CCCCOCSC(C)CC(=O)OCC 62a_100009817359_100011995733 [0,2,0,0,0,0|1,0,0]=3 4888 B14R0.73 CCCCOCSC(C)CC(=O)OCC 62a_100011995733_100009817359 [0,2,0,0,0,0|1,0,0]=3 4889 B14R0.73 CCCCOCSC(C)OC(=O)OCC 62a_100000036008_100011995733 [0,2,0,0,0,0|2,0,0]=4 4890 B14R0.73 CCCCOCSC(C)OC(=O)OCC 62a_100011995733_100000036008 [0,2,0,0,0,0|2,0,0]=4 4891 B14R0.73 CCCOCCNC(=O)CC(=O)OCC 240690a_100161115042_100000243816 [0,2,0,0,0,0|0,0,2]=4 4892 B14R0.73 CCCOCCNC(C)CC(=O)OCC 2230a_100161115042_100009817359 [0,2,0,0,0,0|1,0,0]=3 4893 B14R0.73 CCCOCCOC(C)CC(=O)OCC 7a_100000752267_100009817359 [0,2,0,0,0,0|1,0,0]=3 4894 B14R0.73 CCCOCCO[C@H](C)CC(=O)OCC 7a_100009816390_100011215938 [0,2,0,0,0,0|1,0,0]=3 4895 B14R0.73 CCCOCCSC(C)CC(=O)OCC 62a_100009817359_100011215938 [0,2,0,0,0,0|1,0,0]=3 4896 B14R0.73 CCCOCCSC(C)CC(=O)OCC 62a_100011215938_100009817359 [0,2,0,0,0,0|1,0,0]=3 4897 B14R0.73 CCCOCCSC(C)OC(=O)OCC 62a_100000036008_100011215938 [0,2,0,0,0,0|2,0,0]=4 4898 B14R0.73 CCCOCCSC(C)OC(=O)OCC 62a_100011215938_100000036008 [0,2,0,0,0,0|2,0,0]=4 4899 B14R0.73 CCCSCCNC(=O)CC(=O)OCC 240690a_100020603323_100000243816 [0,2,0,0,0,0|0,0,2]=4 4900 B14R0.73 CCCSCCNC(C)CC(=O)OCC 2230a_100020603323_100009817359 [0,2,0,0,0,0|1,0,0]=3 4901 B14R0.73 CCCSCCOC(C)CC(=O)OCC 7a_200000230433_100009817359 [0,2,0,0,0,0|1,0,0]=3 4902 B14R0.73 CCOC(=O)CC(=O)CCCCCC#N 1458a_100000243816_100009813376 [0,2,0,0,0,0|0,0,2]=4 4903 B14R0.73 CCOC(=O)CC(=O)CCCCCCF 1458a_100000243816_100015922095 [0,2,0,0,0,0|0,0,2]=4 4904 B14R0.73 CCOC(=O)CC(=O)CCCCCCO 1458a_100000243816_100000766143 [0,2,0,0,0,0|0,0,2]=4 4905 B14R0.73 CCOC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000188475 [0,2,0,0,0,0|0,0,2]=4 4906 B14R0.73 CCOC(=O)CC(=O)CCCCCOC 1458a_100011935119_100000188475 [0,2,0,0,0,0|0,0,2]=4 4907 B14R0.73 CCOC(=O)CC(=O)CCOCCOC 1458a_100000243816_100000695917 [0,2,0,0,0,0|0,0,2]=4 4908 B14R0.73 CCOC(=O)CC(=O)CCOCCOC 1458a_100000745395_100000188475 [0,2,0,0,0,0|0,0,2]=4 4909 B14R0.73 CCOC(=O)CC(=O)CSCCCCF 62a_100000210311_100000729493 [0,2,0,0,0,0|0,0,2]=4 4910 B14R0.73 CCOC(=O)CC(=O)CSCCCCF 62a_100000729493_100000210311 [0,2,0,0,0,0|0,0,2]=4 4911 B14R0.73 CCOC(=O)CC(=O)CSCCCCO 62a_100000210311_100000210776 [0,2,0,0,0,0|0,0,2]=4 4912 B14R0.73 CCOC(=O)CC(=O)CSCCCCO 62a_100000210776_100000210311 [0,2,0,0,0,0|0,0,2]=4 4913 B14R0.73 CCOC(=O)CC(=O)CSCCCOC 62a_100000210311_100000709357 [0,2,0,0,0,0|0,0,2]=4 4914 B14R0.73 CCOC(=O)CC(=O)CSCCCOC 62a_100000709357_100000210311 [0,2,0,0,0,0|0,0,2]=4 4915 B14R0.73 CCOC(=O)CC(=O)CSCCSCC 62a_100000210311_100000757381 [0,2,0,0,0,0|0,0,2]=4 4916 B14R0.73 CCOC(=O)CC(=O)CSCCSCC 62a_100000757381_100000210311 [0,2,0,0,0,0|0,0,2]=4 4917 B14R0.73 CCOC(=O)CC(=O)NCCCCCO 240690a_100000762737_100000243816 [0,2,0,0,0,0|0,0,2]=4 4918 B14R0.73 CCOC(=O)CC(C)NCCCCCO 2230a_100000762737_100009817359 [0,2,0,0,0,0|1,0,0]=3 4919 B14R0.73 CCOC(=O)CC(C)NCCOCCO 2230a_100000211614_100009817359 [0,2,0,0,0,0|2,0,0]=4 4920 B14R0.73 CCOC(=O)CC(C)NCCSCCO 2230a_100011219999_100009817359 [0,2,0,0,0,0|2,0,0]=4 4921 B14R0.73 CCOC(=O)CC(C)OCCCCCBr 7a_100000746331_100009817359 [0,2,0,0,0,0|1,0,0]=3 4922 B14R0.73 CCOC(=O)CC(C)OCCCCCCl 7a_100000746330_100009817359 [0,2,0,0,0,0|1,0,0]=3 4923 B14R0.73 CCOC(=O)CC(C)OCCCCCI 7a_200012148887_100009817359 [0,2,0,0,0,0|1,0,0]=3 4924 B14R0.73 CCOC(=O)CC(C)OCCCCSC 7a_100011217163_100009817359 [0,2,0,0,0,0|1,0,0]=3 4925 B14R0.73 CCOC(=O)CC(C)OCCCSCC 7a_100011216438_100009817359 [0,2,0,0,0,0|1,0,0]=3 4926 B14R0.73 CCOC(=O)CC(C)OCCOCCBr 7a_100000692535_100009817359 [0,2,0,0,0,0|2,0,0]=4 4927 B14R0.73 CCOC(=O)CC(C)OCCOCCCl 7a_100011215305_100009817359 [0,2,0,0,0,0|2,0,0]=4 4928 B14R0.73 CCOC(=O)CC(C)OCCOCCF 7a_200015357709_100009817359 [0,2,0,0,0,0|2,0,0]=4 4929 B14R0.73 CCOC(=O)CC(C)OCCOCCI 7a_100012149058_100009817359 [0,2,0,0,0,0|2,0,0]=4 4930 B14R0.73 CCOC(=O)CC(C)SCCCCC#N 62a_100009817359_100000211819 [0,2,0,0,0,0|1,0,1]=4 4931 B14R0.73 CCOC(=O)CC(C)SCCCCC#N 62a_100011219923_100009817359 [0,2,0,0,0,0|1,0,1]=4 4932 B14R0.73 CCOC(=O)CC(C)SCCCCC=O 62a_100000139335_100009817359 [0,2,0,0,0,0|1,0,1]=4 4933 B14R0.73 CCOC(=O)CC(C)SCCCCC=O 62a_100009817359_100000139335 [0,2,0,0,0,0|1,0,1]=4 4934 B14R0.73 CCOC(=O)CC(C)SCCCCCF 62a_100000729378_100009817359 [0,2,0,0,0,0|1,0,0]=3 4935 B14R0.73 CCOC(=O)CC(C)SCCCCCF 62a_100009817359_100000729378 [0,2,0,0,0,0|1,0,0]=3 4936 B14R0.73 CCOC(=O)CC(C)SCCCCCO 62a_100000746330_100009817359 [0,2,0,0,0,0|1,0,0]=3 4937 B14R0.73 CCOC(=O)CC(C)SCCCCCO 62a_100009817359_100000746330 [0,2,0,0,0,0|1,0,0]=3 4938 B14R0.73 CCOC(=O)CC(C)SCCCCOC 62a_100000730899_100009817359 [0,2,0,0,0,0|1,0,0]=3 4939 B14R0.73 CCOC(=O)CC(C)SCCCCOC 62a_100009817359_100000730899 [0,2,0,0,0,0|1,0,0]=3 4940 B14R0.73 CCOC(=O)CC(C)SCCOCCO 62a_100009817359_100011215305 [0,2,0,0,0,0|2,0,0]=4 4941 B14R0.73 CCOC(=O)CC(C)SCCOCCO 62a_100011215305_100009817359 [0,2,0,0,0,0|2,0,0]=4 4942 B14R0.73 CCOC(=O)CC(C)SCOCCOC 62a_100000231047_100009817359 [0,2,0,0,0,0|2,0,0]=4 4943 B14R0.73 CCOC(=O)CC(C)SCOCCOC 62a_100009817359_100000231047 [0,2,0,0,0,0|2,0,0]=4 4944 B14R0.73 CCOC(=O)CN(C)CCCCCC#N 2230a_100000220588_100009813376 [0,2,0,0,0,0|2,0,0]=4 4945 B14R0.73 CCOC(=O)CN(C)CCCCCC=O 2230a_100000220588_100000139337 [0,2,0,0,0,0|2,0,0]=4 4946 B14R0.73 CCOC(=O)CN(C)CCCCCCF 2230a_100000220588_100015922095 [0,2,0,0,0,0|2,0,0]=4 4947 B14R0.73 CCOC(=O)CN(C)CCCCCCO 2230a_100000220588_100000766143 [0,2,0,0,0,0|2,0,0]=4 4948 B14R0.73 CCOC(=O)CN(C)CCOCCOC 2230a_100000220588_100000695917 [0,2,0,0,0,0|2,0,0]=4 4949 B14R0.73 CCOC(=O)C[C@@H](C)OCCCCC#N 7a_100009816390_100000211819 [0,2,0,0,0,0|1,0,1]=4 4950 B14R0.73 CCOC(=O)C[C@@H](C)OCCCCC=O 7a_100009816390_100000139335 [0,2,0,0,0,0|1,0,1]=4 4951 B14R0.73 CCOC(=O)C[C@@H](C)OCCCCCF 7a_100009816390_100000729378 [0,2,0,0,0,0|1,0,0]=3 4952 B14R0.73 CCOC(=O)C[C@@H](C)OCCCCCO 7a_100009816390_100000746330 [0,2,0,0,0,0|1,0,0]=3 4953 B14R0.73 CCOC(=O)C[C@@H](C)OCCCCOC 7a_100009816390_100000730899 [0,2,0,0,0,0|1,0,0]=3 4954 B14R0.73 CCOC(=O)C[C@@H](C)OCCOCCO 7a_100009816390_100011215305 [0,2,0,0,0,0|2,0,0]=4 4955 B14R0.73 CCOC(=O)C[C@H](O)CNCCCCO 34a_100000750430_100000688340 [0,2,0,0,0,0|0,0,0]=2 4956 B14R0.73 CCOC(=O)C[C@H](O)CNCCCOC 34a_100150723488_100000688340 [0,2,0,0,0,0|0,0,0]=2 4957 B14R0.73 CCOC(=O)C[C@H](O)COCC#CCCl 34a_200000047223_100000688340 [0,2,0,0,0,0|0,0,2]=4 4958 B14R0.73 CCOC(=O)C[C@H](O)COCCCCBr 34a_100011216708_100000688340 [0,2,0,0,0,0|0,0,0]=2 4959 B14R0.73 CCOC(=O)C[C@H](O)COCCCCCl 34a_100000210776_100000688340 [0,2,0,0,0,0|0,0,0]=2 4960 B14R0.73 CCOC(=O)C[C@H](O)COCCCCCl 7a_100000210776_100000688340 [0,2,0,0,0,0|0,0,0]=2 4961 B14R0.73 CCOC(=O)C[C@H](O)COCCCCF 34a_100011995726_100000688340 [0,2,0,0,0,0|0,0,0]=2 4962 B14R0.73 CCOC(=O)C[C@H](O)COCCCCF 7a_100011995726_100000688340 [0,2,0,0,0,0|0,0,0]=2 4963 B14R0.73 CCOC(=O)C[C@H](O)COCCCCI 34a_200012148704_100000688340 [0,2,0,0,0,0|0,0,0]=2 4964 B14R0.73 CCOC(=O)C[C@H](O)COCCCCN 34a_100000750430_100000688340 [0,2,0,0,0,0|0,0,0]=2 4965 B14R0.73 CCOC(=O)C[C@H](O)COCCCNC 34a_100000213112_100000688340 [0,2,0,0,0,0|0,0,0]=2 4966 B14R0.73 CCOC(=O)C[C@H](O)COCCCOC 34a_100000740835_100000688340 [0,2,0,0,0,0|0,0,0]=2 4967 B14R0.73 CCOC(=O)C[C@H](O)COCCCSC 34a_100000690336_100000688340 [0,2,0,0,0,0|0,0,0]=2 4968 B14R0.73 CCOC(=O)C[C@H](O)COCCCSC 7a_100000690336_100000688340 [0,2,0,0,0,0|0,0,0]=2 4969 B14R0.73 CCOC(=O)C[C@H](O)COCCSCC 34a_100000212035_100000688340 [0,2,0,0,0,0|0,0,0]=2 4970 B14R0.73 CCOC(=O)C[C@H](O)COCCSCC 7a_100000212035_100000688340 [0,2,0,0,0,0|0,0,0]=2 4971 B14R0.73 CCOC(=O)C[C@H](O)CSCC#CCO 62a_100000688340_200000047223 [0,2,0,0,0,0|0,0,2]=4 4972 B14R0.73 CCOC(=O)C[C@H](O)CSCC#CCO 62a_200000047223_100000688340 [0,2,0,0,0,0|0,0,2]=4 4973 B14R0.73 CCOC(=O)C[C@H](O)CSCCCC#N 62a_100000687738_100000688340 [0,2,0,0,0,0|0,0,1]=3 4974 B14R0.73 CCOC(=O)C[C@H](O)CSCCCC#N 62a_100000688340_100000687738 [0,2,0,0,0,0|0,0,1]=3 4975 B14R0.73 CCOC(=O)C[C@H](O)CSCCCC=O 62a_100000688340_200011292268 [0,2,0,0,0,0|0,0,1]=3 4976 B14R0.73 CCOC(=O)C[C@H](O)CSCCCC=O 62a_200011292268_100000688340 [0,2,0,0,0,0|0,0,1]=3 4977 B14R0.73 CCOC(=O)C[C@H](O)CSCCCCF 62a_100000688340_100000729493 [0,2,0,0,0,0|0,0,0]=2 4978 B14R0.73 CCOC(=O)C[C@H](O)CSCCCCF 62a_100000729493_100000688340 [0,2,0,0,0,0|0,0,0]=2 4979 B14R0.73 CCOC(=O)C[C@H](O)CSCCCCO 62a_100000210776_100000688340 [0,2,0,0,0,0|0,0,0]=2 4980 B14R0.73 CCOC(=O)C[C@H](O)CSCCCCO 62a_100000688340_100000210776 [0,2,0,0,0,0|0,0,0]=2 4981 B14R0.73 CCOC(=O)C[C@H](O)CSCCCOC 62a_100000688340_100000709357 [0,2,0,0,0,0|0,0,0]=2 4982 B14R0.73 CCOC(=O)C[C@H](O)CSCCCOC 62a_100000709357_100000688340 [0,2,0,0,0,0|0,0,0]=2 4983 B14R0.73 CCOC(=O)C[C@H](O)CSCCSC#N 62a_100000034367_100000688340 [0,2,0,0,0,0|1,0,1]=4 4984 B14R0.73 CCOC(=O)C[C@H](O)CSCCSC#N 62a_100000688340_100000034367 [0,2,0,0,0,0|1,0,1]=4 4985 B14R0.73 CCOC(=O)C[C@H](O)CSCCSCC 62a_100000688340_100000757381 [0,2,0,0,0,0|0,0,0]=2 4986 B14R0.73 CCOC(=O)C[C@H](O)CSCCSCC 62a_100000757381_100000688340 [0,2,0,0,0,0|0,0,0]=2 4987 B14R0.73 CCOC(=O)OC(C)SCCCCCF 62a_100000036008_100000729378 [0,2,0,0,0,0|2,0,0]=4 4988 B14R0.73 CCOC(=O)OC(C)SCCCCCF 62a_100000729378_100000036008 [0,2,0,0,0,0|2,0,0]=4 4989 B14R0.73 CCOC(=O)OC(C)SCCCCCO 62a_100000036008_100000746330 [0,2,0,0,0,0|2,0,0]=4 4990 B14R0.73 CCOC(=O)OC(C)SCCCCCO 62a_100000746330_100000036008 [0,2,0,0,0,0|2,0,0]=4 4991 B14R0.73 CCOC(=O)OC(C)SCCCCOC 62a_100000036008_100000730899 [0,2,0,0,0,0|2,0,0]=4 4992 B14R0.73 CCOC(=O)OC(C)SCCCCOC 62a_100000730899_100000036008 [0,2,0,0,0,0|2,0,0]=4 4993 B14R0.73 CCOCCCNC(=O)CC(=O)OCC 240690a_100000210961_100000243816 [0,2,0,0,0,0|0,0,2]=4 4994 B14R0.73 CCOCCCNC(C)CC(=O)OCC 2230a_100000210961_100009817359 [0,2,0,0,0,0|1,0,0]=3 4995 B14R0.73 CCOCCCOC(C)CC(=O)OCC 7a_100000757476_100009817359 [0,2,0,0,0,0|1,0,0]=3 4996 B14R0.73 CCOCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100012232248 [0,2,0,0,0,0|1,0,0]=3 4997 B14R0.73 CCOCCCSC(C)CC(=O)OCC 62a_100009817359_100012232248 [0,2,0,0,0,0|1,0,0]=3 4998 B14R0.73 CCOCCCSC(C)CC(=O)OCC 62a_100012232248_100009817359 [0,2,0,0,0,0|1,0,0]=3 4999 B14R0.73 CCOCCCSC(C)OC(=O)OCC 62a_100000036008_100012232248 [0,2,0,0,0,0|2,0,0]=4 5000 B14R0.73 CCOCCCSC(C)OC(=O)OCC 62a_100012232248_100000036008 [0,2,0,0,0,0|2,0,0]=4 5001 B14R0.73 CCOCCNC[C@@H](O)CC(=O)OCC 34a_102516460346_100000688340 [0,2,0,0,0,0|0,0,0]=2 5002 B14R0.73 CCOCCOC[C@@H](O)CC(=O)OCC 34a_100000210136_100000688340 [0,2,0,0,0,0|0,0,0]=2 5003 B14R0.73 CCOCCOC[C@@H](O)CC(=O)OCC 7a_100000210136_100000688340 [0,2,0,0,0,0|0,0,0]=2 5004 B14R0.73 CCOCCSCC(=O)CC(=O)OCC 62a_100000210147_100000210311 [0,2,0,0,0,0|0,0,2]=4 5005 B14R0.73 CCOCCSCC(=O)CC(=O)OCC 62a_100000210311_100011215890 [0,2,0,0,0,0|0,0,2]=4 5006 B14R0.73 CCOCCSC[C@@H](O)CC(=O)OCC 62a_100000210147_100000688340 [0,2,0,0,0,0|0,0,0]=2 5007 B14R0.73 CCOCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100011215890 [0,2,0,0,0,0|0,0,0]=2 5008 B14R0.389 CC(C)OC(=O)CC(=O)CCCCCO 1458a_100102619762_100011215430 [0,2,0,0,0,0|0,0,2]=4 5009 B14R0.389 CC(C)OC(=O)CN(C)CCCCCO 2230a_100000722520_100011215430 [0,2,0,0,0,0|2,0,0]=4 5010 B14R0.389 CC(C)OC(=O)CN(C)CCCCCO 269982a_100000722520_100011215430 [0,2,0,0,0,0|2,0,0]=4 5011 B14R0.389 CCCCCCC(=O)CC(=O)OC(C)C 1458a_100102632555_100011215430 [0,2,0,0,0,0|0,0,2]=4 5012 B14R0.389 CCCCCCN(C)CC(=O)OC(C)C 2230a_106256046315_100011215430 [0,2,0,0,0,0|2,0,0]=4 5013 B14R0.389 CCCCCCN(C)CC(=O)OC(C)C 269982a_106256046315_100011215430 [0,2,0,0,0,0|2,0,0]=4 5014 B14R0.389 CCCCCOC(C)OC(=O)OC(C)C 7a_100000210253_100000067433 [0,2,0,0,0,0|2,0,0]=4 5015 B14R0.389 CCCCCSC(C)OC(=O)OC(C)C 62a_100000067433_100000210326 [0,2,0,0,0,0|2,0,0]=4 5016 B14R0.389 CCCCCSC(C)OC(=O)OC(C)C 62a_100000210326_100000067433 [0,2,0,0,0,0|2,0,0]=4 5017 B14R0.389 CCCCOCC(=O)CC(=O)OC(C)C 1458a_100000757543_100011215430 [0,2,0,0,0,0|0,0,2]=4 5018 B14R0.389 CCCCSCC(=O)CC(=O)OC(C)C 1458a_100000191162_100011215430 [0,2,0,0,0,0|0,0,2]=4 5019 B14R0.955 CCCCCCN(CC)CC(=O)OCC 2230a_100000220607_100000210314 [0,2,0,0,0,0|2,0,0]=4 5020 B14R0.955 CCCCCCN(CC)CC(=O)OCC 269982a_100000220607_100000210757 [0,2,0,0,0,0|2,0,0]=4 5021 B14R0.955 CCCCCO[C@H](CCl)CC(=O)OCC 7a_100000688340_100000210326 [0,2,0,0,0,0|1,0,0]=3 5022 B14R0.955 CCCCOCN(CC)CC(=O)OCC 2230a_100000220607_100011995733 [0,2,0,0,0,0|2,0,0]=4 5023 B14R0.955 CCCCOCN(CC)CC(=O)OCC 269982a_100000220607_100011995733 [0,2,0,0,0,0|2,0,0]=4 5024 B14R0.955 CCCOCCN(CC)CC(=O)OCC 2230a_100000220607_100011215938 [0,2,0,0,0,0|2,0,0]=4 5025 B14R0.955 CCCOCCN(CC)CC(=O)OCC 269982a_100000220607_100011215938 [0,2,0,0,0,0|2,0,0]=4 5026 B14R0.955 CCOC(=O)CN(CC)CCCCCF 2230a_100000220607_100000729378 [0,2,0,0,0,0|2,0,0]=4 5027 B14R0.955 CCOC(=O)CN(CC)CCCCCF 269982a_100000220607_100000729378 [0,2,0,0,0,0|2,0,0]=4 5028 B14R0.955 CCOC(=O)CN(CC)CCCCCO 2230a_100000220607_100000746330 [0,2,0,0,0,0|2,0,0]=4 5029 B14R0.955 CCOC(=O)CN(CC)CCCCCO 269982a_100000220607_100000746330 [0,2,0,0,0,0|2,0,0]=4 5030 B14R0.955 CCOC(=O)CN(CC)CCCCOC 2230a_100000220607_100000730899 [0,2,0,0,0,0|2,0,0]=4 5031 B14R0.955 CCOC(=O)CN(CC)CCCCOC 269982a_100000220607_100000730899 [0,2,0,0,0,0|2,0,0]=4 5032 B14R0.955 CCOC(=O)C[C@@H](CCl)OCCCCF 7a_100000688340_100000729493 [0,2,0,0,0,0|2,0,0]=4 5033 B14R0.955 CCOC(=O)C[C@@H](CCl)OCCCCO 7a_100000688340_100000210776 [0,2,0,0,0,0|2,0,0]=4 5034 B14R0.955 CCOC(=O)C[C@@H](CCl)OCCCOC 7a_100000688340_100000740836 [0,2,0,0,0,0|2,0,0]=4 5035 B14R0.955 CCOC(=O)C[C@@H](CCl)OCCSCC 7a_100000688340_100000757381 [0,2,0,0,0,0|2,0,0]=4 5036 B14R0.955 CCOCCCN(CC)CC(=O)OCC 2230a_100000220607_100012232248 [0,2,0,0,0,0|2,0,0]=4 5037 B14R0.955 CCOCCCN(CC)CC(=O)OCC 269982a_100000220607_100012232248 [0,2,0,0,0,0|2,0,0]=4 5038 B14R0.955 CCOCCO[C@H](CCl)CC(=O)OCC 7a_100000688340_100011215890 [0,2,0,0,0,0|2,0,0]=4 5039 B14R0.1824 CCCCCNS(=O)(=O)CC(=O)OCC 270084a_100000209983_100000738689 [0,2,0,0,0,0|1,0,1]=4 5040 B14R0.1824 CCCCCNS(=O)(=O)CC(=O)OCC 274078a_100000209983_100000738689 [0,2,0,0,0,0|1,0,1]=4 5041 B14R0.1824 CCCCCOC(C)(C)CC(=O)OCC 7a_100000765344_100000210326 [0,2,0,0,0,0|1,0,0]=3 5042 B14R0.1824 CCOC(=O)CC(C)(C)OCCCCF 7a_100000765344_100000729493 [0,2,0,0,0,0|2,0,0]=4 5043 B14R0.1824 CCOC(=O)CC(C)(C)OCCCCO 7a_100000765344_100000210776 [0,2,0,0,0,0|2,0,0]=4 5044 B14R0.1824 CCOC(=O)CC(C)(C)OCCCOC 7a_100000765344_100000740836 [0,2,0,0,0,0|2,0,0]=4 5045 B14R0.1824 CCOC(=O)CC(C)(C)OCCSCC 7a_100000765344_100000757381 [0,2,0,0,0,0|2,0,0]=4 5046 B14R0.1824 CCOCCOC(C)(C)CC(=O)OCC 7a_100000765344_100011215890 [0,2,0,0,0,0|2,0,0]=4 5047 B14R0.2225 CCCCCCC(=O)C(C)C(=O)OCC 1458a_100102632555_100011216346 [0,2,0,0,0,0|0,0,2]=4 5048 B14R0.2225 CCCCCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000210757 [0,2,0,0,0,0|0,0,2]=4 5049 B14R0.2225 CCCCCCC(=O)C(F)C(=O)OCC 1458a_100102632555_100000760018 [0,2,0,0,0,0|0,0,2]=4 5050 B14R0.2225 CCCCCCN(C)C(C)C(=O)OCC 2230a_106256046315_100011215307 [0,2,0,0,0,0|2,0,0]=4 5051 B14R0.2225 CCCCCCN(C)C(C)C(=O)OCC 269982a_106256046315_100011216346 [0,2,0,0,0,0|2,0,0]=4 5052 B14R0.2225 CCCCCCN(C)C(F)C(=O)OCC 2230a_106256046315_100000760018 [0,2,0,0,0,0|2,0,0]=4 5053 B14R0.2225 CCCCCCN(C)C(F)C(=O)OCC 269982a_106256046315_100000760018 [0,2,0,0,0,0|2,0,0]=4 5054 B14R0.2225 CCCCCNC(=O)C(C)C(=O)OCC 11a_100000209983_100132301724 [0,2,0,0,0,0|0,0,2]=4 5055 B14R0.2225 CCCCCNC(=O)C(C)C(=O)OCC 1626a_100000209983_100132301724 [0,2,0,0,0,0|0,0,2]=4 5056 B14R0.2225 CCCCCNC(=O)C(C)C(=O)OCC 240690a_100000209983_100132301724 [0,2,0,0,0,0|0,0,2]=4 5057 B14R0.2225 CCCCCNC(=O)C(C)C(=O)OCC 527a_100000209983_100132301724 [0,2,0,0,0,0|0,0,2]=4 5058 B14R0.2225 CCCCCNC(C)C(=O)C(=O)OCC 2230a_100000209983_100010256902 [0,2,0,0,0,0|1,0,1]=4 5059 B14R0.2225 CCCCCSC(C)C(=O)C(=O)OCC 62a_100000210326_100010256902 [0,2,0,0,0,0|1,0,1]=4 5060 B14R0.2225 CCCCCSC(C)C(=O)C(=O)OCC 62a_100010256902_100000210326 [0,2,0,0,0,0|1,0,1]=4 5061 B14R0.2225 CCCCOCC(=O)C(C)C(=O)OCC 1458a_100000757543_100011216346 [0,2,0,0,0,0|0,0,2]=4 5062 B14R0.2225 CCCCOCC(=O)C(C)C(=O)OCC 1458a_100132301724_100011995733 [0,2,0,0,0,0|0,0,2]=4 5063 B14R0.2225 CCCCOCC(=O)C(F)C(=O)OCC 1458a_100000757543_100000760018 [0,2,0,0,0,0|0,0,2]=4 5064 B14R0.2225 CCCCSCC(=O)C(C)C(=O)OCC 1458a_100000191162_100011216346 [0,2,0,0,0,0|0,0,2]=4 5065 B14R0.2225 CCCCSCC(=O)C(F)C(=O)OCC 1458a_100000191162_100000760018 [0,2,0,0,0,0|0,0,2]=4 5066 B14R0.2225 CCCOCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100011215938 [0,2,0,0,0,0|0,0,2]=4 5067 B14R0.2225 CCOC(=O)C(C)C(=O)CCCCCF 1458a_100132301724_100000729378 [0,2,0,0,0,0|0,0,2]=4 5068 B14R0.2225 CCOC(=O)C(C)C(=O)CCCCCO 1458a_100102619762_100011216346 [0,2,0,0,0,0|0,0,2]=4 5069 B14R0.2225 CCOC(=O)C(C)C(=O)CCCCCO 1458a_100132301724_100000746330 [0,2,0,0,0,0|0,0,2]=4 5070 B14R0.2225 CCOC(=O)C(C)C(=O)CCCCOC 1458a_100132301724_100000755781 [0,2,0,0,0,0|0,0,2]=4 5071 B14R0.2225 CCOC(=O)C(C)N(C)CCCCCO 2230a_100000722520_100011215307 [0,2,0,0,0,0|2,0,0]=4 5072 B14R0.2225 CCOC(=O)C(C)N(C)CCCCCO 269982a_100000722520_100011216346 [0,2,0,0,0,0|2,0,0]=4 5073 B14R0.2225 CCOC(=O)C(F)C(=O)CCCCCO 1458a_100102619762_100000760018 [0,2,0,0,0,0|0,0,2]=4 5074 B14R0.2225 CCOC(=O)C(F)N(C)CCCCCO 2230a_100000722520_100000760018 [0,2,0,0,0,0|2,0,0]=4 5075 B14R0.2225 CCOC(=O)C(F)N(C)CCCCCO 269982a_100000722520_100000760018 [0,2,0,0,0,0|2,0,0]=4 5076 B14R0.2225 CCOCCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100012232248 [0,2,0,0,0,0|0,0,2]=4 5077 B14R0.2861 C=CC(C)COC[C@@H](O)CC(=O)OCC 34a_100011215527_100000688340 [0,2,0,0,0,0|1,0,0]=3 5078 B14R0.2861 C=CC(C)COC[C@@H](O)CC(=O)OCC 7a_100011215527_100000688340 [0,2,0,0,0,0|1,0,0]=3 5079 B14R0.2861 C=CC(O)CSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000730141 [0,2,0,0,0,0|0,0,2]=4 5080 B14R0.2861 C=CC(O)CSC[C@@H](O)CC(=O)OCC 62a_100000730141_100000688340 [0,2,0,0,0,0|0,0,2]=4 5081 B14R0.2861 C=C[C@H](N)COC[C@@H](O)CC(=O)OCC 34a_100016989147_100000688340 [0,2,0,0,0,0|0,0,2]=4 5082 B14R0.2861 CCOC(=O)CC(=O)CCCN(C)CC 1458a_100000243816_100015186262 [0,2,0,0,0,0|0,0,2]=4 5083 B14R0.2861 CCOC(=O)CC(=O)CSCC(C)CC 62a_100000210311_100000748023 [0,2,0,0,0,0|0,0,2]=4 5084 B14R0.2861 CCOC(=O)CC(=O)CSCC(C)CC 62a_100000748023_100000210311 [0,2,0,0,0,0|0,0,2]=4 5085 B14R0.2861 CCOC(=O)CC(=O)CSCC(O)CC 62a_100000210311_100011218378 [0,2,0,0,0,0|0,0,2]=4 5086 B14R0.2861 CCOC(=O)CC(=O)CSCC(O)CC 62a_100011218378_100000210311 [0,2,0,0,0,0|0,0,2]=4 5087 B14R0.2861 CCOC(=O)CC(=O)CSC[C@@H](C)CC 62a_100000210311_100009816398 [0,2,0,0,0,0|0,0,2]=4 5088 B14R0.2861 CCOC(=O)CC(=O)CSC[C@@H](C)CC 62a_100009816398_100000210311 [0,2,0,0,0,0|0,0,2]=4 5089 B14R0.2861 CCOC(=O)CC(=O)NCCC(C)CC 240690a_100020591266_100000243816 [0,2,0,0,0,0|0,0,2]=4 5090 B14R0.2861 CCOC(=O)CC(C)NCCC(C)CC 2230a_100020591266_100009817359 [0,2,0,0,0,0|1,0,0]=3 5091 B14R0.2861 CCOC(=O)CC(C)NCCC(C)CO 2230a_106354213184_100009817359 [0,2,0,0,0,0|2,0,0]=4 5092 B14R0.2861 CCOC(=O)CC(C)OCCC(C)CC 7a_100011215188_100009817359 [0,2,0,0,0,0|1,0,0]=3 5093 B14R0.2861 CCOC(=O)CC(C)OCCC(C)OC 7a_100000764861_100009817359 [0,2,0,0,0,0|2,0,0]=4 5094 B14R0.2861 CCOC(=O)CN(C)CCCN(C)CC 2230a_100000220588_100015186262 [0,2,0,0,0,0|2,0,0]=4 5095 B14R0.2861 CCOC(=O)C[C@H](O)CCNC(=O)CC 188690a_200020634500_100000210414 [0,2,0,0,0,0|0,0,1]=3 5096 B14R0.2861 CCOC(=O)C[C@H](O)CCNC(=O)CO 188690a_200020634500_100000210174 [0,2,0,0,0,0|1,0,1]=4 5097 B14R0.2861 CCOC(=O)C[C@H](O)CNCC(C)CO 34a_100000744482_100000688340 [0,2,0,0,0,0|1,0,0]=3 5098 B14R0.2861 CCOC(=O)C[C@H](O)CNC[C@@H](F)CO 34a_100015665980_100000688340 [0,2,0,0,0,0|1,0,0]=3 5099 B14R0.2861 CCOC(=O)C[C@H](O)COCC(=O)CC 34a_100000725409_100000688340 [0,2,0,0,0,0|0,0,1]=3 5100 B14R0.2861 CCOC(=O)C[C@H](O)COCC(=O)NC 34a_100000750040_100000688340 [0,2,0,0,0,0|1,0,1]=4 5101 B14R0.2861 CCOC(=O)C[C@H](O)COCC(C)CN 34a_100000744482_100000688340 [0,2,0,0,0,0|1,0,0]=3 5102 B14R0.2861 CCOC(=O)C[C@H](O)COCC(C)OC 34a_100000690652_100000688340 [0,2,0,0,0,0|1,0,0]=3 5103 B14R0.2861 CCOC(=O)C[C@H](O)COCC(Cl)CCl 34a_100000033668_100000688340 [0,2,0,0,0,0|1,0,0]=3 5104 B14R0.2861 CCOC(=O)C[C@H](O)COC[C@@H](C)CC 7a_100009816381_100000688340 [0,2,0,0,0,0|0,0,0]=2 5105 B14R0.2861 CCOC(=O)C[C@H](O)COC[C@H](F)CN 34a_100015665980_100000688340 [0,2,0,0,0,0|1,0,0]=3 5106 B14R0.2861 CCOC(=O)C[C@H](O)CSCC(=O)CC 62a_100000688340_100000747405 [0,2,0,0,0,0|0,0,1]=3 5107 B14R0.2861 CCOC(=O)C[C@H](O)CSCC(=O)CC 62a_100000747405_100000688340 [0,2,0,0,0,0|0,0,1]=3 5108 B14R0.2861 CCOC(=O)C[C@H](O)CSCC(=O)NC 62a_100000183359_100000688340 [0,2,0,0,0,0|1,0,1]=4 5109 B14R0.2861 CCOC(=O)C[C@H](O)CSCC(=O)NC 62a_100000688340_100000183359 [0,2,0,0,0,0|1,0,1]=4 5110 B14R0.2861 CCOC(=O)C[C@H](O)CSCC(=O)OC 62a_100000688340_100000747449 [0,2,0,0,0,0|1,0,1]=4 5111 B14R0.2861 CCOC(=O)C[C@H](O)CSCC(=O)OC 62a_100000747449_100000688340 [0,2,0,0,0,0|1,0,1]=4 5112 B14R0.2861 CCOC(=O)C[C@H](O)CSCC(C)CC 62a_100000688340_100000748023 [0,2,0,0,0,0|0,0,0]=2 5113 B14R0.2861 CCOC(=O)C[C@H](O)CSCC(C)CC 62a_100000748023_100000688340 [0,2,0,0,0,0|0,0,0]=2 5114 B14R0.2861 CCOC(=O)C[C@H](O)CSCC(O)CC 62a_100000688340_100011218378 [0,2,0,0,0,0|0,0,0]=2 5115 B14R0.2861 CCOC(=O)C[C@H](O)CSCC(O)CC 62a_100011218378_100000688340 [0,2,0,0,0,0|0,0,0]=2 5116 B14R0.2861 CCOC(=O)C[C@H](O)CSCC(O)CO 62a_100000688340_100011219619 [0,2,0,0,0,0|1,0,0]=3 5117 B14R0.2861 CCOC(=O)C[C@H](O)CSCC(O)CO 62a_100011219619_100000688340 [0,2,0,0,0,0|1,0,0]=3 5118 B14R0.2861 CCOC(=O)C[C@H](O)CSC[C@@H](C)CC 62a_100000688340_100009816398 [0,2,0,0,0,0|0,0,0]=2 5119 B14R0.2861 CCOC(=O)C[C@H](O)CSC[C@@H](C)CC 62a_100009816398_100000688340 [0,2,0,0,0,0|0,0,0]=2 5120 B14R0.2861 CCOC(=O)C[C@H](O)CSC[C@@H](C)CO 62a_100000059175_100000688340 [0,2,0,0,0,0|1,0,0]=3 5121 B14R0.2861 CCOC(=O)C[C@H](O)CSC[C@@H](C)CO 62a_100000688340_100000059175 [0,2,0,0,0,0|1,0,0]=3 5122 B14R0.2861 CCOC(=O)C[C@H](O)CSC[C@@H](O)CF 62a_100000688340_100015614560 [0,2,0,0,0,0|1,0,0]=3 5123 B14R0.2861 CCOC(=O)C[C@H](O)CSC[C@@H](O)CF 62a_100015614560_100000688340 [0,2,0,0,0,0|1,0,0]=3 5124 B14R0.2861 CCOC(=O)C[C@H](O)CSC[C@@H](O)CO 62a_100000688340_100009815848 [0,2,0,0,0,0|1,0,0]=3 5125 B14R0.2861 CCOC(=O)C[C@H](O)CSC[C@@H](O)CO 62a_100009815848_100000688340 [0,2,0,0,0,0|1,0,0]=3 5126 B14R0.2863 C=C(Br)CCOC[C@@H](O)CC(=O)OCC 34a_100009813270_100000688340 [0,2,0,0,0,0|0,0,2]=4 5127 B14R0.2863 C=C(C)CCOC[C@@H](O)CC(=O)OCC 34a_100000764851_100000688340 [0,2,0,0,0,0|0,0,1]=3 5128 B14R0.2863 C=C(C)CCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000730704 [0,2,0,0,0,0|0,0,1]=3 5129 B14R0.2863 C=C(C)CCSC[C@@H](O)CC(=O)OCC 62a_100000730704_100000688340 [0,2,0,0,0,0|0,0,1]=3 5130 B14R0.2863 CCOC(=O)CC(=O)CCCCC(=O)C 1458a_100000243816_100000735457 [0,2,0,0,0,0|0,0,2]=4 5131 B14R0.2863 CCOC(=O)CC(=O)CCCCC(C)C 1458a_100000243816_100011216152 [0,2,0,0,0,0|0,0,2]=4 5132 B14R0.2863 CCOC(=O)CC(=O)CCCCC(C)C 1458a_100011933920_100000188475 [0,2,0,0,0,0|0,0,2]=4 5133 B14R0.2863 CCOC(=O)CC(=O)CSCCC(C)C 62a_100000210311_100000210312 [0,2,0,0,0,0|0,0,2]=4 5134 B14R0.2863 CCOC(=O)CC(=O)CSCCC(C)C 62a_100000210312_100000210311 [0,2,0,0,0,0|0,0,2]=4 5135 B14R0.2863 CCOC(=O)CC(=O)CSCCC(C)O 62a_100000210311_100012276601 [0,2,0,0,0,0|0,0,2]=4 5136 B14R0.2863 CCOC(=O)CC(=O)CSCCC(C)O 62a_100012276601_100000210311 [0,2,0,0,0,0|0,0,2]=4 5137 B14R0.2863 CCOC(=O)CC(=O)NCCCC(C)C 240690a_200000737386_100000243816 [0,2,0,0,0,0|0,0,2]=4 5138 B14R0.2863 CCOC(=O)CC(C)NCCCC(C)C 2230a_200000737386_100009817359 [0,2,0,0,0,0|1,0,0]=3 5139 B14R0.2863 CCOC(=O)CC(C)NCCCS(=O)C 2230a_200000753449_100009817359 [0,2,0,0,0,0|2,0,0]=4 5140 B14R0.2863 CCOC(=O)CC(C)NCCOC(C)C 2230a_100000701111_100009817359 [0,2,0,0,0,0|2,0,0]=4 5141 B14R0.2863 CCOC(=O)CC(C)NCCSC(C)C 2230a_100000731138_100009817359 [0,2,0,0,0,0|2,0,0]=4 5142 B14R0.2863 CCOC(=O)CC(C)OCCCC(=O)C 7a_100000759063_100009817359 [0,2,0,0,0,0|1,0,1]=4 5143 B14R0.2863 CCOC(=O)CC(C)OCCCC(C)C 7a_100000210774_100009817359 [0,2,0,0,0,0|1,0,0]=3 5144 B14R0.2863 CCOC(=O)CC(C)OCCOC(C)C 7a_100000211219_100009817359 [0,2,0,0,0,0|2,0,0]=4 5145 B14R0.2863 CCOC(=O)CC(C)OCCSC(C)C 7a_200011212901_100009817359 [0,2,0,0,0,0|2,0,0]=4 5146 B14R0.2863 CCOC(=O)CC(C)SCCCC(=O)C 62a_100009817359_100011215641 [0,2,0,0,0,0|1,0,1]=4 5147 B14R0.2863 CCOC(=O)CC(C)SCCCC(=O)C 62a_100011215641_100009817359 [0,2,0,0,0,0|1,0,1]=4 5148 B14R0.2863 CCOC(=O)CC(C)SCCCC(C)C 62a_100009817359_100011214892 [0,2,0,0,0,0|1,0,0]=3 5149 B14R0.2863 CCOC(=O)CC(C)SCCCC(C)C 62a_100011214892_100009817359 [0,2,0,0,0,0|1,0,0]=3 5150 B14R0.2863 CCOC(=O)CC(C)SCCCC(C)O 62a_100009817359_200000718107 [0,2,0,0,0,0|1,0,0]=3 5151 B14R0.2863 CCOC(=O)CC(C)SCCCC(C)O 62a_200000718107_100009817359 [0,2,0,0,0,0|1,0,0]=3 5152 B14R0.2863 CCOC(=O)CC(C)SCCCN(C)C 62a_100009817359_100000757444 [0,2,0,0,0,0|2,0,0]=4 5153 B14R0.2863 CCOC(=O)CC(C)SCCOC(C)C 62a_100000211751_100009817359 [0,2,0,0,0,0|2,0,0]=4 5154 B14R0.2863 CCOC(=O)CC(C)SCCOC(C)C 62a_100009817359_100000211751 [0,2,0,0,0,0|2,0,0]=4 5155 B14R0.2863 CCOC(=O)CC(C)SCCSC(C)C 62a_100000730970_100009817359 [0,2,0,0,0,0|2,0,0]=4 5156 B14R0.2863 CCOC(=O)CC(C)SCCSC(C)C 62a_100009817359_100000730970 [0,2,0,0,0,0|2,0,0]=4 5157 B14R0.2863 CCOC(=O)CN(C)CCCCC(C)C 2230a_100000220588_100011216152 [0,2,0,0,0,0|2,0,0]=4 5158 B14R0.2863 CCOC(=O)C[C@@H](C)OCCCC(=O)C 7a_100009816390_100011215641 [0,2,0,0,0,0|1,0,1]=4 5159 B14R0.2863 CCOC(=O)C[C@@H](C)OCCCC(C)C 7a_100009816390_100011214892 [0,2,0,0,0,0|1,0,0]=3 5160 B14R0.2863 CCOC(=O)C[C@@H](C)OCCCC(C)O 7a_100009816390_200000718107 [0,2,0,0,0,0|1,0,0]=3 5161 B14R0.2863 CCOC(=O)C[C@@H](C)OCCCN(C)C 7a_100009816390_100000757444 [0,2,0,0,0,0|2,0,0]=4 5162 B14R0.2863 CCOC(=O)C[C@@H](C)OCCOC(C)C 7a_100009816390_100000211751 [0,2,0,0,0,0|2,0,0]=4 5163 B14R0.2863 CCOC(=O)C[C@@H](C)OCCSC(C)C 7a_100009816390_100000730970 [0,2,0,0,0,0|2,0,0]=4 5164 B14R0.2863 CCOC(=O)C[C@H](O)CNCC=C(C)C 34a_100000718196_100000688340 [0,2,0,0,0,0|0,0,2]=4 5165 B14R0.2863 CCOC(=O)C[C@H](O)COCC=C(C)C 34a_100000753907_100000688340 [0,2,0,0,0,0|0,0,2]=4 5166 B14R0.2863 CCOC(=O)C[C@H](O)COCCC(=O)C 34a_100000759926_100000688340 [0,2,0,0,0,0|0,0,1]=3 5167 B14R0.2863 CCOC(=O)C[C@H](O)COCCC(=O)C 7a_100000759926_100000688340 [0,2,0,0,0,0|0,0,1]=3 5168 B14R0.2863 CCOC(=O)C[C@H](O)COCCC(=O)N 34a_100000757172_100000688340 [0,2,0,0,0,0|1,0,1]=4 5169 B14R0.2863 CCOC(=O)C[C@H](O)COCCC(=O)N 7a_100000757172_100000688340 [0,2,0,0,0,0|1,0,1]=4 5170 B14R0.2863 CCOC(=O)C[C@H](O)COCCC(C)Br 34a_100009893172_100000688340 [0,2,0,0,0,0|0,0,0]=2 5171 B14R0.2863 CCOC(=O)C[C@H](O)COCCC(C)C 34a_100000210254_100000688340 [0,2,0,0,0,0|0,0,0]=2 5172 B14R0.2863 CCOC(=O)C[C@H](O)COCCC(C)C 7a_100000210254_100000688340 [0,2,0,0,0,0|0,0,0]=2 5173 B14R0.2863 CCOC(=O)C[C@H](O)COCCC(F)F 34a_100103093639_100000688340 [0,2,0,0,0,0|1,0,0]=3 5174 B14R0.2863 CCOC(=O)C[C@H](O)COCC[C@@H](C)N 34a_100000706166_100000688340 [0,2,0,0,0,0|0,0,0]=2 5175 B14R0.2863 CCOC(=O)C[C@H](O)CSCC=C(C)C 62a_100000688340_100000761012 [0,2,0,0,0,0|0,0,2]=4 5176 B14R0.2863 CCOC(=O)C[C@H](O)CSCC=C(C)C 62a_100000761012_100000688340 [0,2,0,0,0,0|0,0,2]=4 5177 B14R0.2863 CCOC(=O)C[C@H](O)CSCCC(=O)C 62a_100000053229_100000688340 [0,2,0,0,0,0|0,0,1]=3 5178 B14R0.2863 CCOC(=O)C[C@H](O)CSCCC(=O)C 62a_100000688340_100000053229 [0,2,0,0,0,0|0,0,1]=3 5179 B14R0.2863 CCOC(=O)C[C@H](O)CSCCC(=O)N 62a_100000688340_100000744528 [0,2,0,0,0,0|1,0,1]=4 5180 B14R0.2863 CCOC(=O)C[C@H](O)CSCCC(=O)N 62a_100000744528_100000688340 [0,2,0,0,0,0|1,0,1]=4 5181 B14R0.2863 CCOC(=O)C[C@H](O)CSCCC(C)C 62a_100000210312_100000688340 [0,2,0,0,0,0|0,0,0]=2 5182 B14R0.2863 CCOC(=O)C[C@H](O)CSCCC(C)C 62a_100000688340_100000210312 [0,2,0,0,0,0|0,0,0]=2 5183 B14R0.2863 CCOC(=O)C[C@H](O)CSCCC(C)O 62a_100000688340_100012276601 [0,2,0,0,0,0|0,0,0]=2 5184 B14R0.2863 CCOC(=O)C[C@H](O)CSCCC(C)O 62a_100012276601_100000688340 [0,2,0,0,0,0|0,0,0]=2 5185 B14R0.2863 CCOC(=O)C[C@H](O)CSCCN(C)C 62a_100000688340_100000755713 [0,2,0,0,0,0|1,0,0]=3 5186 B14R0.2863 CCOC(=O)C[C@H](O)CSCOC(=O)C 62a_100000076356_100000688340 [0,2,0,0,0,0|1,0,1]=4 5187 B14R0.2863 CCOC(=O)C[C@H](O)CSCOC(=O)C 62a_100000688340_100000076356 [0,2,0,0,0,0|1,0,1]=4 5188 B14R0.2863 CCOC(=O)C[C@H](O)CSCOC(C)C 62a_100000688340_100000709892 [0,2,0,0,0,0|1,0,0]=3 5189 B14R0.2863 CCOC(=O)C[C@H](O)CSCOC(C)C 62a_100000709892_100000688340 [0,2,0,0,0,0|1,0,0]=3 5190 B14R0.2863 CCOC(=O)OC(C)SCCCC(C)C 62a_100000036008_100011214892 [0,2,0,0,0,0|2,0,0]=4 5191 B14R0.2863 CCOC(=O)OC(C)SCCCC(C)C 62a_100011214892_100000036008 [0,2,0,0,0,0|2,0,0]=4 5192 B14R0.2863 CCOC(=O)OC(C)SCCCC(C)O 62a_100000036008_200000718107 [0,2,0,0,0,0|2,0,0]=4 5193 B14R0.2863 CCOC(=O)OC(C)SCCCC(C)O 62a_200000718107_100000036008 [0,2,0,0,0,0|2,0,0]=4 5194 B14R0.38 CCOC(=O)CN(CC)CCCC(C)C 2230a_100000220607_100011214892 [0,2,0,0,0,0|2,0,0]=4 5195 B14R0.38 CCOC(=O)CN(CC)CCCC(C)C 269982a_100000220607_100011214892 [0,2,0,0,0,0|2,0,0]=4 5196 B14R0.38 CCOC(=O)CN(CC)CCCC(C)O 2230a_100000220607_200000718107 [0,2,0,0,0,0|2,0,0]=4 5197 B14R0.38 CCOC(=O)CN(CC)CCCC(C)O 269982a_100000220607_200000718107 [0,2,0,0,0,0|2,0,0]=4 5198 B14R0.38 CCOC(=O)C[C@@H](CCl)OCCC(C)C 7a_100000688340_100000210626 [0,2,0,0,0,0|2,0,0]=4 5199 B14R0.38 CCOC(=O)C[C@@H](CCl)OCCC(C)O 7a_100000688340_100012276601 [0,2,0,0,0,0|2,0,0]=4 5200 B14R0.119 CCOC(=O)CC(C)NCC(O)C(C)C 2230a_100000759067_100009817359 [0,2,0,0,0,0|2,0,0]=4 5201 B14R0.119 CCOC(=O)C[C@H](O)COC(C)C(=O)C 34a_100000212229_100000688340 [0,2,0,0,0,0|1,0,1]=4 5202 B14R0.119 CCOC(=O)C[C@H](O)COC(C)C(C)C 7a_100000748068_100000688340 [0,2,0,0,0,0|1,0,0]=3 5203 B14R0.119 CCOC(=O)C[C@H](O)CSC(C)C(=O)C 62a_100000688340_100009814033 [0,2,0,0,0,0|1,0,1]=4 5204 B14R0.119 CCOC(=O)C[C@H](O)CSC(C)C(=O)C 62a_100009814033_100000688340 [0,2,0,0,0,0|1,0,1]=4 5205 B14R0.125 CCOC(=O)C(C)C(=O)CCCC(C)C 1458a_100011216857_100011216346 [0,2,0,0,0,0|0,0,2]=4 5206 B14R0.125 CCOC(=O)C(C)C(=O)CCCC(C)C 1458a_100132301724_100011214892 [0,2,0,0,0,0|0,0,2]=4 5207 B14R0.125 CCOC(=O)C(C)C(=O)CCCC(C)O 1458a_100132301724_200000718107 [0,2,0,0,0,0|0,0,2]=4 5208 B14R0.125 CCOC(=O)C(F)C(=O)CCCC(C)C 1458a_100011216857_100000760018 [0,2,0,0,0,0|0,0,2]=4 5209 B14R0.423 CCOC(=O)CC(C)NCCC(C)(C)C 2230a_100000738805_100009817359 [0,2,0,0,0,0|2,0,0]=4 5210 B14R0.423 CCOC(=O)CC(C)NCCC(C)(C)F 2230a_100016253952_100009817359 [0,2,0,0,0,0|2,0,0]=4 5211 B14R0.423 CCOC(=O)CC(C)OCCC(C)(C)C 7a_100000765024_100009817359 [0,2,0,0,0,0|2,0,0]=4 5212 B14R0.423 CCOC(=O)CC(C)SCCC(C)(C)C 62a_100000755188_100009817359 [0,2,0,0,0,0|2,0,0]=4 5213 B14R0.423 CCOC(=O)CC(C)SCCC(C)(C)C 62a_100009817359_100000755188 [0,2,0,0,0,0|2,0,0]=4 5214 B14R0.423 CCOC(=O)CC(C)SCCC(C)(C)O 62a_100000702414_100009817359 [0,2,0,0,0,0|2,0,0]=4 5215 B14R0.423 CCOC(=O)CC(C)SCCC(C)(C)O 62a_100009817359_100000702414 [0,2,0,0,0,0|2,0,0]=4 5216 B14R0.423 CCOC(=O)CN(C)CCCC(C)(C)O 2230a_100000220588_100009888830 [0,2,0,0,0,0|2,0,0]=4 5217 B14R0.423 CCOC(=O)C[C@@H](C)OCCC(C)(C)C 7a_100009816390_100000755188 [0,2,0,0,0,0|2,0,0]=4 5218 B14R0.423 CCOC(=O)C[C@@H](C)OCCC(C)(C)O 7a_100009816390_100000702414 [0,2,0,0,0,0|2,0,0]=4 5219 B14R0.423 CCOC(=O)C[C@H](O)CNCC(F)(F)F 34a_100000717047_100000688340 [0,2,0,0,0,0|2,0,0]=4 5220 B14R0.423 CCOC(=O)C[C@H](O)COCC(C)(C)F 34a_100000716592_100000688340 [0,2,0,0,0,0|1,0,0]=3 5221 B14R0.423 CCOC(=O)C[C@H](O)COCC(C)(F)F 34a_100000068830_100000688340 [0,2,0,0,0,0|1,0,0]=3 5222 B14R0.423 CCOC(=O)C[C@H](O)COCC(F)(F)Br 34a_100011217949_100000688340 [0,2,0,0,0,0|2,0,0]=4 5223 B14R0.423 CCOC(=O)C[C@H](O)COCC(F)(F)Cl 34a_100000734434_100000688340 [0,2,0,0,0,0|2,0,0]=4 5224 B14R0.423 CCOC(=O)C[C@H](O)COCC(F)(F)F 34a_100000210435_100000688340 [0,2,0,0,0,0|2,0,0]=4 5225 B14R0.423 CCOC(=O)C[C@H](O)CSCC(C)(C)C 62a_100000688340_100011219605 [0,2,0,0,0,0|1,0,0]=3 5226 B14R0.423 CCOC(=O)C[C@H](O)CSCC(C)(C)C 62a_100011219605_100000688340 [0,2,0,0,0,0|1,0,0]=3 5227 B14R0.423 CCOC(=O)C[C@H](O)CSCC(C)(C)F 62a_100000688340_100011997219 [0,2,0,0,0,0|1,0,0]=3 5228 B14R0.423 CCOC(=O)C[C@H](O)CSCC(C)(C)F 62a_100011997219_100000688340 [0,2,0,0,0,0|1,0,0]=3 5229 B14R0.423 CCOC(=O)C[C@H](O)CSCC(C)(C)O 62a_100000688340_100000764493 [0,2,0,0,0,0|1,0,0]=3 5230 B14R0.423 CCOC(=O)C[C@H](O)CSCC(C)(C)O 62a_100000764493_100000688340 [0,2,0,0,0,0|1,0,0]=3 5231 B14R0.423 CCOC(=O)C[C@H](O)CSCC(F)(F)F 62a_100000688340_100000763148 [0,2,0,0,0,0|2,0,0]=4 5232 B14R0.423 CCOC(=O)C[C@H](O)CSCC(F)(F)F 62a_100000763148_100000688340 [0,2,0,0,0,0|2,0,0]=4 5233 B14R0.423 CCOC(=O)C[C@H](O)CSC[N+](C)(C)C 62a_100000688340_200000036245 [0,2,0,0,0,0|2,0,0]=4 5234 B14R0.423 CCOC(=O)C[C@H](O)CSC[N+](C)(C)C 62a_200000036245_100000688340 [0,2,0,0,0,0|2,0,0]=4 5235 B14R0.423 CCOC(=O)C[C@H](O)CSC[Si](C)(C)C 62a_100000037933_100000688340 [0,2,0,0,0,0|1,1,0]=4 5236 B14R0.423 CCOC(=O)C[C@H](O)CSC[Si](C)(C)C 62a_100000688340_100000037933 [0,2,0,0,0,0|1,1,0]=4 5237 B14R0.426 CC(C)CCCC(=O)CC(=O)OC(C)C 1458a_100011216857_100011215430 [0,2,0,0,0,0|0,0,2]=4 5238 B14R0.2211 CCOC(=O)CC(C)(C)OCCC(C)C 7a_100000765344_100000210626 [0,2,0,0,0,0|2,0,0]=4 5239 B14R0.2211 CCOC(=O)CC(C)(C)OCCC(C)O 7a_100000765344_100012276601 [0,2,0,0,0,0|2,0,0]=4 5240 B14R0.243 CCCCCC(=O)CC(=O)OC(C)(C)C 1458a_100000033093_100000210326 [0,2,0,0,0,0|0,0,2]=4 5241 B14R0.243 CCCCCC(=O)CC(=O)OC(C)(C)C 1458a_100000212188_100000183872 [0,2,0,0,0,0|0,0,2]=4 5242 B14R0.243 CCCCCN(C)CC(=O)OC(C)(C)C 2230a_100000223495_100000183872 [0,2,0,0,0,0|2,0,0]=4 5243 B14R0.243 CCCCCN(C)CC(=O)OC(C)(C)C 2230a_100000725589_100000210326 [0,2,0,0,0,0|2,0,0]=4 5244 B14R0.243 CCCCO[C@@H](C)CC(=O)OC(C)(C)C 7a_100000138086_100000210211 [0,2,0,0,0,0|2,0,0]=4 5245 B14R0.1747 CCC(C)CCC(=O)CC(=O)OC(C)C 1458a_100000701222_100011215430 [0,2,0,0,0,0|0,0,2]=4 5246 B14R0.2208 CCOC(=O)CC(C)(C)OCC(C)CC 7a_100000765344_100000748023 [0,2,0,0,0,0|2,0,0]=4 5247 B14R0.2208 CCOC(=O)CC(C)(C)OCC(O)CC 7a_100000765344_100011218378 [0,2,0,0,0,0|2,0,0]=4 5248 B14R0.2208 CCOC(=O)CC(C)(C)OC[C@@H](C)CC 7a_100000765344_100009816398 [0,2,0,0,0,0|2,0,0]=4 5249 B14R0.708 CCOC(=O)C[C@@H](CCl)OCC(C)CC 7a_100000688340_100000748023 [0,2,0,0,0,0|2,0,0]=4 5250 B14R0.708 CCOC(=O)C[C@@H](CCl)OCC(O)CC 7a_100000688340_100011218378 [0,2,0,0,0,0|2,0,0]=4 5251 B14R0.708 CCOC(=O)C[C@@H](CCl)OC[C@@H](C)CC 7a_100000688340_100009816398 [0,2,0,0,0,0|2,0,0]=4 5252 B14R0.1357 CCCCCN(CC(=O)OCC)C(C)C 2230a_100000223497_100000188475 [0,2,0,0,0,0|2,0,0]=4 5253 B14R0.1357 CCCCCN(CC(=O)OCC)C(C)C 2230a_100000717205_100000210326 [0,2,0,0,0,0|2,0,0]=4 5254 B14R0.1357 CCCCCN(CC(=O)OCC)C(C)C 269982a_100000223497_100000188475 [0,2,0,0,0,0|2,0,0]=4 5255 B14R0.1357 CCCCCN(CC(=O)OCC)C(C)C 269982a_100000717205_100000210215 [0,2,0,0,0,0|2,0,0]=4 5256 B14R0.2456 CCCCCN(CCC)CC(=O)OCC 2230a_100000221057_100000210326 [0,2,0,0,0,0|2,0,0]=4 5257 B14R0.2456 CCCCCN(CCC)CC(=O)OCC 2230a_200000226819_100000188475 [0,2,0,0,0,0|2,0,0]=4 5258 B14R0.2456 CCCCCN(CCC)CC(=O)OCC 269982a_100000221057_100000210215 [0,2,0,0,0,0|2,0,0]=4 5259 B14R0.2456 CCCCCN(CCC)CC(=O)OCC 269982a_200000226819_100000188475 [0,2,0,0,0,0|2,0,0]=4 5260 B14R0.2456 CCCCCN(CCO)CC(=O)CCC 2230a_100000224656_100000747444 [0,2,0,0,0,0|2,0,0]=4 5261 B14R0.2456 CCCCCN(CCO)CC(=O)CCC 269982a_100000224656_100000747444 [0,2,0,0,0,0|2,0,0]=4 5262 B14R0.2456 CCCCCN(CCO)CC(=O)NCC 2230a_100000224656_100000183381 [0,2,0,0,0,0|2,0,0]=4 5263 B14R0.2456 CCCCCN(CCO)CC(=O)NCC 269982a_100000224656_100000183381 [0,2,0,0,0,0|2,0,0]=4 5264 B14R0.2456 CCCCCN(CCO)CC(=O)OCC 2230a_100000224656_100000188475 [0,2,0,0,0,0|1,0,0]=3 5265 B14R0.2456 CCCCCN(CCO)CC(=O)OCC 269982a_100000224656_100000188475 [0,2,0,0,0,0|1,0,0]=3 5266 B14R0.2456 CCCCOC(CCC)CC(=O)OCC 7a_100011216533_100000210211 [0,2,0,0,0,0|2,0,0]=4 5267 B14R0.656 CCCCCC(=O)C(C)(C)C(=O)OCC 1458a_100000694683_100000210326 [0,2,0,0,0,0|0,0,2]=4 5268 B14R0.656 CCCCCC(=O)C(C)(O)C(=O)OCC 1458a_200009913003_100000210326 [0,2,0,0,0,0|0,0,2]=4 5269 B14R0.656 CCCCCN(C)C(C)(C)C(=O)OCC 2230a_100000223495_100011216345 [0,2,0,0,0,0|2,0,0]=4 5270 B14R0.656 CCCCCN(C)C(C)(C)C(=O)OCC 269982a_100000223495_100048669870 [0,2,0,0,0,0|2,0,0]=4 5271 B14R0.656 CCCCCN(C)C(F)(F)C(=O)OCC 269982a_100000223495_100000210910 [0,2,0,0,0,0|2,0,0]=4 5272 B14R0.656 CCCCOC(C)C(C)(C)C(=O)OCC 7a_100011668300_100000210211 [0,2,0,0,0,0|2,0,0]=4 5273 B14R0.1185 CCOC(=O)C(C)C(=O)CCC(C)CC 1458a_100000701222_100011216346 [0,2,0,0,0,0|0,0,2]=4 5274 B14R0.1185 CCOC(=O)C(F)C(=O)CCC(C)CC 1458a_100000701222_100000760018 [0,2,0,0,0,0|0,0,2]=4 5275 B14R0.2245 CCCCCC(=O)C(CC)C(=O)OCC 1458a_100000212188_100000212269 [0,2,0,0,0,0|0,0,2]=4 5276 B14R0.2245 CCCCCC(=O)C(SC)C(=O)OCC 1458a_100000212188_100009893047 [0,2,0,0,0,0|0,0,2]=4 5277 B14R0.2245 CCCCCN(C)C(CC)C(=O)OCC 2230a_100000223495_100000212269 [0,2,0,0,0,0|2,0,0]=4 5278 B14R0.2245 CCCCCN(C)C(CC)C(=O)OCC 269982a_100000223495_100000212269 [0,2,0,0,0,0|2,0,0]=4 5279 B14R0.2245 CCCCCN(C)C(SC)C(=O)OCC 269982a_100000223495_100009893047 [0,2,0,0,0,0|2,0,0]=4 5280 B14R0.424 C#CC(CC)OC[C@@H](O)CC(=O)OCC 34a_100000758843_100000688340 [0,2,0,0,0,0|1,0,0]=3 5281 B14R0.424 C#CC(CC)OC[C@@H](O)CC(=O)OCC 7a_100000758843_100000688340 [0,2,0,0,0,0|1,0,0]=3 5282 B14R0.424 C=CC(CC)OC[C@@H](O)CC(=O)OCC 34a_100000766422_100000688340 [0,2,0,0,0,0|1,0,0]=3 5283 B14R0.424 C=CC(CC)OC[C@@H](O)CC(=O)OCC 7a_100000766422_100000688340 [0,2,0,0,0,0|1,0,0]=3 5284 B14R0.424 C=C[C@@H](CO)NC[C@@H](O)CC(=O)OCC 34a_100016989147_100000688340 [0,2,0,0,0,0|2,0,0]=4 5285 B14R0.424 CCOC(=O)CC(C)NCC(CC)CC 2230a_100102946423_100009817359 [0,2,0,0,0,0|2,0,0]=4 5286 B14R0.424 CCOC(=O)CC(C)OCC(CC)CC 7a_100000703878_100009817359 [0,2,0,0,0,0|2,0,0]=4 5287 B14R0.424 CCOC(=O)CC(C)OCC(CC)OC 7a_100011934954_100009817359 [0,2,0,0,0,0|2,0,0]=4 5288 B14R0.424 CCOC(=O)CC(C)SCC(CC)CC 62a_100009817359_100011215472 [0,2,0,0,0,0|2,0,0]=4 5289 B14R0.424 CCOC(=O)CC(C)SCC(CC)CC 62a_100011215472_100009817359 [0,2,0,0,0,0|2,0,0]=4 5290 B14R0.424 CCOC(=O)C[C@@H](C)OCC(CC)CC 7a_100009816390_100011215472 [0,2,0,0,0,0|2,0,0]=4 5291 B14R0.424 CCOC(=O)C[C@H](O)COC(CC)CC 7a_100000688536_100000688340 [0,2,0,0,0,0|1,0,0]=3 5292 B14R0.424 CCOC(=O)C[C@H](O)COC(CCl)CCl 7a_100000737055_100000688340 [0,2,0,0,0,0|2,0,0]=4 5293 B14R0.424 CCOC(=O)C[C@H](O)COC(CF)CF 34a_100000032261_100000688340 [0,2,0,0,0,0|2,0,0]=4 5294 B14R0.424 CCOC(=O)C[C@H](O)COC(CF)CF 7a_100000032261_100000688340 [0,2,0,0,0,0|2,0,0]=4 5295 B14R0.424 CCOC(=O)C[C@H](O)COC(CN)CN 34a_100000031598_100000688340 [0,2,0,0,0,0|2,0,0]=4 5296 B14R0.424 CCOC(=O)C[C@H](O)CO[C@@H](CF)CCl 34a_100015614560_100000688340 [0,2,0,0,0,0|2,0,0]=4 5297 B14R0.424 CCOC(=O)C[C@H](O)CO[C@@H](CF)CCl 7a_100015614560_100000688340 [0,2,0,0,0,0|2,0,0]=4 5298 B14R0.424 CCOC(=O)C[C@H](O)CSC(CC)CC 62a_100000210505_100000688340 [0,2,0,0,0,0|1,0,0]=3 5299 B14R0.424 CCOC(=O)C[C@H](O)CSC(CC)CC 62a_100000688340_100000210505 [0,2,0,0,0,0|1,0,0]=3 5300 B14R0.425 CCOC(=O)CC(C)OCC(C)(C)CC 7a_100000765029_100009817359 [0,2,0,0,0,0|2,0,0]=4 5301 B14R0.425 CCOC(=O)C[C@H](O)COC(C)(C)CC 7a_100000210230_100000688340 [0,2,0,0,0,0|1,0,0]=3 5302 B14R0.425 CCOC(=O)C[C@H](O)COC(C)(C)CCl 7a_100000764493_100000688340 [0,2,0,0,0,0|2,0,0]=4 5303 B14R0.425 CCOC(=O)C[C@H](O)CSC(C)(C)CC 62a_100000032637_100000688340 [0,2,0,0,0,0|1,0,0]=3 5304 B14R0.425 CCOC(=O)C[C@H](O)CSC(C)(C)CC 62a_100000688340_100000032637 [0,2,0,0,0,0|1,0,0]=3 5305 B14R0.425 CCOC(=O)C[C@H](O)CSC(F)(F)CO 62a_100000688340_100011217949 [0,2,0,0,0,0|2,0,0]=4 5306 B14R0.425 CCOC(=O)C[C@H](O)CSC(F)(F)CO 62a_100011217949_100000688340 [0,2,0,0,0,0|2,0,0]=4 5307 B12R1.28 CCCCCN1CCNC(=O)C1 2230a_100000184651_100000210326 [1,0,0,1,0,0|2,0,0]=4 5308 B12R1.28 CCCCCN1CCOC(=O)C1 2230a_100000131268_100000210326 [1,0,0,1,0,0|1,0,0]=3 5309 B12R1.28 CCCCNC1CCNC(=O)C1 2230a_100016994916_100000210211 [1,0,0,1,0,0|2,0,0]=4 5310 B12R1.28 CCCCNC1CCNC(=O)C1 34a_100016994916_100000210210 [1,0,0,1,0,0|2,0,0]=4 5311 B12R1.28 CCCCOC1CCCC(=O)C1 34a_100012613340_100000210210 [1,0,0,1,0,0|2,0,0]=4 5312 B12R1.28 CCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210210 [1,0,0,1,0,0|2,0,0]=4 5313 B12R1.28 CCCOCC1CCNC(=O)C1 34a_100009886756_100000210303 [1,0,0,1,0,0|2,0,0]=4 5314 B12R1.28 CCOCCN1CCOC(=O)C1 2230a_100000131268_100011215890 [1,0,0,1,0,0|2,0,0]=4 5315 B12R1.28 CCSCCN1CCOC(=O)C1 2230a_100000131268_100000757381 [1,0,0,1,0,0|2,0,0]=4 5316 B12R1.28 COCCCN1CCOC(=O)C1 2230a_100000131268_100000740836 [1,0,0,1,0,0|2,0,0]=4 5317 B12R1.28 O=C1CN(CCO1)CCCCF 2230a_100000131268_100000729493 [1,0,0,1,0,0|2,0,0]=4 5318 B12R1.28 O=C1CN(CCO1)CCCCO 2230a_100000131268_100000210776 [1,0,0,1,0,0|2,0,0]=4 5319 B12R1.32 CC#CC(=O)CC1CCCCC1 1458a_100000763181_100000211423 [1,0,0,1,0,0|1,0,1]=4 5320 B12R1.32 CC=CC(=O)CC1CCCCC1 1458a_100000210699_100000211423 [1,0,0,1,0,0|1,0,1]=4 5321 B12R1.32 CCCC(=O)CC1CCCCC1 1458a_100000211666_100000210303 [1,0,0,1,0,0|1,0,0]=3 5322 B12R1.32 CCCC(=O)CC1CCCCC1 1458a_100000211992_100000211423 [1,0,0,1,0,0|1,0,0]=3 5323 B12R1.32 CCCC(=O)CC1CCCCO1 1458a_100000211992_100000211543 [1,0,0,1,0,0|2,0,0]=4 5324 B12R1.32 CCCC(=O)CC1CCCCO1 1458a_100000238585_100000210303 [1,0,0,1,0,0|2,0,0]=4 5325 B12R1.32 CCCC(=O)CC1CCCOC1 1458a_100000211992_100000741521 [1,0,0,1,0,0|2,0,0]=4 5326 B12R1.32 CCCC(=O)CC1CCCOC1 1458a_100000741523_100000210303 [1,0,0,1,0,0|2,0,0]=4 5327 B12R1.32 CCCC(=O)CC1CCOCC1 1458a_100000211992_100000754603 [1,0,0,1,0,0|2,0,0]=4 5328 B12R1.32 CCCC(=O)CC1CCOCC1 1458a_100000757261_100000210303 [1,0,0,1,0,0|2,0,0]=4 5329 B12R1.32 CCCC(=O)CN1CCCCC1 1458a_100000740322_100000210303 [1,0,0,1,0,0|2,0,0]=4 5330 B12R1.32 CCCC(=O)NC1CCCCC1 11a_100000182618_100000211992 [1,0,0,1,0,0|2,0,0]=4 5331 B12R1.32 CCCC(=O)NC1CCCCC1 1626a_100000182618_100000211992 [1,0,0,1,0,0|2,0,0]=4 5332 B12R1.32 CCCC(=O)NC1CCCCC1 240690a_100000182618_100000211992 [1,0,0,1,0,0|2,0,0]=4 5333 B12R1.32 CCCC(=O)NC1CCCCC1 527a_100000182618_100000211992 [1,0,0,1,0,0|2,0,0]=4 5334 B12R1.32 CCNC(=O)CC1CCCCC1 11a_100015525214_100000211666 [1,0,0,1,0,0|1,0,0]=3 5335 B12R1.32 CCNC(=O)CC1CCCCC1 240690a_100015525214_100000211666 [1,0,0,1,0,0|1,0,0]=3 5336 B12R1.32 CCNC(=O)CC1CCCCC1 527a_100015525214_100000211666 [1,0,0,1,0,0|1,0,0]=3 5337 B12R1.32 CCNC(=O)CC1CCCCO1 11a_100015525214_100000238585 [1,0,0,1,0,0|2,0,0]=4 5338 B12R1.32 CCNC(=O)CC1CCCCO1 240690a_100015525214_100000238585 [1,0,0,1,0,0|2,0,0]=4 5339 B12R1.32 CCNC(=O)CC1CCCCO1 527a_100015525214_100000238585 [1,0,0,1,0,0|2,0,0]=4 5340 B12R1.32 CCNC(=O)CC1CCCOC1 11a_100015525214_100000741523 [1,0,0,1,0,0|2,0,0]=4 5341 B12R1.32 CCNC(=O)CC1CCCOC1 240690a_100015525214_100000741523 [1,0,0,1,0,0|2,0,0]=4 5342 B12R1.32 CCNC(=O)CC1CCCOC1 527a_100015525214_100000741523 [1,0,0,1,0,0|2,0,0]=4 5343 B12R1.32 CCNC(=O)CC1CCOCC1 11a_100015525214_100000757261 [1,0,0,1,0,0|2,0,0]=4 5344 B12R1.32 CCNC(=O)CC1CCOCC1 240690a_100015525214_100000757261 [1,0,0,1,0,0|2,0,0]=4 5345 B12R1.32 CCNC(=O)CC1CCOCC1 527a_100015525214_100000757261 [1,0,0,1,0,0|2,0,0]=4 5346 B12R1.32 CCNC(=O)CN1CCCCC1 11a_100015525214_100000740322 [1,0,0,1,0,0|2,0,0]=4 5347 B12R1.32 CCNC(=O)CN1CCCCC1 240690a_100015525214_100000740322 [1,0,0,1,0,0|2,0,0]=4 5348 B12R1.32 CCNC(=O)CN1CCCCC1 527a_100015525214_100000740322 [1,0,0,1,0,0|2,0,0]=4 5349 B12R1.32 CCNC(=O)NC1CCCCC1 2708a_100000182618_100015525214 [1,0,0,1,0,0|2,0,0]=4 5350 B12R1.32 CCNC(=O)NC1CCCCC1 2708a_100015525214_100000182618 [1,0,0,1,0,0|2,0,0]=4 5351 B12R1.32 CCNC(=O)NC1CCCCC1 273464a_100000182618_100015525214 [1,0,0,1,0,0|2,0,0]=4 5352 B12R1.32 CCNC(=O)NC1CCCCC1 273464a_100015525214_100000182618 [1,0,0,1,0,0|2,0,0]=4 5353 B12R1.32 CCOC(=O)CN1CCCOC1 2230a_100000131196_100000188475 [1,0,0,1,0,0|2,0,0]=4 5354 B12R1.32 CCOC(=O)CN1CCCOC1 269982a_100000131196_100000188475 [1,0,0,1,0,0|2,0,0]=4 5355 B12R1.32 CCOC(=O)CN1CCCOC1 34a_100000131196_100000188475 [1,0,0,1,0,0|2,0,0]=4 5356 B12R1.32 CCOC(=O)CN1CCOCC1 2230a_100015191051_100000188475 [1,0,0,1,0,0|2,0,0]=4 5357 B12R1.32 CCOC(=O)CN1CCOCC1 269982a_100015191051_100000188475 [1,0,0,1,0,0|2,0,0]=4 5358 B12R1.32 CCOC(=O)CN1CCOCC1 34a_100015191051_100000188475 [1,0,0,1,0,0|2,0,0]=4 5359 B12R1.32 CCOC(=O)CN1CCSCC1 2230a_100000737611_100000188475 [1,0,0,1,0,0|2,0,0]=4 5360 B12R1.32 CCOC(=O)CN1CCSCC1 269982a_100000737611_100000188475 [1,0,0,1,0,0|2,0,0]=4 5361 B12R1.32 CNNC(=O)CC1CCCCC1 22a_100016993582_100000211666 [1,0,0,1,0,0|2,0,0]=4 5362 B12R1.32 COCC(=O)CC1CCCCC1 1458a_100000210968_100000211423 [1,0,0,1,0,0|2,0,0]=4 5363 B12R1.32 CSCC(=O)CC1CCCCC1 1458a_100000184570_100000211423 [1,0,0,1,0,0|2,0,0]=4 5364 B12R1.32 O=C(CCF)CC1CCCCC1 1458a_100000211666_100011217306 [1,0,0,1,0,0|2,0,0]=4 5365 B12R1.32 O=C(CCO)CC1CCCCC1 1458a_100000211666_100000211926 [1,0,0,1,0,0|2,0,0]=4 5366 B12R1.32 O=C(CCO)CC1CCCCC1 1458a_100011216618_100000211423 [1,0,0,1,0,0|2,0,0]=4 5367 B12R1.51 CC#CC(=O)CCC1CCCC1 1458a_100000763181_100000760354 [1,0,0,1,0,0|1,0,1]=4 5368 B12R1.51 CC=CC(=O)CCC1CCCC1 1458a_100000210699_100000760354 [1,0,0,1,0,0|1,0,1]=4 5369 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211120_100000210303 [1,0,0,1,0,0|1,0,0]=3 5370 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211992_100000760354 [1,0,0,1,0,0|1,0,0]=3 5371 B12R1.51 CCCC(=O)CCC1CCCO1 1458a_100011247709_100000210303 [1,0,0,1,0,0|2,0,0]=4 5372 B12R1.51 CCCC(=O)CCN1CCCC1 1458a_100000211992_100000004467 [1,0,0,1,0,0|2,0,0]=4 5373 B12R1.51 CCCC(=O)CCN1CCCC1 1458a_100000738983_100000210303 [1,0,0,1,0,0|2,0,0]=4 5374 B12R1.51 CCCC(=O)CNC1CCCC1 2230a_100000211070_100000747444 [1,0,0,1,0,0|2,0,0]=4 5375 B12R1.51 CCCC(=O)COC1CCCC1 1458a_100000741352_100000210303 [1,0,0,1,0,0|2,0,0]=4 5376 B12R1.51 CCCC(=O)COC1CCCC1 7a_100000210269_100000747444 [1,0,0,1,0,0|2,0,0]=4 5377 B12R1.51 CCCC(=O)CSC1CCCC1 62a_100000747444_100000179811 [1,0,0,1,0,0|2,0,0]=4 5378 B12R1.51 CCCC(=O)CSC1CCCC1 62a_100011217020_100000747444 [1,0,0,1,0,0|2,0,0]=4 5379 B12R1.51 CCCC(=O)NCC1CCCC1 11a_100000737975_100000211992 [1,0,0,1,0,0|2,0,0]=4 5380 B12R1.51 CCCC(=O)NCC1CCCC1 1626a_100000737975_100000211992 [1,0,0,1,0,0|2,0,0]=4 5381 B12R1.51 CCCC(=O)NCC1CCCC1 240690a_100000737975_100000211992 [1,0,0,1,0,0|2,0,0]=4 5382 B12R1.51 CCCC(=O)NCC1CCCC1 527a_100000737975_100000211992 [1,0,0,1,0,0|2,0,0]=4 5383 B12R1.51 CCNC(=O)CCC1CCCC1 11a_100015525214_100000211120 [1,0,0,1,0,0|1,0,0]=3 5384 B12R1.51 CCNC(=O)CCC1CCCC1 240690a_100015525214_100000211120 [1,0,0,1,0,0|1,0,0]=3 5385 B12R1.51 CCNC(=O)CCC1CCCC1 527a_100015525214_100000211120 [1,0,0,1,0,0|1,0,0]=3 5386 B12R1.51 CCNC(=O)CCC1CCCO1 11a_100015525214_100011247709 [1,0,0,1,0,0|2,0,0]=4 5387 B12R1.51 CCNC(=O)CCC1CCCO1 240690a_100015525214_100011247709 [1,0,0,1,0,0|2,0,0]=4 5388 B12R1.51 CCNC(=O)CCC1CCCO1 527a_100015525214_100011247709 [1,0,0,1,0,0|2,0,0]=4 5389 B12R1.51 CCNC(=O)CCN1CCCC1 2230a_100000188435_100000737597 [1,0,0,1,0,0|2,0,0]=4 5390 B12R1.51 CCNC(=O)CCN1CCCC1 240690a_100015525214_100000738983 [1,0,0,1,0,0|2,0,0]=4 5391 B12R1.51 CCNC(=O)CCN1CCCC1 269982a_100000188435_100000737597 [1,0,0,1,0,0|2,0,0]=4 5392 B12R1.51 CCNC(=O)CNC1CCCC1 2230a_100000211070_100000183381 [1,0,0,1,0,0|2,0,0]=4 5393 B12R1.51 CCNC(=O)CNC1CCCC1 2230a_100016988866_100000179811 [1,0,0,1,0,0|2,0,0]=4 5394 B12R1.51 CCNC(=O)CNC1CCCC1 270004a_100016988866_100000210133 [1,0,0,1,0,0|2,0,0]=4 5395 B12R1.51 CCNC(=O)CNC1CCCC1 34a_100000211070_100000183381 [1,0,0,1,0,0|2,0,0]=4 5396 B12R1.51 CCNC(=O)COC1CCCC1 11a_100015525214_100000741352 [1,0,0,1,0,0|2,0,0]=4 5397 B12R1.51 CCNC(=O)COC1CCCC1 240690a_100015525214_100000741352 [1,0,0,1,0,0|2,0,0]=4 5398 B12R1.51 CCNC(=O)COC1CCCC1 34a_100000210269_100000183381 [1,0,0,1,0,0|2,0,0]=4 5399 B12R1.51 CCNC(=O)COC1CCCC1 527a_100015525214_100000741352 [1,0,0,1,0,0|2,0,0]=4 5400 B12R1.51 CCNC(=O)COC1CCCC1 7a_100000210269_100000183381 [1,0,0,1,0,0|2,0,0]=4 5401 B12R1.51 CCNC(=O)CSC1CCCC1 62a_100000183381_100000179811 [1,0,0,1,0,0|2,0,0]=4 5402 B12R1.51 CCNC(=O)CSC1CCCC1 62a_100011217020_100000183381 [1,0,0,1,0,0|2,0,0]=4 5403 B12R1.51 CCNC(=O)NCC1CCCC1 2708a_100000737975_100015525214 [1,0,0,1,0,0|2,0,0]=4 5404 B12R1.51 CCNC(=O)NCC1CCCC1 2708a_100015525214_100000737975 [1,0,0,1,0,0|2,0,0]=4 5405 B12R1.51 CCNC(=O)NCC1CCCC1 273464a_100000737975_100015525214 [1,0,0,1,0,0|2,0,0]=4 5406 B12R1.51 CCNC(=O)NCC1CCCC1 273464a_100015525214_100000737975 [1,0,0,1,0,0|2,0,0]=4 5407 B12R1.51 CCNC(=O)NCC1CCCC1 512a_100000737975_100015525214 [1,0,0,1,0,0|2,0,0]=4 5408 B12R1.51 CCNC(=O)NCC1CCCC1 512a_100015525214_100000737975 [1,0,0,1,0,0|2,0,0]=4 5409 B12R1.51 CCOC(=O)CCN1CCCC1 2230a_100000188435_100011206558 [1,0,0,1,0,0|1,0,0]=3 5410 B12R1.51 CCOC(=O)CCN1CCCC1 269982a_100000188435_100011206558 [1,0,0,1,0,0|1,0,0]=3 5411 B12R1.51 CCOC(=O)CCN1CCSC1 2230a_100011215254_100011206558 [1,0,0,1,0,0|2,0,0]=4 5412 B12R1.51 CCOC(=O)CCN1CCSC1 269982a_100011215254_100011206558 [1,0,0,1,0,0|2,0,0]=4 5413 B12R1.51 CCOC(=O)CNC1CCCC1 2230a_100000211070_100000188475 [1,0,0,1,0,0|1,0,0]=3 5414 B12R1.51 CCOC(=O)CNC1CCCC1 34a_100000211070_100000188475 [1,0,0,1,0,0|1,0,0]=3 5415 B12R1.51 CCOC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000188475 [1,0,0,1,0,0|2,0,0]=4 5416 B12R1.51 CCOC(=O)CN[C@H]1CCOC1 2230a_100015188467_100000188475 [1,0,0,1,0,0|2,0,0]=4 5417 B12R1.51 CCOC(=O)CN[C@H]1CCOC1 34a_100015188467_100000188475 [1,0,0,1,0,0|2,0,0]=4 5418 B12R1.51 CCOC(=O)COC1CCCC1 34a_100000210269_100000188475 [1,0,0,1,0,0|1,0,0]=3 5419 B12R1.51 CCOC(=O)COC1CCCC1 7a_100000210269_100000188475 [1,0,0,1,0,0|1,0,0]=3 5420 B12R1.51 CCOC(=O)COC1CCCO1 34a_100000085407_100000188475 [1,0,0,1,0,0|2,0,0]=4 5421 B12R1.51 CCOC(=O)COC1CCSC1 7a_100011232664_100000188475 [1,0,0,1,0,0|2,0,0]=4 5422 B12R1.51 CCOC(=O)CO[C@H]1CCOC1 34a_100000717292_100000188475 [1,0,0,1,0,0|2,0,0]=4 5423 B12R1.51 CCOC(=O)CSC1CCCC1 62a_100000188475_100000179811 [1,0,0,1,0,0|1,0,0]=3 5424 B12R1.51 CCOC(=O)CSC1CCCC1 62a_100011217020_100000188475 [1,0,0,1,0,0|1,0,0]=3 5425 B12R1.51 CCOC(=O)CSC1CCOC1 62a_100000188475_100000690089 [1,0,0,1,0,0|2,0,0]=4 5426 B12R1.51 CNNC(=O)CCC1CCCC1 22a_100016993582_100000211120 [1,0,0,1,0,0|2,0,0]=4 5427 B12R1.51 COCC(=O)CCC1CCCC1 1458a_100000210968_100000760354 [1,0,0,1,0,0|2,0,0]=4 5428 B12R1.51 CSCC(=O)CCC1CCCC1 1458a_100000184570_100000760354 [1,0,0,1,0,0|2,0,0]=4 5429 B12R1.51 O=C(CCF)CCC1CCCC1 1458a_100000211120_100011217306 [1,0,0,1,0,0|2,0,0]=4 5430 B12R1.51 O=C(CCO)CCC1CCCC1 1458a_100000211120_100000211926 [1,0,0,1,0,0|2,0,0]=4 5431 B12R1.51 O=C(CCO)CCC1CCCC1 1458a_100011216618_100000760354 [1,0,0,1,0,0|2,0,0]=4 5432 B12R1.308 CC1CCCCC1C(=O)CCF 1458a_100011215568_100011217306 [1,0,0,1,0,0|2,0,0]=4 5433 B12R1.308 CC1CCCCC1C(=O)CCO 1458a_100011215568_100000211926 [1,0,0,1,0,0|2,0,0]=4 5434 B12R1.308 CCCC(=O)C1CCCCC1C 1458a_100011215568_100000210303 [1,0,0,1,0,0|1,0,0]=3 5435 B12R1.308 CCCC(=O)C1CCCCC1O 1458a_100011803323_100000210303 [1,0,0,1,0,0|2,0,0]=4 5436 B12R1.308 CCCC(=O)N1CCCCC1C 11a_100000211376_100000211992 [1,0,0,1,0,0|2,0,0]=4 5437 B12R1.308 CCCC(=O)N1CCCCC1C 1626a_100000211376_100000211992 [1,0,0,1,0,0|2,0,0]=4 5438 B12R1.308 CCCC(=O)N1CCCCC1C 240690a_100000211376_100000211992 [1,0,0,1,0,0|2,0,0]=4 5439 B12R1.308 CCCC(=O)N1CCCCC1C 527a_100000211376_100000211992 [1,0,0,1,0,0|2,0,0]=4 5440 B12R1.308 CCCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000210303 [1,0,0,1,0,0|2,0,0]=4 5441 B12R1.308 CCNC(=O)C1CCCCC1C 11a_100015525214_100011215568 [1,0,0,1,0,0|1,0,0]=3 5442 B12R1.308 CCNC(=O)C1CCCCC1C 240690a_100015525214_100011215568 [1,0,0,1,0,0|1,0,0]=3 5443 B12R1.308 CCNC(=O)C1CCCCC1C 527a_100015525214_100011215568 [1,0,0,1,0,0|1,0,0]=3 5444 B12R1.308 CCNC(=O)N1CCCCC1C 2708a_100015525214_100000211376 [1,0,0,1,0,0|2,0,0]=4 5445 B12R1.308 CCNC(=O)N1CCCCC1C 273464a_100015525214_100000211376 [1,0,0,1,0,0|2,0,0]=4 5446 B12R1.308 CCNC(=O)[C@H]1CCCCN1C 11a_100015525214_100000767060 [1,0,0,1,0,0|2,0,0]=4 5447 B12R1.308 CCNC(=O)[C@H]1CCCCN1C 240690a_100015525214_100000767060 [1,0,0,1,0,0|2,0,0]=4 5448 B12R1.308 CCNC(=O)[C@H]1CCCCN1C 527a_100015525214_100000767060 [1,0,0,1,0,0|2,0,0]=4 5449 B12R1.308 CCOC(=O)C1CCCCN1C 2230a_100016990872_200000210301 [1,0,0,1,0,0|1,0,0]=3 5450 B12R1.308 CCOC(=O)C1CCCCN1C 269982a_100016990872_200000210301 [1,0,0,1,0,0|1,0,0]=3 5451 B12R1.308 CCOC(=O)C1CCCCN1[13CH3] 2230a_100016990872_200025704644 [1,0,0,1,0,0|1,0,0]=3 5452 B12R1.308 CCOC(=O)C1CCCCN1[13CH3] 269982a_100016990872_200025704644 [1,0,0,1,0,0|1,0,0]=3 5453 B12R1.308 CCOC(=O)C1CSCCN1C 2230a_100000735462_200000210301 [1,0,0,1,0,0|2,0,0]=4 5454 B12R1.308 CCOC(=O)C1CSCCN1C 269982a_100000735462_200000210301 [1,0,0,1,0,0|2,0,0]=4 5455 B12R1.308 CCOC(=O)C1CSCCN1[13CH3] 2230a_100000735462_200025704644 [1,0,0,1,0,0|2,0,0]=4 5456 B12R1.308 CCOC(=O)C1CSCCN1[13CH3] 269982a_100000735462_200025704644 [1,0,0,1,0,0|2,0,0]=4 5457 B12R1.308 CCOC(=O)[C@@H]1COCCN1C 2230a_100015229691_200000210301 [1,0,0,1,0,0|2,0,0]=4 5458 B12R1.308 CCOC(=O)[C@@H]1COCCN1C 269982a_100015229691_200000210301 [1,0,0,1,0,0|2,0,0]=4 5459 B12R1.308 CCOC(=O)[C@@H]1COCCN1[13CH3] 2230a_100015229691_200025704644 [1,0,0,1,0,0|2,0,0]=4 5460 B12R1.308 CCOC(=O)[C@@H]1COCCN1[13CH3] 269982a_100015229691_200025704644 [1,0,0,1,0,0|2,0,0]=4 5461 B12R1.308 CNNC(=O)C1CCCCC1C 22a_100016993582_100011215568 [1,0,0,1,0,0|2,0,0]=4 5462 B12R1.310 CCCC(=O)COCCC1CC1 7a_100000754188_100000747444 [1,0,0,1,0,0|2,0,0]=4 5463 B12R1.310 CCCC(=O)CSCCC1CC1 62a_100000747444_100000764125 [1,0,0,1,0,0|2,0,0]=4 5464 B12R1.310 CCCC(=O)CSCCC1CC1 62a_100000764125_100000747444 [1,0,0,1,0,0|2,0,0]=4 5465 B12R1.310 CCNC(=O)CCNCC1CC1 2230a_100000735609_100000737597 [1,0,0,1,0,0|2,0,0]=4 5466 B12R1.310 CCNC(=O)CCNCC1CC1 269862a_100025743525_100000741477 [1,0,0,1,0,0|2,0,0]=4 5467 B12R1.310 CCNC(=O)CCNCC1CC1 34a_100025743525_100000742324 [1,0,0,1,0,0|2,0,0]=4 5468 B12R1.310 CCNC(=O)CCSCC1CC1 62a_100000737597_100000742324 [1,0,0,1,0,0|2,0,0]=4 5469 B12R1.310 CCNC(=O)CCSCC1CC1 62a_100000756562_100000737597 [1,0,0,1,0,0|2,0,0]=4 5470 B12R1.310 CCNC(=O)CNCCC1CC1 2230a_100016988866_100000694398 [1,0,0,1,0,0|2,0,0]=4 5471 B12R1.310 CCNC(=O)CNCCC1CC1 34a_100000764129_100000183381 [1,0,0,1,0,0|2,0,0]=4 5472 B12R1.310 CCNC(=O)COCCC1CC1 34a_100000754188_100000183381 [1,0,0,1,0,0|2,0,0]=4 5473 B12R1.310 CCNC(=O)COCCC1CC1 7a_100000754188_100000183381 [1,0,0,1,0,0|2,0,0]=4 5474 B12R1.310 CCNC(=O)CSCCC1CC1 62a_100000183381_100000764125 [1,0,0,1,0,0|2,0,0]=4 5475 B12R1.310 CCNC(=O)CSCCC1CC1 62a_100000764125_100000183381 [1,0,0,1,0,0|2,0,0]=4 5476 B12R1.310 CCOC(=O)CCCNC1CC1 34a_100000212008_100009991533 [1,0,0,1,0,0|1,0,0]=3 5477 B12R1.310 CCOC(=O)CCCSC1CC1 62a_100009991533_100000211595 [1,0,0,1,0,0|1,0,0]=3 5478 B12R1.310 CCOC(=O)CCNCC1CC1 2230a_100000735609_100011206558 [1,0,0,1,0,0|1,0,0]=3 5479 B12R1.310 CCOC(=O)CCNCC1CC1 34a_100000735609_100000765890 [1,0,0,1,0,0|1,0,0]=3 5480 B12R1.310 CCOC(=O)CCOCC1CC1 34a_100000211283_100000765890 [1,0,0,1,0,0|1,0,0]=3 5481 B12R1.310 CCOC(=O)CCOC[C@@H]1CO1 34a_100000757423_100000765890 [1,0,0,1,0,0|2,0,0]=4 5482 B12R1.310 CCOC(=O)CCSCC1CC1 62a_100000756562_100000765890 [1,0,0,1,0,0|1,0,0]=3 5483 B12R1.310 CCOC(=O)CCSCC1CC1 62a_100000765890_100000742324 [1,0,0,1,0,0|1,0,0]=3 5484 B12R1.310 CCOC(=O)CCSCC1CO1 62a_100000765890_102125554688 [1,0,0,1,0,0|2,0,0]=4 5485 B12R1.310 CCOC(=O)CCSCC1CO1 62a_102125554688_100000765890 [1,0,0,1,0,0|2,0,0]=4 5486 B12R1.310 CCOC(=O)CCSCC1CS1 62a_100000031435_100000765890 [1,0,0,1,0,0|2,0,0]=4 5487 B12R1.310 CCOC(=O)CCSCC1CS1 62a_100000765890_100000031435 [1,0,0,1,0,0|2,0,0]=4 5488 B12R1.310 CCOC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000765890 [1,0,0,1,0,0|2,0,0]=4 5489 B12R1.310 CCOC(=O)CCSC[C@@H]1CO1 62a_100000765890_100000745022 [1,0,0,1,0,0|2,0,0]=4 5490 B12R1.310 CCOC(=O)CNCCC1CC1 34a_100000764129_100000188475 [1,0,0,1,0,0|1,0,0]=3 5491 B12R1.310 CCOC(=O)COCCC1CC1 34a_100000754188_100000188475 [1,0,0,1,0,0|1,0,0]=3 5492 B12R1.310 CCOC(=O)COCCC1CC1 7a_100000754188_100000188475 [1,0,0,1,0,0|1,0,0]=3 5493 B12R1.310 CCOC(=O)COCC[C@@H]1CO1 34a_100009820653_100000188475 [1,0,0,1,0,0|2,0,0]=4 5494 B12R1.310 CCOC(=O)CSCCC1CC1 62a_100000188475_100000764125 [1,0,0,1,0,0|1,0,0]=3 5495 B12R1.310 CCOC(=O)CSCCC1CC1 62a_100000764125_100000188475 [1,0,0,1,0,0|1,0,0]=3 5496 B12R1.310 CCOC(=O)CSCCC1CO1 62a_100000188475_100000732470 [1,0,0,1,0,0|2,0,0]=4 5497 B12R1.310 CCOC(=O)CSCCC1CO1 62a_100000732470_100000188475 [1,0,0,1,0,0|2,0,0]=4 5498 B12R1.310 CCOC(=O)NCCOC1CC1 34a_100000158857_100000211595 [1,0,0,1,0,0|2,0,0]=4 5499 B12R1.310 CCOC(=O)OCSCC1CC1 62a_100000756562_100000075025 [1,0,0,1,0,0|2,0,0]=4 5500 B12R1.311 CCNC(=O)CCN1CCC1C 269982a_100000755817_100000737597 [1,0,0,1,0,0|2,0,0]=4 5501 B12R1.311 CCOC(=O)CCN1CCC1C 269982a_100000755817_100011206558 [1,0,0,1,0,0|1,0,0]=3 5502 B12R1.311 CCOC(=O)CCN1CCC1C 34a_100000755817_100000765890 [1,0,0,1,0,0|1,0,0]=3 5503 B12R1.315 CCCC(=O)CNCC1CCC1 2230a_100000738700_100000747444 [1,0,0,1,0,0|2,0,0]=4 5504 B12R1.315 CCCC(=O)CSCC1CCC1 62a_100000747444_100000763275 [1,0,0,1,0,0|2,0,0]=4 5505 B12R1.315 CCCC(=O)CSCC1CCC1 62a_100000763275_100000747444 [1,0,0,1,0,0|2,0,0]=4 5506 B12R1.315 CCNC(=O)CCNC1CCC1 2230a_100000749019_100000737597 [1,0,0,1,0,0|2,0,0]=4 5507 B12R1.315 CCNC(=O)CCNC1CCC1 270004a_100025743525_100000241760 [1,0,0,1,0,0|2,0,0]=4 5508 B12R1.315 CCNC(=O)CCNC1CCC1 34a_100025743525_100000749161 [1,0,0,1,0,0|2,0,0]=4 5509 B12R1.315 CCNC(=O)CCSC1CCC1 62a_100000737597_100000749161 [1,0,0,1,0,0|2,0,0]=4 5510 B12R1.315 CCNC(=O)CNCC1CCC1 2230a_100000738700_100000183381 [1,0,0,1,0,0|2,0,0]=4 5511 B12R1.315 CCNC(=O)CNCC1CCC1 2230a_100016988866_100000763275 [1,0,0,1,0,0|2,0,0]=4 5512 B12R1.315 CCNC(=O)CNCC1CCC1 34a_100000738700_100000183381 [1,0,0,1,0,0|2,0,0]=4 5513 B12R1.315 CCNC(=O)COCC1CCC1 34a_100000760304_100000183381 [1,0,0,1,0,0|2,0,0]=4 5514 B12R1.315 CCNC(=O)CSCC1CCC1 62a_100000183381_100000763275 [1,0,0,1,0,0|2,0,0]=4 5515 B12R1.315 CCNC(=O)CSCC1CCC1 62a_100000763275_100000183381 [1,0,0,1,0,0|2,0,0]=4 5516 B12R1.315 CCOC(=O)CCCN1CCC1 269982a_100000754969_100009991533 [1,0,0,1,0,0|1,0,0]=3 5517 B12R1.315 CCOC(=O)CCNC1CCC1 2230a_100000749019_100011206558 [1,0,0,1,0,0|1,0,0]=3 5518 B12R1.315 CCOC(=O)CCNC1CCC1 34a_100000749019_100000765890 [1,0,0,1,0,0|1,0,0]=3 5519 B12R1.315 CCOC(=O)CCNC1COC1 2230a_100016991112_100011206558 [1,0,0,1,0,0|2,0,0]=4 5520 B12R1.315 CCOC(=O)CCOC1CCC1 34a_100000748187_100000765890 [1,0,0,1,0,0|1,0,0]=3 5521 B12R1.315 CCOC(=O)CCOC1CSC1 7a_100000072292_100011206558 [1,0,0,1,0,0|2,0,0]=4 5522 B12R1.315 CCOC(=O)CCSC1CCC1 62a_100000765890_100000749161 [1,0,0,1,0,0|1,0,0]=3 5523 B12R1.315 CCOC(=O)CCSC1COC1 62a_100000765890_100009818527 [1,0,0,1,0,0|2,0,0]=4 5524 B12R1.315 CCOC(=O)CNCC1CCC1 2230a_100000738700_100000188475 [1,0,0,1,0,0|1,0,0]=3 5525 B12R1.315 CCOC(=O)CNCC1CCC1 34a_100000738700_100000188475 [1,0,0,1,0,0|1,0,0]=3 5526 B12R1.315 CCOC(=O)CNCC1COC1 2230a_100015281925_100000188475 [1,0,0,1,0,0|2,0,0]=4 5527 B12R1.315 CCOC(=O)CNCC1COC1 34a_100015281925_100000188475 [1,0,0,1,0,0|2,0,0]=4 5528 B12R1.315 CCOC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000188475 [1,0,0,1,0,0|2,0,0]=4 5529 B12R1.315 CCOC(=O)CNC[C@@H]1CCO1 34a_100020831831_100000188475 [1,0,0,1,0,0|2,0,0]=4 5530 B12R1.315 CCOC(=O)COCC1CCC1 34a_100000760304_100000188475 [1,0,0,1,0,0|1,0,0]=3 5531 B12R1.315 CCOC(=O)COCC1CCO1 34a_100000039022_100000188475 [1,0,0,1,0,0|2,0,0]=4 5532 B12R1.315 CCOC(=O)COCC1CNC1 34a_100016987283_100000188475 [1,0,0,1,0,0|2,0,0]=4 5533 B12R1.315 CCOC(=O)COCC1COC1 34a_100000060846_100000188475 [1,0,0,1,0,0|2,0,0]=4 5534 B12R1.315 CCOC(=O)CSCC1CCC1 62a_100000188475_100000763275 [1,0,0,1,0,0|1,0,0]=3 5535 B12R1.315 CCOC(=O)CSCC1CCC1 62a_100000763275_100000188475 [1,0,0,1,0,0|1,0,0]=3 5536 B12R1.315 CCOC(=O)CSCC1CCO1 62a_100000103362_100000188475 [1,0,0,1,0,0|2,0,0]=4 5537 B12R1.315 CCOC(=O)CSCC1CCO1 62a_100000188475_100000103362 [1,0,0,1,0,0|2,0,0]=4 5538 B12R1.315 CCOC(=O)CSCC1COC1 62a_100000188475_100010264016 [1,0,0,1,0,0|2,0,0]=4 5539 B12R1.315 CCOC(=O)CSCC1COC1 62a_100010264016_100000188475 [1,0,0,1,0,0|2,0,0]=4 5540 B12R1.315 CCOC(=O)NCCN1CCC1 269982a_100000754969_200011445536 [1,0,0,1,0,0|2,0,0]=4 5541 B12R1.316 CCCC(=O)C1CCCN1CC 1458a_106256033941_100000210303 [1,0,0,1,0,0|2,0,0]=4 5542 B12R1.316 CCCC(=O)N1CCCC1CC 11a_100000754278_100000211992 [1,0,0,1,0,0|2,0,0]=4 5543 B12R1.316 CCCC(=O)N1CCCC1CC 1626a_100000754278_100000211992 [1,0,0,1,0,0|2,0,0]=4 5544 B12R1.316 CCCC(=O)N1CCCC1CC 240690a_100000754278_100000211992 [1,0,0,1,0,0|2,0,0]=4 5545 B12R1.316 CCCC(=O)N1CCCC1CC 527a_100000754278_100000211992 [1,0,0,1,0,0|2,0,0]=4 5546 B12R1.316 CCNC(=O)C1CCCN1CC 240690a_100015525214_106256033941 [1,0,0,1,0,0|2,0,0]=4 5547 B12R1.316 CCNC(=O)C1CCCN1CC 527a_100015525214_106256033941 [1,0,0,1,0,0|2,0,0]=4 5548 B12R1.316 CCNC(=O)N1CCCC1CC 2708a_100015525214_100000754278 [1,0,0,1,0,0|2,0,0]=4 5549 B12R1.316 CCNC(=O)N1CCCC1CC 273464a_100015525214_100000754278 [1,0,0,1,0,0|2,0,0]=4 5550 B12R1.316 CCNC(=O)[C@@H]1CCCN1CC 2230a_100020641767_100000210202 [1,0,0,1,0,0|2,0,0]=4 5551 B12R1.316 CCNC(=O)[C@@H]1CCCN1CC 269982a_100020641767_100000204670 [1,0,0,1,0,0|2,0,0]=4 5552 B12R1.316 CCNC(=O)[C@@H]1CCCN1CC 34a_100020641767_100000210202 [1,0,0,1,0,0|2,0,0]=4 5553 B12R1.316 CCOC(=O)[C@@H]1CCCN1CC 2230a_100000703725_100000210202 [1,0,0,1,0,0|1,0,0]=3 5554 B12R1.316 CCOC(=O)[C@@H]1CCCN1CC 269982a_100000703725_100000204670 [1,0,0,1,0,0|1,0,0]=3 5555 B12R1.316 CCOC(=O)[C@@H]1CCCN1CF 269982a_100000703725_100015361967 [1,0,0,1,0,0|2,0,0]=4 5556 B12R1.316 CCOC(=O)[C@@H]1CCC[C@@H]1OC 7a_200015395474_200000210301 [1,0,0,1,0,0|1,0,0]=3 5557 B12R1.316 CCOC(=O)[C@@H]1CCC[C@@H]1O[13CH3] 7a_200015395474_200025704644 [1,0,0,1,0,0|1,0,0]=3 5558 B12R1.316 CCOC(=O)[C@@H]1CSCN1CC 269982a_100016989239_100000204670 [1,0,0,1,0,0|2,0,0]=4 5559 B12R1.318 CCCC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000747444 [1,0,0,1,0,0|2,0,0]=4 5560 B12R1.318 CCCC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000747444 [1,0,0,1,0,0|2,0,0]=4 5561 B12R1.318 CCCC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000747444 [1,0,0,1,0,0|2,0,0]=4 5562 B12R1.318 CCCC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000747444 [1,0,0,1,0,0|2,0,0]=4 5563 B12R1.318 CCNC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000183381 [1,0,0,1,0,0|2,0,0]=4 5564 B12R1.318 CCNC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000183381 [1,0,0,1,0,0|2,0,0]=4 5565 B12R1.318 CCNC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000183381 [1,0,0,1,0,0|2,0,0]=4 5566 B12R1.318 CCNC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000183381 [1,0,0,1,0,0|2,0,0]=4 5567 B12R1.318 CCNC(=O)CN1CCC[C@H]1C 34a_100015189458_100000183381 [1,0,0,1,0,0|2,0,0]=4 5568 B12R1.318 CCOC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000188475 [1,0,0,1,0,0|1,0,0]=3 5569 B12R1.318 CCOC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000188475 [1,0,0,1,0,0|1,0,0]=3 5570 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000188475 [1,0,0,1,0,0|1,0,0]=3 5571 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000188475 [1,0,0,1,0,0|1,0,0]=3 5572 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 34a_100015189458_100000188475 [1,0,0,1,0,0|1,0,0]=3 5573 B12R1.318 CCOC(=O)CN1CCSC1C 2230a_200011216479_100000188475 [1,0,0,1,0,0|2,0,0]=4 5574 B12R1.318 CCOC(=O)CN1CCSC1C 269982a_200011216479_100000188475 [1,0,0,1,0,0|2,0,0]=4 5575 B12R1.318 CCOC(=O)CN1CCSC1C 34a_200011216479_100000188475 [1,0,0,1,0,0|2,0,0]=4 5576 B12R1.348 CCCCN1CCNC(=O)CC1 2230a_100000698595_100000210211 [1,0,0,1,0,0|2,0,0]=4 5577 B12R1.348 CCCCN1CCNC(=O)CC1 269982a_100000698595_100000210211 [1,0,0,1,0,0|2,0,0]=4 5578 B12R1.372 CCCCCNC1CCCC1=O 2230a_100000209983_100000211823 [1,0,0,1,0,0|2,0,0]=4 5579 B12R1.372 CCCCCNC1CCNC1=O 2230a_100016995588_100000210326 [1,0,0,1,0,0|2,0,0]=4 5580 B12R1.372 CCCCCNC1CCNC1=O 34a_100016995588_100000718602 [1,0,0,1,0,0|2,0,0]=4 5581 B12R1.372 CCCCCNC1CCOC1=O 2230a_100000209983_100000211211 [1,0,0,1,0,0|1,0,0]=3 5582 B12R1.372 CCCCCOC1CCCC1=O 34a_100000210253_100000709159 [1,0,0,1,0,0|2,0,0]=4 5583 B12R1.372 CCCCCOC1CCCC1=O 34a_200000719330_100000718602 [1,0,0,1,0,0|2,0,0]=4 5584 B12R1.372 CCCCCOC1CCCC1=O 7a_100000210253_100000211823 [1,0,0,1,0,0|2,0,0]=4 5585 B12R1.372 CCCCCOC1CCOC1=O 34a_100000210253_100000211211 [1,0,0,1,0,0|1,0,0]=3 5586 B12R1.372 CCCCCOC1CCOC1=O 7a_100000210253_100000211211 [1,0,0,1,0,0|1,0,0]=3 5587 B12R1.372 CCCCCO[C@H]1CCNC1=O 34a_100000688343_100000718602 [1,0,0,1,0,0|2,0,0]=4 5588 B12R1.372 CCCCCSC1CCCC1=O 62a_100000210326_100000211823 [1,0,0,1,0,0|2,0,0]=4 5589 B12R1.372 CCCCCSC1CCCC1=O 62a_100000211823_100000210326 [1,0,0,1,0,0|2,0,0]=4 5590 B12R1.372 CCCCCSC1CCOC1=O 62a_100000210326_100000211211 [1,0,0,1,0,0|1,0,0]=3 5591 B12R1.372 CCCCCSC1CCOC1=O 62a_100000211211_100000210326 [1,0,0,1,0,0|1,0,0]=3 5592 B12R1.372 CCCCOCC1CCNC1=O 34a_100000133458_100000210210 [1,0,0,1,0,0|2,0,0]=4 5593 B12R1.372 CCOCCNC1CCOC1=O 2230a_102516460346_100000211211 [1,0,0,1,0,0|2,0,0]=4 5594 B12R1.372 CCOCCNC1CCOC1=O 34a_102516460346_100000211211 [1,0,0,1,0,0|2,0,0]=4 5595 B12R1.372 CCOCCOC1CCOC1=O 34a_100000210136_100000211211 [1,0,0,1,0,0|2,0,0]=4 5596 B12R1.372 CCOCCOC1CCOC1=O 7a_100000210136_100000211211 [1,0,0,1,0,0|2,0,0]=4 5597 B12R1.372 CCOCCSC1CCOC1=O 62a_100000210147_100000211211 [1,0,0,1,0,0|2,0,0]=4 5598 B12R1.372 CCOCCSC1CCOC1=O 62a_100000211211_100011215890 [1,0,0,1,0,0|2,0,0]=4 5599 B12R1.372 CCSCCNC1CCOC1=O 2230a_100000106463_100000211211 [1,0,0,1,0,0|2,0,0]=4 5600 B12R1.372 CCSCCOC1CCOC1=O 34a_100000212035_100000211211 [1,0,0,1,0,0|2,0,0]=4 5601 B12R1.372 CCSCCOC1CCOC1=O 7a_100000212035_100000211211 [1,0,0,1,0,0|2,0,0]=4 5602 B12R1.372 CCSCCSC1CCOC1=O 62a_100000211211_100000757381 [1,0,0,1,0,0|2,0,0]=4 5603 B12R1.372 CCSCCSC1CCOC1=O 62a_100000757381_100000211211 [1,0,0,1,0,0|2,0,0]=4 5604 B12R1.372 CNCCCOC1CCOC1=O 34a_100000213112_100000211211 [1,0,0,1,0,0|2,0,0]=4 5605 B12R1.372 COCCCNC1CCOC1=O 34a_100150723488_100000211211 [1,0,0,1,0,0|2,0,0]=4 5606 B12R1.372 COCCCOC1CCOC1=O 34a_100000740835_100000211211 [1,0,0,1,0,0|2,0,0]=4 5607 B12R1.372 COCCCSC1CCOC1=O 62a_100000211211_100000709357 [1,0,0,1,0,0|2,0,0]=4 5608 B12R1.372 COCCCSC1CCOC1=O 62a_100000709357_100000211211 [1,0,0,1,0,0|2,0,0]=4 5609 B12R1.372 CSCCCNC1CCOC1=O 2230a_100000749238_100000211211 [1,0,0,1,0,0|2,0,0]=4 5610 B12R1.372 CSCCCOC1CCOC1=O 34a_100000690336_100000211211 [1,0,0,1,0,0|2,0,0]=4 5611 B12R1.372 CSCCCOC1CCOC1=O 7a_100000690336_100000211211 [1,0,0,1,0,0|2,0,0]=4 5612 B12R1.372 NCCCCOC1CCOC1=O 34a_100000750430_100000211211 [1,0,0,1,0,0|2,0,0]=4 5613 B12R1.372 O=C1OCCC1NCCCCO 2230a_100000750430_100000211211 [1,0,0,1,0,0|2,0,0]=4 5614 B12R1.372 O=C1OCCC1NCCCCO 34a_100000750430_100000211211 [1,0,0,1,0,0|2,0,0]=4 5615 B12R1.372 O=C1OCCC1OCCCCBr 34a_100011216708_100000211211 [1,0,0,1,0,0|2,0,0]=4 5616 B12R1.372 O=C1OCCC1OCCCCCl 34a_100000210776_100000211211 [1,0,0,1,0,0|2,0,0]=4 5617 B12R1.372 O=C1OCCC1OCCCCCl 7a_100000210776_100000211211 [1,0,0,1,0,0|2,0,0]=4 5618 B12R1.372 O=C1OCCC1OCCCCF 34a_100011995726_100000211211 [1,0,0,1,0,0|2,0,0]=4 5619 B12R1.372 O=C1OCCC1OCCCCF 7a_100011995726_100000211211 [1,0,0,1,0,0|2,0,0]=4 5620 B12R1.372 O=C1OCCC1OCCCCI 34a_200012148704_100000211211 [1,0,0,1,0,0|2,0,0]=4 5621 B12R1.372 O=C1OCCC1SCCCCF 62a_100000211211_100000729493 [1,0,0,1,0,0|2,0,0]=4 5622 B12R1.372 O=C1OCCC1SCCCCF 62a_100000729493_100000211211 [1,0,0,1,0,0|2,0,0]=4 5623 B12R1.372 O=C1OCCC1SCCCCO 62a_100000210776_100000211211 [1,0,0,1,0,0|2,0,0]=4 5624 B12R1.372 O=C1OCCC1SCCCCO 62a_100000211211_100000210776 [1,0,0,1,0,0|2,0,0]=4 5625 B12R1.923 CCCCCCCC(=O)C1CC1 1458a_100000210395_100000210614 [1,0,0,1,0,0|1,0,0]=3 5626 B12R1.923 CCCCCCCC(=O)C1CO1 1458a_100000701028_100000210614 [1,0,0,1,0,0|2,0,0]=4 5627 B12R1.923 CCCCCCNC(=O)C1CC1 11a_100000210581_100000210395 [1,0,0,1,0,0|2,0,0]=4 5628 B12R1.923 CCCCCCNC(=O)C1CC1 1626a_100000210581_100000210395 [1,0,0,1,0,0|2,0,0]=4 5629 B12R1.923 CCCCCCNC(=O)C1CC1 240690a_100000210581_100000210395 [1,0,0,1,0,0|2,0,0]=4 5630 B12R1.923 CCCCCCNC(=O)C1CC1 527a_100000210581_100000210395 [1,0,0,1,0,0|2,0,0]=4 5631 B12R1.923 CCCCCNCC(=O)C1CC1 2230a_100000209983_100000746382 [1,0,0,1,0,0|2,0,0]=4 5632 B12R1.923 CCCCCOCC(=O)C1CC1 34a_100000210253_100000746382 [1,0,0,1,0,0|2,0,0]=4 5633 B12R1.923 CCCCCOCC(=O)C1CC1 34a_100000686663_100000718602 [1,0,0,1,0,0|2,0,0]=4 5634 B12R1.923 CCCCCOCC(=O)C1CC1 7a_100000210253_100000746382 [1,0,0,1,0,0|2,0,0]=4 5635 B12R1.923 CCCCCSCC(=O)C1CC1 62a_100000210326_100000746382 [1,0,0,1,0,0|2,0,0]=4 5636 B12R1.923 CCCCCSCC(=O)C1CC1 62a_100000746382_100000210326 [1,0,0,1,0,0|2,0,0]=4 5637 B12R1.923 CCCCOCCC(=O)C1CC1 1458a_100000210395_100000743108 [1,0,0,1,0,0|2,0,0]=4 5638 B12R1.923 O=C(CCCCCCF)C1CC1 1458a_100000210395_100015922095 [1,0,0,1,0,0|2,0,0]=4 5639 B12R1.923 O=C(CCCCCCO)C1CC1 1458a_100000210395_100000766143 [1,0,0,1,0,0|2,0,0]=4 5640 B12R1.1505 CCCC(=O)COCC1CC1C 7a_100000744939_100000747444 [1,0,0,1,0,0|2,0,0]=4 5641 B12R1.1505 CCNC(=O)COCC1CC1C 34a_100000744939_100000183381 [1,0,0,1,0,0|2,0,0]=4 5642 B12R1.1505 CCNC(=O)COCC1CC1C 7a_100000744939_100000183381 [1,0,0,1,0,0|2,0,0]=4 5643 B12R1.1505 CCOC(=O)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011206558 [1,0,0,1,0,0|2,0,0]=4 5644 B12R1.1505 CCOC(=O)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100011206558 [1,0,0,1,0,0|2,0,0]=4 5645 B12R1.1505 CCOC(=O)CCN[C@@H]1C[C@H]1F 34a_100025746932_100000765890 [1,0,0,1,0,0|2,0,0]=4 5646 B12R1.1505 CCOC(=O)COCC1CC1C 34a_100000744939_100000188475 [1,0,0,1,0,0|1,0,0]=3 5647 B12R1.1505 CCOC(=O)COCC1CC1C 7a_100000744939_100000188475 [1,0,0,1,0,0|1,0,0]=3 5648 B12R1.1564 CC#CC(=O)C1CCCCCC1 1458a_100000763181_100011217769 [1,0,0,1,0,0|1,0,1]=4 5649 B12R1.1564 CC=CC(=O)C1CCCCCC1 1458a_100000210699_100011217769 [1,0,0,1,0,0|1,0,1]=4 5650 B12R1.1564 CCCC(=O)C1CCCCCC1 1458a_100000211992_100011217769 [1,0,0,1,0,0|1,0,0]=3 5651 B12R1.1564 CCCC(=O)C1CCCCCC1 1458a_100000749507_100000210303 [1,0,0,1,0,0|1,0,0]=3 5652 B12R1.1564 CCCC(=O)N1CCCCCC1 11a_100000185865_100000211992 [1,0,0,1,0,0|2,0,0]=4 5653 B12R1.1564 CCCC(=O)N1CCCCCC1 1626a_100000185865_100000211992 [1,0,0,1,0,0|2,0,0]=4 5654 B12R1.1564 CCCC(=O)N1CCCCCC1 240690a_100000185865_100000211992 [1,0,0,1,0,0|2,0,0]=4 5655 B12R1.1564 CCCC(=O)N1CCCCCC1 527a_100000185865_100000211992 [1,0,0,1,0,0|2,0,0]=4 5656 B12R1.1564 CCNC(=O)C1CCCCCC1 11a_100015525214_100000749507 [1,0,0,1,0,0|1,0,0]=3 5657 B12R1.1564 CCNC(=O)C1CCCCCC1 240690a_100015525214_100000749507 [1,0,0,1,0,0|1,0,0]=3 5658 B12R1.1564 CCNC(=O)C1CCCCCC1 527a_100015525214_100000749507 [1,0,0,1,0,0|1,0,0]=3 5659 B12R1.1564 CCNC(=O)N1CCCCCC1 2708a_100015525214_100000185865 [1,0,0,1,0,0|2,0,0]=4 5660 B12R1.1564 CCNC(=O)N1CCCCCC1 273464a_100015525214_100000185865 [1,0,0,1,0,0|2,0,0]=4 5661 B12R1.1564 CNNC(=O)C1CCCCCC1 22a_100016993582_100000749507 [1,0,0,1,0,0|2,0,0]=4 5662 B12R1.1564 COCC(=O)C1CCCCCC1 1458a_100000210968_100011217769 [1,0,0,1,0,0|2,0,0]=4 5663 B12R1.1564 CSCC(=O)C1CCCCCC1 1458a_100000184570_100011217769 [1,0,0,1,0,0|2,0,0]=4 5664 B12R1.1564 O=C(CCF)C1CCCCCC1 1458a_100000749507_100011217306 [1,0,0,1,0,0|2,0,0]=4 5665 B12R1.1564 O=C(CCO)C1CCCCCC1 1458a_100000749507_100000211926 [1,0,0,1,0,0|2,0,0]=4 5666 B12R1.1564 O=C(CCO)C1CCCCCC1 1458a_100011216618_100011217769 [1,0,0,1,0,0|2,0,0]=4 5667 B12R1.31 CCOC(=O)CN1CC[C@H](C1)C 2230a_100016987628_100000188475 [1,0,0,1,0,0|2,0,0]=4 5668 B12R1.31 CCOC(=O)CN1CC[C@H](C1)C 269982a_100016987628_100000188475 [1,0,0,1,0,0|2,0,0]=4 5669 B12R1.31 CCOC(=O)CN1CC[C@H](C1)C 34a_100016987628_100000188475 [1,0,0,1,0,0|2,0,0]=4 5670 B12R1.31 CCOC(=O)C[C@H]1CCN(C1)C 2230a_106256037354_200000210301 [1,0,0,1,0,0|2,0,0]=4 5671 B12R1.31 CCOC(=O)C[C@H]1CCN(C1)C 269982a_106256037354_200000210301 [1,0,0,1,0,0|2,0,0]=4 5672 B12R1.31 CCOC(=O)C[C@H]1CCN(C1)[13CH3] 2230a_106256037354_200025704644 [1,0,0,1,0,0|2,0,0]=4 5673 B12R1.31 CCOC(=O)C[C@H]1CCN(C1)[13CH3] 269982a_106256037354_200025704644 [1,0,0,1,0,0|2,0,0]=4 5674 B12R1.460 CCCCC(=O)C1CCOC1=O 1458a_100000210183_100000211211 [1,0,0,1,0,0|0,0,2]=4 5675 B12R1.460 CCCCN(C)C1CCOC1=O 2230a_100000207549_100000211211 [1,0,0,1,0,0|2,0,0]=4 5676 B12R1.460 CCCCN(C)C1CCOC1=O 269982a_100000207549_100000211211 [1,0,0,1,0,0|2,0,0]=4 5677 B12R1.519 CCOC(=O)CC(=O)C1CCC1 1458a_100000209988_100000188475 [1,0,0,1,0,0|0,0,2]=4 5678 B12R1.519 CCOC(=O)CC(=O)C1CCC1 1458a_100000243816_100000749161 [1,0,0,1,0,0|0,0,2]=4 5679 B12R1.519 CCOC(=O)CC(C)N1CCC1 269982a_100000754969_100009817359 [1,0,0,1,0,0|2,0,0]=4 5680 B12R1.519 CCOC(=O)CN(C)C1CCC1 2230a_100000758072_100000188475 [1,0,0,1,0,0|2,0,0]=4 5681 B12R1.519 CCOC(=O)CN(C)C1CCC1 269982a_100000758072_100000188475 [1,0,0,1,0,0|2,0,0]=4 5682 B12R1.519 CCOC(=O)CN(C)C1CCC1 270004a_100000220588_100000241760 [1,0,0,1,0,0|2,0,0]=4 5683 B12R1.519 CCOC(=O)CN(C)C1CCC1 34a_100000758072_100000188475 [1,0,0,1,0,0|2,0,0]=4 5684 B12R1.521 CCOC(=O)CC(=O)CC1CC1 1458a_100000243816_100000742324 [1,0,0,1,0,0|0,0,2]=4 5685 B12R1.521 CCOC(=O)CC(=O)CC1CC1 1458a_100000738066_100000188475 [1,0,0,1,0,0|0,0,2]=4 5686 B12R1.521 CCOC(=O)CC(C)SC1CC1 62a_100009817359_100000211595 [1,0,0,1,0,0|2,0,0]=4 5687 B12R1.521 CCOC(=O)CN(C)CC1CC1 2230a_100000220588_100000742324 [1,0,0,1,0,0|2,0,0]=4 5688 B12R1.521 CCOC(=O)CN(C)CC1CC1 2230a_100000741881_100000188475 [1,0,0,1,0,0|2,0,0]=4 5689 B12R1.521 CCOC(=O)CN(C)CC1CC1 269982a_100000741881_100000188475 [1,0,0,1,0,0|2,0,0]=4 5690 B12R1.1621 CCOC(=O)CC1CC(C1)OC 7a_100010742785_200000210301 [1,0,0,1,0,0|2,0,0]=4 5691 B12R1.1621 CCOC(=O)CC1CC(C1)O[13CH3] 7a_100010742785_200025704644 [1,0,0,1,0,0|2,0,0]=4 5692 B12R1.1621 CCOC(=O)CN1CC(C1)CC 2230a_100015205115_100000188475 [1,0,0,1,0,0|2,0,0]=4 5693 B12R1.1621 CCOC(=O)CN1CC(C1)CC 269982a_100015205115_100000188475 [1,0,0,1,0,0|2,0,0]=4 5694 B12R1.3418 CCOC(=O)CC(=O)C1CC1C 1458a_100000211227_100000188475 [1,0,0,1,0,0|0,0,2]=4 5695 B12R1.1997 CCCNCC1(CCCCC1)O 2230a_100000748649_100000210303 [1,0,0,1,0,0|2,0,0]=4 5696 B12R1.1997 CCCNCC1(CCCCC1)O 34a_100000748649_100000210303 [1,0,0,1,0,0|2,0,0]=4 5697 B12R1.1997 CCCNCC1(CCOCC1)O 2230a_100000704115_100000210303 [1,0,0,1,0,0|1,0,1]=4 5698 B12R1.1997 CCCNCC1(CCOCC1)O 34a_100000704115_100000210303 [1,0,0,1,0,0|1,0,1]=4 5699 B12R1.1997 CCNCCC1(CCCCC1)O 2230a_100102740465_100000210202 [1,0,0,1,0,0|1,0,1]=4 5700 B12R1.1997 CCNCCC1(CCCCC1)O 34a_100102740465_100000210202 [1,0,0,1,0,0|1,0,1]=4 5701 B12R1.15 CCC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000747405 [1,0,0,1,0,0|0,0,2]=4 5702 B12R1.15 CCC(=O)CC(C)N1CCCC1 1458a_100000210414_200015187269 [1,0,0,1,0,0|2,0,0]=4 5703 B12R1.15 CCC(=O)CN(C)C1CCCC1 1458a_100073796569_100000210202 [1,0,0,1,0,0|2,0,0]=4 5704 B12R1.15 CCC(=O)CN(C)C1CCCC1 269982a_100000207505_100000747405 [1,0,0,1,0,0|2,0,0]=4 5705 B12R1.15 CCC(=O)NC(C)C1CCCC1 11a_100015185923_100000210414 [1,0,0,1,0,0|2,0,0]=4 5706 B12R1.15 CCC(=O)NC(C)C1CCCC1 1626a_100015185923_100000210414 [1,0,0,1,0,0|2,0,0]=4 5707 B12R1.15 CCC(=O)NC(C)C1CCCC1 240690a_100015185923_100000210414 [1,0,0,1,0,0|2,0,0]=4 5708 B12R1.15 CCC(=O)NC(C)C1CCCC1 527a_100015185923_100000210414 [1,0,0,1,0,0|2,0,0]=4 5709 B12R1.15 COC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000747449 [1,0,0,1,0,0|0,0,2]=4 5710 B12R1.15 COC(=O)CC(=O)C1CCCC1 1458a_100000211351_100000179811 [1,0,0,1,0,0|0,0,2]=4 5711 B12R1.15 COC(=O)CC(C)N1CCCC1 2230a_100000188435_100009817358 [1,0,0,1,0,0|2,0,0]=4 5712 B12R1.15 COC(=O)CC(C)N1CCCC1 269982a_100000188435_100009817358 [1,0,0,1,0,0|2,0,0]=4 5713 B12R1.15 COC(=O)CN(C)C1CCCC1 2230a_100000198492_100000179811 [1,0,0,1,0,0|2,0,0]=4 5714 B12R1.15 COC(=O)CN(C)C1CCCC1 2230a_100000207505_100000747449 [1,0,0,1,0,0|2,0,0]=4 5715 B12R1.15 COC(=O)CN(C)C1CCCC1 2230a_100000220824_200000210301 [1,0,0,1,0,0|2,0,0]=4 5716 B12R1.15 COC(=O)CN(C)C1CCCC1 269982a_100000207505_100000747449 [1,0,0,1,0,0|2,0,0]=4 5717 B12R1.15 COC(=O)CN(C)C1CCCC1 270004a_100000198492_100000210133 [1,0,0,1,0,0|2,0,0]=4 5718 B12R1.15 COC(=O)CN(C)C1CCCC1 34a_100000207505_100000747449 [1,0,0,1,0,0|2,0,0]=4 5719 B12R1.15 COC(=O)CN(C)C1CCCC1 34a_100000220824_200000210301 [1,0,0,1,0,0|2,0,0]=4 5720 B12R1.15 COC(=O)CN([13CH3])C1CCCC1 2230a_100000220824_200025704644 [1,0,0,1,0,0|2,0,0]=4 5721 B12R1.15 COC(=O)CN([13CH3])C1CCCC1 34a_100000220824_200025704644 [1,0,0,1,0,0|2,0,0]=4 5722 B12R1.50 CC1CCCC(C1)CC(=O)CF 1458a_100000748788_100015361967 [1,0,0,1,0,0|2,0,0]=4 5723 B12R1.50 CCC(=O)CC1CCCC(C1)C 1458a_100000748788_100000210202 [1,0,0,1,0,0|1,0,0]=3 5724 B12R1.50 CCC(=O)CC1CCCN(C1)C 1458a_100000210414_100015183302 [1,0,0,1,0,0|2,0,0]=4 5725 B12R1.50 CCC(=O)CN1CCC[C@@H](C1)C 269982a_100000717927_100000747405 [1,0,0,1,0,0|2,0,0]=4 5726 B12R1.50 CCC(=O)NC1CCCC(C1)C 11a_100011194320_100000210414 [1,0,0,1,0,0|2,0,0]=4 5727 B12R1.50 CCC(=O)NC1CCCC(C1)C 1626a_100011194320_100000210414 [1,0,0,1,0,0|2,0,0]=4 5728 B12R1.50 CCC(=O)NC1CCCC(C1)C 240690a_100011194320_100000210414 [1,0,0,1,0,0|2,0,0]=4 5729 B12R1.50 CCC(=O)NC1CCCC(C1)C 527a_100011194320_100000210414 [1,0,0,1,0,0|2,0,0]=4 5730 B12R1.50 CNC(=O)CC1CCCC(C1)C 11a_106832991635_100000748788 [1,0,0,1,0,0|2,0,0]=4 5731 B12R1.50 CNC(=O)CC1CCCC(C1)C 1626a_100102657272_100000748788 [1,0,0,1,0,0|2,0,0]=4 5732 B12R1.50 CNC(=O)CC1CCCC(C1)C 240690a_100102657272_100000748788 [1,0,0,1,0,0|2,0,0]=4 5733 B12R1.50 CNC(=O)CC1CCCC(C1)C 527a_100102657272_100000748788 [1,0,0,1,0,0|2,0,0]=4 5734 B12R1.50 COC(=O)CC1CCCN(C1)C 2230a_100016989293_200000210301 [1,0,0,1,0,0|2,0,0]=4 5735 B12R1.50 COC(=O)CC1CCCN(C1)C 269982a_100016989293_200000210301 [1,0,0,1,0,0|2,0,0]=4 5736 B12R1.50 COC(=O)CC1CCCN(C1)[13CH3] 2230a_100016989293_200025704644 [1,0,0,1,0,0|2,0,0]=4 5737 B12R1.50 COC(=O)CC1CCCN(C1)[13CH3] 269982a_100016989293_200025704644 [1,0,0,1,0,0|2,0,0]=4 5738 B12R1.50 COC(=O)CN1CCC[C@@H](C1)C 2230a_100000717927_100000747449 [1,0,0,1,0,0|2,0,0]=4 5739 B12R1.50 COC(=O)CN1CCC[C@@H](C1)C 269982a_100000717927_100000747449 [1,0,0,1,0,0|2,0,0]=4 5740 B12R1.50 COC(=O)CN1CCC[C@@H](C1)C 34a_100000717927_100000747449 [1,0,0,1,0,0|2,0,0]=4 5741 B12R1.61 CCC(=O)CC1CCN(C1)CC 1458a_100000210414_100015184589 [1,0,0,1,0,0|2,0,0]=4 5742 B12R1.61 CCN1CC[C@@H](C1)CC(=O)OC 2230a_100020634416_100000210202 [1,0,0,1,0,0|2,0,0]=4 5743 B12R1.61 CCN1CC[C@@H](C1)CC(=O)OC 269982a_100020634416_100000204670 [1,0,0,1,0,0|2,0,0]=4 5744 B12R1.177 CCCN1CC(C1)CC(=O)OC 269982a_100016993681_100000210303 [1,0,0,1,0,0|2,0,0]=4 5745 B12R1.304 CCC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000747405 [1,0,0,1,0,0|0,0,2]=4 5746 B12R1.304 CCC(=O)CN(C)CC1CCC1 269982a_200000750244_100000747405 [1,0,0,1,0,0|2,0,0]=4 5747 B12R1.304 COC(=O)CC(=O)CC1CCC1 1458a_100000211351_100000763275 [1,0,0,1,0,0|0,0,2]=4 5748 B12R1.304 COC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000747449 [1,0,0,1,0,0|0,0,2]=4 5749 B12R1.304 COC(=O)CC(C)NC1CCC1 2230a_100000749019_100009817358 [1,0,0,1,0,0|2,0,0]=4 5750 B12R1.304 COC(=O)CC(C)NC1CCC1 34a_100000749019_100009817358 [1,0,0,1,0,0|2,0,0]=4 5751 B12R1.304 COC(=O)CC(C)OC1CCC1 34a_100000748187_100009817358 [1,0,0,1,0,0|2,0,0]=4 5752 B12R1.304 COC(=O)CC(C)SC1CCC1 62a_100009817358_100000749161 [1,0,0,1,0,0|2,0,0]=4 5753 B12R1.304 COC(=O)CN(C)CC1CCC1 2230a_100000198492_100000763275 [1,0,0,1,0,0|2,0,0]=4 5754 B12R1.304 COC(=O)CN(C)CC1CCC1 2230a_200000750244_100000747449 [1,0,0,1,0,0|2,0,0]=4 5755 B12R1.304 COC(=O)CN(C)CC1CCC1 269982a_200000750244_100000747449 [1,0,0,1,0,0|2,0,0]=4 5756 B12R1.304 COC(=O)CN(C)CC1CCC1 34a_200000750244_100000747449 [1,0,0,1,0,0|2,0,0]=4 5757 B12R1.305 CCC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000747405 [1,0,0,1,0,0|0,0,2]=4 5758 B12R1.305 COC(=O)CC(=O)CCC1CC1 1458a_100000211351_100000694398 [1,0,0,1,0,0|0,0,2]=4 5759 B12R1.305 COC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000747449 [1,0,0,1,0,0|0,0,2]=4 5760 B12R1.305 COC(=O)CC(C)NCC1CC1 2230a_100000735609_100009817358 [1,0,0,1,0,0|2,0,0]=4 5761 B12R1.305 COC(=O)CC(C)NCC1CC1 34a_100000735609_100009817358 [1,0,0,1,0,0|2,0,0]=4 5762 B12R1.305 COC(=O)CC(C)OCC1CC1 34a_100000211283_100009817358 [1,0,0,1,0,0|2,0,0]=4 5763 B12R1.305 COC(=O)CC(C)SCC1CC1 62a_100000756562_100009817358 [1,0,0,1,0,0|2,0,0]=4 5764 B12R1.305 COC(=O)CC(C)SCC1CC1 62a_100009817358_100000742324 [1,0,0,1,0,0|2,0,0]=4 5765 B12R1.305 COC(=O)CN(C)CCC1CC1 2230a_100000198492_100000694398 [1,0,0,1,0,0|2,0,0]=4 5766 B12R1.305 COC(=O)C[C@@H](O)CNC1CC1 34a_100000212008_100000754131 [1,0,0,1,0,0|1,0,0]=3 5767 B12R1.305 COC(=O)C[C@@H](O)CSC1CC1 62a_100000754131_100000211595 [1,0,0,1,0,0|1,0,0]=3 5768 B12R1.306 COC(=O)CC(C)N1CCC1C 269982a_100000755817_100009817358 [1,0,0,1,0,0|2,0,0]=4 5769 B12R1.306 COC(=O)CC(C)N1CCC1C 34a_100000755817_100009817358 [1,0,0,1,0,0|2,0,0]=4 5770 B12R1.365 CCC(=O)C1CCCCCC1=O 1458a_100000210414_100000243696 [1,0,0,1,0,0|0,0,2]=4 5771 B12R1.365 CCC(=O)C1CCCCCN1C 1458a_100015187800_100000210202 [1,0,0,1,0,0|2,0,0]=4 5772 B12R1.1412 CCCCCN1CC1C(=O)OC 2230a_200009830135_100000210326 [1,0,0,1,0,0|2,0,0]=4 5773 B12R1.1748 CCC(=O)CC1CCCCCC1 1458a_100000210414_200000696569 [1,0,0,1,0,0|1,0,0]=3 5774 B12R1.1748 CCC(=O)CC1CCCCCC1 1458a_100000685095_100000210202 [1,0,0,1,0,0|1,0,0]=3 5775 B12R1.1748 CCC(=O)CN1CCCCCC1 1458a_100000740298_100000210202 [1,0,0,1,0,0|2,0,0]=4 5776 B12R1.1748 CCC(=O)CN1CCCCCC1 269982a_100000185865_100000747405 [1,0,0,1,0,0|2,0,0]=4 5777 B12R1.1748 CCC(=O)NC1CCCCCC1 11a_100000210984_100000210414 [1,0,0,1,0,0|2,0,0]=4 5778 B12R1.1748 CCC(=O)NC1CCCCCC1 1626a_100000210984_100000210414 [1,0,0,1,0,0|2,0,0]=4 5779 B12R1.1748 CCC(=O)NC1CCCCCC1 240690a_100000210984_100000210414 [1,0,0,1,0,0|2,0,0]=4 5780 B12R1.1748 CCC(=O)NC1CCCCCC1 527a_100000210984_100000210414 [1,0,0,1,0,0|2,0,0]=4 5781 B12R1.1748 CNC(=O)CC1CCCCCC1 11a_106832991635_100000685095 [1,0,0,1,0,0|2,0,0]=4 5782 B12R1.1748 CNC(=O)CC1CCCCCC1 1626a_100102657272_100000685095 [1,0,0,1,0,0|2,0,0]=4 5783 B12R1.1748 CNC(=O)CC1CCCCCC1 240690a_100102657272_100000685095 [1,0,0,1,0,0|2,0,0]=4 5784 B12R1.1748 CNC(=O)CC1CCCCCC1 527a_100102657272_100000685095 [1,0,0,1,0,0|2,0,0]=4 5785 B12R1.1748 COC(=O)CN1CCCCCC1 2230a_100000185865_100000747449 [1,0,0,1,0,0|2,0,0]=4 5786 B12R1.1748 COC(=O)CN1CCCCCC1 269982a_100000185865_100000747449 [1,0,0,1,0,0|2,0,0]=4 5787 B12R1.1748 COC(=O)CN1CCCCCC1 34a_100000185865_100000747449 [1,0,0,1,0,0|2,0,0]=4 5788 B12R1.1748 O=C(CF)CC1CCCCCC1 1458a_100000685095_100015361967 [1,0,0,1,0,0|2,0,0]=4 5789 B12R1.1748 O=C(CO)CC1CCCCCC1 1458a_100000210174_200000696569 [1,0,0,1,0,0|2,0,0]=4 5790 B12R1.1940 CCC(=O)CC(=O)C1CC1CC 1458a_200011661523_100000747405 [1,0,0,1,0,0|0,0,2]=4 5791 B12R1.1940 CCC1CC1C(=O)CC(=O)OC 1458a_200011661523_100000747449 [1,0,0,1,0,0|0,0,2]=4 5792 B12R1.3441 CCC(=O)N1C(CCCC1C)C 11a_100000210447_100000210414 [1,0,0,1,0,0|2,0,0]=4 5793 B12R1.3441 CCC(=O)N1C(CCCC1C)C 240690a_100000210447_100000210414 [1,0,0,1,0,0|2,0,0]=4 5794 B12R1.3524 CCC(=O)CC1(CCCCC1)O 1458a_100000755886_100000210202 [1,0,0,1,0,0|0,0,0]=2 5795 B12R1.3524 CCC(=O)NC1(CCCCC1)C 11a_100000741114_100000210414 [1,0,0,1,0,0|2,0,0]=4 5796 B12R1.3524 CCC(=O)NC1(CCCCC1)C 1626a_100000741114_100000210414 [1,0,0,1,0,0|2,0,0]=4 5797 B12R1.3524 CCC(=O)NC1(CCCCC1)C 240690a_100000741114_100000210414 [1,0,0,1,0,0|2,0,0]=4 5798 B12R1.3524 CCC(=O)NC1(CCCCC1)C 527a_100000741114_100000210414 [1,0,0,1,0,0|2,0,0]=4 5799 B12R1.3524 CNC(=O)CC1(CCCCC1)O 240690a_100102657272_100000755886 [1,0,0,1,0,0|1,0,0]=3 5800 B12R1.3524 CNC(=O)CC1(CCCCC1)O 527a_100102657272_100000755886 [1,0,0,1,0,0|1,0,0]=3 5801 B12R1.3524 O=C(CF)CC1(CCCCC1)O 1458a_100000755886_100015361967 [1,0,0,1,0,0|1,0,0]=3 5802 B12R1.17 CCCC(=O)C1CCCC(C1)C 1458a_100011215569_100000210303 [0,0,0,1,1,0|2,0,0]=4 5803 B12R1.17 CCNC(=O)C1CCCC(C1)C 11a_100015525214_100011215569 [0,0,0,1,1,0|2,0,0]=4 5804 B12R1.17 CCNC(=O)C1CCCC(C1)C 240690a_100015525214_100011215569 [0,0,0,1,1,0|2,0,0]=4 5805 B12R1.17 CCNC(=O)C1CCCC(C1)C 527a_100015525214_100011215569 [0,0,0,1,1,0|2,0,0]=4 5806 B12R1.17 CCOC(=O)[C@H]1CCCN(C1)C 2230a_100000759086_200000210301 [0,0,0,1,1,0|2,0,0]=4 5807 B12R1.17 CCOC(=O)[C@H]1CCCN(C1)C 269982a_100000759086_200000210301 [0,0,0,1,1,0|2,0,0]=4 5808 B12R1.17 CCOC(=O)[C@H]1CCCN(C1)[13CH3] 2230a_100000759086_200025704644 [0,0,0,1,1,0|2,0,0]=4 5809 B12R1.17 CCOC(=O)[C@H]1CCCN(C1)[13CH3] 269982a_100000759086_200025704644 [0,0,0,1,1,0|2,0,0]=4 5810 B12R1.55 CCOC(=O)C(C)N1CCCC1 2230a_100000188435_100011215307 [0,0,0,1,1,0|2,0,0]=4 5811 B12R1.55 CCOC(=O)C(C)N1CCCC1 269982a_100000188435_100011216346 [0,0,0,1,1,0|2,0,0]=4 5812 B12R1.55 CCOC(=O)C(F)N1CCCC1 2230a_100000188435_100000760018 [0,0,0,1,1,0|2,0,0]=4 5813 B12R1.55 CCOC(=O)C(F)N1CCCC1 269982a_100000188435_100000760018 [0,0,0,1,1,0|2,0,0]=4 5814 B12R1.178 CCCN1CC(C1)C(=O)OCC 269982a_100015188541_100000210303 [0,0,0,1,1,0|2,0,0]=4 5815 B12R1.178 CCOC(=O)C1CC(C1)OCC 7a_100000093532_100000210202 [0,0,0,1,1,0|2,0,0]=4 5816 B12R1.312 CCOC(=O)C1CCC(C1)NC 270004a_106832991635_100000077466 [0,0,0,1,1,0|2,0,0]=4 5817 B12R1.312 CCOC(=O)C1CCN(C1)CC 2230a_100016987290_100000210202 [0,0,0,1,1,0|2,0,0]=4 5818 B12R1.312 CCOC(=O)C1CCN(C1)CC 269982a_100016987290_100000204670 [0,0,0,1,1,0|2,0,0]=4 5819 B12R1.555 CCOC(=O)C(C)NC1CCC1 2230a_100000749019_100011215307 [0,0,0,1,1,0|2,0,0]=4 5820 B12R1.555 CCOC(=O)C(C)NC1CCC1 34a_100000749019_100011216346 [0,0,0,1,1,0|2,0,0]=4 5821 B12R1.555 CCOC(=O)C(C)OC1CCC1 34a_100000748187_100011216346 [0,0,0,1,1,0|2,0,0]=4 5822 B12R1.555 CCOC(=O)C(C)SC1CCC1 62a_100011216346_100000749161 [0,0,0,1,1,0|2,0,0]=4 5823 B12R1.555 CCOC(=O)C(F)NC1CCC1 2230a_100000749019_100000760018 [0,0,0,1,1,0|2,0,0]=4 5824 B12R1.555 CCOC(=O)C(F)NC1CCC1 34a_100000749019_100000760018 [0,0,0,1,1,0|2,0,0]=4 5825 B12R1.555 CCOC(=O)C(F)OC1CCC1 34a_100000748187_100000760018 [0,0,0,1,1,0|2,0,0]=4 5826 B12R1.555 CCOC(=O)C(F)SC1CCC1 62a_100000760018_100000749161 [0,0,0,1,1,0|2,0,0]=4 5827 B12R1.556 CCOC(=O)C(C)NCC1CC1 2230a_100000735609_100011215307 [0,0,0,1,1,0|2,0,0]=4 5828 B12R1.556 CCOC(=O)C(C)NCC1CC1 34a_100000735609_100011216346 [0,0,0,1,1,0|2,0,0]=4 5829 B12R1.556 CCOC(=O)C(C)OCC1CC1 34a_100000211283_100011216346 [0,0,0,1,1,0|2,0,0]=4 5830 B12R1.556 CCOC(=O)C(C)SCC1CC1 62a_100000756562_100011216346 [0,0,0,1,1,0|2,0,0]=4 5831 B12R1.556 CCOC(=O)C(C)SCC1CC1 62a_100011216346_100000742324 [0,0,0,1,1,0|2,0,0]=4 5832 B12R1.556 CCOC(=O)C(F)NCC1CC1 2230a_100000735609_100000760018 [0,0,0,1,1,0|2,0,0]=4 5833 B12R1.556 CCOC(=O)C(F)NCC1CC1 34a_100000735609_100000760018 [0,0,0,1,1,0|2,0,0]=4 5834 B12R1.556 CCOC(=O)C(F)OCC1CC1 34a_100000211283_100000760018 [0,0,0,1,1,0|2,0,0]=4 5835 B12R1.556 CCOC(=O)C(F)SCC1CC1 62a_100000756562_100000760018 [0,0,0,1,1,0|2,0,0]=4 5836 B12R1.556 CCOC(=O)C(F)SCC1CC1 62a_100000760018_100000742324 [0,0,0,1,1,0|2,0,0]=4 5837 B12R1.556 CCOC(=O)[C@H](C)OCC1CC1 7a_100000751109_100000742324 [0,0,0,1,1,0|2,0,0]=4 5838 B12R1.557 CCOC(=O)C(C)N1CCC1C 269982a_100000755817_100011216346 [0,0,0,1,1,0|2,0,0]=4 5839 B12R1.557 CCOC(=O)C(C)N1CCC1C 34a_100000755817_100011216346 [0,0,0,1,1,0|2,0,0]=4 5840 B12R1.557 CCOC(=O)C(F)N1CCC1C 269982a_100000755817_100000760018 [0,0,0,1,1,0|2,0,0]=4 5841 B12R1.557 CCOC(=O)C(F)N1CCC1C 34a_100000755817_100000760018 [0,0,0,1,1,0|2,0,0]=4 5842 B12R1.689 CCCCCC(C)C(=O)C1CC1 1458a_100000210395_200011218191 [0,0,0,1,1,0|2,0,0]=4 5843 B12R1.1595 CCCC(=O)C1(CCCCC1)C 1458a_100000762840_100000210303 [0,0,0,1,1,0|2,0,0]=4 5844 B12R1.1595 CCCC(=O)C1(CCCCC1)F 1458a_100000069003_100000210303 [0,0,0,1,1,0|2,0,0]=4 5845 B12R1.1595 CCCC(=O)C1(CCCCC1)O 1458a_100000242742_100000210303 [0,0,0,1,1,0|1,0,0]=3 5846 B12R1.1595 CCCC(=O)C1(CCOCC1)O 1458a_100000751969_100000210303 [0,0,0,1,1,0|2,0,0]=4 5847 B12R1.1595 CCNC(=O)C1(CCCCC1)C 11a_100015525214_100000762840 [0,0,0,1,1,0|2,0,0]=4 5848 B12R1.1595 CCNC(=O)C1(CCCCC1)C 240690a_100015525214_100000762840 [0,0,0,1,1,0|2,0,0]=4 5849 B12R1.1595 CCNC(=O)C1(CCCCC1)C 527a_100015525214_100000762840 [0,0,0,1,1,0|2,0,0]=4 5850 B12R1.1595 CCNC(=O)C1(CCCCC1)F 11a_100015525214_100000069003 [0,0,0,1,1,0|2,0,0]=4 5851 B12R1.1595 CCNC(=O)C1(CCCCC1)F 240690a_100015525214_100000069003 [0,0,0,1,1,0|2,0,0]=4 5852 B12R1.1595 CCNC(=O)C1(CCCCC1)F 527a_100015525214_100000069003 [0,0,0,1,1,0|2,0,0]=4 5853 B12R1.1595 CCNC(=O)C1(CCCCC1)O 240690a_100015525214_100000242742 [0,0,0,1,1,0|1,0,0]=3 5854 B12R1.1595 CCNC(=O)C1(CCOCC1)O 240690a_100015525214_100000751969 [0,0,0,1,1,0|2,0,0]=4 5855 B12R1.1595 CNNC(=O)C1(CCCCC1)O 22a_100016993582_100000242742 [0,0,0,1,1,0|2,0,0]=4 5856 B12R1.1595 O=C(CCF)C1(CCCCC1)O 1458a_100000242742_100011217306 [0,0,0,1,1,0|2,0,0]=4 5857 B12R1.1595 O=C(CCO)C1(CCCCC1)O 1458a_100000242742_100000211926 [0,0,0,1,1,0|2,0,0]=4 5858 B14R1.20 CCCCCC(=O)N1CCOC(=O)C1 11a_100000131268_100000212188 [0,0,0,1,0,1|0,0,2]=4 5859 B14R1.20 CCCCCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000212188 [0,0,0,1,0,1|0,0,2]=4 5860 B14R1.20 CCCCCC(=O)N1CCOC(=O)C1 527a_100000131268_100000212188 [0,0,0,1,0,1|0,0,2]=4 5861 B14R1.20 CCCCCC(C)N1CCNC(=O)C1 2230a_100000184651_200011218191 [0,0,0,1,0,1|2,0,0]=4 5862 B14R1.20 CCCCCC(C)N1CCNC(=O)C1 270004a_100000184651_100000211708 [0,0,0,1,0,1|2,0,0]=4 5863 B14R1.20 CCCCCC(C)N1CCOC(=O)C1 2230a_100000131268_200011218191 [0,0,0,1,0,1|1,0,0]=3 5864 B14R1.20 CCCCCC(C)N1CCOC(=O)C1 270004a_100000131268_100000211708 [0,0,0,1,0,1|1,0,0]=3 5865 B14R1.20 CCCSCC(C)N1CCOC(=O)C1 270004a_100000131268_100011343953 [0,0,0,1,0,1|2,0,0]=4 5866 B14R1.20 CCOCCC(C)N1CCOC(=O)C1 270004a_100000131268_200011216536 [0,0,0,1,0,1|2,0,0]=4 5867 B14R1.20 CSCCCC(C)N1CCOC(=O)C1 270004a_100000131268_100011399439 [0,0,0,1,0,1|2,0,0]=4 5868 B14R1.32 CCCC(=O)CNC1CCCC(C1)C 2230a_100011194320_100000747444 [0,0,0,1,0,1|2,0,0]=4 5869 B14R1.32 CCNC(=O)CNC1CCCC(C1)C 2230a_100011194320_100000183381 [0,0,0,1,0,1|2,0,0]=4 5870 B14R1.32 CCNC(=O)CNC1CCCC(C1)C 270004a_100016988866_100000183594 [0,0,0,1,0,1|2,0,0]=4 5871 B14R1.32 CCNC(=O)CNC1CCCC(C1)C 34a_100011194320_100000183381 [0,0,0,1,0,1|2,0,0]=4 5872 B14R1.32 CCNC(=O)COC1CCCC(C1)C 34a_100000211399_100000183381 [0,0,0,1,0,1|2,0,0]=4 5873 B14R1.32 CCOC(=O)CCN1CCC[C@@H](C1)C 2230a_100000717927_100011206558 [0,0,0,1,0,1|2,0,0]=4 5874 B14R1.32 CCOC(=O)CCN1CCC[C@@H](C1)C 269982a_100000717927_100011206558 [0,0,0,1,0,1|2,0,0]=4 5875 B14R1.32 CCOC(=O)CCN1CCC[C@@H](C1)C 34a_100000717927_100000765890 [0,0,0,1,0,1|2,0,0]=4 5876 B14R1.32 CCOC(=O)CNC1CCCC(C1)C 2230a_100011194320_100000188475 [0,0,0,1,0,1|1,0,0]=3 5877 B14R1.32 CCOC(=O)CNC1CCCC(C1)C 34a_100011194320_100000188475 [0,0,0,1,0,1|1,0,0]=3 5878 B14R1.32 CCOC(=O)CNC1CCCC(C1)O 2230a_100015190357_100000188475 [0,0,0,1,0,1|2,0,0]=4 5879 B14R1.32 CCOC(=O)COC1C=C(CCC1)C 34a_100011218613_100000188475 [0,0,0,1,0,1|1,0,1]=4 5880 B14R1.32 CCOC(=O)COC1CCCC(C1)C 34a_100000211399_100000188475 [0,0,0,1,0,1|1,0,0]=3 5881 B14R1.32 CCOC(=O)COC1CCOC(C1)C 34a_100011986385_100000188475 [0,0,0,1,0,1|2,0,0]=4 5882 B14R1.32 CCOC(=O)COC1CCOC(C1)C 7a_100011986385_100000188475 [0,0,0,1,0,1|2,0,0]=4 5883 B14R1.100 CCCC(=O)CNC(C)C1CCCC1 2230a_100015185923_100000747444 [0,0,0,1,0,1|2,0,0]=4 5884 B14R1.100 CCCC(=O)COC(C)C1CCCC1 7a_100011216366_100000747444 [0,0,0,1,0,1|2,0,0]=4 5885 B14R1.100 CCNC(=O)CNC(C)C1CCCC1 2230a_100015185923_100000183381 [0,0,0,1,0,1|2,0,0]=4 5886 B14R1.100 CCNC(=O)CNC(C)C1CCCC1 270004a_100016988866_100000749594 [0,0,0,1,0,1|2,0,0]=4 5887 B14R1.100 CCNC(=O)CNC(C)C1CCCC1 34a_100015185923_100000183381 [0,0,0,1,0,1|2,0,0]=4 5888 B14R1.100 CCNC(=O)COC(C)C1CCCC1 34a_100011216366_100000183381 [0,0,0,1,0,1|2,0,0]=4 5889 B14R1.100 CCNC(=O)COC(C)C1CCCC1 7a_100011216366_100000183381 [0,0,0,1,0,1|2,0,0]=4 5890 B14R1.100 CCOC(=O)CCC(=O)C1CCCC1 1458a_100000183558_100000179811 [0,0,0,1,0,1|0,0,2]=4 5891 B14R1.100 CCOC(=O)CCC(C)N1CCCC1 2230a_100000188435_100000748298 [0,0,0,1,0,1|2,0,0]=4 5892 B14R1.100 CCOC(=O)CCC(C)N1CCCC1 269982a_100000188435_100000748298 [0,0,0,1,0,1|2,0,0]=4 5893 B14R1.100 CCOC(=O)CCN(C)C1CCCC1 2230a_100000207505_100011206558 [0,0,0,1,0,1|2,0,0]=4 5894 B14R1.100 CCOC(=O)CCN(C)C1CCCC1 2230a_100000745921_100000179811 [0,0,0,1,0,1|2,0,0]=4 5895 B14R1.100 CCOC(=O)CCN(C)C1CCCC1 269982a_100000207505_100011206558 [0,0,0,1,0,1|2,0,0]=4 5896 B14R1.100 CCOC(=O)CCN(C)C1CCCC1 269982a_100000745921_100000179811 [0,0,0,1,0,1|2,0,0]=4 5897 B14R1.100 CCOC(=O)CCN(C)C1CCCC1 269982a_200103153152_200000210301 [0,0,0,1,0,1|2,0,0]=4 5898 B14R1.100 CCOC(=O)CCN(C)C1CCCC1 34a_100000207505_100000765890 [0,0,0,1,0,1|2,0,0]=4 5899 B14R1.100 CCOC(=O)CCN([13CH3])C1CCCC1 269982a_200103153152_200025704644 [0,0,0,1,0,1|2,0,0]=4 5900 B14R1.100 CCOC(=O)CNC(=O)C1CCCC1 188690a_100000741813_100000210718 [0,0,0,1,0,1|0,0,2]=4 5901 B14R1.100 CCOC(=O)CNC(C)C1CCCC1 2230a_100015185923_100000188475 [0,0,0,1,0,1|1,0,0]=3 5902 B14R1.100 CCOC(=O)CNC(C)C1CCCC1 34a_100015185923_100000188475 [0,0,0,1,0,1|1,0,0]=3 5903 B14R1.100 CCOC(=O)CNC(C)C1CCCO1 2230a_100025754208_100000188475 [0,0,0,1,0,1|2,0,0]=4 5904 B14R1.100 CCOC(=O)CNC(C)C1CCCO1 34a_100025754208_100000188475 [0,0,0,1,0,1|2,0,0]=4 5905 B14R1.100 CCOC(=O)COC(C)C1CCCC1 34a_100011216366_100000188475 [0,0,0,1,0,1|1,0,0]=3 5906 B14R1.100 CCOC(=O)COC(C)C1CCCC1 7a_100011216366_100000188475 [0,0,0,1,0,1|1,0,0]=3 5907 B14R1.100 CCOC(=O)NCC(=O)C1CCCC1 1458a_100000190774_100000179811 [0,0,0,1,0,1|0,0,2]=4 5908 B14R1.599 CCOC(=O)[C@@H]1C[C@H](CCN1CC)C 2230a_200015568886_100000210202 [0,0,0,1,0,1|2,0,0]=4 5909 B14R1.599 CCOC(=O)[C@@H]1C[C@H](CCN1CC)C 269982a_200015568886_100000204670 [0,0,0,1,0,1|2,0,0]=4 5910 B14R1.1047 CCCCCC(=O)CN1CCOC1=O 1458a_100011227918_100000210326 [0,0,0,1,0,1|0,0,2]=4 5911 B14R1.1047 CCCCCC(C)NC1CCCC1=O 2230a_100000211957_100000211823 [0,0,0,1,0,1|2,0,0]=4 5912 B14R1.1047 CCCCCC(C)NC1CCNC1=O 2230a_100016995588_200011218191 [0,0,0,1,0,1|2,0,0]=4 5913 B14R1.1047 CCCCCC(C)NC1CCNC1=O 270004a_100016995588_100000211708 [0,0,0,1,0,1|2,0,0]=4 5914 B14R1.1047 CCCCCC(C)NC1CCNC1=O 34a_100016995588_200011218191 [0,0,0,1,0,1|2,0,0]=4 5915 B14R1.1047 CCCCCC(C)NC1CCOC1=O 2230a_100000211957_100000211211 [0,0,0,1,0,1|1,0,0]=3 5916 B14R1.1047 CCCCCC(C)OC1CCCC1=O 34a_100011215632_100000709159 [0,0,0,1,0,1|2,0,0]=4 5917 B14R1.1047 CCCCCC(C)OC1CCCC1=O 34a_200000719330_200011218191 [0,0,0,1,0,1|2,0,0]=4 5918 B14R1.1047 CCCCCC(C)OC1CCCC1=O 7a_100011215632_100000211823 [0,0,0,1,0,1|2,0,0]=4 5919 B14R1.1047 CCCCCC(C)OC1CCOC1=O 34a_100011215632_100000211211 [0,0,0,1,0,1|1,0,0]=3 5920 B14R1.1047 CCCCCC(C)OC1CCOC1=O 7a_100011215632_100000211211 [0,0,0,1,0,1|1,0,0]=3 5921 B14R1.1047 CCCCCC(C)O[C@H]1CCNC1=O 34a_100000688343_200011218191 [0,0,0,1,0,1|2,0,0]=4 5922 B14R1.1047 CCCCCC(C)SC1CCCC1=O 62a_100000211823_200011218191 [0,0,0,1,0,1|2,0,0]=4 5923 B14R1.1047 CCCCCC(C)SC1CCCC1=O 62a_200011218191_100000211823 [0,0,0,1,0,1|2,0,0]=4 5924 B14R1.1047 CCCCCC(C)SC1CCOC1=O 62a_100000211211_200011218191 [0,0,0,1,0,1|1,0,0]=3 5925 B14R1.1047 CCCCCC(C)SC1CCOC1=O 62a_200011218191_100000211211 [0,0,0,1,0,1|1,0,0]=3 5926 B14R1.1047 COCCCC(C)OC1CCOC1=O 34a_200011539412_100000211211 [0,0,0,1,0,1|2,0,0]=4 5927 B14R1.1047 COCCCC(C)OC1CCOC1=O 7a_200011539412_100000211211 [0,0,0,1,0,1|2,0,0]=4 5928 B14R1.1423 CCCCCC(C)NCC(=O)C1CC1 2230a_100000211957_100000746382 [0,0,0,1,0,1|2,0,0]=4 5929 B14R1.1423 CCCCCC(C)OCC(=O)C1CC1 34a_100000686663_200011218191 [0,0,0,1,0,1|2,0,0]=4 5930 B14R1.1423 CCCCCC(C)OCC(=O)C1CC1 34a_100011215632_100000746382 [0,0,0,1,0,1|2,0,0]=4 5931 B14R1.1423 CCCCCC(C)OCC(=O)C1CC1 7a_100011215632_100000746382 [0,0,0,1,0,1|2,0,0]=4 5932 B14R1.1423 CCCCCC(C)SCC(=O)C1CC1 62a_100000746382_200011218191 [0,0,0,1,0,1|2,0,0]=4 5933 B14R1.1423 CCCCCC(C)SCC(=O)C1CC1 62a_200011218191_100000746382 [0,0,0,1,0,1|2,0,0]=4 5934 B14R1.2613 CCCC(=O)CCC1CCC(C1)CC 1458a_200009887184_100000210303 [0,0,0,1,0,1|2,0,0]=4 5935 B14R1.2613 CCNC(=O)CCC1CCC(C1)CC 11a_100015525214_200009887184 [0,0,0,1,0,1|2,0,0]=4 5936 B14R1.2613 CCNC(=O)CCC1CCC(C1)CC 240690a_100015525214_200009887184 [0,0,0,1,0,1|2,0,0]=4 5937 B14R1.2613 CCNC(=O)CCC1CCC(C1)CC 527a_100015525214_200009887184 [0,0,0,1,0,1|2,0,0]=4 5938 B14R1.2613 CCNC(=O)CNC1CCC(C1)CC 270004a_100016988866_100011218773 [0,0,0,1,0,1|2,0,0]=4 5939 B14R1.2613 CCOC(=O)CNC1CCN(C1)CC 2230a_100015188829_100000188475 [0,0,0,1,0,1|2,0,0]=4 5940 B14R1.2613 CCOC(=O)CSC1CCN(C1)CC 62a_100000188475_200011861547 [0,0,0,1,0,1|2,0,0]=4 5941 B14R1.3263 CCCCCN1CC(C1)C(=O)OCC 269982a_100015188541_100000210215 [0,0,0,1,0,1|2,0,0]=4 5942 B14R1.3263 CCCCOC1CC(C1)C(=O)OCC 7a_100000093532_100000210211 [0,0,0,1,0,1|2,0,0]=4 5943 B14R1.3707 CCOC(=O)CNC(=O)C1CC1CC 188690a_100000741813_200011661523 [0,0,0,1,0,1|0,0,2]=4 5944 B14R1.3709 CCOC(=O)CCC(=O)CC1CCC1 1458a_100000183558_100000763275 [0,0,0,1,0,1|0,0,2]=4 5945 B14R1.3709 CCOC(=O)CCC(C)NC1CCC1 2230a_100000749019_100000748298 [0,0,0,1,0,1|2,0,0]=4 5946 B14R1.3709 CCOC(=O)CCC(C)NC1CCC1 34a_100000749019_100000748298 [0,0,0,1,0,1|2,0,0]=4 5947 B14R1.3709 CCOC(=O)CCC(C)OC1CCC1 34a_100000748187_100000748298 [0,0,0,1,0,1|2,0,0]=4 5948 B14R1.3709 CCOC(=O)CCC(C)SC1CCC1 62a_100000748298_100000749161 [0,0,0,1,0,1|2,0,0]=4 5949 B14R1.3709 CCOC(=O)CCN(C)CC1CCC1 2230a_100000745921_100000763275 [0,0,0,1,0,1|2,0,0]=4 5950 B14R1.3709 CCOC(=O)CCN(C)CC1CCC1 2230a_200000750244_100011206558 [0,0,0,1,0,1|2,0,0]=4 5951 B14R1.3709 CCOC(=O)CCN(C)CC1CCC1 269982a_100000745921_100000763275 [0,0,0,1,0,1|2,0,0]=4 5952 B14R1.3709 CCOC(=O)CCN(C)CC1CCC1 269982a_200000750244_100011206558 [0,0,0,1,0,1|2,0,0]=4 5953 B14R1.3709 CCOC(=O)CCN(C)CC1CCC1 34a_200000750244_100000765890 [0,0,0,1,0,1|2,0,0]=4 5954 B14R1.3709 CCOC(=O)CNC(=O)CC1CCC1 188690a_100000741813_100000763092 [0,0,0,1,0,1|0,0,2]=4 5955 B14R1.3709 CCOC(=O)NCC(=O)CC1CCC1 1458a_100000190774_100000763275 [0,0,0,1,0,1|0,0,2]=4 5956 B14R1.3710 CCOC(=O)CCC(=O)CCC1CC1 1458a_100000183558_100000694398 [0,0,0,1,0,1|0,0,2]=4 5957 B14R1.3710 CCOC(=O)CCC(C)NCC1CC1 2230a_100000735609_100000748298 [0,0,0,1,0,1|2,0,0]=4 5958 B14R1.3710 CCOC(=O)CCC(C)NCC1CC1 34a_100000735609_100000748298 [0,0,0,1,0,1|2,0,0]=4 5959 B14R1.3710 CCOC(=O)CCC(C)OCC1CC1 34a_100000211283_100000748298 [0,0,0,1,0,1|2,0,0]=4 5960 B14R1.3710 CCOC(=O)CCC(C)SCC1CC1 62a_100000748298_100000742324 [0,0,0,1,0,1|2,0,0]=4 5961 B14R1.3710 CCOC(=O)CCC(C)SCC1CC1 62a_100000756562_100000748298 [0,0,0,1,0,1|2,0,0]=4 5962 B14R1.3710 CCOC(=O)CCN(C)CCC1CC1 2230a_100000745921_100000694398 [0,0,0,1,0,1|2,0,0]=4 5963 B14R1.3710 CCOC(=O)CCN(C)CCC1CC1 269982a_100000745921_100000694398 [0,0,0,1,0,1|2,0,0]=4 5964 B14R1.3710 CCOC(=O)CNC(=O)CCC1CC1 188690a_100000741813_100000756386 [0,0,0,1,0,1|0,0,2]=4 5965 B14R1.3710 CCOC(=O)NCC(=O)CCC1CC1 1458a_100000190774_100000694398 [0,0,0,1,0,1|0,0,2]=4 5966 B14R1.3711 CCOC(=O)CCC(C)N1CCC1C 269982a_100000755817_100000748298 [0,0,0,1,0,1|2,0,0]=4 5967 B14R1.3711 CCOC(=O)CCC(C)N1CCC1C 34a_100000755817_100000748298 [0,0,0,1,0,1|2,0,0]=4 5968 B14R1.5407 CCOC(=O)CNC1CC(C1)COC 2230a_100012180050_100000188475 [0,0,0,1,0,1|2,0,0]=4 5969 B14R1.6579 CCCN1C[C@@H](C[C@H]1C(=O)OCC)O 2230a_100020626377_100000210303 [0,0,0,1,0,1|1,0,0]=3 5970 B14R1.6579 CCCN1C[C@@H](C[C@H]1C(=O)OCC)O 269982a_100020626377_100000210303 [0,0,0,1,0,1|1,0,0]=3 5971 B14R1.6579 CCOC(=O)[C@@H]1C[C@H](CN1CCF)O 2230a_100020626377_100011217306 [0,0,0,1,0,1|2,0,0]=4 5972 B14R1.6579 CCOC(=O)[C@@H]1C[C@H](CN1CCF)O 269982a_100020626377_100011217306 [0,0,0,1,0,1|2,0,0]=4 5973 B14R1.6579 CCOC(=O)[C@@H]1C[C@H](CN1CCO)O 2230a_100020626377_100000211926 [0,0,0,1,0,1|2,0,0]=4 5974 B14R1.6579 CCOC(=O)[C@@H]1C[C@H](CN1CCO)O 269982a_100020626377_100000211926 [0,0,0,1,0,1|2,0,0]=4 5975 B14R1.6579 CCOC(=O)[C@@H]1C[C@H](CN1COC)O 2230a_100020626377_100000766300 [0,0,0,1,0,1|2,0,0]=4 5976 B14R1.6579 CCOC(=O)[C@@H]1C[C@H](CN1COC)O 269982a_100020626377_100000766300 [0,0,0,1,0,1|2,0,0]=4 5977 B14R1.6579 CCOC(=O)[C@@H]1C[C@H](CN1CSC)O 2230a_100020626377_100011218213 [0,0,0,1,0,1|2,0,0]=4 5978 B14R1.6579 CCOC(=O)[C@@H]1C[C@H](CN1CSC)O 269982a_100020626377_100011218213 [0,0,0,1,0,1|2,0,0]=4 5979 B14R1.7146 CCCC(=O)CNC1CCCCCC1 2230a_100000210984_100000747444 [0,0,0,1,0,1|2,0,0]=4 5980 B14R1.7146 CCCC(=O)COC1CCCCCC1 7a_100000210887_100000747444 [0,0,0,1,0,1|2,0,0]=4 5981 B14R1.7146 CCCC(=O)CSC1CCCCCC1 62a_100000747444_100011217769 [0,0,0,1,0,1|2,0,0]=4 5982 B14R1.7146 CCCC(=O)CSC1CCCCCC1 62a_100011217769_100000747444 [0,0,0,1,0,1|2,0,0]=4 5983 B14R1.7146 CCCC(=O)NCC1CCCCCC1 11a_100015204231_100000211992 [0,0,0,1,0,1|2,0,0]=4 5984 B14R1.7146 CCCC(=O)NCC1CCCCCC1 1626a_100015204231_100000211992 [0,0,0,1,0,1|2,0,0]=4 5985 B14R1.7146 CCCC(=O)NCC1CCCCCC1 240690a_100015204231_100000211992 [0,0,0,1,0,1|2,0,0]=4 5986 B14R1.7146 CCCC(=O)NCC1CCCCCC1 527a_100015204231_100000211992 [0,0,0,1,0,1|2,0,0]=4 5987 B14R1.7146 CCNC(=O)CNC1CCCCCC1 2230a_100000210984_100000183381 [0,0,0,1,0,1|2,0,0]=4 5988 B14R1.7146 CCNC(=O)CNC1CCCCCC1 270004a_100016988866_100000210131 [0,0,0,1,0,1|2,0,0]=4 5989 B14R1.7146 CCNC(=O)CNC1CCCCCC1 34a_100000210984_100000183381 [0,0,0,1,0,1|2,0,0]=4 5990 B14R1.7146 CCNC(=O)COC1CCCCCC1 34a_100000210887_100000183381 [0,0,0,1,0,1|2,0,0]=4 5991 B14R1.7146 CCNC(=O)COC1CCCCCC1 7a_100000210887_100000183381 [0,0,0,1,0,1|2,0,0]=4 5992 B14R1.7146 CCNC(=O)CSC1CCCCCC1 62a_100000183381_100011217769 [0,0,0,1,0,1|2,0,0]=4 5993 B14R1.7146 CCNC(=O)CSC1CCCCCC1 62a_100011217769_100000183381 [0,0,0,1,0,1|2,0,0]=4 5994 B14R1.7146 CCNC(=O)NCC1CCCCCC1 2708a_100015204231_100015525214 [0,0,0,1,0,1|2,0,0]=4 5995 B14R1.7146 CCNC(=O)NCC1CCCCCC1 2708a_100015525214_100015204231 [0,0,0,1,0,1|2,0,0]=4 5996 B14R1.7146 CCNC(=O)NCC1CCCCCC1 273464a_100015204231_100015525214 [0,0,0,1,0,1|2,0,0]=4 5997 B14R1.7146 CCNC(=O)NCC1CCCCCC1 273464a_100015525214_100015204231 [0,0,0,1,0,1|2,0,0]=4 5998 B14R1.7146 CCNC(=O)NCC1CCCCCC1 512a_100015525214_100015204231 [0,0,0,1,0,1|2,0,0]=4 5999 B14R1.7146 CCOC(=O)CCN1CCCCCC1 2230a_100000185865_100011206558 [0,0,0,1,0,1|2,0,0]=4 6000 B14R1.7146 CCOC(=O)CCN1CCCCCC1 269982a_100000185865_100011206558 [0,0,0,1,0,1|2,0,0]=4 6001 B14R1.7146 CCOC(=O)CCN1CCCCCC1 34a_100000185865_100000765890 [0,0,0,1,0,1|2,0,0]=4 6002 B14R1.7146 CCOC(=O)CNC1CCCCCC1 2230a_100000210984_100000188475 [0,0,0,1,0,1|1,0,0]=3 6003 B14R1.7146 CCOC(=O)CNC1CCCCCC1 34a_100000210984_100000188475 [0,0,0,1,0,1|1,0,0]=3 6004 B14R1.7146 CCOC(=O)COC1CCCCCC1 34a_100000210887_100000188475 [0,0,0,1,0,1|1,0,0]=3 6005 B14R1.7146 CCOC(=O)COC1CCCCCC1 7a_100000210887_100000188475 [0,0,0,1,0,1|1,0,0]=3 6006 B14R1.7146 CCOC(=O)CSC1CCCCCC1 62a_100000188475_100011217769 [0,0,0,1,0,1|1,0,0]=3 6007 B14R1.7146 CCOC(=O)CSC1CCCCCC1 62a_100011217769_100000188475 [0,0,0,1,0,1|1,0,0]=3 6008 B14R1.18883 CC=CC(=O)NCC1(CCCCC1)O 11a_100000748649_100000210699 [0,0,0,1,0,1|1,0,1]=4 6009 B14R1.18883 CC=CC(=O)NCC1(CCCCC1)O 1626a_100000748649_100000210699 [0,0,0,1,0,1|1,0,1]=4 6010 B14R1.18883 CC=CC(=O)NCC1(CCCCC1)O 240690a_100000748649_100000210699 [0,0,0,1,0,1|1,0,1]=4 6011 B14R1.18883 CCCC(=O)CNC1(CCCCC1)C 2230a_100000741114_100000747444 [0,0,0,1,0,1|2,0,0]=4 6012 B14R1.18883 CCCC(=O)COC1(CCCCC1)C 7a_100011215885_100000747444 [0,0,0,1,0,1|2,0,0]=4 6013 B14R1.18883 CCCC(=O)NCC1(CCCCC1)C 11a_100000706052_100000211992 [0,0,0,1,0,1|2,0,0]=4 6014 B14R1.18883 CCCC(=O)NCC1(CCCCC1)C 1626a_100000706052_100000211992 [0,0,0,1,0,1|2,0,0]=4 6015 B14R1.18883 CCCC(=O)NCC1(CCCCC1)C 240690a_100000706052_100000211992 [0,0,0,1,0,1|2,0,0]=4 6016 B14R1.18883 CCCC(=O)NCC1(CCCCC1)C 527a_100000706052_100000211992 [0,0,0,1,0,1|2,0,0]=4 6017 B14R1.18883 CCCC(=O)NCC1(CCCCC1)O 11a_100000748649_100000211992 [0,0,0,1,0,1|1,0,0]=3 6018 B14R1.18883 CCCC(=O)NCC1(CCCCC1)O 1626a_100000748649_100000211992 [0,0,0,1,0,1|1,0,0]=3 6019 B14R1.18883 CCCC(=O)NCC1(CCCCC1)O 240690a_100000748649_100000211992 [0,0,0,1,0,1|1,0,0]=3 6020 B14R1.18883 CCCC(=O)NCC1(CCCCC1)O 527a_100000748649_100000211992 [0,0,0,1,0,1|1,0,0]=3 6021 B14R1.18883 CCCC(=O)NCC1(CCOCC1)O 11a_100000704115_100000211992 [0,0,0,1,0,1|2,0,0]=4 6022 B14R1.18883 CCCC(=O)NCC1(CCOCC1)O 240690a_100000704115_100000211992 [0,0,0,1,0,1|2,0,0]=4 6023 B14R1.18883 CCCC(=O)NCC1(CCOCC1)O 527a_100000704115_100000211992 [0,0,0,1,0,1|2,0,0]=4 6024 B14R1.18883 CCCC(=O)NCC1(CCSCC1)O 11a_100000758141_100000211992 [0,0,0,1,0,1|2,0,0]=4 6025 B14R1.18883 CCCC(=O)NCC1(CCSCC1)O 240690a_100000758141_100000211992 [0,0,0,1,0,1|2,0,0]=4 6026 B14R1.18883 CCCC(=O)NCC1(CCSCC1)O 527a_100000758141_100000211992 [0,0,0,1,0,1|2,0,0]=4 6027 B14R1.18883 CCNC(=O)CNC1(CCCCC1)C 2230a_100000741114_100000183381 [0,0,0,1,0,1|2,0,0]=4 6028 B14R1.18883 CCNC(=O)CNC1(CCCCC1)C 34a_100000741114_100000183381 [0,0,0,1,0,1|2,0,0]=4 6029 B14R1.18883 CCNC(=O)COC1(CCCCC1)C 34a_100011215885_100000183381 [0,0,0,1,0,1|2,0,0]=4 6030 B14R1.18883 CCNC(=O)COC1(CCCCC1)C 7a_100011215885_100000183381 [0,0,0,1,0,1|2,0,0]=4 6031 B14R1.18883 CCNC(=O)NCC1(CCCCC1)C 2708a_100000706052_100015525214 [0,0,0,1,0,1|2,0,0]=4 6032 B14R1.18883 CCNC(=O)NCC1(CCCCC1)C 2708a_100015525214_100000706052 [0,0,0,1,0,1|2,0,0]=4 6033 B14R1.18883 CCNC(=O)NCC1(CCCCC1)C 273464a_100000706052_100015525214 [0,0,0,1,0,1|2,0,0]=4 6034 B14R1.18883 CCNC(=O)NCC1(CCCCC1)C 273464a_100015525214_100000706052 [0,0,0,1,0,1|2,0,0]=4 6035 B14R1.18883 CCNC(=O)NCC1(CCCCC1)C 512a_100000706052_100015525214 [0,0,0,1,0,1|2,0,0]=4 6036 B14R1.18883 CCNC(=O)NCC1(CCCCC1)C 512a_100015525214_100000706052 [0,0,0,1,0,1|2,0,0]=4 6037 B14R1.18883 CCNC(=O)NCC1(CCCCC1)O 2708a_100015525214_100000748649 [0,0,0,1,0,1|1,0,0]=3 6038 B14R1.18883 CCNC(=O)NCC1(CCCCC1)O 273464a_100015525214_100000748649 [0,0,0,1,0,1|1,0,0]=3 6039 B14R1.18883 CCNC(=O)NCC1(CCCCC1)O 512a_100000748649_100015525214 [0,0,0,1,0,1|1,0,0]=3 6040 B14R1.18883 CCNC(=O)NCC1(CCCCC1)O 512a_100015525214_100000748649 [0,0,0,1,0,1|1,0,0]=3 6041 B14R1.18883 CCNC(=O)NCC1(CCOCC1)O 2708a_100015525214_100000704115 [0,0,0,1,0,1|2,0,0]=4 6042 B14R1.18883 CCNC(=O)NCC1(CCOCC1)O 273464a_100000704115_100015525214 [0,0,0,1,0,1|2,0,0]=4 6043 B14R1.18883 CCNC(=O)NCC1(CCOCC1)O 273464a_100015525214_100000704115 [0,0,0,1,0,1|2,0,0]=4 6044 B14R1.18883 CCNC(=O)NCC1(CCOCC1)O 512a_100000704115_100015525214 [0,0,0,1,0,1|2,0,0]=4 6045 B14R1.18883 CCNC(=O)NCC1(CCOCC1)O 512a_100015525214_100000704115 [0,0,0,1,0,1|2,0,0]=4 6046 B14R1.18883 CCNC(=O)NCC1(CCSCC1)O 2708a_100000758141_100015525214 [0,0,0,1,0,1|2,0,0]=4 6047 B14R1.18883 CCNC(=O)NCC1(CCSCC1)O 2708a_100015525214_100000758141 [0,0,0,1,0,1|2,0,0]=4 6048 B14R1.18883 CCNC(=O)NCC1(CCSCC1)O 273464a_100000758141_100015525214 [0,0,0,1,0,1|2,0,0]=4 6049 B14R1.18883 CCNC(=O)NCC1(CCSCC1)O 273464a_100015525214_100000758141 [0,0,0,1,0,1|2,0,0]=4 6050 B14R1.18883 CCNC(=O)NCC1(CCSCC1)O 512a_100000758141_100015525214 [0,0,0,1,0,1|2,0,0]=4 6051 B14R1.18883 CCNC(=O)NCC1(CCSCC1)O 512a_100015525214_100000758141 [0,0,0,1,0,1|2,0,0]=4 6052 B14R1.18883 CCOC(=O)CNC1(CCCCC1)C 2230a_100000741114_100000188475 [0,0,0,1,0,1|1,0,0]=3 6053 B14R1.18883 CCOC(=O)CNC1(CCCCC1)C 34a_100000741114_100000188475 [0,0,0,1,0,1|1,0,0]=3 6054 B14R1.18883 CCOC(=O)CNC1(CCOCC1)C 2230a_100000692449_100000188475 [0,0,0,1,0,1|2,0,0]=4 6055 B14R1.18883 CCOC(=O)CNC1(CCOCC1)C 34a_100000692449_100000188475 [0,0,0,1,0,1|2,0,0]=4 6056 B14R1.18883 CCOC(=O)COC1(CCCCC1)C 34a_100011215885_100000188475 [0,0,0,1,0,1|1,0,0]=3 6057 B14R1.18883 CCOC(=O)COC1(CCCCC1)C 7a_100011215885_100000188475 [0,0,0,1,0,1|1,0,0]=3 6058 B14R1.18883 CCOC(=O)COC1(CCOCC1)C 34a_100011827762_100000188475 [0,0,0,1,0,1|2,0,0]=4 6059 B14R1.18883 CCOC(=O)COC1(CCOCC1)C 7a_100011827762_100000188475 [0,0,0,1,0,1|2,0,0]=4 6060 B14R1.18883 CCOC(=O)COC1(CCSCC1)C 34a_200011004327_100000188475 [0,0,0,1,0,1|2,0,0]=4 6061 B14R1.18883 CCOC(=O)COC1(CCSCC1)C 7a_200011004327_100000188475 [0,0,0,1,0,1|2,0,0]=4 6062 B14R1.18883 CNNC(=O)NCC1(CCCCC1)O 512a_100000748649_100016993582 [0,0,0,1,0,1|2,0,0]=4 6063 B14R1.18883 CNNC(=O)NCC1(CCCCC1)O 512a_100016993582_100000748649 [0,0,0,1,0,1|2,0,0]=4 6064 B14R1.18883 COCC(=O)NCC1(CCCCC1)O 11a_100000748649_100000210968 [0,0,0,1,0,1|2,0,0]=4 6065 B14R1.18883 COCC(=O)NCC1(CCCCC1)O 1626a_100000748649_100000210968 [0,0,0,1,0,1|2,0,0]=4 6066 B14R1.18883 COCC(=O)NCC1(CCCCC1)O 240690a_100000748649_100000210968 [0,0,0,1,0,1|2,0,0]=4 6067 B14R1.18883 COCC(=O)NCC1(CCCCC1)O 527a_100000748649_100000210968 [0,0,0,1,0,1|2,0,0]=4 6068 B14R1.18883 CSCC(=O)NCC1(CCCCC1)O 11a_100000748649_100000184570 [0,0,0,1,0,1|2,0,0]=4 6069 B14R1.18883 CSCC(=O)NCC1(CCCCC1)O 1626a_100000748649_100000184570 [0,0,0,1,0,1|2,0,0]=4 6070 B14R1.18883 CSCC(=O)NCC1(CCCCC1)O 240690a_100000748649_100000184570 [0,0,0,1,0,1|2,0,0]=4 6071 B14R1.18883 CSCC(=O)NCC1(CCCCC1)O 527a_100000748649_100000184570 [0,0,0,1,0,1|2,0,0]=4 6072 B14R1.18883 O=C(CCO)NCC1(CCCCC1)O 240690a_100000748649_100011216618 [0,0,0,1,0,1|2,0,0]=4 6073 B14R1.18889 CCOC(=O)CO[C@@]1(CCC[C@H]1N)C 34a_100015977457_100000188475 [0,0,0,1,0,1|2,0,0]=4 6074 B14R1.19171 CCCC(=O)CN1C(CCCC1C)C 2230a_100000210447_100000747444 [0,0,0,1,0,1|2,0,0]=4 6075 B14R1.19171 CCCC(=O)CN1C(CCCC1C)C 269982a_100000210447_100000747444 [0,0,0,1,0,1|2,0,0]=4 6076 B14R1.19171 CCNC(=O)CN1C(CCCC1C)C 2230a_100000210447_100000183381 [0,0,0,1,0,1|2,0,0]=4 6077 B14R1.19171 CCNC(=O)CN1C(CCCC1C)C 240690a_100015525214_200032004080 [0,0,0,1,0,1|2,0,0]=4 6078 B14R1.19171 CCNC(=O)CN1C(CCCC1C)C 269982a_100000210447_100000183381 [0,0,0,1,0,1|2,0,0]=4 6079 B14R1.19171 CCNC(=O)CN1C(CCCC1C)C 34a_100000210447_100000183381 [0,0,0,1,0,1|2,0,0]=4 6080 B14R1.19171 CCOC(=O)CN1C(CCCC1C)C 2230a_100000210447_100000188475 [0,0,0,1,0,1|1,0,0]=3 6081 B14R1.19171 CCOC(=O)CN1C(CCCC1C)C 269982a_100000210447_100000188475 [0,0,0,1,0,1|1,0,0]=3 6082 B14R1.19171 CCOC(=O)CN1C(CCCC1C)C 34a_100000210447_100000188475 [0,0,0,1,0,1|1,0,0]=3 6083 B14R1.19171 CCOC(=O)CN1[C@@H](COC[C@@H]1C)C 2230a_100103153222_100000188475 [0,0,0,1,0,1|2,0,0]=4 6084 B14R1.19171 CCOC(=O)CN1[C@@H](COC[C@@H]1C)C 269982a_100103153222_100000188475 [0,0,0,1,0,1|2,0,0]=4 6085 B14R1.19171 CCOC(=O)CN1[C@@H](COC[C@@H]1C)C 34a_100103153222_100000188475 [0,0,0,1,0,1|2,0,0]=4 6086 B14R1.28 CCOC(=O)CC(=O)C1CCC(C1)O 1458a_100000688591_100000188475 [0,1,0,1,0,0|0,0,2]=4 6087 B14R1.28 CCOC(=O)CC(C)N1CCC(C1)O 2230a_100011215560_100009817359 [0,1,0,1,0,0|2,0,0]=4 6088 B14R1.28 CCOC(=O)CC(C)N1CCC(C1)O 269982a_100011215560_100009817359 [0,1,0,1,0,0|2,0,0]=4 6089 B14R1.28 CCOC(=O)CC(C)N1CC[C@@H](C1)F 2230a_100015203821_100009817359 [0,1,0,1,0,0|2,0,0]=4 6090 B14R1.28 CCOC(=O)CC(C)N1CC[C@@H](C1)F 269982a_100015203821_100009817359 [0,1,0,1,0,0|2,0,0]=4 6091 B14R1.28 CCOC(=O)CC(C)N1CC[C@H](C1)C 2230a_100016987628_100009817359 [0,1,0,1,0,0|2,0,0]=4 6092 B14R1.28 CCOC(=O)CC(C)N1CC[C@H](C1)C 269982a_100016987628_100009817359 [0,1,0,1,0,0|2,0,0]=4 6093 B14R1.28 CCOC(=O)CN(C)C1CCC(C1)C 270004a_100000220588_100011215218 [0,1,0,1,0,0|2,0,0]=4 6094 B14R1.28 CCOC(=O)CN(C)C1CCC(C1)O 270004a_100000220588_100012614533 [0,1,0,1,0,0|2,0,0]=4 6095 B14R1.29 CCCC(=O)CC(C)N1CCCCC1 1458a_100015187720_100000210303 [0,1,0,1,0,0|2,0,0]=4 6096 B14R1.29 CCNC(=O)CC(C)N1CCCCC1 240690a_100015525214_100015187720 [0,1,0,1,0,0|2,0,0]=4 6097 B14R1.29 CCOC(=O)CC(=O)C1CCCCC1 1458a_100000210647_100000188475 [0,1,0,1,0,0|0,0,2]=4 6098 B14R1.29 CCOC(=O)CC(=O)C1CCCCC1 1458a_100000243816_100000210327 [0,1,0,1,0,0|0,0,2]=4 6099 B14R1.29 CCOC(=O)CC(=O)C1CCCCO1 1458a_100000748299_100000188475 [0,1,0,1,0,0|0,0,2]=4 6100 B14R1.29 CCOC(=O)CC(=O)C1CCCOC1 1458a_100000243816_100000693364 [0,1,0,1,0,0|0,0,2]=4 6101 B14R1.29 CCOC(=O)CC(=O)C1CCCOC1 1458a_100000741522_100000188475 [0,1,0,1,0,0|0,0,2]=4 6102 B14R1.29 CCOC(=O)CC(=O)C1CCOCC1 1458a_100000195482_100000188475 [0,1,0,1,0,0|0,0,2]=4 6103 B14R1.29 CCOC(=O)CC(=O)C1CCOCC1 1458a_100000243816_100011324220 [0,1,0,1,0,0|0,0,2]=4 6104 B14R1.29 CCOC(=O)CC(=O)C1CCSCC1 1458a_100000755232_100000188475 [0,1,0,1,0,0|0,0,2]=4 6105 B14R1.29 CCOC(=O)CC(C)N1CCCOC1 2230a_100000131196_100009817359 [0,1,0,1,0,0|2,0,0]=4 6106 B14R1.29 CCOC(=O)CC(C)N1CCCOC1 269982a_100000131196_100009817359 [0,1,0,1,0,0|2,0,0]=4 6107 B14R1.29 CCOC(=O)CC(C)N1CCOCC1 2230a_100015191051_100009817359 [0,1,0,1,0,0|2,0,0]=4 6108 B14R1.29 CCOC(=O)CC(C)N1CCOCC1 269982a_100015191051_100009817359 [0,1,0,1,0,0|2,0,0]=4 6109 B14R1.29 CCOC(=O)CC(C)N1CCSCC1 2230a_100000737611_100009817359 [0,1,0,1,0,0|2,0,0]=4 6110 B14R1.29 CCOC(=O)CC(C)N1CCSCC1 269982a_100000737611_100009817359 [0,1,0,1,0,0|2,0,0]=4 6111 B14R1.29 CCOC(=O)CN(C)C1CCCCC1 2230a_100000207522_100000188475 [0,1,0,1,0,0|2,0,0]=4 6112 B14R1.29 CCOC(=O)CN(C)C1CCCCC1 269982a_100000207522_100000188475 [0,1,0,1,0,0|2,0,0]=4 6113 B14R1.29 CCOC(=O)CN(C)C1CCCCC1 270004a_100000220588_100000210434 [0,1,0,1,0,0|2,0,0]=4 6114 B14R1.29 CCOC(=O)CN(C)C1CCCCC1 34a_100000207522_100000188475 [0,1,0,1,0,0|2,0,0]=4 6115 B14R1.29 CCOC(=O)CN(C)C1CCCOC1 270004a_100000220588_100000753404 [0,1,0,1,0,0|2,0,0]=4 6116 B14R1.29 CCOC(=O)CN(C)C1CCCSC1 270004a_100000220588_100000057913 [0,1,0,1,0,0|2,0,0]=4 6117 B14R1.29 CCOC(=O)CN(C)C1CCNCC1 270004a_100000220588_100015192401 [0,1,0,1,0,0|2,0,0]=4 6118 B14R1.29 CCOC(=O)CN(C)C1CCOCC1 2230a_100020587155_100000188475 [0,1,0,1,0,0|2,0,0]=4 6119 B14R1.29 CCOC(=O)CN(C)C1CCOCC1 269982a_100020587155_100000188475 [0,1,0,1,0,0|2,0,0]=4 6120 B14R1.29 CCOC(=O)CN(C)C1CCOCC1 270004a_100000220588_100011217826 [0,1,0,1,0,0|2,0,0]=4 6121 B14R1.29 CCOC(=O)CN(C)C1CCOCC1 34a_100020587155_100000188475 [0,1,0,1,0,0|2,0,0]=4 6122 B14R1.29 CCOC(=O)CN(C)C1CCSCC1 2230a_100015184757_100000188475 [0,1,0,1,0,0|2,0,0]=4 6123 B14R1.29 CCOC(=O)CN(C)C1CCSCC1 269982a_100015184757_100000188475 [0,1,0,1,0,0|2,0,0]=4 6124 B14R1.29 CCOC(=O)CN(C)C1CCSCC1 270004a_100000220588_100000203788 [0,1,0,1,0,0|2,0,0]=4 6125 B14R1.29 CCOC(=O)CN(C)C1CCSCC1 34a_100015184757_100000188475 [0,1,0,1,0,0|2,0,0]=4 6126 B14R1.2529 CCCCC(=O)[C@@H]1C[C@H]1C(=O)OCC 1458a_100009818562_100000210211 [0,1,0,1,0,0|1,0,1]=4 6127 B14R1.4475 CCCCC(C)C(=O)C1CCOC1=O 1458a_100000725509_100000211211 [0,1,0,1,0,0|0,0,2]=4 6128 B14R1.4475 CCCCC(O)C(=O)C1CCOC1=O 1458a_100000720857_100000211211 [0,1,0,1,0,0|0,0,2]=4 6129 B14R1.7167 CCOC(=O)CC(C)C(=O)C1CCC1 1458a_100000209988_100009817359 [0,1,0,1,0,0|1,0,1]=4 6130 B14R1.7167 CCOC(=O)CC(C)N(C)C1CCC1 2230a_100000758072_100009817359 [0,1,0,1,0,0|2,0,0]=4 6131 B14R1.7167 CCOC(=O)CC(C)N(C)C1CCC1 269982a_100000758072_100009817359 [0,1,0,1,0,0|2,0,0]=4 6132 B14R1.7169 CCOC(=O)CC(C)C(=O)CC1CC1 1458a_100000738066_100009817359 [0,1,0,1,0,0|1,0,1]=4 6133 B14R1.7169 CCOC(=O)CC(C)N(C)CC1CC1 2230a_100000741881_100009817359 [0,1,0,1,0,0|2,0,0]=4 6134 B14R1.7169 CCOC(=O)CC(C)N(C)CC1CC1 269982a_100000741881_100009817359 [0,1,0,1,0,0|2,0,0]=4 6135 B14R1.7169 CCOC(=O)CN(C)C(C)CC1CC1 270004a_100000220588_200000686933 [0,1,0,1,0,0|2,0,0]=4 6136 B14R1.10078 CCOC(=O)CC(=O)C1(CCCC1)C 1458a_100000239728_100000188475 [0,1,0,1,0,0|0,0,2]=4 6137 B14R1.10078 CCOC(=O)CC(=O)C1(CCCC1)O 1458a_100000242637_100000188475 [0,1,0,1,0,0|0,0,2]=4 6138 B14R1.10081 CCOC(=O)CC(C)N1CC(C1)CC 2230a_100015205115_100009817359 [0,1,0,1,0,0|2,0,0]=4 6139 B14R1.10081 CCOC(=O)CC(C)N1CC(C1)CC 269982a_100015205115_100009817359 [0,1,0,1,0,0|2,0,0]=4 6140 B14R1.18931 CCOC(=O)CC(C)C(=O)C1CC1C 1458a_100000211227_100009817359 [0,1,0,1,0,0|1,0,1]=4 6141 B14R1.621 CCOC(=O)CC(=O)CC1CCCC1 1458a_100000210891_100000188475 [0,1,0,1,0,0|0,0,2]=4 6142 B14R1.621 CCOC(=O)CC(=O)CC1CCCC1 1458a_100000243816_100000740388 [0,1,0,1,0,0|0,0,2]=4 6143 B14R1.621 CCOC(=O)CC(=O)CC1CCCO1 1458a_100000243816_100000203698 [0,1,0,1,0,0|0,0,2]=4 6144 B14R1.621 CCOC(=O)CC(=O)CC1CCOC1 1458a_100000243816_100000702531 [0,1,0,1,0,0|0,0,2]=4 6145 B14R1.621 CCOC(=O)CC(=O)CC1CCOC1 1458a_100011218419_100000188475 [0,1,0,1,0,0|0,0,2]=4 6146 B14R1.621 CCOC(=O)CC(=O)CN1CCCC1 1458a_100000740243_100000188475 [0,1,0,1,0,0|0,0,2]=4 6147 B14R1.621 CCOC(=O)CC(=O)CN1CCCC1 269982a_100000188435_100000210311 [0,1,0,1,0,0|0,0,2]=4 6148 B14R1.621 CCOC(=O)CC(=O)NC1CCCC1 240690a_100000211070_100000243816 [0,1,0,1,0,0|0,0,2]=4 6149 B14R1.621 CCOC(=O)CC(C)NC1CCCC1 2230a_100000211070_100009817359 [0,1,0,1,0,0|1,0,0]=3 6150 B14R1.621 CCOC(=O)CC(C)N[C@@H]1CCOC1 2230a_200015188469_100009817359 [0,1,0,1,0,0|2,0,0]=4 6151 B14R1.621 CCOC(=O)CC(C)N[C@H]1CCOC1 2230a_100015188467_100009817359 [0,1,0,1,0,0|2,0,0]=4 6152 B14R1.621 CCOC(=O)CC(C)OC1CCCC1 7a_100000210269_100009817359 [0,1,0,1,0,0|1,0,0]=3 6153 B14R1.621 CCOC(=O)CC(C)OC1CCSC1 7a_100011232664_100009817359 [0,1,0,1,0,0|2,0,0]=4 6154 B14R1.621 CCOC(=O)CC(C)SC1CCCC1 62a_100009817359_100000179811 [0,1,0,1,0,0|1,0,0]=3 6155 B14R1.621 CCOC(=O)CC(C)SC1CCCC1 62a_100011217020_100009817359 [0,1,0,1,0,0|1,0,0]=3 6156 B14R1.621 CCOC(=O)CC(C)SC1CCOC1 62a_100009817359_100000690089 [0,1,0,1,0,0|2,0,0]=4 6157 B14R1.621 CCOC(=O)CN(C)CC1CCCC1 2230a_100000220588_100000740388 [0,1,0,1,0,0|2,0,0]=4 6158 B14R1.621 CCOC(=O)CN(C)CC1CCCO1 2230a_100000220588_100000203698 [0,1,0,1,0,0|2,0,0]=4 6159 B14R1.621 CCOC(=O)CN(C)CC1CCCO1 2230a_100102946541_100000188475 [0,1,0,1,0,0|2,0,0]=4 6160 B14R1.621 CCOC(=O)CN(C)CC1CCCO1 269982a_100102946541_100000188475 [0,1,0,1,0,0|2,0,0]=4 6161 B14R1.621 CCOC(=O)CN(C)CC1CCCO1 34a_100102946541_100000188475 [0,1,0,1,0,0|2,0,0]=4 6162 B14R1.621 CCOC(=O)CN(C)CC1CCOC1 2230a_100000220588_100000702531 [0,1,0,1,0,0|2,0,0]=4 6163 B14R1.621 CCOC(=O)CN(C)CC1CCOC1 2230a_100000684583_100000188475 [0,1,0,1,0,0|2,0,0]=4 6164 B14R1.621 CCOC(=O)CN(C)CC1CCOC1 269982a_100000684583_100000188475 [0,1,0,1,0,0|2,0,0]=4 6165 B14R1.621 CCOC(=O)CN(C)CC1CCOC1 34a_100000684583_100000188475 [0,1,0,1,0,0|2,0,0]=4 6166 B14R1.621 CCOC(=O)C[C@@H](C)OC1CCCC1 7a_100009816390_100000179811 [0,1,0,1,0,0|1,0,0]=3 6167 B14R1.621 CCOC(=O)C[C@@H](C)OC1CCOC1 7a_100009816390_100000731011 [0,1,0,1,0,0|2,0,0]=4 6168 B14R1.621 CCOC(=O)C[C@H](O)CN1CC=CC1 269982a_100015195280_100000688340 [0,1,0,1,0,0|0,0,2]=4 6169 B14R1.621 CCOC(=O)C[C@H](O)CN1CCCC1 269982a_100000188435_100000688340 [0,1,0,1,0,0|0,0,0]=2 6170 B14R1.621 CCOC(=O)C[C@H](O)CN1CCSC1 269982a_100011215254_100000688340 [0,1,0,1,0,0|1,0,0]=3 6171 B14R1.621 CCOC(=O)OC(C)SC1CCCC1 62a_100000036008_100000179811 [0,1,0,1,0,0|2,0,0]=4 6172 B14R1.621 CCOC(=O)OC(C)SC1CCCC1 62a_100011217020_100000036008 [0,1,0,1,0,0|2,0,0]=4 6173 B14R1.952 CCOC(=O)CN1CC(CC(C1)C)C 2230a_100000210448_100000188475 [0,1,0,1,0,0|2,0,0]=4 6174 B14R1.952 CCOC(=O)CN1CC(CC(C1)C)C 269982a_100000210448_100000188475 [0,1,0,1,0,0|2,0,0]=4 6175 B14R1.952 CCOC(=O)CN1CC(CC(C1)C)C 34a_100000210448_100000188475 [0,1,0,1,0,0|2,0,0]=4 6176 B14R1.2627 CCOC(=O)CC(C)NC(C)C1CC1 2230a_100000700016_100009817359 [0,1,0,1,0,0|2,0,0]=4 6177 B14R1.2627 CCOC(=O)CC(C)OC(C)C1CC1 7a_100000744524_100009817359 [0,1,0,1,0,0|2,0,0]=4 6178 B14R1.2627 CCOC(=O)C[C@H](O)CN(C)C1CC1 269982a_100000226674_100000688340 [0,1,0,1,0,0|1,0,0]=3 6179 B14R1.3242 CCCC(C)CC(=O)C1CCOC1=O 1458a_100000748435_100000211211 [0,1,0,1,0,0|0,0,2]=4 6180 B14R1.3242 CCOC(=O)CC(=O)C1CCCC1C 1458a_100000690547_100000188475 [0,1,0,1,0,0|0,0,2]=4 6181 B14R1.3242 CCOC(=O)CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000243816 [0,1,0,1,0,0|0,0,2]=4 6182 B14R1.3242 CCOC(=O)CC(=O)N1CCC[C@H]1C 240690a_100015189458_100000243816 [0,1,0,1,0,0|0,0,2]=4 6183 B14R1.3242 CCOC(=O)CC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000188475 [0,1,0,1,0,0|0,0,2]=4 6184 B14R1.3242 CCOC(=O)CC(C)N1CCC[C@@H]1C 2230a_100020605311_100009817359 [0,1,0,1,0,0|1,0,0]=3 6185 B14R1.3242 CCOC(=O)CC(C)N1CCC[C@@H]1C 269982a_100020605311_100009817359 [0,1,0,1,0,0|1,0,0]=3 6186 B14R1.3242 CCOC(=O)CC(C)N1CCC[C@H]1C 2230a_100015189458_100009817359 [0,1,0,1,0,0|1,0,0]=3 6187 B14R1.3242 CCOC(=O)CC(C)N1CCC[C@H]1C 269982a_100015189458_100009817359 [0,1,0,1,0,0|1,0,0]=3 6188 B14R1.3242 CCOC(=O)CC(C)N1CCSC1C 2230a_200011216479_100009817359 [0,1,0,1,0,0|2,0,0]=4 6189 B14R1.3242 CCOC(=O)CC(C)N1CCSC1C 269982a_200011216479_100009817359 [0,1,0,1,0,0|2,0,0]=4 6190 B14R1.3242 CCOC(=O)CN(C)C1CCOC1C 270004a_100000220588_100000691750 [0,1,0,1,0,0|2,0,0]=4 6191 B14R1.3242 CCOC(=O)OC(C)N1CCC[C@@H]1C 269982a_100020605311_100000036008 [0,1,0,1,0,0|2,0,0]=4 6192 B14R1.3242 CCOC(=O)OC(C)N1CCC[C@H]1C 269982a_100015189458_100000036008 [0,1,0,1,0,0|2,0,0]=4 6193 B14R1.3244 CCOC(=O)CC(C)NC1CC(C1)F 2230a_100016993743_100009817359 [0,1,0,1,0,0|2,0,0]=4 6194 B14R1.3244 CCOC(=O)CC(C)N[C@H]1C[C@@H](C1)O 2230a_100020629032_100009817359 [0,1,0,1,0,0|2,0,0]=4 6195 B14R1.3244 CCOC(=O)C[C@H](O)CN1CC(C1)C 269982a_100000702820_100000688340 [0,1,0,1,0,0|1,0,0]=3 6196 B14R1.3244 CCOC(=O)C[C@H](O)CN1CC(C1)C 34a_100000702820_100000688340 [0,1,0,1,0,0|1,0,0]=3 6197 B14R1.3244 CCOC(=O)C[C@H](O)CN1CC(C1)F 269982a_100000690557_100000688340 [0,1,0,1,0,0|1,0,0]=3 6198 B14R1.3244 CCOC(=O)C[C@H](O)CN1CC(C1)F 34a_100000690557_100000688340 [0,1,0,1,0,0|1,0,0]=3 6199 B14R1.3244 CCOC(=O)C[C@H](O)CN1CC(C1)O 269982a_100000749847_100000688340 [0,1,0,1,0,0|1,0,0]=3 6200 B14R1.5456 CCCN1CC[C@@H](C1)CC(=O)OCC 2230a_106256037354_100000210303 [0,1,0,1,0,0|1,0,0]=3 6201 B14R1.5456 CCCN1CC[C@@H](C1)CC(=O)OCC 269982a_106256037354_100000210303 [0,1,0,1,0,0|1,0,0]=3 6202 B14R1.5456 CCOC(=O)CN1CCC(C1)CCO 2230a_100016987287_100000188475 [0,1,0,1,0,0|2,0,0]=4 6203 B14R1.5456 CCOC(=O)CN1CCC(C1)CCO 269982a_100016987287_100000188475 [0,1,0,1,0,0|2,0,0]=4 6204 B14R1.5456 CCOC(=O)CN1CCC(C1)CCO 34a_100016987287_100000188475 [0,1,0,1,0,0|2,0,0]=4 6205 B14R1.5456 CCOC(=O)CN1CCC(C1)COC 2230a_100025706693_100000188475 [0,1,0,1,0,0|2,0,0]=4 6206 B14R1.5456 CCOC(=O)CN1CCC(C1)COC 269982a_100025706693_100000188475 [0,1,0,1,0,0|2,0,0]=4 6207 B14R1.5456 CCOC(=O)CN1CCC(C1)COC 34a_100025706693_100000188475 [0,1,0,1,0,0|2,0,0]=4 6208 B14R1.5456 CCOC(=O)CN1CC[C@@H](C1)OCC 2230a_100011787710_100000188475 [0,1,0,1,0,0|2,0,0]=4 6209 B14R1.5456 CCOC(=O)CN1CC[C@@H](C1)OCC 269982a_100011787710_100000188475 [0,1,0,1,0,0|2,0,0]=4 6210 B14R1.5456 CCOC(=O)CN1CC[C@@H](C1)OCC 34a_100011787710_100000188475 [0,1,0,1,0,0|2,0,0]=4 6211 B14R1.5456 CCOC(=O)C[C@H]1CCN(C1)CCF 2230a_106256037354_100011217306 [0,1,0,1,0,0|2,0,0]=4 6212 B14R1.5456 CCOC(=O)C[C@H]1CCN(C1)CCF 269982a_106256037354_100011217306 [0,1,0,1,0,0|2,0,0]=4 6213 B14R1.5456 CCOC(=O)C[C@H]1CCN(C1)CCO 2230a_106256037354_100000211926 [0,1,0,1,0,0|2,0,0]=4 6214 B14R1.5456 CCOC(=O)C[C@H]1CCN(C1)CCO 269982a_106256037354_100000211926 [0,1,0,1,0,0|2,0,0]=4 6215 B14R1.5456 CCOC(=O)C[C@H]1CCN(C1)COC 2230a_106256037354_100000766300 [0,1,0,1,0,0|2,0,0]=4 6216 B14R1.5456 CCOC(=O)C[C@H]1CCN(C1)COC 269982a_106256037354_100000766300 [0,1,0,1,0,0|2,0,0]=4 6217 B14R1.5456 CCOC(=O)C[C@H]1CCN(C1)CSC 2230a_106256037354_100011218213 [0,1,0,1,0,0|2,0,0]=4 6218 B14R1.5456 CCOC(=O)C[C@H]1CCN(C1)CSC 269982a_106256037354_100011218213 [0,1,0,1,0,0|2,0,0]=4 6219 B14R1.7341 CCOC(=O)CN1CCCCC(C1)O 2230a_100025706797_100000188475 [0,1,0,1,0,0|2,0,0]=4 6220 B14R1.7341 CCOC(=O)CN1CCCCC(C1)O 269982a_100025706797_100000188475 [0,1,0,1,0,0|2,0,0]=4 6221 B14R1.10098 CCOC(=O)CC(=O)CC1(CCC1)C 1458a_100000243816_100000726658 [0,1,0,1,0,0|0,0,2]=4 6222 B14R1.10098 CCOC(=O)CC(C)NC1(CCC1)C 2230a_100000692455_100009817359 [0,1,0,1,0,0|2,0,0]=4 6223 B14R1.10098 CCOC(=O)CC(C)OC1(CCC1)C 7a_100000759064_100009817359 [0,1,0,1,0,0|2,0,0]=4 6224 B14R1.10098 CCOC(=O)CN(C)CC1(CCC1)C 2230a_100000220588_100000726658 [0,1,0,1,0,0|2,0,0]=4 6225 B14R1.34 CC1CCCC(C1)CC(=O)CCCF 1458a_100000748788_100011934791 [0,1,0,1,0,0|2,0,0]=4 6226 B14R1.34 CC1CCCC(C1)CC(=O)CCCO 1458a_100000748788_100011215043 [0,1,0,1,0,0|2,0,0]=4 6227 B14R1.34 CC1CCCC(C1)CC(=O)NCCF 11a_100000724931_100000748788 [0,1,0,1,0,0|2,0,0]=4 6228 B14R1.34 CC1CCCC(C1)CC(=O)NCCF 1626a_100000724931_100000748788 [0,1,0,1,0,0|2,0,0]=4 6229 B14R1.34 CC1CCCC(C1)CC(=O)NCCF 240690a_100000724931_100000748788 [0,1,0,1,0,0|2,0,0]=4 6230 B14R1.34 CC1CCCC(C1)CC(=O)NCCF 527a_100000724931_100000748788 [0,1,0,1,0,0|2,0,0]=4 6231 B14R1.34 CC1CCCC(C1)CC(=O)NCCO 240690a_100000210304_100000748788 [0,1,0,1,0,0|2,0,0]=4 6232 B14R1.34 CC1CCCC(C1)CC(=O)NCCO 527a_100000210304_100000748788 [0,1,0,1,0,0|2,0,0]=4 6233 B14R1.34 CCCCC(=O)CC1CCCC(C1)C 1458a_100000748788_100000210211 [0,1,0,1,0,0|2,0,0]=4 6234 B14R1.34 CCCNC(=O)CC1CCCC(C1)C 11a_100020643023_100000748788 [0,1,0,1,0,0|2,0,0]=4 6235 B14R1.34 CCCNC(=O)CC1CCCC(C1)C 1626a_100020643023_100000748788 [0,1,0,1,0,0|2,0,0]=4 6236 B14R1.34 CCCNC(=O)CC1CCCC(C1)C 240690a_100020643023_100000748788 [0,1,0,1,0,0|2,0,0]=4 6237 B14R1.34 CCCNC(=O)CC1CCCC(C1)C 527a_100020643023_100000748788 [0,1,0,1,0,0|2,0,0]=4 6238 B14R1.34 CCCOC(=O)CN1CCC[C@@H](C1)C 2230a_100000717927_200011215008 [0,1,0,1,0,0|2,0,0]=4 6239 B14R1.34 CCCOC(=O)CN1CCC[C@@H](C1)C 269982a_100000717927_200011215008 [0,1,0,1,0,0|2,0,0]=4 6240 B14R1.34 CCCOC(=O)CN1CCC[C@@H](C1)C 34a_100000717927_200011215008 [0,1,0,1,0,0|2,0,0]=4 6241 B14R1.34 CCNNC(=O)CC1CCCC(C1)C 22a_100000756455_100000748788 [0,1,0,1,0,0|2,0,0]=4 6242 B14R1.34 CCOCC(=O)CC1CCCN(C1)C 1458a_100000211967_100015183302 [0,1,0,1,0,0|2,0,0]=4 6243 B14R1.34 CCOCC(=O)NC1CCCC(C1)C 11a_100011194320_100000211967 [0,1,0,1,0,0|2,0,0]=4 6244 B14R1.34 CCOCC(=O)NC1CCCC(C1)C 1626a_100011194320_100000211967 [0,1,0,1,0,0|2,0,0]=4 6245 B14R1.34 CCOCC(=O)NC1CCCC(C1)C 240690a_100011194320_100000211967 [0,1,0,1,0,0|2,0,0]=4 6246 B14R1.34 CCOCC(=O)NC1CCCC(C1)C 527a_100011194320_100000211967 [0,1,0,1,0,0|2,0,0]=4 6247 B14R1.34 COCCC(=O)CC1CCCC(C1)C 1458a_100000748788_100000233755 [0,1,0,1,0,0|2,0,0]=4 6248 B14R1.34 CSCCC(=O)CC1CCCC(C1)C 1458a_100000748788_100000751147 [0,1,0,1,0,0|2,0,0]=4 6249 B14R1.137 CCCOC(=O)CC(=O)C1CCCC1 1458a_100000210718_200011215008 [0,1,0,1,0,0|0,0,2]=4 6250 B14R1.137 CCCOC(=O)CN(C)C1CCCC1 2230a_100000207505_200011215008 [0,1,0,1,0,0|2,0,0]=4 6251 B14R1.137 CCCOC(=O)CN(C)C1CCCC1 269982a_100000207505_200011215008 [0,1,0,1,0,0|2,0,0]=4 6252 B14R1.137 CCCOC(=O)CN(C)C1CCCC1 34a_100000207505_200011215008 [0,1,0,1,0,0|2,0,0]=4 6253 B14R1.137 CCOCC(=O)CC(C)N1CCCC1 1458a_100000211967_200015187269 [0,1,0,1,0,0|2,0,0]=4 6254 B14R1.137 CCOCC(=O)NC(C)C1CCCC1 11a_100015185923_100000211967 [0,1,0,1,0,0|2,0,0]=4 6255 B14R1.137 CCOCC(=O)NC(C)C1CCCC1 1626a_100015185923_100000211967 [0,1,0,1,0,0|2,0,0]=4 6256 B14R1.137 CCOCC(=O)NC(C)C1CCCC1 240690a_100015185923_100000211967 [0,1,0,1,0,0|2,0,0]=4 6257 B14R1.137 CCOCC(=O)NC(C)C1CCCC1 527a_100015185923_100000211967 [0,1,0,1,0,0|2,0,0]=4 6258 B14R1.938 CCOCC(=O)C1CCCCCC1=O 1458a_100000211967_100000243696 [0,1,0,1,0,0|0,0,2]=4 6259 B14R1.2488 CCOCC(=O)CC1CCN(C1)CC 1458a_100000211967_100015184589 [0,1,0,1,0,0|2,0,0]=4 6260 B14R1.2596 CCC#CC(=O)CC1CCCCCC1 1458a_100011827653_200000696569 [0,1,0,1,0,0|2,0,0]=4 6261 B14R1.2596 CCC=CC(=O)CC1CCCCCC1 1458a_100000212282_200000696569 [0,1,0,1,0,0|2,0,0]=4 6262 B14R1.2596 CCCCC(=O)CC1CCCCCC1 1458a_100000210183_200000696569 [0,1,0,1,0,0|2,0,0]=4 6263 B14R1.2596 CCCCC(=O)CC1CCCCCC1 1458a_100000685095_100000210211 [0,1,0,1,0,0|2,0,0]=4 6264 B14R1.2596 CCCNC(=O)CC1CCCCCC1 11a_100020643023_100000685095 [0,1,0,1,0,0|2,0,0]=4 6265 B14R1.2596 CCCNC(=O)CC1CCCCCC1 1626a_100020643023_100000685095 [0,1,0,1,0,0|2,0,0]=4 6266 B14R1.2596 CCCNC(=O)CC1CCCCCC1 240690a_100020643023_100000685095 [0,1,0,1,0,0|2,0,0]=4 6267 B14R1.2596 CCCNC(=O)CC1CCCCCC1 527a_100020643023_100000685095 [0,1,0,1,0,0|2,0,0]=4 6268 B14R1.2596 CCCOC(=O)CN1CCCCCC1 2230a_100000185865_200011215008 [0,1,0,1,0,0|2,0,0]=4 6269 B14R1.2596 CCCOC(=O)CN1CCCCCC1 269982a_100000185865_200011215008 [0,1,0,1,0,0|2,0,0]=4 6270 B14R1.2596 CCCOC(=O)CN1CCCCCC1 34a_100000185865_200011215008 [0,1,0,1,0,0|2,0,0]=4 6271 B14R1.2596 CCNNC(=O)CC1CCCCCC1 22a_100000756455_100000685095 [0,1,0,1,0,0|2,0,0]=4 6272 B14R1.2596 CCOCC(=O)CC1CCCCCC1 1458a_100000211967_200000696569 [0,1,0,1,0,0|1,0,0]=3 6273 B14R1.2596 CCOCC(=O)NC1CCCCCC1 11a_100000210984_100000211967 [0,1,0,1,0,0|2,0,0]=4 6274 B14R1.2596 CCOCC(=O)NC1CCCCCC1 1626a_100000210984_100000211967 [0,1,0,1,0,0|2,0,0]=4 6275 B14R1.2596 CCOCC(=O)NC1CCCCCC1 240690a_100000210984_100000211967 [0,1,0,1,0,0|2,0,0]=4 6276 B14R1.2596 CCOCC(=O)NC1CCCCCC1 34a_100121572206_100000183474 [0,1,0,1,0,0|2,0,0]=4 6277 B14R1.2596 CCOCC(=O)NC1CCCCCC1 527a_100000210984_100000211967 [0,1,0,1,0,0|2,0,0]=4 6278 B14R1.2596 CCSCC(=O)CC1CCCCCC1 1458a_100000230394_200000696569 [0,1,0,1,0,0|1,1,0]=4 6279 B14R1.2596 COCCC(=O)CC1CCCCCC1 1458a_100000685095_100000233755 [0,1,0,1,0,0|2,0,0]=4 6280 B14R1.2596 COCCC(=O)CC1CCCCCC1 1458a_100000749529_200000696569 [0,1,0,1,0,0|2,0,0]=4 6281 B14R1.2596 CSCCC(=O)CC1CCCCCC1 1458a_100000174002_200000696569 [0,1,0,1,0,0|2,0,0]=4 6282 B14R1.2596 CSCCC(=O)CC1CCCCCC1 1458a_100000685095_100000751147 [0,1,0,1,0,0|2,0,0]=4 6283 B14R1.2596 O=C(CC1CCCCCC1)NCCF 11a_100000724931_100000685095 [0,1,0,1,0,0|2,0,0]=4 6284 B14R1.2596 O=C(CC1CCCCCC1)NCCF 1626a_100000724931_100000685095 [0,1,0,1,0,0|2,0,0]=4 6285 B14R1.2596 O=C(CC1CCCCCC1)NCCF 240690a_100000724931_100000685095 [0,1,0,1,0,0|2,0,0]=4 6286 B14R1.2596 O=C(CC1CCCCCC1)NCCF 527a_100000724931_100000685095 [0,1,0,1,0,0|2,0,0]=4 6287 B14R1.2596 O=C(CC1CCCCCC1)NCCO 240690a_100000210304_100000685095 [0,1,0,1,0,0|2,0,0]=4 6288 B14R1.2596 O=C(CC1CCCCCC1)NCCO 527a_100000210304_100000685095 [0,1,0,1,0,0|2,0,0]=4 6289 B14R1.2596 O=C(CCCF)CC1CCCCCC1 1458a_100000685095_100011934791 [0,1,0,1,0,0|2,0,0]=4 6290 B14R1.2596 O=C(CCCO)CC1CCCCCC1 1458a_100000685095_100011215043 [0,1,0,1,0,0|2,0,0]=4 6291 B14R1.3444 CCCCCC(=O)CC(=O)C1CCO1 1458a_100000089072_200012276598 [0,1,0,1,0,0|0,0,2]=4 6292 B14R1.3444 CCCCCC(C)NC(=O)C1CCO1 11a_100000211957_100000089072 [0,1,0,1,0,0|2,0,0]=4 6293 B14R1.3444 CCCCCC(C)NC(=O)C1CCO1 1626a_100000211957_100000089072 [0,1,0,1,0,0|2,0,0]=4 6294 B14R1.3444 CCCCCC(C)NC(=O)C1CCO1 240690a_100000211957_100000089072 [0,1,0,1,0,0|2,0,0]=4 6295 B14R1.3444 CCCCCC(C)NC(=O)C1CCO1 527a_100000211957_100000089072 [0,1,0,1,0,0|2,0,0]=4 6296 B14R1.4286 CCCOC(=O)CC(=O)C1CC1CC 1458a_200011661523_200011215008 [0,1,0,1,0,0|0,0,2]=4 6297 B14R1.4288 CCCOC(=O)CC(=O)CC1CCC1 1458a_100000763092_200011215008 [0,1,0,1,0,0|0,0,2]=4 6298 B14R1.4288 CCCOC(=O)CN(C)CC1CCC1 2230a_200000750244_200011215008 [0,1,0,1,0,0|2,0,0]=4 6299 B14R1.4288 CCCOC(=O)CN(C)CC1CCC1 269982a_200000750244_200011215008 [0,1,0,1,0,0|2,0,0]=4 6300 B14R1.4288 CCCOC(=O)CN(C)CC1CCC1 34a_200000750244_200011215008 [0,1,0,1,0,0|2,0,0]=4 6301 B14R1.4289 CCCOC(=O)CC(=O)CCC1CC1 1458a_100000756386_200011215008 [0,1,0,1,0,0|0,0,2]=4 6302 B14R1.8282 CCOCC(=O)N1C(CCCC1C)C 11a_100000210447_100000211967 [0,1,0,1,0,0|2,0,0]=4 6303 B14R1.8282 CCOCC(=O)N1C(CCCC1C)C 240690a_100000210447_100000211967 [0,1,0,1,0,0|2,0,0]=4 6304 B14R1.8404 C#CCCC(=O)CC1(CCCCC1)O 1458a_100000755886_100000753159 [0,1,0,1,0,0|1,0,1]=4 6305 B14R1.8404 C#CCNC(=O)CC1(CCCCC1)O 240690a_100000212058_100000755886 [0,1,0,1,0,0|1,0,1]=4 6306 B14R1.8404 C#CCNC(=O)CC1(CCCCC1)O 527a_100000212058_100000755886 [0,1,0,1,0,0|1,0,1]=4 6307 B14R1.8404 C/C=C/CC(=O)CC1(CCCCC1)O 1458a_100000755886_100102629194 [0,1,0,1,0,0|1,0,1]=4 6308 B14R1.8404 C=CCCC(=O)CC1(CCCCC1)O 1458a_100000755886_100000754431 [0,1,0,1,0,0|1,0,1]=4 6309 B14R1.8404 C=CCNC(=O)CC1(CCCCC1)O 240690a_100020586998_100000755886 [0,1,0,1,0,0|1,0,1]=4 6310 B14R1.8404 C=CCNC(=O)CC1(CCCCC1)O 527a_100020586998_100000755886 [0,1,0,1,0,0|1,0,1]=4 6311 B14R1.8404 CC#CCC(=O)CC1(CCCCC1)O 1458a_100000755886_100000748600 [0,1,0,1,0,0|1,0,1]=4 6312 B14R1.8404 CC=CCC(=O)CC1(CCCCC1)O 1458a_100000755886_100000070051 [0,1,0,1,0,0|1,0,1]=4 6313 B14R1.8404 CCCCC(=O)CC1(CCCCC1)O 1458a_100000755886_100000210211 [0,1,0,1,0,0|1,0,0]=3 6314 B14R1.8404 CCCNC(=O)CC1(CCCCC1)O 240690a_100020643023_100000755886 [0,1,0,1,0,0|1,0,0]=3 6315 B14R1.8404 CCCNC(=O)CC1(CCCCC1)O 527a_100020643023_100000755886 [0,1,0,1,0,0|1,0,0]=3 6316 B14R1.8404 CCNNC(=O)CC1(CCCCC1)O 22a_100000756455_100000755886 [0,1,0,1,0,0|1,0,0]=3 6317 B14R1.8404 CCOCC(=O)NC1(CCCCC1)C 11a_100000741114_100000211967 [0,1,0,1,0,0|2,0,0]=4 6318 B14R1.8404 CCOCC(=O)NC1(CCCCC1)C 1626a_100000741114_100000211967 [0,1,0,1,0,0|2,0,0]=4 6319 B14R1.8404 CCOCC(=O)NC1(CCCCC1)C 240690a_100000741114_100000211967 [0,1,0,1,0,0|2,0,0]=4 6320 B14R1.8404 CCOCC(=O)NC1(CCCCC1)C 527a_100000741114_100000211967 [0,1,0,1,0,0|2,0,0]=4 6321 B14R1.8404 COCCC(=O)CC1(CCCCC1)O 1458a_100000755886_100000233755 [0,1,0,1,0,0|1,0,0]=3 6322 B14R1.8404 CSCCC(=O)CC1(CCCCC1)O 1458a_100000755886_100000751147 [0,1,0,1,0,0|1,0,0]=3 6323 B14R1.8404 N#CCCC(=O)CC1(CCCCC1)O 1458a_100000755886_100011215226 [0,1,0,1,0,0|1,0,1]=4 6324 B14R1.8404 N#CCNC(=O)CC1(CCCCC1)O 527a_100000734998_100000755886 [0,1,0,1,0,0|1,0,1]=4 6325 B14R1.8404 O=C(CC1(CCCCC1)O)NCCF 240690a_100000724931_100000755886 [0,1,0,1,0,0|1,0,0]=3 6326 B14R1.8404 O=C(CC1(CCCCC1)O)NCCF 527a_100000724931_100000755886 [0,1,0,1,0,0|1,0,0]=3 6327 B14R1.8404 O=C(CC1(CCCCC1)O)NCCO 240690a_100000210304_100000755886 [0,1,0,1,0,0|1,0,0]=3 6328 B14R1.8404 O=C(CC1(CCCCC1)O)NCCO 527a_100000210304_100000755886 [0,1,0,1,0,0|1,0,0]=3 6329 B14R1.8404 O=C(CCCF)CC1(CCCCC1)O 1458a_100000755886_100011934791 [0,1,0,1,0,0|1,0,0]=3 6330 B14R1.8404 O=C(CCCO)CC1(CCCCC1)O 1458a_100000755886_100011215043 [0,1,0,1,0,0|1,0,0]=3 6331 B14R1.226 CCCCCNC1CC(=O)N(C1)CC 2230a_100015184948_100000210326 [0,1,0,1,0,0|2,0,0]=4 6332 B14R1.226 CCCCCNC1CC(=O)N(C1)CC 34a_100015184948_100000718602 [0,1,0,1,0,0|2,0,0]=4 6333 B14R1.226 CCCCNCC1CC(=O)N(C1)CC 2230a_100011935115_100000210211 [0,1,0,1,0,0|2,0,0]=4 6334 B14R1.226 CCCCNCC1CC(=O)N(C1)CC 34a_100011935115_100000210210 [0,1,0,1,0,0|2,0,0]=4 6335 B14R1.226 CCCCOCC1CC(=O)N(C1)CC 34a_100000758270_100000210210 [0,1,0,1,0,0|2,0,0]=4 6336 B14R1.226 CCCCOCC1CC(=O)N(C1)CC 7a_100000758270_100000210211 [0,1,0,1,0,0|2,0,0]=4 6337 B14R1.962 CCOC(=O)CC1CCCN(C1)CC 2230a_100015200144_100000210202 [0,1,0,1,0,0|1,0,0]=3 6338 B14R1.962 CCOC(=O)CC1CCCN(C1)CC 269982a_100015200144_100000204670 [0,1,0,1,0,0|1,0,0]=3 6339 B14R1.962 CCOC(=O)CC1CCCN(C1)CF 269982a_100015200144_100015361967 [0,1,0,1,0,0|2,0,0]=4 6340 B14R1.962 CCOC(=O)CN1CCCC(C1)CF 2230a_100016992999_100000188475 [0,1,0,1,0,0|2,0,0]=4 6341 B14R1.962 CCOC(=O)CN1CCCC(C1)CF 269982a_100016992999_100000188475 [0,1,0,1,0,0|2,0,0]=4 6342 B14R1.962 CCOC(=O)CN1CCCC(C1)CF 34a_100016992999_100000188475 [0,1,0,1,0,0|2,0,0]=4 6343 B14R1.962 CCOC(=O)CN1CCCC(C1)CO 2230a_100000211344_100000188475 [0,1,0,1,0,0|2,0,0]=4 6344 B14R1.962 CCOC(=O)CN1CCCC(C1)CO 269982a_100000211344_100000188475 [0,1,0,1,0,0|2,0,0]=4 6345 B14R1.962 CCOC(=O)CN1CCCC(C1)CO 34a_100000211344_100000188475 [0,1,0,1,0,0|2,0,0]=4 6346 B14R1.962 CCOC(=O)CN1CCCC(C1)OC 2230a_100000695604_100000188475 [0,1,0,1,0,0|2,0,0]=4 6347 B14R1.962 CCOC(=O)CN1CCCC(C1)OC 269982a_100000695604_100000188475 [0,1,0,1,0,0|2,0,0]=4 6348 B14R1.962 CCOC(=O)CN1CCCC(C1)OC 34a_100000695604_100000188475 [0,1,0,1,0,0|2,0,0]=4 6349 B14R1.962 CCOC(=O)CN1CCOC(C1)CC 2230a_100000736320_100000188475 [0,1,0,1,0,0|2,0,0]=4 6350 B14R1.962 CCOC(=O)CN1CCOC(C1)CC 269982a_100000736320_100000188475 [0,1,0,1,0,0|2,0,0]=4 6351 B14R1.962 CCOC(=O)CN1CCOC(C1)CC 34a_100000736320_100000188475 [0,1,0,1,0,0|2,0,0]=4 6352 B14R1.3360 CCCCCCC(=O)C1CCOC1=O 1458a_100102632555_100000211211 [0,1,0,1,0,0|0,0,2]=4 6353 B14R1.3360 CCCCCCN(C)C1CCOC1=O 2230a_106256046315_100000211211 [0,1,0,1,0,0|2,0,0]=4 6354 B14R1.3360 CCCCCCN(C)C1CCOC1=O 269982a_106256046315_100000211211 [0,1,0,1,0,0|2,0,0]=4 6355 B14R1.3360 CCCCOCC(=O)C1CCOC1=O 1458a_100000757543_100000211211 [0,1,0,1,0,0|0,0,2]=4 6356 B14R1.3360 CCCCSCC(=O)C1CCOC1=O 1458a_100000191162_100000211211 [0,1,0,1,0,0|0,0,2]=4 6357 B14R1.3360 CN(CCCCCO)C1CCOC1=O 2230a_100000722520_100000211211 [0,1,0,1,0,0|2,0,0]=4 6358 B14R1.3360 CN(CCCCCO)C1CCOC1=O 269982a_100000722520_100000211211 [0,1,0,1,0,0|2,0,0]=4 6359 B14R1.3360 O=C(CCCCCO)C1CCOC1=O 1458a_100102619762_100000211211 [0,1,0,1,0,0|0,0,2]=4 6360 B14R1.7236 CCOC(=O)CC(C)OCC1CC1C 7a_100000744939_100009817359 [0,1,0,1,0,0|1,0,0]=3 6361 B14R1.7236 CCOC(=O)C[C@H](O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000688340 [0,1,0,1,0,0|1,0,0]=3 6362 B14R1.7237 CCOC(=O)CC(=O)CSC1CCC1 62a_100000210311_100000749161 [0,1,0,1,0,0|0,0,2]=4 6363 B14R1.7237 CCOC(=O)CC(=O)NCC1CCC1 240690a_100000738700_100000243816 [0,1,0,1,0,0|0,0,2]=4 6364 B14R1.7237 CCOC(=O)CC(C)NCC1CCC1 2230a_100000738700_100009817359 [0,1,0,1,0,0|1,0,0]=3 6365 B14R1.7237 CCOC(=O)CC(C)NCC1COC1 2230a_100015281925_100009817359 [0,1,0,1,0,0|2,0,0]=4 6366 B14R1.7237 CCOC(=O)CC(C)NC[C@@H]1CCO1 2230a_100020831831_100009817359 [0,1,0,1,0,0|2,0,0]=4 6367 B14R1.7237 CCOC(=O)CC(C)SCC1CCC1 62a_100000763275_100009817359 [0,1,0,1,0,0|1,0,0]=3 6368 B14R1.7237 CCOC(=O)CC(C)SCC1CCC1 62a_100009817359_100000763275 [0,1,0,1,0,0|1,0,0]=3 6369 B14R1.7237 CCOC(=O)CC(C)SCC1CCO1 62a_100000103362_100009817359 [0,1,0,1,0,0|2,0,0]=4 6370 B14R1.7237 CCOC(=O)CC(C)SCC1CCO1 62a_100009817359_100000103362 [0,1,0,1,0,0|2,0,0]=4 6371 B14R1.7237 CCOC(=O)CC(C)SCC1COC1 62a_100009817359_100010264016 [0,1,0,1,0,0|2,0,0]=4 6372 B14R1.7237 CCOC(=O)CC(C)SCC1COC1 62a_100010264016_100009817359 [0,1,0,1,0,0|2,0,0]=4 6373 B14R1.7237 CCOC(=O)C[C@@H](C)OCC1CCC1 7a_100009816390_100000763275 [0,1,0,1,0,0|1,0,0]=3 6374 B14R1.7237 CCOC(=O)C[C@@H](C)OCC1CCO1 7a_100009816390_100000103362 [0,1,0,1,0,0|2,0,0]=4 6375 B14R1.7237 CCOC(=O)C[C@@H](C)OCC1COC1 7a_100009816390_100010264016 [0,1,0,1,0,0|2,0,0]=4 6376 B14R1.7237 CCOC(=O)C[C@H](O)CNC1CCC1 34a_100000749019_100000688340 [0,1,0,1,0,0|0,0,0]=2 6377 B14R1.7237 CCOC(=O)C[C@H](O)COC1CCC1 34a_100000748187_100000688340 [0,1,0,1,0,0|0,0,0]=2 6378 B14R1.7237 CCOC(=O)C[C@H](O)COC1CSC1 7a_100000072292_100000688340 [0,1,0,1,0,0|1,0,0]=3 6379 B14R1.7237 CCOC(=O)C[C@H](O)CSC1CCC1 62a_100000688340_100000749161 [0,1,0,1,0,0|0,0,0]=2 6380 B14R1.7237 CCOC(=O)C[C@H](O)CSC1COC1 62a_100000688340_100009818527 [0,1,0,1,0,0|1,0,0]=3 6381 B14R1.7237 CCOC(=O)OC(C)SCC1CCC1 62a_100000036008_100000763275 [0,1,0,1,0,0|2,0,0]=4 6382 B14R1.7237 CCOC(=O)OC(C)SCC1CCC1 62a_100000763275_100000036008 [0,1,0,1,0,0|2,0,0]=4 6383 B14R1.7238 CCOC(=O)CC(=O)CCCC1CO1 1458a_100000243816_100000733510 [0,1,0,1,0,0|0,0,2]=4 6384 B14R1.7238 CCOC(=O)CC(=O)CSCC1CC1 1458a_200011316215_100000188475 [0,1,0,1,0,0|0,0,2]=4 6385 B14R1.7238 CCOC(=O)CC(=O)CSCC1CC1 62a_100000210311_100000742324 [0,1,0,1,0,0|0,0,2]=4 6386 B14R1.7238 CCOC(=O)CC(=O)CSCC1CC1 62a_100000756562_100000210311 [0,1,0,1,0,0|0,0,2]=4 6387 B14R1.7238 CCOC(=O)CC(=O)NCCC1CC1 240690a_100000764129_100000243816 [0,1,0,1,0,0|0,0,2]=4 6388 B14R1.7238 CCOC(=O)CC(C)OCCC1CC1 7a_100000754188_100009817359 [0,1,0,1,0,0|1,0,0]=3 6389 B14R1.7238 CCOC(=O)CC(C)SCCC1CC1 62a_100000764125_100009817359 [0,1,0,1,0,0|1,0,0]=3 6390 B14R1.7238 CCOC(=O)CC(C)SCCC1CC1 62a_100009817359_100000764125 [0,1,0,1,0,0|1,0,0]=3 6391 B14R1.7238 CCOC(=O)CC(C)SCCC1CO1 62a_100000732470_100009817359 [0,1,0,1,0,0|2,0,0]=4 6392 B14R1.7238 CCOC(=O)CC(C)SCCC1CO1 62a_100009817359_100000732470 [0,1,0,1,0,0|2,0,0]=4 6393 B14R1.7238 CCOC(=O)CN(C)CCCC1CO1 2230a_100000220588_100000733510 [0,1,0,1,0,0|2,0,0]=4 6394 B14R1.7238 CCOC(=O)C[C@@H](C)OCCC1CC1 7a_100009816390_100000764125 [0,1,0,1,0,0|1,0,0]=3 6395 B14R1.7238 CCOC(=O)C[C@@H](C)OCCC1CO1 7a_100009816390_100000732470 [0,1,0,1,0,0|2,0,0]=4 6396 B14R1.7238 CCOC(=O)C[C@H](O)CNCC1CC1 34a_100000735609_100000688340 [0,1,0,1,0,0|0,0,0]=2 6397 B14R1.7238 CCOC(=O)C[C@H](O)COCC1CC1 34a_100000211283_100000688340 [0,1,0,1,0,0|0,0,0]=2 6398 B14R1.7238 CCOC(=O)C[C@H](O)COC[C@@H]1CO1 34a_100000757423_100000688340 [0,1,0,1,0,0|1,0,0]=3 6399 B14R1.7238 CCOC(=O)C[C@H](O)CSCC1CC1 62a_100000688340_100000742324 [0,1,0,1,0,0|0,0,0]=2 6400 B14R1.7238 CCOC(=O)C[C@H](O)CSCC1CC1 62a_100000756562_100000688340 [0,1,0,1,0,0|0,0,0]=2 6401 B14R1.7238 CCOC(=O)C[C@H](O)CSCC1CO1 62a_100000688340_102125554688 [0,1,0,1,0,0|1,0,0]=3 6402 B14R1.7238 CCOC(=O)C[C@H](O)CSCC1CO1 62a_102125554688_100000688340 [0,1,0,1,0,0|1,0,0]=3 6403 B14R1.7238 CCOC(=O)C[C@H](O)CSCC1CS1 62a_100000031435_100000688340 [0,1,0,1,0,0|1,0,0]=3 6404 B14R1.7238 CCOC(=O)C[C@H](O)CSCC1CS1 62a_100000688340_100000031435 [0,1,0,1,0,0|1,0,0]=3 6405 B14R1.7238 CCOC(=O)C[C@H](O)CSC[C@@H]1CO1 62a_100000688340_100000745022 [0,1,0,1,0,0|1,0,0]=3 6406 B14R1.7238 CCOC(=O)C[C@H](O)CSC[C@@H]1CO1 62a_100000745022_100000688340 [0,1,0,1,0,0|1,0,0]=3 6407 B14R1.7238 CCOC(=O)OC(C)SCCC1CC1 62a_100000036008_100000764125 [0,1,0,1,0,0|2,0,0]=4 6408 B14R1.7238 CCOC(=O)OC(C)SCCC1CC1 62a_100000764125_100000036008 [0,1,0,1,0,0|2,0,0]=4 6409 B14R1.7239 CCOC(=O)CC(=O)CN1CCC1C 269982a_100000755817_100000210311 [0,1,0,1,0,0|0,0,2]=4 6410 B14R1.7239 CCOC(=O)C[C@H](O)CN1CCC1C 269982a_100000755817_100000688340 [0,1,0,1,0,0|0,0,0]=2 6411 B14R1.7239 CCOC(=O)C[C@H](O)CN1CCC1C 34a_100000755817_100000688340 [0,1,0,1,0,0|0,0,0]=2 6412 B14R1.7343 CCOC(=O)CN1CCCCCCC1 2230a_100000211400_100000188475 [0,1,0,1,0,0|2,0,0]=4 6413 B14R1.7343 CCOC(=O)CN1CCCCCCC1 269982a_100000211400_100000188475 [0,1,0,1,0,0|2,0,0]=4 6414 B14R1.7343 CCOC(=O)CN1CCCCCCC1 34a_100000211400_100000188475 [0,1,0,1,0,0|2,0,0]=4 6415 B14R1.7503 CCCOC1CC(C1)CC(=O)OCC 7a_100010742785_100000210303 [0,1,0,1,0,0|1,0,0]=3 6416 B14R1.7503 CCCOC1CN(C1)CC(=O)OCC 269982a_200020626125_100000188475 [0,1,0,1,0,0|2,0,0]=4 6417 B14R1.7503 CCCOC1CN(C1)CC(=O)OCC 34a_200020626125_100000188475 [0,1,0,1,0,0|2,0,0]=4 6418 B14R1.7503 CCOC(=O)CC1CC(C1)OCCF 7a_100010742785_100011217306 [0,1,0,1,0,0|2,0,0]=4 6419 B14R1.7503 CCOC(=O)CC1CC(C1)OCCO 7a_100010742785_100000211926 [0,1,0,1,0,0|2,0,0]=4 6420 B14R1.953 CCOC(=O)C[C@H]1CCN(C1)C(C)C 2230a_106256037354_100000210206 [0,1,0,1,0,0|2,0,0]=4 6421 B14R1.953 CCOC(=O)C[C@H]1CCN(C1)C(C)C 269982a_106256037354_100000210206 [0,1,0,1,0,0|2,0,0]=4 6422 B14R1.2643 CCOC(=O)CN1CCCC(C1)(C)C 2230a_100000716857_100000188475 [0,1,0,1,0,0|2,0,0]=4 6423 B14R1.2643 CCOC(=O)CN1CCCC(C1)(C)C 269982a_100000716857_100000188475 [0,1,0,1,0,0|2,0,0]=4 6424 B14R1.2643 CCOC(=O)CN1CCCC(C1)(C)C 34a_100000716857_100000188475 [0,1,0,1,0,0|2,0,0]=4 6425 B14R1.2643 CCOC(=O)CN1CCCC(C1)(C)O 2230a_100000695535_100000188475 [0,1,0,1,0,0|2,0,0]=4 6426 B14R1.2643 CCOC(=O)CN1CCCC(C1)(C)O 269982a_100000695535_100000188475 [0,1,0,1,0,0|2,0,0]=4 6427 B14R1.4488 CC(C)CCCC(=O)C1CCOC1=O 1458a_100011216857_100000211211 [0,1,0,1,0,0|0,0,2]=4 6428 B14R1.7342 CCOC(=O)CN1CCCC(CC1)C 2230a_100025706717_100000188475 [0,1,0,1,0,0|2,0,0]=4 6429 B14R1.7342 CCOC(=O)CN1CCCC(CC1)C 269982a_100025706717_100000188475 [0,1,0,1,0,0|2,0,0]=4 6430 B14R1.7342 CCOC(=O)CN1CCCC(CC1)C 34a_100025706717_100000188475 [0,1,0,1,0,0|2,0,0]=4 6431 B14R1.7342 CCOC(=O)CN1CCCC(CC1)O 2230a_100015186869_100000188475 [0,1,0,1,0,0|2,0,0]=4 6432 B14R1.7342 CCOC(=O)CN1CCCC(CC1)O 269982a_100015186869_100000188475 [0,1,0,1,0,0|2,0,0]=4 6433 B14R1.7347 CCOC(=O)CC1CC(C1)OC(C)C 7a_100010742785_100000210206 [0,1,0,1,0,0|2,0,0]=4 6434 B14R1.7347 CCOC(=O)CN1CC(C1)CC(C)C 2230a_214813039686_100000188475 [0,1,0,1,0,0|2,0,0]=4 6435 B14R1.7347 CCOC(=O)CN1CC(C1)CC(C)C 269982a_214813039686_100000188475 [0,1,0,1,0,0|2,0,0]=4 6436 B14R1.7347 CCOC(=O)CN1CC(C1)CC(C)C 34a_214813039686_100000188475 [0,1,0,1,0,0|2,0,0]=4 6437 B14R1.807 CC(C)OC(=O)CC(=O)C1CCCC1 1458a_100000210718_100011215430 [0,1,0,1,0,0|0,0,2]=4 6438 B14R1.807 CC(C)OC(=O)CN(C)C1CCCC1 2230a_100000207505_100011215430 [0,1,0,1,0,0|2,0,0]=4 6439 B14R1.807 CC(C)OC(=O)CN(C)C1CCCC1 269982a_100000207505_100011215430 [0,1,0,1,0,0|2,0,0]=4 6440 B14R1.807 CC(C)OC(=O)CN(C)C1CCCC1 34a_100000207505_100011215430 [0,1,0,1,0,0|2,0,0]=4 6441 B14R1.1461 CC(C)OC(=O)CC(=O)CC1CCC1 1458a_100000763092_100011215430 [0,1,0,1,0,0|0,0,2]=4 6442 B14R1.1461 CC(C)OC(=O)CN(C)CC1CCC1 2230a_200000750244_100011215430 [0,1,0,1,0,0|2,0,0]=4 6443 B14R1.1461 CC(C)OC(=O)CN(C)CC1CCC1 269982a_200000750244_100011215430 [0,1,0,1,0,0|2,0,0]=4 6444 B14R1.1461 CC(C)OC(=O)CN(C)CC1CCC1 34a_200000750244_100011215430 [0,1,0,1,0,0|2,0,0]=4 6445 B14R1.1462 CC(C)OC(=O)CC(=O)CCC1CC1 1458a_100000756386_100011215430 [0,1,0,1,0,0|0,0,2]=4 6446 B14R1.1678 CCC1CC1C(=O)CC(=O)OC(C)C 1458a_200011661523_100011215430 [0,1,0,1,0,0|0,0,2]=4 6447 B14R1.5978 CC(C)CC(=O)CC1CCCC(C1)C 1458a_100000748788_100000210624 [0,1,0,1,0,0|2,0,0]=4 6448 B14R1.5978 CC(C)OC(=O)CN1CCC[C@@H](C1)C 2230a_100000717927_100011215430 [0,1,0,1,0,0|2,0,0]=4 6449 B14R1.5978 CC(C)OC(=O)CN1CCC[C@@H](C1)C 269982a_100000717927_100011215430 [0,1,0,1,0,0|2,0,0]=4 6450 B14R1.5978 CC(C)OC(=O)CN1CCC[C@@H](C1)C 34a_100000717927_100011215430 [0,1,0,1,0,0|2,0,0]=4 6451 B14R1.5978 CC(O)CC(=O)CC1CCCC(C1)C 1458a_100000748788_100011218427 [0,1,0,1,0,0|2,0,0]=4 6452 B14R1.5978 CC1CCCC(C1)CC(=O)NC(C)C 11a_100138425928_100000748788 [0,1,0,1,0,0|2,0,0]=4 6453 B14R1.5978 CC1CCCC(C1)CC(=O)NC(C)C 1626a_100138425928_100000748788 [0,1,0,1,0,0|2,0,0]=4 6454 B14R1.5978 CC1CCCC(C1)CC(=O)NC(C)C 240690a_100138425928_100000748788 [0,1,0,1,0,0|2,0,0]=4 6455 B14R1.5978 CC1CCCC(C1)CC(=O)NC(C)C 527a_100138425928_100000748788 [0,1,0,1,0,0|2,0,0]=4 6456 B14R1.13081 CC(C)CC(=O)CC1CCCCCC1 1458a_100000210554_200000696569 [0,1,0,1,0,0|2,0,0]=4 6457 B14R1.13081 CC(C)CC(=O)CC1CCCCCC1 1458a_100000685095_100000210624 [0,1,0,1,0,0|2,0,0]=4 6458 B14R1.13081 CC(C)NC(=O)CC1CCCCCC1 11a_100138425928_100000685095 [0,1,0,1,0,0|2,0,0]=4 6459 B14R1.13081 CC(C)NC(=O)CC1CCCCCC1 1626a_100138425928_100000685095 [0,1,0,1,0,0|2,0,0]=4 6460 B14R1.13081 CC(C)NC(=O)CC1CCCCCC1 240690a_100138425928_100000685095 [0,1,0,1,0,0|2,0,0]=4 6461 B14R1.13081 CC(C)NC(=O)CC1CCCCCC1 527a_100138425928_100000685095 [0,1,0,1,0,0|2,0,0]=4 6462 B14R1.13081 CC(C)OC(=O)CN1CCCCCC1 2230a_100000185865_100011215430 [0,1,0,1,0,0|2,0,0]=4 6463 B14R1.13081 CC(C)OC(=O)CN1CCCCCC1 269982a_100000185865_100011215430 [0,1,0,1,0,0|2,0,0]=4 6464 B14R1.13081 CC(C)OC(=O)CN1CCCCCC1 34a_100000185865_100011215430 [0,1,0,1,0,0|2,0,0]=4 6465 B14R1.13081 CC(O)CC(=O)CC1CCCCCC1 1458a_100000685095_100011218427 [0,1,0,1,0,0|2,0,0]=4 6466 B14R1.13081 C[C@@H](O)CC(=O)CC1CCCCCC1 1458a_100011933948_200000696569 [0,1,0,1,0,0|2,0,0]=4 6467 B14R1.16633 C=C(C)CC(=O)CC1(CCCCC1)O 1458a_100000755886_100000748629 [0,1,0,1,0,0|1,0,1]=4 6468 B14R1.16633 CC(C)CC(=O)CC1(CCCCC1)O 1458a_100000755886_100000210624 [0,1,0,1,0,0|1,0,0]=3 6469 B14R1.16633 CC(C)NC(=O)CC1(CCCCC1)O 240690a_100138425928_100000755886 [0,1,0,1,0,0|1,0,0]=3 6470 B14R1.16633 CC(C)NC(=O)CC1(CCCCC1)O 527a_100138425928_100000755886 [0,1,0,1,0,0|1,0,0]=3 6471 B14R1.16633 CC(O)CC(=O)CC1(CCCCC1)O 1458a_100000755886_100011218427 [0,1,0,1,0,0|1,0,0]=3 6472 B14R1.16633 O=C(CC(F)F)CC1(CCCCC1)O 1458a_100000755886_100011934356 [0,1,0,1,0,0|2,0,0]=4 6473 B14R1.7221 CCOC(=O)CC(C)(C)OCC1CC1 7a_100000765344_100000742324 [0,1,0,1,0,0|2,0,0]=4 6474 B14R1.951 CCOC(=O)CN(CC)C1CCCC1 2230a_100000220607_100000179811 [0,1,0,1,0,0|2,0,0]=4 6475 B14R1.951 CCOC(=O)CN(CC)C1CCCC1 2230a_100025761507_100000210202 [0,1,0,1,0,0|2,0,0]=4 6476 B14R1.951 CCOC(=O)CN(CC)C1CCCC1 269982a_100000220607_100000179811 [0,1,0,1,0,0|2,0,0]=4 6477 B14R1.951 CCOC(=O)CN(CC)C1CCCC1 270004a_100000220607_100000210133 [0,1,0,1,0,0|2,0,0]=4 6478 B14R1.954 CCOC(=O)CC1CCC(CC1)NC 270004a_106832991635_100000101351 [0,1,0,1,0,0|2,0,0]=4 6479 B14R1.954 CCOC(=O)CC1CCC(CC1)OC 7a_100009875522_200000210301 [0,1,0,1,0,0|2,0,0]=4 6480 B14R1.954 CCOC(=O)CC1CCC(CC1)O[13CH3] 7a_100009875522_200025704644 [0,1,0,1,0,0|2,0,0]=4 6481 B14R1.954 CCOC(=O)CC1CCN(CC1)CC 2230a_100015189868_100000210202 [0,1,0,1,0,0|2,0,0]=4 6482 B14R1.954 CCOC(=O)CC1CCN(CC1)CC 269982a_100015189868_100000204670 [0,1,0,1,0,0|2,0,0]=4 6483 B14R1.954 CCOC(=O)CN1CCC(CC1)CC 2230a_100000754474_100000188475 [0,1,0,1,0,0|2,0,0]=4 6484 B14R1.954 CCOC(=O)CN1CCC(CC1)CC 269982a_100000754474_100000188475 [0,1,0,1,0,0|2,0,0]=4 6485 B14R1.954 CCOC(=O)CN1CCC(CC1)CC 34a_100000754474_100000188475 [0,1,0,1,0,0|2,0,0]=4 6486 B14R1.2623 CCOC(=O)CN(CC)CC1CCC1 2230a_100000220607_100000763275 [0,1,0,1,0,0|2,0,0]=4 6487 B14R1.2623 CCOC(=O)CN(CC)CC1CCC1 269982a_100000220607_100000763275 [0,1,0,1,0,0|2,0,0]=4 6488 B14R1.2624 CCOC(=O)CN(CC)CCC1CC1 2230a_100000220607_100000694398 [0,1,0,1,0,0|2,0,0]=4 6489 B14R1.2624 CCOC(=O)CN(CC)CCC1CC1 269982a_100000220607_100000694398 [0,1,0,1,0,0|2,0,0]=4 6490 B14R1.2624 CCOC(=O)C[C@@H](CCl)OCC1CC1 7a_100000688340_100000742324 [0,1,0,1,0,0|2,0,0]=4 6491 B14R1.19189 CCCC(=O)CC1(CCCCC1)C#N 1458a_100000211992_100011219015 [0,1,0,1,0,0|2,0,0]=4 6492 B14R1.19189 CCCC(=O)NC1(CCCCC1)CO 240690a_100000740034_100000211992 [0,1,0,1,0,0|2,0,0]=4 6493 B14R1.19189 CCCC(=O)NC1(CCCCC1)CO 527a_100000740034_100000211992 [0,1,0,1,0,0|2,0,0]=4 6494 B14R1.19189 CCNC(=O)NC1(CCCCC1)CO 2708a_100015525214_100000740034 [0,1,0,1,0,0|2,0,0]=4 6495 B14R1.19189 CCNC(=O)NC1(CCCCC1)CO 273464a_100000740034_100015525214 [0,1,0,1,0,0|2,0,0]=4 6496 B14R1.19189 CCNC(=O)NC1(CCCCC1)CO 273464a_100015525214_100000740034 [0,1,0,1,0,0|2,0,0]=4 6497 B14R1.19189 CCOC(=O)CC1(CCCCC1)OC 7a_100011667585_200000210301 [0,1,0,1,0,0|0,0,0]=2 6498 B14R1.19189 CCOC(=O)CC1(CCCCC1)O[13CH3] 7a_100011667585_200025704644 [0,1,0,1,0,0|0,0,0]=2 6499 B14R1.36 CCOC(=O)C(C)N1CCC[C@@H](C1)C 2230a_100000717927_100011215307 [0,1,0,1,0,0|2,0,0]=4 6500 B14R1.36 CCOC(=O)C(C)N1CCC[C@@H](C1)C 269982a_100000717927_100011216346 [0,1,0,1,0,0|2,0,0]=4 6501 B14R1.36 CCOC(=O)C(C)N1CCC[C@@H](C1)C 34a_100000717927_100011216346 [0,1,0,1,0,0|2,0,0]=4 6502 B14R1.36 CCOC(=O)C(F)N1CCC[C@@H](C1)C 2230a_100000717927_100000760018 [0,1,0,1,0,0|2,0,0]=4 6503 B14R1.36 CCOC(=O)C(F)N1CCC[C@@H](C1)C 269982a_100000717927_100000760018 [0,1,0,1,0,0|2,0,0]=4 6504 B14R1.36 CCOC(=O)C(F)N1CCC[C@@H](C1)C 34a_100000717927_100000760018 [0,1,0,1,0,0|2,0,0]=4 6505 B14R1.475 CCOC(=O)C(C)C(=O)C1CCCC1 1458a_100000210718_100011216346 [0,1,0,1,0,0|0,0,2]=4 6506 B14R1.475 CCOC(=O)C(C)C(=O)C1CCCC1 1458a_100132301724_100000179811 [0,1,0,1,0,0|0,0,2]=4 6507 B14R1.475 CCOC(=O)C(C)N(C)C1CCCC1 2230a_100000207505_100011215307 [0,1,0,1,0,0|2,0,0]=4 6508 B14R1.475 CCOC(=O)C(C)N(C)C1CCCC1 269982a_100000207505_100011216346 [0,1,0,1,0,0|2,0,0]=4 6509 B14R1.475 CCOC(=O)C(C)N(C)C1CCCC1 34a_100000207505_100011216346 [0,1,0,1,0,0|2,0,0]=4 6510 B14R1.475 CCOC(=O)C(F)C(=O)C1CCCC1 1458a_100000210718_100000760018 [0,1,0,1,0,0|0,0,2]=4 6511 B14R1.475 CCOC(=O)C(F)N(C)C1CCCC1 2230a_100000207505_100000760018 [0,1,0,1,0,0|2,0,0]=4 6512 B14R1.475 CCOC(=O)C(F)N(C)C1CCCC1 269982a_100000207505_100000760018 [0,1,0,1,0,0|2,0,0]=4 6513 B14R1.475 CCOC(=O)C(F)N(C)C1CCCC1 34a_100000207505_100000760018 [0,1,0,1,0,0|2,0,0]=4 6514 B14R1.6682 CCOC(=O)C(C)C(=O)C1CC1CC 1458a_200011661523_100011216346 [0,1,0,1,0,0|0,0,2]=4 6515 B14R1.6682 CCOC(=O)C(F)C(=O)C1CC1CC 1458a_200011661523_100000760018 [0,1,0,1,0,0|0,0,2]=4 6516 B14R1.6684 CCOC(=O)C(C)C(=O)CC1CCC1 1458a_100000763092_100011216346 [0,1,0,1,0,0|0,0,2]=4 6517 B14R1.6684 CCOC(=O)C(C)C(=O)CC1CCC1 1458a_100132301724_100000763275 [0,1,0,1,0,0|0,0,2]=4 6518 B14R1.6684 CCOC(=O)C(C)N(C)CC1CCC1 2230a_200000750244_100011215307 [0,1,0,1,0,0|2,0,0]=4 6519 B14R1.6684 CCOC(=O)C(C)N(C)CC1CCC1 269982a_200000750244_100011216346 [0,1,0,1,0,0|2,0,0]=4 6520 B14R1.6684 CCOC(=O)C(C)N(C)CC1CCC1 34a_200000750244_100011216346 [0,1,0,1,0,0|2,0,0]=4 6521 B14R1.6684 CCOC(=O)C(F)C(=O)CC1CCC1 1458a_100000763092_100000760018 [0,1,0,1,0,0|0,0,2]=4 6522 B14R1.6684 CCOC(=O)C(F)N(C)CC1CCC1 2230a_200000750244_100000760018 [0,1,0,1,0,0|2,0,0]=4 6523 B14R1.6684 CCOC(=O)C(F)N(C)CC1CCC1 269982a_200000750244_100000760018 [0,1,0,1,0,0|2,0,0]=4 6524 B14R1.6684 CCOC(=O)C(F)N(C)CC1CCC1 34a_200000750244_100000760018 [0,1,0,1,0,0|2,0,0]=4 6525 B14R1.6685 CCOC(=O)C(C)C(=O)CCC1CC1 1458a_100000756386_100011216346 [0,1,0,1,0,0|0,0,2]=4 6526 B14R1.6685 CCOC(=O)C(C)C(=O)CCC1CC1 1458a_100132301724_100000694398 [0,1,0,1,0,0|0,0,2]=4 6527 B14R1.6685 CCOC(=O)C(F)C(=O)CCC1CC1 1458a_100000756386_100000760018 [0,1,0,1,0,0|0,0,2]=4 6528 B14R1.10397 CCOC(=O)C(C)N1CCCCCC1 2230a_100000185865_100011215307 [0,1,0,1,0,0|2,0,0]=4 6529 B14R1.10397 CCOC(=O)C(C)N1CCCCCC1 269982a_100000185865_100011216346 [0,1,0,1,0,0|2,0,0]=4 6530 B14R1.10397 CCOC(=O)C(C)N1CCCCCC1 34a_100000185865_100011216346 [0,1,0,1,0,0|2,0,0]=4 6531 B14R1.10397 CCOC(=O)C(F)N1CCCCCC1 2230a_100000185865_100000760018 [0,1,0,1,0,0|2,0,0]=4 6532 B14R1.10397 CCOC(=O)C(F)N1CCCCCC1 269982a_100000185865_100000760018 [0,1,0,1,0,0|2,0,0]=4 6533 B14R1.10397 CCOC(=O)C(F)N1CCCCCC1 34a_100000185865_100000760018 [0,1,0,1,0,0|2,0,0]=4 6534 B14R1.135 CCC(C)C(=O)CC1CCCC(C1)C 1458a_100000748788_100000758301 [0,1,0,1,0,0|2,0,0]=4 6535 B14R1.135 CCN(C)C(=O)CC1CCCC(C1)C 11a_100000225621_100000748788 [0,1,0,1,0,0|2,0,0]=4 6536 B14R1.135 CCN(C)C(=O)CC1CCCC(C1)C 1626a_100000225621_100000748788 [0,1,0,1,0,0|2,0,0]=4 6537 B14R1.135 CCN(C)C(=O)CC1CCCC(C1)C 240690a_100000225621_100000748788 [0,1,0,1,0,0|2,0,0]=4 6538 B14R1.135 CCN(C)C(=O)CC1CCCC(C1)C 527a_100000225621_100000748788 [0,1,0,1,0,0|2,0,0]=4 6539 B14R1.2861 CCC(C)C(=O)CC1CCCCCC1 1458a_100000685095_100000758301 [0,1,0,1,0,0|2,0,0]=4 6540 B14R1.2861 CCC(C)C(=O)CC1CCCCCC1 1458a_100011192722_200000696569 [0,1,0,1,0,0|2,0,0]=4 6541 B14R1.2861 CCC(O)C(=O)CC1CCCCCC1 1458a_100011196387_200000696569 [0,1,0,1,0,0|2,0,0]=4 6542 B14R1.2861 CCN(C)C(=O)CC1CCCCCC1 11a_100000225621_100000685095 [0,1,0,1,0,0|2,0,0]=4 6543 B14R1.2861 CCN(C)C(=O)CC1CCCCCC1 1626a_100000225621_100000685095 [0,1,0,1,0,0|2,0,0]=4 6544 B14R1.2861 CCN(C)C(=O)CC1CCCCCC1 240690a_100000225621_100000685095 [0,1,0,1,0,0|2,0,0]=4 6545 B14R1.2861 CCN(C)C(=O)CC1CCCCCC1 527a_100000225621_100000685095 [0,1,0,1,0,0|2,0,0]=4 6546 B14R1.8756 CCC(C)C(=O)CC1(CCCCC1)O 1458a_100000755886_100000758301 [0,1,0,1,0,0|1,0,0]=3 6547 B14R1.8756 CCN(C)C(=O)CC1(CCCCC1)O 240690a_100000225621_100000755886 [0,1,0,1,0,0|1,0,0]=3 6548 B14R1.8756 CCN(C)C(=O)CC1(CCCCC1)O 527a_100000225621_100000755886 [0,1,0,1,0,0|1,0,0]=3 6549 B14R1.967 CCOC(=O)CN1CCC(C(C1)C)O 2230a_100011998114_100000188475 [0,1,0,1,0,0|2,0,0]=4 6550 B14R1.967 CCOC(=O)CN1CCC(C(C1)C)O 269982a_100011998114_100000188475 [0,1,0,1,0,0|2,0,0]=4 6551 B14R1.2691 CCOC(=O)CC(C)NCC1(CC1)C 2230a_100000766693_100009817359 [0,1,0,1,0,0|2,0,0]=4 6552 B14R1.2691 CCOC(=O)CC(C)NCC1(CC1)O 2230a_100011936951_100009817359 [0,1,0,1,0,0|2,0,0]=4 6553 B14R1.2691 CCOC(=O)CC(C)OCC1(CC1)C 7a_100000698024_100009817359 [0,1,0,1,0,0|2,0,0]=4 6554 B14R1.2691 CCOC(=O)CC(C)OCC1(CC1)F 7a_200000703853_100009817359 [0,1,0,1,0,0|2,0,0]=4 6555 B14R1.2691 CCOC(=O)C[C@H](O)COC1(CC1)C 7a_100011725673_100000688340 [0,1,0,1,0,0|1,0,0]=3 6556 B14R1.4461 CCC(C)CCC(=O)C1CCOC1=O 1458a_100000701222_100000211211 [0,1,0,1,0,0|0,0,2]=4 6557 B14R1.10079 CCOC(=O)CC(C)N1C[C@@H]([C@@H]1C)O 2230a_206633788156_100009817359 [0,1,0,1,0,0|2,0,0]=4 6558 B14R1.10079 CCOC(=O)CC(C)N1C[C@@H]([C@@H]1C)O 269982a_206633788156_100009817359 [0,1,0,1,0,0|2,0,0]=4 6559 B14R2.269 C[C@H]1CCCN(C1)C2CCOC2=O 2230a_100000717927_100000211211 [0,0,0,2,0,0|2,0,0]=4 6560 B14R2.269 C[C@H]1CCCN(C1)C2CCOC2=O 269982a_100000717927_100000211211 [0,0,0,2,0,0|2,0,0]=4 6561 B14R2.269 C[C@H]1CCCN(C1)C2CCOC2=O 34a_100000717927_100000211211 [0,0,0,2,0,0|2,0,0]=4 6562 B14R2.2711 CCCC(=O)CC1CC2CCC1C2 1458a_100000211222_100000210303 [0,0,0,2,0,0|2,0,0]=4 6563 B14R2.2711 CCNC(=O)CC1CC2CCC1C2 11a_100015525214_100000211222 [0,0,0,2,0,0|2,0,0]=4 6564 B14R2.2711 CCNC(=O)CC1CC2CCC1C2 240690a_100015525214_100000211222 [0,0,0,2,0,0|2,0,0]=4 6565 B14R2.2711 CCNC(=O)CC1CC2CCC1C2 527a_100015525214_100000211222 [0,0,0,2,0,0|2,0,0]=4 6566 B14R2.2711 CCOC(=O)CN1CC2CCC1C2 2230a_100000743476_100000188475 [0,0,0,2,0,0|2,0,0]=4 6567 B14R2.2711 CCOC(=O)CN1CC2CCC1C2 269982a_100000743476_100000188475 [0,0,0,2,0,0|2,0,0]=4 6568 B14R2.2711 CCOC(=O)CN1CC2CCC1C2 34a_100000743476_100000188475 [0,0,0,2,0,0|2,0,0]=4 6569 B14R2.308 CN(C1CCCC1)C2CCOC2=O 2230a_100000207505_100000211211 [0,0,0,2,0,0|2,0,0]=4 6570 B14R2.308 CN(C1CCCC1)C2CCOC2=O 269982a_100000207505_100000211211 [0,0,0,2,0,0|2,0,0]=4 6571 B14R2.308 CN(C1CCCC1)C2CCOC2=O 34a_100000207505_100000211211 [0,0,0,2,0,0|2,0,0]=4 6572 B14R2.308 O=C1OCCC1C(=O)C2CCCC2 1458a_100000210718_100000211211 [0,0,0,2,0,0|0,0,2]=4 6573 B14R2.12518 CCOC(=O)CN1CCC2(C1)CC2 2230a_100000697357_100000188475 [0,0,0,2,0,0|2,0,0]=4 6574 B14R2.12518 CCOC(=O)CN1CCC2(C1)CC2 269982a_100000697357_100000188475 [0,0,0,2,0,0|2,0,0]=4 6575 B14R2.12518 CCOC(=O)CN1CCC2(C1)CC2 34a_100000697357_100000188475 [0,0,0,2,0,0|2,0,0]=4 6576 B14R2.33733 CCOC(=O)[C@H]1[C@H]2[C@@H]1CN(C2)CC 2230a_100102947547_100000210202 [0,0,0,2,0,0|2,0,0]=4 6577 B14R2.33733 CCOC(=O)[C@H]1[C@H]2[C@@H]1CN(C2)CC 269982a_100102947547_100000204670 [0,0,0,2,0,0|2,0,0]=4 6578 B14R2.1997 CCC1CC1C(=O)C2CCOC2=O 1458a_200011661523_100000211211 [0,0,0,2,0,0|0,0,2]=4 6579 B14R2.5202 O=C1OCCC1N2CCCCCC2 2230a_100000185865_100000211211 [0,0,0,2,0,0|2,0,0]=4 6580 B14R2.5202 O=C1OCCC1N2CCCCCC2 269982a_100000185865_100000211211 [0,0,0,2,0,0|2,0,0]=4 6581 B14R2.5202 O=C1OCCC1N2CCCCCC2 34a_100000185865_100000211211 [0,0,0,2,0,0|2,0,0]=4 6582 B14R2.5218 O=C(CCC1CC1)C2CCOC2=O 1458a_100000756386_100000211211 [0,0,0,2,0,0|0,0,2]=4 6583 B14R2.21853 CN(CC1CCC1)C2CCOC2=O 2230a_200000750244_100000211211 [0,0,0,2,0,0|2,0,0]=4 6584 B14R2.21853 CN(CC1CCC1)C2CCOC2=O 269982a_200000750244_100000211211 [0,0,0,2,0,0|2,0,0]=4 6585 B14R2.21853 CN(CC1CCC1)C2CCOC2=O 34a_200000750244_100000211211 [0,0,0,2,0,0|2,0,0]=4 6586 B14R2.21853 O=C(CC1CCC1)C2CCOC2=O 1458a_100000763092_100000211211 [0,0,0,2,0,0|0,0,2]=4 6587 B14R2.31843 O=C(CC1CCCCCC1)C2CC2 1458a_100000210395_200000696569 [0,0,0,2,0,0|2,0,0]=4 6588 B14R2.33795 CCOC(=O)CN1CC2(C1)CCC2 2230a_100000690493_100000188475 [0,0,0,2,0,0|2,0,0]=4 6589 B14R2.33795 CCOC(=O)CN1CC2(C1)CCC2 269982a_100000690493_100000188475 [0,0,0,2,0,0|2,0,0]=4 6590 B14R2.33795 CCOC(=O)CN1CC2(C1)CCC2 34a_100000690493_100000188475 [0,0,0,2,0,0|2,0,0]=4 6591 B10R0.19 CCCC(=O)C(O)CCSC 1458a_100000685904_100000210303 [1,0,0,0,1,0|2,0,0]=4 6592 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000211992_200011215066 [1,0,0,0,1,0|2,0,0]=4 6593 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000725509_100000210303 [1,0,0,0,1,0|2,0,0]=4 6594 B10R0.19 CCCCC(C)C(=O)NCC 11a_100015525214_100000725509 [1,0,0,0,1,0|2,0,0]=4 6595 B10R0.19 CCCCC(C)C(=O)NCC 240690a_100015525214_100000725509 [1,0,0,0,1,0|2,0,0]=4 6596 B10R0.19 CCCCC(C)C(=O)NCC 527a_100015525214_100000725509 [1,0,0,0,1,0|2,0,0]=4 6597 B10R0.19 CCCCC(O)C(=O)CCC 1458a_100000720857_100000210303 [1,0,0,0,1,0|1,0,0]=3 6598 B10R0.19 CCCCC(O)C(=O)CCF 1458a_100000720857_100011217306 [1,0,0,0,1,0|2,0,0]=4 6599 B10R0.19 CCCCC(O)C(=O)CCO 1458a_100000720857_100000211926 [1,0,0,0,1,0|2,0,0]=4 6600 B10R0.19 CCCCC(O)C(=O)NCC 240690a_100015525214_100000720857 [1,0,0,0,1,0|1,0,0]=3 6601 B10R0.19 CCCCC(O)C(=O)NCC 527a_100015525214_100000720857 [1,0,0,0,1,0|1,0,0]=3 6602 B10R0.19 CCCCC(O)C(=O)NNC 22a_100016993582_100000720857 [1,0,0,0,1,0|2,0,0]=4 6603 B10R0.19 CCCOC(C)C(=O)OCC 34a_100000210258_100011216346 [1,0,0,0,1,0|2,0,0]=4 6604 B10R0.19 CCCOC(F)C(=O)OCC 34a_100000210258_100000760018 [1,0,0,0,1,0|2,0,0]=4 6605 B10R0.19 CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210303 [1,0,0,0,1,0|2,0,0]=4 6606 B10R0.19 CCCSC(C)C(=O)OCC 62a_100000210303_100011216346 [1,0,0,0,1,0|2,0,0]=4 6607 B10R0.19 CCCSC(C)C(=O)OCC 62a_100011216346_100000210303 [1,0,0,0,1,0|2,0,0]=4 6608 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000210303_100000760018 [1,0,0,0,1,0|2,0,0]=4 6609 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000760018_100000210303 [1,0,0,0,1,0|2,0,0]=4 6610 B10R0.19 CCNC(=O)C(O)CCSC 240690a_100015525214_100000685904 [1,0,0,0,1,0|2,0,0]=4 6611 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [1,0,0,0,1,0|1,0,0]=3 6612 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [1,0,0,0,1,0|1,0,0]=3 6613 B10R0.83 CCCCCC(C)C(=O)CF 1458a_100011215998_100015361967 [1,0,0,0,1,0|2,0,0]=4 6614 B10R0.83 CCCCCC(C)C(=O)CO 1458a_100000210174_200011218191 [1,0,0,0,1,0|2,0,0]=4 6615 B10R0.83 CCCCCC(C)C(=O)NC 11a_106832991635_100011215998 [1,0,0,0,1,0|2,0,0]=4 6616 B10R0.83 CCCCCC(C)C(=O)NC 1626a_100102657272_100011215998 [1,0,0,0,1,0|2,0,0]=4 6617 B10R0.83 CCCCCC(C)C(=O)NC 240690a_100102657272_100011215998 [1,0,0,0,1,0|2,0,0]=4 6618 B10R0.83 CCCCCC(C)C(=O)NC 527a_100102657272_100011215998 [1,0,0,0,1,0|2,0,0]=4 6619 B10R0.83 CCCCCN(C)C(=O)CC 11a_100000223495_100000210414 [1,0,0,0,1,0|2,0,0]=4 6620 B10R0.83 CCCCCN(C)C(=O)CC 1626a_100000223495_100000210414 [1,0,0,0,1,0|2,0,0]=4 6621 B10R0.83 CCCCCN(C)C(=O)CC 240690a_100000223495_100000210414 [1,0,0,0,1,0|2,0,0]=4 6622 B10R0.83 CCCCCN(C)C(=O)CC 527a_100000223495_100000210414 [1,0,0,0,1,0|2,0,0]=4 6623 B10R0.83 CCCCNC(C)C(=O)CC 2230a_100000102301_100000742827 [1,0,0,0,1,0|2,0,0]=4 6624 B10R0.83 CCCCNC(C)C(=O)CC 7a_106832991798_100000742827 [1,0,0,0,1,0|2,0,0]=4 6625 B10R0.83 CCCCNC(C)C(=O)OC 2230a_100000102301_100000211248 [1,0,0,0,1,0|2,0,0]=4 6626 B10R0.83 CCCCNC(C)C(=O)OC 7a_106832991798_100000211248 [1,0,0,0,1,0|2,0,0]=4 6627 B10R0.83 CCCCOC(C)C(=O)CC 7a_100000210227_100000742827 [1,0,0,0,1,0|2,0,0]=4 6628 B10R0.83 CCCCOC(C)C(=O)OC 34a_100000210227_100000211248 [1,0,0,0,1,0|2,0,0]=4 6629 B10R0.83 CCCCOC(C)C(=O)OC 34a_100011215400_100000210210 [1,0,0,0,1,0|2,0,0]=4 6630 B10R0.83 CCCCOC(C)C(=O)OC 7a_100000210227_100000211248 [1,0,0,0,1,0|2,0,0]=4 6631 B10R0.83 CCCCSC(C)C(=O)CC 1458a_100000191163_100000210202 [1,0,0,0,1,0|2,0,0]=4 6632 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000210211_100000742827 [1,0,0,0,1,0|2,0,0]=4 6633 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000742827_100000210210 [1,0,0,0,1,0|2,0,0]=4 6634 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000210211_100000211248 [1,0,0,0,1,0|2,0,0]=4 6635 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000211248_100000210210 [1,0,0,0,1,0|2,0,0]=4 6636 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000210258_100000698445 [1,0,0,0,1,0|2,0,0]=4 6637 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000749362_100000210303 [1,0,0,0,1,0|2,0,0]=4 6638 B10R0.83 CCCOCC(C)C(=O)OC 7a_100000749362_100000210303 [1,0,0,0,1,0|2,0,0]=4 6639 B10R0.83 CCCOCC(F)C(=O)OC 34a_200009849844_100000210303 [1,0,0,0,1,0|2,0,0]=4 6640 B10R0.83 CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210303 [1,0,0,0,1,0|2,0,0]=4 6641 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000210303_100000698445 [1,0,0,0,1,0|2,0,0]=4 6642 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000698445_100000210303 [1,0,0,0,1,0|2,0,0]=4 6643 B10R0.83 CCNCCC(C)C(=O)OC 2230a_100015525214_100000034942 [1,0,0,0,1,0|2,0,0]=4 6644 B10R0.83 CCOCCC(C)C(=O)OC 34a_100121572206_100000034942 [1,0,0,0,1,0|2,0,0]=4 6645 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000034942_100000210202 [1,0,0,0,1,0|2,0,0]=4 6646 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000210202_100000034942 [1,0,0,0,1,0|2,0,0]=4 6647 B14R0.2432 CCCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210326 [0,0,0,0,0,2|0,0,2]=4 6648 B14R0.2432 CCCCCC(=O)CCCC(=O)OCC 1458a_100000212188_100011215271 [0,0,0,0,0,2|0,0,2]=4 6649 B14R0.2432 CCCCCC(=O)CCNC(=O)OCC 1458a_100000212188_200011445536 [0,0,0,0,0,2|0,0,2]=4 6650 B14R0.2432 CCCCCC(=O)CSCC(=O)OCC 62a_100000188475_200012276598 [0,0,0,0,0,2|0,0,2]=4 6651 B14R0.2432 CCCCCC(=O)CSCC(=O)OCC 62a_200012276598_100000188475 [0,0,0,0,0,2|0,0,2]=4 6652 B14R0.2432 CCCCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000212188 [0,0,0,0,0,2|0,0,2]=4 6653 B14R0.2432 CCCCCC(C)NCCC(=O)NCC 2230a_100000211957_100000737597 [0,0,0,0,0,2|2,0,0]=4 6654 B14R0.2432 CCCCCC(C)NCCC(=O)NCC 270004a_100025743525_100000211708 [0,0,0,0,0,2|2,0,0]=4 6655 B14R0.2432 CCCCCC(C)NCCC(=O)NCC 34a_100025743525_200011218191 [0,0,0,0,0,2|2,0,0]=4 6656 B14R0.2432 CCCCCC(C)NCCC(=O)OCC 2230a_100000211957_100011206558 [0,0,0,0,0,2|1,0,0]=3 6657 B14R0.2432 CCCCCC(C)NCOC(=O)CCC 2230a_100000211957_100000034017 [0,0,0,0,0,2|2,0,0]=4 6658 B14R0.2432 CCCCCC(C)OCCC(=O)NCC 7a_100011215632_100000737597 [0,0,0,0,0,2|2,0,0]=4 6659 B14R0.2432 CCCCCC(C)OCCC(=O)OCC 34a_100011215632_100000765890 [0,0,0,0,0,2|1,0,0]=3 6660 B14R0.2432 CCCCCC(C)OCCC(=O)OCC 7a_100011215632_100011206558 [0,0,0,0,0,2|1,0,0]=3 6661 B14R0.2432 CCCCCC(C)OCOC(=O)CCC 34a_100011215632_100000034017 [0,0,0,0,0,2|2,0,0]=4 6662 B14R0.2432 CCCCCC(C)SCCC(=O)NCC 62a_100000737597_200011218191 [0,0,0,0,0,2|2,0,0]=4 6663 B14R0.2432 CCCCCC(C)SCCC(=O)NCC 62a_200011218191_100000737597 [0,0,0,0,0,2|2,0,0]=4 6664 B14R0.2432 CCCCCC(C)SCCC(=O)OCC 62a_100000765890_200011218191 [0,0,0,0,0,2|1,0,0]=3 6665 B14R0.2432 CCCCCC(C)SCCC(=O)OCC 62a_200011218191_100000765890 [0,0,0,0,0,2|1,0,0]=3 6666 B14R0.2432 CCCCCC(C)SCOC(=O)CCC 62a_200011218191_100000034017 [0,0,0,0,0,2|2,0,0]=4 6667 B14R0.2432 CCCCCC(C)SCOC(=O)OCC 62a_200011218191_100000075025 [0,0,0,0,0,2|1,0,0]=3 6668 B14R0.2432 CCCCCC(O)CCCC(=O)NCC 240690a_100015525214_100020618878 [0,0,0,0,0,2|1,0,0]=3 6669 B14R0.2432 CCCCCC(O)CCCC(=O)NCC 527a_100015525214_100020618878 [0,0,0,0,0,2|1,0,0]=3 6670 B14R0.2432 CCCCCC(O)CCCC(=O)NNC 22a_100016993582_100020618878 [0,0,0,0,0,2|2,0,0]=4 6671 B14R0.2432 CCCCCN(C)C/C=C/C(=O)OCC 2230a_100000223495_100016267167 [0,0,0,0,0,2|2,0,0]=4 6672 B14R0.2432 CCCCCN(C)C/C=C/C(=O)OCC 269982a_100000223495_100016267167 [0,0,0,0,0,2|2,0,0]=4 6673 B14R0.2432 CCCCCN(C)CCCC(=O)OCC 2230a_100000223495_100009991533 [0,0,0,0,0,2|2,0,0]=4 6674 B14R0.2432 CCCCCN(C)CCCC(=O)OCC 269982a_100000223495_100009991533 [0,0,0,0,0,2|2,0,0]=4 6675 B14R0.2432 CCCCCN(C)CCNC(=O)OCC 269982a_100000223495_200011445536 [0,0,0,0,0,2|2,0,0]=4 6676 B14R0.2432 CCOC(=O)CCOC(C)CCCOC 34a_200011539412_100000765890 [0,0,0,0,0,2|2,0,0]=4 6677 B14R0.2432 CCOC(=O)CCOC(C)CCCOC 7a_200011539412_100011206558 [0,0,0,0,0,2|2,0,0]=4 6678 B14R0.2432 CCOC(=O)COC[C@@H](N)CCCCN 34a_100016993712_100000188475 [0,0,0,0,0,2|2,0,0]=4